*HEADER    PEPTIDE BINDING/SIGNALING PROTEIN       26-FEB-02   1L2Z              
*TITLE     CD2BP2-GYF DOMAIN IN COMPLEX WITH PROLINE-RICH CD2 TAIL               
*TITLE    2 SEGMENT PEPTIDE                                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CD2 ANTIGEN (CYTOPLASMIC TAIL)-BINDING PROTEIN 2;          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUE 1-62;                                              
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: T-CELL SURFACE ANTIGEN CD2;                                
*COMPND   8 CHAIN: B;                                                            
*COMPND   9 FRAGMENT: RESIDUE 63-73;                                             
*COMPND  10 SYNONYM: T-CELL SURFACE ANTIGEN T11/LEU-5, LFA-2, LFA-3              
*COMPND  11 RECEPTOR, ERYTHROCYTE RECEPTOR, ROSETTE RECEPTOR;                    
*COMPND  12 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: CD2BP2 (AMINO ACIDS 280-341);                                  
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PTFT74;                                   
*SOURCE  10 MOL_ID: 2;                                                           
*SOURCE  11 SYNTHETIC: YES;                                                      
*SOURCE  12 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE  13 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN HOMO SAPIENS           
*SOURCE  14 (HUMAN).                                                             
*KEYWDS    GYF DOMAIN, PROTEIN-PROTEIN INTERACTION, PROLINE-RICH                 
*KEYWDS   2 PEPTIDE, CD2, CD2BP2                                                 
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    C.FREUND, R.KUHNE, H.YANG, S.PARK, E.L.REINHERZ, G.WAGNER             
*REVDAT   1   20-NOV-02 1L2Z    0                                                
assi ( resi  65 and name HN    ) ( resi  65 and name HB*    ) 0.00 0.00 5.0
assi ( resi  65 and name HN    ) ( resi  65 and name HG*    ) 0.00 0.00 5.0
assi ( resi  65 and name HN    ) ( resi  65 and name HD*    ) 0.00 0.00 6.0
assi ( resi  69 and name HA    ) ( resi  70 and name HN   ) 0.00 0.00 2.5
assi ( resi  70 and name HN    ) ( resi  70 and name HA1  ) 0.00 0.00 3.0
assi ( resi  70 and name HN    ) ( resi  70 and name HA2  ) 0.00 0.00 3.0
assi ( resi  70 and name HN    ) ( resi  71 and name HN   ) 0.00 0.00 5.0
assi ( resi  69 and name HB1   ) ( resi  70 and name HN   ) 0.00 0.00 4.0
assi ( resi  69 and name HB2   ) ( resi  70 and name HN   ) 0.00 0.00 4.0
assi ( resi  69 and name HG*   ) ( resi  70 and name HN   ) 0.00 0.00 6.0
assi ( resi  70 and name HA1   ) ( resi  71 and name HN   ) 0.00 0.00 5.0
assi ( resi  70 and name HA2   ) ( resi  71 and name HN   ) 0.00 0.00 5.0
assi ( resi  71 and name HA    ) ( resi  72 and name HN    ) 0.00 0.00 3.0
assi ( resi  71 and name HB1   ) ( resi  72 and name HN    ) 0.00 0.00 5.0
assi ( resi  71 and name HB2   ) ( resi  72 and name HN    ) 0.00 0.00 5.0
assi ( resi  71 and name HN    ) ( resi  71 and name HB1   ) 0.00 0.00 4.0
assi ( resi  71 and name HN    ) ( resi  71 and name HB2   ) 0.00 0.00 4.0
assi ( resi  71 and name HN    ) ( resi  72 and name HN    ) 0.00 0.00 5.0
assi ( resi  72 and name HN    ) ( resi  72 and name HB*    ) 0.00 0.00 5.0
assi ( resi  72 and name HN    ) ( resi  72 and name HG*    ) 0.00 0.00 5.0
assi ( resi  72 and name HN    ) ( resi  72 and name HA    ) 0.00 0.00 4.0
assi ( resi  72 and name HA    ) ( resi  73 and name HN    ) 0.00 0.00 2.5
assi ( resi  69 and name HA    ) ( resi  70 and name HA1  ) 0.00 0.00 6.0
assi ( resi  69 and name HA    ) ( resi  70 and name HA2  ) 0.00 0.00 6.0
assi ( resi  69 and name HB*   ) ( resi  70 and name HA1  ) 0.00 0.00 6.0
assi ( resi  69 and name HG*   ) ( resi  70 and name HA1  ) 0.00 0.00 6.0
assi ( resi  69 and name HB*   ) ( resi  70 and name HA2  ) 0.00 0.00 6.0
assi ( resi  69 and name HG*   ) ( resi  70 and name HA2  ) 0.00 0.00 6.0
assi ( resi  66 and name HA    ) ( resi  67 and name HD1  ) 0.00 0.00 3.00
assi ( resi  66 and name HA    ) ( resi  67 and name HD2  ) 0.00 0.00 3.00
assi ( resi  67 and name HD1   ) ( resi  66 and name HB*  ) 0.00 0.00 3.0
assi ( resi  67 and name HD2   ) ( resi  66 and name HB*  ) 0.00 0.00 3.0
assi ( resi  65 and name HA    ) ( resi  66 and name HD1  ) 0.00 0.00 2.5
assi ( resi  65 and name HA    ) ( resi  66 and name HD2  ) 0.00 0.00 2.5
assi ( resi  65 and name HA    ) ( resi  66 and name HB*  ) 0.00 0.00 6.0
assi ( resi  65 and name HA    ) ( resi  66 and name HG1  ) 0.00 0.00 5.0
assi ( resi  65 and name HA    ) ( resi  66 and name HG2  ) 0.00 0.00 5.0
assi ( resi  65 and name HB*   ) ( resi  66 and name HD*  ) 0.00 0.00 4.0
assi ( resi  65 and name HG*   ) ( resi  66 and name HD*  ) 0.00 0.00 4.0
assi ( resi  67 and name HB*   ) ( resi  71 and name HD1   ) 0.00 0.00 6.0
assi ( resi  67 and name HG*   ) ( resi  71 and name HD1   ) 0.00 0.00 6.0
assi ( resi  71 and name HD1   ) ( resi  69 and name HA   ) 0.00 0.00 6.0
assi ( resi  71 and name HD1   ) ( resi  72 and name HA   ) 0.00 0.00 6.0
assi ( resi  71 and name HD1   ) ( resi  73 and (name HG1* or name HG2*)) 0.00 0.00 7.0
assi ( resi  71 and name HD1   ) ( resi  70 and name HA*   ) 0.00 0.00 6.0
assi ( resi  71 and name HD1   ) ( resi  71 and name HB1   ) 0.00 0.00 3.0
assi ( resi  71 and name HD1   ) ( resi  71 and name HB2   ) 0.00 0.00 3.0
assi ( resi  71 and name HD2   ) ( resi  73 and (name HG1* or name HG2*)) 0.00 0.00 5.0
assi ( resi  71 and name HD2   ) ( resi  73 and name HA    ) 0.00 0.00 6.0
assi ( resi   6 and name HE*   ) ( resi  69 and name HG*   ) 0.00 0.00 6.0
assi ( resi   6 and name HE*   ) ( resi  69 and name HD*   ) 0.00 0.00 6.0
assi ( resi   8 and name HE3   ) ( resi  72 and name HD*   ) 0.00 0.00 6.0
assi ( resi   8 and name HE1   ) ( resi  70 and name HA1   ) 0.00 0.00 5.00
assi ( resi   8 and name HE1   ) ( resi  70 and name HA2   ) 0.00 0.00 5.00
assi ( resi   8 and name HD1   ) ( resi  70 and name HA*   ) 0.00 0.00 4.0
assi ( resi  17 and name HD*   ) ( resi  69 and name HA    ) 0.00 0.00 6.0
assi ( resi  17 and name HE*   ) ( resi  69 and name HB1   ) 0.00 0.00 4.0
assi ( resi  17 and name HE*   ) ( resi  69 and name HB2   ) 0.00 0.00 4.0
assi ( resi  17 and name HE*   ) ( resi  69 and name HG1   ) 0.00 0.00 6.0
assi ( resi  17 and name HE*   ) ( resi  69 and name HG2   ) 0.00 0.00 6.0
assi ( resi  17 and (name HD* or name HE* )) ( resi  70 and name HN    ) 0.00 0.00 4.0
assi ( resi  17 and name HE*   ) ( resi  70 and name HA1   ) 0.00 0.00 5.0
assi ( resi  17 and name HE*   ) ( resi  70 and name HA2   ) 0.00 0.00 5.0
assi ( resi  17 and name HD*   ) ( resi  69 and name HG1   ) 0.00 0.00 5.0
assi ( resi  17 and name HD*   ) ( resi  69 and name HG2   ) 0.00 0.00 5.0
assi ( resi  17 and name HD*   ) ( resi  69 and name HB1   ) 0.00 0.00 4.0
assi ( resi  17 and name HD*   ) ( resi  69 and name HB2   ) 0.00 0.00 4.0
assi ( resi  20 and name HE*   ) ( resi  69 and name HG1   ) 0.00 0.00 4.0
assi ( resi  20 and name HE*   ) ( resi  69 and name HG2   ) 0.00 0.00 4.0
assi ( resi  20 and name HE*   ) ( resi  69 and name HD1   ) 0.00 0.00 5.0
assi ( resi  20 and name HE*   ) ( resi  69 and name HD2   ) 0.00 0.00 5.0
assi ( resi  20 and name HE*   ) ( resi  69 and name HB*   ) 0.00 0.00 6.0
assi ( resi  28 and name HZ3   ) ( resi  69 and name HD1   ) 0.00 0.00 5.0
assi ( resi  28 and name HZ3   ) ( resi  69 and name HD2   ) 0.00 0.00 5.0
assi ( resi  28 and name HH2   ) ( resi  69 and name HD1   ) 0.00 0.00 6.0
assi ( resi  28 and name HH2   ) ( resi  69 and name HD2   ) 0.00 0.00 6.0
assi ( resi  28 and name HE1   ) ( resi  66 and name HA   ) 0.00 0.00 5.0
assi ( resi  28 and name HE1   ) (( resi  66 and name HD1) or (resi  67 and name HD1)) 0.00 0.00 5.0
assi ( resi  28 and name HE1   ) (( resi  66 and name HD2) or (resi  67 and name HD2)) 0.00 0.00 5.0
assi ( resi  28 and name HE1   ) ( resi  65 and name HG*   ) 0.00 0.00 4.0
assi ( resi  28 and name HE1   ) ( resi  65 and name HD*   ) 0.00 0.00 4.0
assi ( resi  28 and name HE1   ) ( resi  24 and name HE21  ) 0.00 0.00 4.0
assi ( resi  28 and name HE1   ) ( resi  24 and name HE22  ) 0.00 0.00 5.0 
assi ( resi  33 and name HE*   ) ( resi  65 and name HD*   ) 0.00 0.00 7.0
assi ( resi  33 and name HE*   ) ( resi  65 and name HG*   ) 0.00 0.00 7.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ASP   1          1HT       ASP   1  -4.926  15.994  -0.646
    2   2H    ASP   1          2HT       ASP   1  -5.712  15.192   0.652
    3   3H    ASP   1          3HT       ASP   1  -6.418  15.196  -0.912
    4    HA   ASP   1           HA       ASP   1  -4.676  13.889  -1.776
    5   1HB   ASP   1          2HB       ASP   1  -2.919  13.048  -0.202
    6   2HB   ASP   1          1HB       ASP   1  -2.843  14.784  -0.484
    7    H    VAL   2           H        VAL   2  -4.111  11.511  -0.873
    8    HA   VAL   2           HA       VAL   2  -6.143  10.470   0.884
    9    HB   VAL   2           HB       VAL   2  -6.078   9.535  -1.988
   10   1HG1  VAL   2          1HG1      VAL   2  -7.485   7.867  -1.422
   11   2HG1  VAL   2          2HG1      VAL   2  -8.326   8.842  -0.217
   12   3HG1  VAL   2          3HG1      VAL   2  -6.784   8.086   0.182
   13   1HG2  VAL   2          1HG2      VAL   2  -8.065  11.278  -0.540
   14   2HG2  VAL   2          2HG2      VAL   2  -8.375  10.506  -2.094
   15   3HG2  VAL   2          3HG2      VAL   2  -7.088  11.703  -1.946
   16    H    MET   3           H        MET   3  -4.873   9.298   2.173
   17    HA   MET   3           HA       MET   3  -2.519   7.959   1.208
   18   1HB   MET   3          2HB       MET   3  -3.880   7.913   3.905
   19   2HB   MET   3          1HB       MET   3  -2.336   7.149   3.556
   20   1HG   MET   3          2HG       MET   3  -1.245   9.182   3.299
   21   2HG   MET   3          1HG       MET   3  -2.750  10.067   3.052
   22   1HE   MET   3          1HE       MET   3  -0.772  11.267   4.491
   23   2HE   MET   3          2HE       MET   3  -0.082  10.346   5.827
   24   3HE   MET   3          3HE       MET   3  -1.229  11.646   6.152
   25    H    TRP   4           H        TRP   4  -2.132   5.636   1.570
   26    HA   TRP   4           HA       TRP   4  -4.537   3.976   1.587
   27   1HB   TRP   4          2HB       TRP   4  -2.534   4.056  -0.667
   28   2HB   TRP   4          1HB       TRP   4  -3.633   2.704  -0.408
   29    HD1  TRP   4           HD       TRP   4  -3.789   6.504  -1.128
   30    HE1  TRP   4           1HE      TRP   4  -5.947   6.973  -2.449
   31    HE3  TRP   4           3HE      TRP   4  -5.817   1.816  -1.050
   32    HZ2  TRP   4           2HZ      TRP   4  -8.214   5.542  -3.338
   33    HZ3  TRP   4           3HZ      TRP   4  -7.981   1.450  -2.153
   34    HH2  TRP   4           HH       TRP   4  -9.154   3.273  -3.276
   35    H    GLU   5           H        GLU   5  -4.218   2.471   3.059
   36    HA   GLU   5           HA       GLU   5  -1.663   1.786   4.089
   37   1HB   GLU   5          2HB       GLU   5  -4.436   1.178   4.672
   38   2HB   GLU   5          1HB       GLU   5  -3.429  -0.256   4.818
   39   1HG   GLU   5          2HG       GLU   5  -2.394   0.496   6.657
   40   2HG   GLU   5          1HG       GLU   5  -2.337   2.159   6.074
   41    H    TYR   6           H        TYR   6  -0.872  -0.514   4.183
   42    HA   TYR   6           HA       TYR   6  -1.608  -2.208   1.966
   43   1HB   TYR   6          2HB       TYR   6   0.315  -2.105   0.693
   44   2HB   TYR   6          1HB       TYR   6   0.144  -0.426   1.181
   45    HD1  TYR   6           1HD      TYR   6   1.868   0.655   2.382
   46    HD2  TYR   6           2HD      TYR   6   1.938  -3.577   1.961
   47    HE1  TYR   6           1HE      TYR   6   4.148   0.606   3.304
   48    HE2  TYR   6           2HE      TYR   6   4.216  -3.638   2.883
   49    HH   TYR   6           HH       TYR   6   6.197  -1.911   3.011
   50    H    LYS   7           H        LYS   7  -1.320  -4.294   2.433
   51    HA   LYS   7           HA       LYS   7   0.425  -4.982   4.697
   52   1HB   LYS   7          2HB       LYS   7  -1.897  -5.111   5.420
   53   2HB   LYS   7          1HB       LYS   7  -2.296  -6.129   4.043
   54   1HG   LYS   7          2HG       LYS   7  -0.582  -7.771   4.986
   55   2HG   LYS   7          1HG       LYS   7  -0.667  -6.811   6.464
   56   1HD   LYS   7          2HD       LYS   7  -3.219  -7.702   5.226
   57   2HD   LYS   7          1HD       LYS   7  -2.239  -8.906   6.067
   58   1HE   LYS   7          2HE       LYS   7  -2.762  -8.080   8.079
   59   2HE   LYS   7          1HE       LYS   7  -2.517  -6.416   7.555
   60   1HZ   LYS   7          1HZ       LYS   7  -4.780  -6.931   6.313
   61   2HZ   LYS   7          2HZ       LYS   7  -4.737  -6.355   7.902
   62   3HZ   LYS   7          3HZ       LYS   7  -4.961  -8.005   7.608
   63    H    TRP   8           H        TRP   8   1.933  -6.442   4.228
   64    HA   TRP   8           HA       TRP   8   2.349  -7.459   1.675
   65   1HB   TRP   8          2HB       TRP   8   3.399  -8.313   4.367
   66   2HB   TRP   8          1HB       TRP   8   3.922  -9.083   2.873
   67    HD1  TRP   8           HD       TRP   8   4.964  -6.453   5.138
   68    HE1  TRP   8           1HE      TRP   8   6.593  -4.817   4.005
   69    HE3  TRP   8           3HE      TRP   8   4.180  -7.767   0.257
   70    HZ2  TRP   8           2HZ      TRP   8   7.438  -4.167   1.394
   71    HZ3  TRP   8           3HZ      TRP   8   5.441  -6.587  -1.497
   72    HH2  TRP   8           HH       TRP   8   7.036  -4.825  -0.938
   73    H    GLU   9           H        GLU   9   0.943  -9.055   4.519
   74    HA   GLU   9           HA       GLU   9   0.166 -11.319   2.822
   75   1HB   GLU   9          2HB       GLU   9   0.710 -10.965   5.709
   76   2HB   GLU   9          1HB       GLU   9  -0.595 -12.074   5.306
   77   1HG   GLU   9          2HG       GLU   9   1.299 -13.419   5.449
   78   2HG   GLU   9          1HG       GLU   9   1.058 -13.180   3.718
   79    H    ASN  10           H        ASN  10  -2.027 -12.317   3.871
   80    HA   ASN  10           HA       ASN  10  -3.996 -10.124   3.817
   81   1HB   ASN  10          2HB       ASN  10  -5.547 -11.852   2.776
   82   2HB   ASN  10          1HB       ASN  10  -4.235 -11.272   1.754
   83   1HD2  ASN  10          1HD2      ASN  10  -5.038 -13.868   4.023
   84   2HD2  ASN  10          2HD2      ASN  10  -4.156 -15.099   3.193
   85    H    THR  11           H        THR  11  -2.851 -11.109   6.191
   86    HA   THR  11           HA       THR  11  -5.041 -12.681   7.365
   87    HB   THR  11           HB       THR  11  -3.555 -13.553   8.929
   88    HG1  THR  11           1HG      THR  11  -1.533 -11.699   8.308
   89   1HG2  THR  11          1HG2      THR  11  -2.804 -13.795   6.314
   90   2HG2  THR  11          2HG2      THR  11  -2.151 -14.718   7.668
   91   3HG2  THR  11          3HG2      THR  11  -1.316 -13.270   7.103
   92    H    GLY  12           H        GLY  12  -5.506 -12.157   9.689
   93   1HA   GLY  12          2HA       GLY  12  -5.975  -9.309   9.913
   94   2HA   GLY  12          1HA       GLY  12  -6.561 -10.554  11.006
   95    H    ASP  13           H        ASP  13  -3.408 -11.260  10.691
   96    HA   ASP  13           HA       ASP  13  -2.675  -9.628  13.026
   97   1HB   ASP  13          2HB       ASP  13  -1.594 -12.319  12.161
   98   2HB   ASP  13          1HB       ASP  13  -1.092 -11.426  13.593
   99    H    ALA  14           H        ALA  14  -1.807 -10.513   9.781
  100    HA   ALA  14           HA       ALA  14   0.848 -10.015   9.546
  101   1HB   ALA  14          1HB       ALA  14   0.009 -10.490   7.506
  102   2HB   ALA  14          2HB       ALA  14   0.016  -8.736   7.334
  103   3HB   ALA  14          3HB       ALA  14  -1.472  -9.573   7.779
  104    H    GLU  15           H        GLU  15   2.014  -8.081   8.730
  105    HA   GLU  15           HA       GLU  15   1.755  -5.930  10.543
  106   1HB   GLU  15          2HB       GLU  15   3.316  -5.722   7.990
  107   2HB   GLU  15          1HB       GLU  15   3.685  -5.040   9.568
  108   1HG   GLU  15          2HG       GLU  15   4.015  -7.421  10.364
  109   2HG   GLU  15          1HG       GLU  15   3.969  -7.888   8.666
  110    H    LEU  16           H        LEU  16   0.871  -3.960  10.343
  111    HA   LEU  16           HA       LEU  16  -0.667  -3.428   7.890
  112   1HB   LEU  16          2HB       LEU  16  -1.562  -3.582  10.476
  113   2HB   LEU  16          1HB       LEU  16  -1.329  -1.856  10.277
  114    HG   LEU  16           HG       LEU  16  -3.634  -2.567   9.778
  115   1HD1  LEU  16          1HD1      LEU  16  -2.304  -0.664   8.579
  116   2HD1  LEU  16          2HD1      LEU  16  -3.909  -1.128   8.011
  117   3HD1  LEU  16          3HD1      LEU  16  -2.473  -1.711   7.170
  118   1HD2  LEU  16          1HD2      LEU  16  -2.255  -4.572   8.236
  119   2HD2  LEU  16          2HD2      LEU  16  -3.400  -3.685   7.229
  120   3HD2  LEU  16          3HD2      LEU  16  -3.954  -4.484   8.701
  121    H    TYR  17           H        TYR  17   0.426  -2.089   6.618
  122    HA   TYR  17           HA       TYR  17   1.511   0.373   7.807
  123   1HB   TYR  17          2HB       TYR  17   2.812  -1.260   5.615
  124   2HB   TYR  17          1HB       TYR  17   3.397   0.282   6.227
  125    HD1  TYR  17           1HD      TYR  17   3.920  -3.123   6.373
  126    HD2  TYR  17           2HD      TYR  17   3.635   0.264   8.930
  127    HE1  TYR  17           1HE      TYR  17   5.257  -4.298   8.066
  128    HE2  TYR  17           2HE      TYR  17   4.970  -0.901  10.631
  129    HH   TYR  17           HH       TYR  17   6.605  -2.727  10.760
  130    H    GLY  18           H        GLY  18   2.351   1.548   5.411
  131   1HA   GLY  18          2HA       GLY  18   1.606   2.385   3.374
  132   2HA   GLY  18          1HA       GLY  18   0.107   1.513   3.595
  133    HA   PRO  19           HA       PRO  19  -1.095   5.306   5.981
  134   1HB   PRO  19          2HB       PRO  19   0.450   6.427   7.845
  135   2HB   PRO  19          1HB       PRO  19  -0.322   4.860   8.133
  136   1HG   PRO  19          2HG       PRO  19   2.499   5.463   7.332
  137   2HG   PRO  19          1HG       PRO  19   1.901   4.299   8.527
  138   1HD   PRO  19          2HD       PRO  19   2.632   3.643   5.956
  139   2HD   PRO  19          1HD       PRO  19   1.497   2.706   6.945
  140    H    PHE  20           H        PHE  20   0.976   5.376   3.734
  141    HA   PHE  20           HA       PHE  20   1.849   8.158   3.875
  142   1HB   PHE  20          2HB       PHE  20   2.531   6.406   1.566
  143   2HB   PHE  20          1HB       PHE  20   3.501   7.639   2.364
  144    HD1  PHE  20           1HD      PHE  20   2.358   4.153   2.514
  145    HD2  PHE  20           2HD      PHE  20   4.900   7.106   4.228
  146    HE1  PHE  20           1HE      PHE  20   3.547   2.398   3.766
  147    HE2  PHE  20           2HE      PHE  20   6.093   5.354   5.481
  148    HZ   PHE  20           HZ       PHE  20   5.414   3.004   5.250
  149    H    THR  21           H        THR  21   1.685   9.417   1.809
  150    HA   THR  21           HA       THR  21  -1.037   9.571   1.006
  151    HB   THR  21           HB       THR  21  -0.115  11.271  -0.655
  152    HG1  THR  21           1HG      THR  21   1.945  11.169  -0.950
  153   1HG2  THR  21          1HG2      THR  21   0.251  12.959   0.942
  154   2HG2  THR  21          2HG2      THR  21   0.782  11.798   2.159
  155   3HG2  THR  21          3HG2      THR  21  -0.910  11.844   1.662
  156    H    SER  22           H        SER  22  -1.956   9.229  -1.051
  157    HA   SER  22           HA       SER  22  -1.418   6.864  -2.324
  158   1HB   SER  22          2HB       SER  22  -3.128   9.097  -2.779
  159   2HB   SER  22          1HB       SER  22  -2.371   8.686  -4.317
  160    HG   SER  22           HG       SER  22  -4.160   7.416  -4.155
  161    H    ALA  23           H        ALA  23   0.098   9.956  -2.761
  162    HA   ALA  23           HA       ALA  23   1.404   9.510  -5.209
  163   1HB   ALA  23          1HB       ALA  23   2.532  11.475  -4.785
  164   2HB   ALA  23          2HB       ALA  23   2.648  11.157  -3.054
  165   3HB   ALA  23          3HB       ALA  23   1.112  11.665  -3.756
  166    H    GLN  24           H        GLN  24   2.506   9.087  -1.855
  167    HA   GLN  24           HA       GLN  24   5.043   8.044  -2.524
  168   1HB   GLN  24          2HB       GLN  24   4.340   9.019  -0.294
  169   2HB   GLN  24          1HB       GLN  24   3.515   7.497   0.017
  170   1HG   GLN  24          2HG       GLN  24   5.508   7.128   1.067
  171   2HG   GLN  24          1HG       GLN  24   5.846   6.460  -0.529
  172   1HE2  GLN  24          1HE2      GLN  24   8.020   6.773  -0.497
  173   2HE2  GLN  24          2HE2      GLN  24   8.763   8.332  -0.504
  174    H    MET  25           H        MET  25   1.923   6.579  -1.955
  175    HA   MET  25           HA       MET  25   2.807   3.889  -1.872
  176   1HB   MET  25          2HB       MET  25   0.150   5.200  -2.366
  177   2HB   MET  25          1HB       MET  25   0.337   3.464  -2.567
  178   1HG   MET  25          2HG       MET  25   0.866   5.030  -0.051
  179   2HG   MET  25          1HG       MET  25  -0.528   4.000  -0.368
  180   1HE   MET  25          1HE       MET  25   1.326   1.792  -2.109
  181   2HE   MET  25          2HE       MET  25  -0.064   1.321  -1.133
  182   3HE   MET  25          3HE       MET  25   1.496   0.543  -0.876
  183    H    GLN  26           H        GLN  26   1.575   5.949  -4.478
  184    HA   GLN  26           HA       GLN  26   1.513   4.038  -6.512
  185   1HB   GLN  26          2HB       GLN  26   1.331   6.907  -6.296
  186   2HB   GLN  26          1HB       GLN  26   2.309   6.475  -7.691
  187   1HG   GLN  26          2HG       GLN  26  -0.406   5.305  -7.164
  188   2HG   GLN  26          1HG       GLN  26  -0.146   6.765  -8.117
  189   1HE2  GLN  26          1HE2      GLN  26  -0.581   3.523  -8.298
  190   2HE2  GLN  26          2HE2      GLN  26   0.137   3.214  -9.838
  191    H    THR  27           H        THR  27   4.154   6.022  -5.284
  192    HA   THR  27           HA       THR  27   6.051   5.450  -7.267
  193    HB   THR  27           HB       THR  27   6.509   6.019  -4.331
  194    HG1  THR  27           1HG      THR  27   5.488   7.761  -5.099
  195   1HG2  THR  27          1HG2      THR  27   8.619   7.117  -5.374
  196   2HG2  THR  27          2HG2      THR  27   8.354   5.947  -6.666
  197   3HG2  THR  27          3HG2      THR  27   8.605   5.391  -5.010
  198    H    TRP  28           H        TRP  28   5.694   3.956  -4.042
  199    HA   TRP  28           HA       TRP  28   7.580   1.920  -4.457
  200   1HB   TRP  28          2HB       TRP  28   5.250   2.200  -2.570
  201   2HB   TRP  28          1HB       TRP  28   6.289   0.782  -2.562
  202    HD1  TRP  28           HD       TRP  28   9.124   2.056  -2.791
  203    HE1  TRP  28           1HE      TRP  28  10.073   3.509  -0.888
  204    HE3  TRP  28           3HE      TRP  28   4.742   3.370  -0.512
  205    HZ2  TRP  28           2HZ      TRP  28   9.091   5.011   1.292
  206    HZ3  TRP  28           3HZ      TRP  28   4.832   4.818   1.474
  207    HH2  TRP  28           HH       TRP  28   6.963   5.619   2.358
  208    H    VAL  29           H        VAL  29   4.058   1.955  -4.852
  209    HA   VAL  29           HA       VAL  29   3.794  -0.758  -5.582
  210    HB   VAL  29           HB       VAL  29   1.996   1.565  -6.292
  211   1HG1  VAL  29          1HG1      VAL  29   1.680  -1.402  -6.504
  212   2HG1  VAL  29          2HG1      VAL  29   1.290  -0.149  -7.682
  213   3HG1  VAL  29          3HG1      VAL  29   0.275  -0.366  -6.256
  214   1HG2  VAL  29          1HG2      VAL  29   2.576   0.970  -3.807
  215   2HG2  VAL  29          2HG2      VAL  29   1.445  -0.356  -4.079
  216   3HG2  VAL  29          3HG2      VAL  29   0.911   1.312  -4.281
  217    H    SER  30           H        SER  30   4.449   2.156  -7.432
  218    HA   SER  30           HA       SER  30   4.244   0.740  -9.960
  219   1HB   SER  30          2HB       SER  30   5.051   3.600  -9.382
  220   2HB   SER  30          1HB       SER  30   4.756   2.918 -10.982
  221    HG   SER  30           HG       SER  30   2.989   3.872  -9.179
  222    H    GLU  31           H        GLU  31   6.727   2.028  -7.829
  223    HA   GLU  31           HA       GLU  31   8.932   1.913  -9.516
  224   1HB   GLU  31          2HB       GLU  31   8.565   1.684  -6.561
  225   2HB   GLU  31          1HB       GLU  31  10.141   1.313  -7.246
  226   1HG   GLU  31          2HG       GLU  31   8.744   3.875  -7.904
  227   2HG   GLU  31          1HG       GLU  31   9.677   3.699  -6.419
  228    H    GLY  32           H        GLY  32   7.214  -0.657  -7.897
  229   1HA   GLY  32          2HA       GLY  32   7.341  -2.861  -8.951
  230   2HA   GLY  32          1HA       GLY  32   9.062  -2.583  -9.161
  231    H    TYR  33           H        TYR  33   8.243  -1.381  -6.186
  232    HA   TYR  33           HA       TYR  33   9.710  -3.230  -4.728
  233   1HB   TYR  33          2HB       TYR  33   8.112  -0.900  -4.173
  234   2HB   TYR  33          1HB       TYR  33   7.804  -2.133  -2.954
  235    HD1  TYR  33           1HD      TYR  33  10.139   0.322  -4.194
  236    HD2  TYR  33           2HD      TYR  33   9.727  -3.050  -1.633
  237    HE1  TYR  33           1HE      TYR  33  12.223   0.946  -3.046
  238    HE2  TYR  33           2HE      TYR  33  11.809  -2.436  -0.478
  239    HH   TYR  33           HH       TYR  33  13.785  -1.155  -0.798
  240    H    PHE  34           H        PHE  34   6.297  -3.183  -5.526
  241    HA   PHE  34           HA       PHE  34   5.935  -5.704  -4.052
  242   1HB   PHE  34          2HB       PHE  34   3.653  -4.093  -5.150
  243   2HB   PHE  34          1HB       PHE  34   3.666  -5.211  -3.793
  244    HD1  PHE  34           1HD      PHE  34   2.584  -2.315  -3.976
  245    HD2  PHE  34           2HD      PHE  34   6.214  -3.989  -2.518
  246    HE1  PHE  34           1HE      PHE  34   2.834  -0.418  -2.429
  247    HE2  PHE  34           2HE      PHE  34   6.471  -2.094  -0.969
  248    HZ   PHE  34           HZ       PHE  34   4.779  -0.306  -0.926
  249    HA   PRO  35           HA       PRO  35   6.069  -6.941  -8.509
  250   1HB   PRO  35          2HB       PRO  35   7.230  -9.356  -8.024
  251   2HB   PRO  35          1HB       PRO  35   8.150  -7.865  -8.248
  252   1HG   PRO  35          2HG       PRO  35   7.371  -9.247  -5.710
  253   2HG   PRO  35          1HG       PRO  35   8.920  -8.503  -6.150
  254   1HD   PRO  35          2HD       PRO  35   7.124  -7.259  -4.563
  255   2HD   PRO  35          1HD       PRO  35   8.169  -6.368  -5.689
  256    H    ASP  36           H        ASP  36   4.723  -8.287  -5.624
  257    HA   ASP  36           HA       ASP  36   2.990 -10.031  -7.236
  258   1HB   ASP  36          2HB       ASP  36   4.346 -11.301  -5.666
  259   2HB   ASP  36          1HB       ASP  36   3.810 -10.278  -4.338
  260    H    GLY  37           H        GLY  37   3.064  -7.175  -5.468
  261   1HA   GLY  37          2HA       GLY  37   1.240  -5.718  -5.229
  262   2HA   GLY  37          1HA       GLY  37   0.150  -7.080  -5.439
  263    H    VAL  38           H        VAL  38  -0.122  -5.119  -3.429
  264    HA   VAL  38           HA       VAL  38   0.226  -6.812  -1.059
  265    HB   VAL  38           HB       VAL  38   0.577  -4.700   0.279
  266   1HG1  VAL  38          1HG1      VAL  38   2.517  -5.875   0.188
  267   2HG1  VAL  38          2HG1      VAL  38   3.024  -4.478  -0.764
  268   3HG1  VAL  38          3HG1      VAL  38   2.514  -5.960  -1.574
  269   1HG2  VAL  38          1HG2      VAL  38  -0.098  -2.977  -1.165
  270   2HG2  VAL  38          2HG2      VAL  38   0.884  -3.589  -2.496
  271   3HG2  VAL  38          3HG2      VAL  38   1.659  -2.842  -1.099
  272    H    TYR  39           H        TYR  39  -1.228  -6.264   0.721
  273    HA   TYR  39           HA       TYR  39  -3.898  -5.945  -0.200
  274   1HB   TYR  39          2HB       TYR  39  -2.567  -6.811   2.182
  275   2HB   TYR  39          1HB       TYR  39  -3.788  -5.624   2.621
  276    HD1  TYR  39           1HD      TYR  39  -5.533  -6.838   3.560
  277    HD2  TYR  39           2HD      TYR  39  -3.802  -8.190  -0.082
  278    HE1  TYR  39           1HE      TYR  39  -7.273  -8.568   3.385
  279    HE2  TYR  39           2HE      TYR  39  -5.538  -9.923  -0.271
  280    HH   TYR  39           HH       TYR  39  -7.928 -10.238   0.598
  281    H    CYS  40           H        CYS  40  -3.885  -3.876  -1.192
  282    HA   CYS  40           HA       CYS  40  -3.310  -1.543   0.403
  283   1HB   CYS  40          2HB       CYS  40  -3.998  -2.077  -2.431
  284   2HB   CYS  40          1HB       CYS  40  -4.416  -0.491  -1.796
  285    HG   CYS  40           HG       CYS  40  -2.072   0.166  -1.986
  286    H    ARG  41           H        ARG  41  -4.743  -0.031   1.153
  287    HA   ARG  41           HA       ARG  41  -7.519  -0.055   0.627
  288   1HB   ARG  41          2HB       ARG  41  -7.873  -1.909   1.953
  289   2HB   ARG  41          1HB       ARG  41  -6.510  -1.553   3.003
  290   1HG   ARG  41          2HG       ARG  41  -7.736  -0.274   4.393
  291   2HG   ARG  41          1HG       ARG  41  -8.749   0.360   3.094
  292   1HD   ARG  41          2HD       ARG  41  -9.243  -2.435   3.358
  293   2HD   ARG  41          1HD       ARG  41  -9.347  -1.692   4.954
  294    HE   ARG  41           HE       ARG  41 -11.250  -1.482   2.893
  295   1HH1  ARG  41          1HH1      ARG  41  -9.669   0.482   5.308
  296   2HH1  ARG  41          2HH1      ARG  41 -10.986   1.598   5.440
  297   1HH2  ARG  41          1HH2      ARG  41 -12.981  -0.013   3.068
  298   2HH2  ARG  41          2HH2      ARG  41 -12.865   1.317   4.170
  299    H    LYS  42           H        LYS  42  -8.414   1.856   1.245
  300    HA   LYS  42           HA       LYS  42  -6.767   3.978   2.020
  301   1HB   LYS  42          2HB       LYS  42  -9.696   3.555   1.703
  302   2HB   LYS  42          1HB       LYS  42  -9.176   4.969   2.603
  303   1HG   LYS  42          2HG       LYS  42  -7.752   5.596   0.653
  304   2HG   LYS  42          1HG       LYS  42  -8.491   4.265  -0.239
  305   1HD   LYS  42          2HD       LYS  42 -10.382   6.093   1.078
  306   2HD   LYS  42          1HD       LYS  42  -9.431   6.809  -0.224
  307   1HE   LYS  42          2HE       LYS  42 -10.376   5.490  -1.827
  308   2HE   LYS  42          1HE       LYS  42 -10.661   4.153  -0.713
  309   1HZ   LYS  42          1HZ       LYS  42 -12.535   5.264   0.192
  310   2HZ   LYS  42          2HZ       LYS  42 -12.701   5.322  -1.491
  311   3HZ   LYS  42          3HZ       LYS  42 -12.190   6.694  -0.645
  312    H    LEU  43           H        LEU  43  -6.189   4.791   3.920
  313    HA   LEU  43           HA       LEU  43  -6.239   3.359   6.263
  314   1HB   LEU  43          2HB       LEU  43  -6.192   6.363   6.231
  315   2HB   LEU  43          1HB       LEU  43  -5.385   5.276   7.347
  316    HG   LEU  43           HG       LEU  43  -4.663   5.732   4.450
  317   1HD1  LEU  43          1HD1      LEU  43  -3.957   7.545   5.846
  318   2HD1  LEU  43          2HD1      LEU  43  -2.553   6.561   5.431
  319   3HD1  LEU  43          3HD1      LEU  43  -3.283   6.426   7.030
  320   1HD2  LEU  43          1HD2      LEU  43  -2.847   4.191   4.780
  321   2HD2  LEU  43          2HD2      LEU  43  -4.364   3.375   5.161
  322   3HD2  LEU  43          3HD2      LEU  43  -3.313   3.938   6.462
  323    H    ASP  44           H        ASP  44  -8.338   6.135   5.470
  324    HA   ASP  44           HA       ASP  44 -10.086   5.368   7.693
  325   1HB   ASP  44          2HB       ASP  44  -9.187   7.766   7.341
  326   2HB   ASP  44          1HB       ASP  44 -10.386   7.871   6.054
  327    HA   PRO  45           HA       PRO  45 -11.893   4.980   8.423
  328   1HB   PRO  45          2HB       PRO  45 -13.545   2.881   8.676
  329   2HB   PRO  45          1HB       PRO  45 -14.149   4.494   8.271
  330   1HG   PRO  45          2HG       PRO  45 -13.637   2.154   6.475
  331   2HG   PRO  45          1HG       PRO  45 -15.009   3.278   6.485
  332   1HD   PRO  45          2HD       PRO  45 -12.895   3.472   4.753
  333   2HD   PRO  45          1HD       PRO  45 -13.882   4.854   5.263
  334    HA   PRO  46           HA       PRO  46  -8.951   1.718   9.010
  335   1HB   PRO  46          2HB       PRO  46  -9.117   1.306  11.652
  336   2HB   PRO  46          1HB       PRO  46  -8.508   2.829  10.992
  337   1HG   PRO  46          2HG       PRO  46 -11.217   2.189  12.092
  338   2HG   PRO  46          1HG       PRO  46 -10.222   3.635  12.339
  339   1HD   PRO  46          2HD       PRO  46 -12.301   3.485  10.550
  340   2HD   PRO  46          1HD       PRO  46 -10.930   4.599  10.389
  341    H    GLY  47           H        GLY  47  -9.258  -0.296   8.264
  342   1HA   GLY  47          2HA       GLY  47  -9.757  -2.571   8.565
  343   2HA   GLY  47          1HA       GLY  47 -10.901  -2.130   9.822
  344    H    GLY  48           H        GLY  48 -10.453  -2.831   6.492
  345   1HA   GLY  48          2HA       GLY  48 -13.326  -2.985   6.132
  346   2HA   GLY  48          1HA       GLY  48 -12.520  -1.802   5.117
  347    H    GLN  49           H        GLN  49 -13.671  -3.397   3.575
  348    HA   GLN  49           HA       GLN  49 -12.505  -5.934   3.112
  349   1HB   GLN  49          2HB       GLN  49 -13.893  -4.244   1.038
  350   2HB   GLN  49          1HB       GLN  49 -13.785  -5.998   1.106
  351   1HG   GLN  49          2HG       GLN  49 -15.021  -5.527   3.441
  352   2HG   GLN  49          1HG       GLN  49 -15.603  -4.151   2.506
  353   1HE2  GLN  49          1HE2      GLN  49 -15.981  -7.428   3.176
  354   2HE2  GLN  49          2HE2      GLN  49 -17.120  -7.810   1.933
  355    H    PHE  50           H        PHE  50 -10.250  -5.251   3.300
  356    HA   PHE  50           HA       PHE  50  -8.804  -3.553   1.775
  357   1HB   PHE  50          2HB       PHE  50  -8.242  -6.174   3.007
  358   2HB   PHE  50          1HB       PHE  50  -7.110  -5.674   1.755
  359    HD1  PHE  50           1HD      PHE  50  -8.796  -4.314   4.791
  360    HD2  PHE  50           2HD      PHE  50  -5.304  -4.397   2.363
  361    HE1  PHE  50           1HE      PHE  50  -7.635  -2.881   6.420
  362    HE2  PHE  50           2HE      PHE  50  -4.134  -2.966   3.986
  363    HZ   PHE  50           HZ       PHE  50  -5.299  -2.206   6.018
  364    H    TYR  51           H        TYR  51  -7.354  -3.952  -0.103
  365    HA   TYR  51           HA       TYR  51  -8.281  -5.895  -2.046
  366   1HB   TYR  51          2HB       TYR  51  -8.097  -3.197  -3.221
  367   2HB   TYR  51          1HB       TYR  51  -9.233  -4.496  -3.558
  368    HD1  TYR  51           1HD      TYR  51 -11.447  -4.192  -2.963
  369    HD2  TYR  51           2HD      TYR  51  -8.451  -1.997  -0.890
  370    HE1  TYR  51           1HE      TYR  51 -13.196  -2.971  -1.741
  371    HE2  TYR  51           2HE      TYR  51 -10.190  -0.771   0.340
  372    HH   TYR  51           HH       TYR  51 -12.488  -0.962   0.963
  373    H    ASN  52           H        ASN  52  -6.695  -6.515  -3.421
  374    HA   ASN  52           HA       ASN  52  -4.028  -5.978  -2.823
  375   1HB   ASN  52          2HB       ASN  52  -4.954  -7.965  -4.101
  376   2HB   ASN  52          1HB       ASN  52  -5.019  -6.919  -5.516
  377   1HD2  ASN  52          1HD2      ASN  52  -3.578  -8.686  -6.293
  378   2HD2  ASN  52          2HD2      ASN  52  -1.881  -8.496  -6.037
  379    H    SER  53           H        SER  53  -2.537  -4.549  -3.554
  380    HA   SER  53           HA       SER  53  -3.304  -2.072  -4.541
  381   1HB   SER  53          2HB       SER  53  -1.027  -1.523  -4.609
  382   2HB   SER  53          1HB       SER  53  -1.089  -2.810  -3.405
  383    HG   SER  53           HG       SER  53   0.569  -3.267  -4.818
  384    H    LYS  54           H        LYS  54  -2.434  -4.989  -6.246
  385    HA   LYS  54           HA       LYS  54  -2.106  -3.745  -8.801
  386   1HB   LYS  54          2HB       LYS  54  -1.482  -6.203  -7.761
  387   2HB   LYS  54          1HB       LYS  54  -2.858  -6.585  -8.787
  388   1HG   LYS  54          2HG       LYS  54  -1.672  -6.336 -10.657
  389   2HG   LYS  54          1HG       LYS  54  -0.924  -4.842 -10.088
  390   1HD   LYS  54          2HD       LYS  54   0.089  -7.092  -8.607
  391   2HD   LYS  54          1HD       LYS  54   0.270  -7.371 -10.339
  392   1HE   LYS  54          2HE       LYS  54   1.829  -5.766 -10.560
  393   2HE   LYS  54          1HE       LYS  54   1.001  -4.672  -9.452
  394   1HZ   LYS  54          1HZ       LYS  54   2.284  -7.036  -8.310
  395   2HZ   LYS  54          2HZ       LYS  54   2.122  -5.478  -7.670
  396   3HZ   LYS  54          3HZ       LYS  54   3.294  -5.788  -8.850
  397    H    ARG  55           H        ARG  55  -4.812  -4.326  -6.916
  398    HA   ARG  55           HA       ARG  55  -6.569  -4.550  -9.260
  399   1HB   ARG  55          2HB       ARG  55  -6.711  -5.573  -6.510
  400   2HB   ARG  55          1HB       ARG  55  -8.215  -4.881  -7.100
  401   1HG   ARG  55          2HG       ARG  55  -7.898  -6.364  -9.148
  402   2HG   ARG  55          1HG       ARG  55  -6.669  -7.203  -8.199
  403   1HD   ARG  55          2HD       ARG  55  -8.191  -8.161  -6.829
  404   2HD   ARG  55          1HD       ARG  55  -9.254  -6.755  -6.853
  405    HE   ARG  55           HE       ARG  55  -9.458  -9.071  -8.485
  406   1HH1  ARG  55          1HH1      ARG  55  -9.964  -5.618  -8.500
  407   2HH1  ARG  55          2HH1      ARG  55 -11.188  -5.676  -9.724
  408   1HH2  ARG  55          1HH2      ARG  55 -11.069  -9.150 -10.095
  409   2HH2  ARG  55          2HH2      ARG  55 -11.816  -7.681 -10.629
  410    H    ILE  56           H        ILE  56  -5.264  -2.199  -7.446
  411    HA   ILE  56           HA       ILE  56  -7.713  -0.572  -7.378
  412    HB   ILE  56           HB       ILE  56  -5.104  -0.169  -5.916
  413   1HG1  ILE  56          2HG1      ILE  56  -7.851  -1.033  -4.992
  414   2HG1  ILE  56          1HG1      ILE  56  -6.376  -1.993  -4.969
  415   1HG2  ILE  56          1HG2      ILE  56  -6.357   1.638  -4.728
  416   2HG2  ILE  56          2HG2      ILE  56  -7.639   1.463  -5.925
  417   3HG2  ILE  56          3HG2      ILE  56  -6.029   1.980  -6.426
  418   1HD1  ILE  56          1HD1      ILE  56  -7.420  -0.319  -2.955
  419   2HD1  ILE  56          2HD1      ILE  56  -5.906   0.394  -3.511
  420   3HD1  ILE  56          3HD1      ILE  56  -5.936  -1.272  -2.932
  421    H    ASP  57           H        ASP  57  -7.626   1.595  -8.148
  422    HA   ASP  57           HA       ASP  57  -5.481   2.069 -10.113
  423   1HB   ASP  57          2HB       ASP  57  -7.880   1.580 -10.946
  424   2HB   ASP  57          1HB       ASP  57  -8.256   3.200 -10.367
  425    H    PHE  58           H        PHE  58  -4.239   3.264  -8.617
  426    HA   PHE  58           HA       PHE  58  -5.184   5.391  -7.062
  427   1HB   PHE  58          2HB       PHE  58  -2.423   5.025  -8.240
  428   2HB   PHE  58          1HB       PHE  58  -2.838   6.096  -6.906
  429    HD1  PHE  58           1HD      PHE  58  -3.186   5.250  -4.697
  430    HD2  PHE  58           2HD      PHE  58  -2.429   2.598  -7.939
  431    HE1  PHE  58           1HE      PHE  58  -2.770   3.424  -3.101
  432    HE2  PHE  58           2HE      PHE  58  -2.013   0.767  -6.349
  433    HZ   PHE  58           HZ       PHE  58  -2.179   1.178  -3.927
  434    H    ASP  59           H        ASP  59  -4.495   5.181 -10.432
  435    HA   ASP  59           HA       ASP  59  -3.996   7.884 -11.010
  436   1HB   ASP  59          2HB       ASP  59  -3.708   5.843 -12.533
  437   2HB   ASP  59          1HB       ASP  59  -5.430   5.998 -12.872
  438    H    LEU  60           H        LEU  60  -6.909   6.248 -10.168
  439    HA   LEU  60           HA       LEU  60  -8.562   8.418 -11.177
  440   1HB   LEU  60          2HB       LEU  60  -9.492   5.926  -9.769
  441   2HB   LEU  60          1HB       LEU  60 -10.452   7.025 -10.742
  442    HG   LEU  60           HG       LEU  60  -8.255   5.245 -11.801
  443   1HD1  LEU  60          1HD1      LEU  60 -10.310   4.184 -12.948
  444   2HD1  LEU  60          2HD1      LEU  60 -11.227   4.941 -11.647
  445   3HD1  LEU  60          3HD1      LEU  60  -9.964   3.771 -11.269
  446   1HD2  LEU  60          1HD2      LEU  60 -10.284   6.513 -13.545
  447   2HD2  LEU  60          2HD2      LEU  60  -8.593   6.128 -13.865
  448   3HD2  LEU  60          3HD2      LEU  60  -9.007   7.549 -12.905
  449    H    TYR  61           H        TYR  61  -6.724   8.775  -8.931
  450    HA   TYR  61           HA       TYR  61  -8.672   9.806  -7.016
  451   1HB   TYR  61          2HB       TYR  61  -6.351   8.006  -6.316
  452   2HB   TYR  61          1HB       TYR  61  -7.193   9.000  -5.134
  453    HD1  TYR  61           1HD      TYR  61  -6.928   5.785  -6.152
  454    HD2  TYR  61           2HD      TYR  61  -9.949   8.726  -5.580
  455    HE1  TYR  61           1HE      TYR  61  -8.598   4.004  -5.861
  456    HE2  TYR  61           2HE      TYR  61 -11.627   6.954  -5.285
  457    HH   TYR  61           HH       TYR  61 -11.730   4.352  -6.157
  458    H    THR  62           H        THR  62  -5.245   9.628  -7.935
  459    HA   THR  62           HA       THR  62  -4.541  12.050  -6.600
  460    HB   THR  62           HB       THR  62  -2.396  11.826  -7.735
  461    HG1  THR  62           1HG      THR  62  -3.786   9.926  -9.296
  462   1HG2  THR  62          1HG2      THR  62  -2.095   9.214  -7.324
  463   2HG2  THR  62          2HG2      THR  62  -3.606   9.464  -6.449
  464   3HG2  THR  62          3HG2      THR  62  -2.170  10.391  -6.012
  465   1H    SER  63          1HT       SER  63  12.084  13.871  -6.270
  466   2H    SER  63          2HT       SER  63  13.397  13.103  -5.475
  467   3H    SER  63          3HT       SER  63  11.785  12.775  -4.985
  468    HA   SER  63           HA       SER  63  11.383  11.918  -7.251
  469   1HB   SER  63          2HB       SER  63  14.347  11.584  -7.455
  470   2HB   SER  63          1HB       SER  63  13.135  11.649  -8.735
  471    HG   SER  63           HG       SER  63  12.915  13.934  -8.126
  472    H    HIS  64           H        HIS  64  14.379  10.996  -5.542
  473    HA   HIS  64           HA       HIS  64  13.782   8.250  -5.480
  474   1HB   HIS  64          2HB       HIS  64  15.604   8.090  -3.823
  475   2HB   HIS  64          1HB       HIS  64  16.061   9.081  -5.205
  476    HD1  HIS  64           1HD      HIS  64  17.576  10.818  -4.300
  477    HD2  HIS  64           2HD      HIS  64  14.255  10.239  -1.871
  478    HE1  HIS  64           1HE      HIS  64  17.754  12.556  -2.492
  479    HE2  HIS  64           2HE      HIS  64  15.778  12.133  -0.989
  480    H    ARG  65           H        ARG  65  13.822   7.102  -3.187
  481    HA   ARG  65           HA       ARG  65  12.264   8.400  -1.154
  482   1HB   ARG  65          2HB       ARG  65  10.226   7.358  -1.388
  483   2HB   ARG  65          1HB       ARG  65  10.667   7.601  -3.070
  484   1HG   ARG  65          2HG       ARG  65  11.097   5.039  -1.551
  485   2HG   ARG  65          1HG       ARG  65   9.711   5.372  -2.590
  486   1HD   ARG  65          2HD       ARG  65  10.900   4.591  -4.298
  487   2HD   ARG  65          1HD       ARG  65  11.948   5.999  -4.135
  488    HE   ARG  65           HE       ARG  65  12.956   4.267  -2.321
  489   1HH1  ARG  65          1HH1      ARG  65  12.187   3.986  -5.713
  490   2HH1  ARG  65          2HH1      ARG  65  13.425   2.817  -6.025
  491   1HH2  ARG  65          1HH2      ARG  65  14.584   2.729  -2.729
  492   2HH2  ARG  65          2HH2      ARG  65  14.786   2.102  -4.331
  493    HA   PRO  66           HA       PRO  66  14.215   5.304   1.301
  494   1HB   PRO  66          2HB       PRO  66  12.663   5.298   3.485
  495   2HB   PRO  66          1HB       PRO  66  13.657   6.697   3.057
  496   1HG   PRO  66          2HG       PRO  66  10.727   6.251   2.625
  497   2HG   PRO  66          1HG       PRO  66  11.565   7.710   3.183
  498   1HD   PRO  66          2HD       PRO  66  10.731   7.330   0.598
  499   2HD   PRO  66          1HD       PRO  66  12.100   8.363   1.050
  500    HA   PRO  67           HA       PRO  67  12.352   1.339   0.885
  501   1HB   PRO  67          2HB       PRO  67  13.172   0.555   3.589
  502   2HB   PRO  67          1HB       PRO  67  13.738  -0.048   2.030
  503   1HG   PRO  67          2HG       PRO  67  15.273   1.486   3.640
  504   2HG   PRO  67          1HG       PRO  67  15.397   1.531   1.873
  505   1HD   PRO  67          2HD       PRO  67  14.046   3.450   3.728
  506   2HD   PRO  67          1HD       PRO  67  14.983   3.775   2.259
  507    HA   PRO  68           HA       PRO  68   8.385   1.781   2.912
  508   1HB   PRO  68          2HB       PRO  68   7.286  -0.553   2.013
  509   2HB   PRO  68          1HB       PRO  68   7.403   0.911   1.030
  510   1HG   PRO  68          2HG       PRO  68   9.170  -1.504   1.050
  511   2HG   PRO  68          1HG       PRO  68   8.556  -0.577  -0.332
  512   1HD   PRO  68          2HD       PRO  68  11.068  -0.269   0.595
  513   2HD   PRO  68          1HD       PRO  68  10.142   1.087  -0.082
  514    HA   PRO  69           HA       PRO  69   8.755  -0.527   6.655
  515   1HB   PRO  69          2HB       PRO  69   6.097  -0.967   7.234
  516   2HB   PRO  69          1HB       PRO  69   6.966   0.525   7.590
  517   1HG   PRO  69          2HG       PRO  69   5.132  -0.111   5.326
  518   2HG   PRO  69          1HG       PRO  69   5.314   1.395   6.238
  519   1HD   PRO  69          2HD       PRO  69   6.353   1.065   3.767
  520   2HD   PRO  69          1HD       PRO  69   7.143   2.071   4.998
  521    H    GLY  70           H        GLY  70   7.708  -2.550   7.740
  522   1HA   GLY  70          2HA       GLY  70   7.154  -4.787   7.647
  523   2HA   GLY  70          1HA       GLY  70   6.738  -4.578   5.954
  524    H    HIS  71           H        HIS  71   8.491  -4.537   4.396
  525    HA   HIS  71           HA       HIS  71  10.167  -5.736   3.406
  526   1HB   HIS  71          2HB       HIS  71  12.331  -5.007   4.086
  527   2HB   HIS  71          1HB       HIS  71  11.229  -3.688   4.417
  528    HD1  HIS  71           1HD      HIS  71  12.611  -2.640   6.172
  529    HD2  HIS  71           2HD      HIS  71  11.782  -6.601   7.033
  530    HE1  HIS  71           1HE      HIS  71  13.354  -2.972   8.554
  531    HE2  HIS  71           2HE      HIS  71  12.744  -5.358   9.082
  532    H    ARG  72           H        ARG  72  12.461  -6.950   4.424
  533    HA   ARG  72           HA       ARG  72  12.139  -8.706   6.526
  534   1HB   ARG  72          2HB       ARG  72  11.644 -10.834   5.203
  535   2HB   ARG  72          1HB       ARG  72  10.285  -9.765   5.518
  536   1HG   ARG  72          2HG       ARG  72  11.032  -8.799   3.145
  537   2HG   ARG  72          1HG       ARG  72  11.605 -10.459   2.970
  538   1HD   ARG  72          2HD       ARG  72   8.836  -9.880   3.955
  539   2HD   ARG  72          1HD       ARG  72   9.199  -9.884   2.229
  540    HE   ARG  72           HE       ARG  72  10.129 -12.245   3.538
  541   1HH1  ARG  72          1HH1      ARG  72   7.304 -10.718   2.171
  542   2HH1  ARG  72          2HH1      ARG  72   6.505 -12.216   1.831
  543   1HH2  ARG  72          1HH2      ARG  72   9.081 -14.217   3.090
  544   2HH2  ARG  72          2HH2      ARG  72   7.513 -14.203   2.353
  545    H    VAL  73           H        VAL  73  14.260  -8.780   6.895
  546    HA   VAL  73           HA       VAL  73  15.980  -9.913   4.800
  547    HB   VAL  73           HB       VAL  73  17.815  -8.372   5.568
  548   1HG1  VAL  73          1HG1      VAL  73  17.144  -6.560   4.145
  549   2HG1  VAL  73          2HG1      VAL  73  15.440  -6.970   4.351
  550   3HG1  VAL  73          3HG1      VAL  73  16.510  -8.062   3.472
  551   1HG2  VAL  73          1HG2      VAL  73  17.213  -7.475   7.595
  552   2HG2  VAL  73          2HG2      VAL  73  15.531  -7.248   7.119
  553   3HG2  VAL  73          3HG2      VAL  73  16.774  -6.156   6.510
  Start of MODEL    2
    1   1H    ASP   1          1HT       ASP   1  -5.409  14.405   0.428
    2   2H    ASP   1          2HT       ASP   1  -4.132  15.462  -0.014
    3   3H    ASP   1          3HT       ASP   1  -4.174  14.773   1.558
    4    HA   ASP   1           HA       ASP   1  -3.596  13.496  -1.014
    5   1HB   ASP   1          2HB       ASP   1  -2.211  13.842   1.646
    6   2HB   ASP   1          1HB       ASP   1  -1.666  12.666   0.455
    7    H    VAL   2           H        VAL   2  -5.073  11.890  -1.263
    8    HA   VAL   2           HA       VAL   2  -6.244  10.388   0.798
    9    HB   VAL   2           HB       VAL   2  -5.806   9.460  -2.042
   10   1HG1  VAL   2          1HG1      VAL   2  -7.784   8.703   0.099
   11   2HG1  VAL   2          2HG1      VAL   2  -6.587   7.671  -0.684
   12   3HG1  VAL   2          3HG1      VAL   2  -7.972   8.265  -1.600
   13   1HG2  VAL   2          1HG2      VAL   2  -8.099  10.428  -2.421
   14   2HG2  VAL   2          2HG2      VAL   2  -6.806  11.608  -2.206
   15   3HG2  VAL   2          3HG2      VAL   2  -7.916  11.265  -0.880
   16    H    MET   3           H        MET   3  -5.101   9.233   2.216
   17    HA   MET   3           HA       MET   3  -2.623   7.948   1.518
   18   1HB   MET   3          2HB       MET   3  -4.218   7.611   4.055
   19   2HB   MET   3          1HB       MET   3  -2.501   7.312   3.826
   20   1HG   MET   3          2HG       MET   3  -2.766   9.945   3.098
   21   2HG   MET   3          1HG       MET   3  -3.910   9.784   4.428
   22   1HE   MET   3          1HE       MET   3  -0.179  11.305   4.924
   23   2HE   MET   3          2HE       MET   3  -1.559  11.699   5.949
   24   3HE   MET   3          3HE       MET   3  -1.752  11.639   4.198
   25    H    TRP   4           H        TRP   4  -2.205   5.674   1.662
   26    HA   TRP   4           HA       TRP   4  -4.558   3.935   1.559
   27   1HB   TRP   4          2HB       TRP   4  -2.459   4.151  -0.594
   28   2HB   TRP   4          1HB       TRP   4  -3.514   2.752  -0.424
   29    HD1  TRP   4           HD       TRP   4  -3.714   6.535  -1.156
   30    HE1  TRP   4           1HE      TRP   4  -5.857   6.974  -2.513
   31    HE3  TRP   4           3HE      TRP   4  -5.723   1.840  -1.032
   32    HZ2  TRP   4           2HZ      TRP   4  -8.104   5.517  -3.412
   33    HZ3  TRP   4           3HZ      TRP   4  -7.870   1.445  -2.162
   34    HH2  TRP   4           HH       TRP   4  -9.034   3.245  -3.329
   35    H    GLU   5           H        GLU   5  -4.261   2.432   3.023
   36    HA   GLU   5           HA       GLU   5  -1.758   1.757   4.164
   37   1HB   GLU   5          2HB       GLU   5  -4.474   1.272   4.725
   38   2HB   GLU   5          1HB       GLU   5  -3.735  -0.312   4.538
   39   1HG   GLU   5          2HG       GLU   5  -2.550  -0.128   6.432
   40   2HG   GLU   5          1HG       GLU   5  -2.220   1.585   6.186
   41    H    TYR   6           H        TYR   6  -1.065  -0.616   4.289
   42    HA   TYR   6           HA       TYR   6  -1.581  -2.258   2.010
   43   1HB   TYR   6          2HB       TYR   6   0.335  -2.043   0.762
   44   2HB   TYR   6          1HB       TYR   6   0.132  -0.385   1.307
   45    HD1  TYR   6           1HD      TYR   6   1.933  -3.546   2.092
   46    HD2  TYR   6           2HD      TYR   6   1.866   0.692   2.458
   47    HE1  TYR   6           1HE      TYR   6   4.203  -3.597   3.030
   48    HE2  TYR   6           2HE      TYR   6   4.139   0.651   3.397
   49    HH   TYR   6           HH       TYR   6   5.546  -1.844   4.694
   50    H    LYS   7           H        LYS   7  -1.155  -4.342   2.423
   51    HA   LYS   7           HA       LYS   7   0.572  -4.993   4.708
   52   1HB   LYS   7          2HB       LYS   7  -1.693  -5.178   5.515
   53   2HB   LYS   7          1HB       LYS   7  -2.173  -6.100   4.100
   54   1HG   LYS   7          2HG       LYS   7  -0.670  -7.922   4.825
   55   2HG   LYS   7          1HG       LYS   7  -0.317  -7.004   6.288
   56   1HD   LYS   7          2HD       LYS   7  -2.074  -8.767   6.561
   57   2HD   LYS   7          1HD       LYS   7  -2.588  -7.143   7.015
   58   1HE   LYS   7          2HE       LYS   7  -3.863  -6.893   5.041
   59   2HE   LYS   7          1HE       LYS   7  -3.110  -8.298   4.288
   60   1HZ   LYS   7          1HZ       LYS   7  -4.436  -8.899   6.768
   61   2HZ   LYS   7          2HZ       LYS   7  -4.546  -9.673   5.268
   62   3HZ   LYS   7          3HZ       LYS   7  -5.484  -8.301   5.581
   63    H    TRP   8           H        TRP   8   2.055  -6.516   4.268
   64    HA   TRP   8           HA       TRP   8   2.409  -7.507   1.663
   65   1HB   TRP   8          2HB       TRP   8   3.620  -8.453   4.267
   66   2HB   TRP   8          1HB       TRP   8   4.184  -8.924   2.668
   67    HD1  TRP   8           HD       TRP   8   4.670  -6.334   5.280
   68    HE1  TRP   8           1HE      TRP   8   6.208  -4.465   4.406
   69    HE3  TRP   8           3HE      TRP   8   4.673  -7.537   0.310
   70    HZ2  TRP   8           2HZ      TRP   8   7.284  -3.616   1.943
   71    HZ3  TRP   8           3HZ      TRP   8   5.985  -6.145  -1.237
   72    HH2  TRP   8           HH       TRP   8   7.261  -4.225  -0.436
   73    H    GLU   9           H        GLU   9   1.554  -9.283   4.632
   74    HA   GLU   9           HA       GLU   9   0.801 -11.614   3.103
   75   1HB   GLU   9          2HB       GLU   9   1.068 -10.929   5.981
   76   2HB   GLU   9          1HB       GLU   9  -0.048 -12.223   5.571
   77   1HG   GLU   9          2HG       GLU   9   2.498 -12.488   4.207
   78   2HG   GLU   9          1HG       GLU   9   2.669 -12.459   5.961
   79    H    ASN  10           H        ASN  10  -1.379 -12.659   4.155
   80    HA   ASN  10           HA       ASN  10  -3.491 -10.636   3.803
   81   1HB   ASN  10          2HB       ASN  10  -4.840 -12.544   2.779
   82   2HB   ASN  10          1HB       ASN  10  -3.531 -11.894   1.796
   83   1HD2  ASN  10          1HD2      ASN  10  -4.228 -14.448   4.143
   84   2HD2  ASN  10          2HD2      ASN  10  -3.201 -15.632   3.421
   85    H    THR  11           H        THR  11  -2.429 -11.398   6.287
   86    HA   THR  11           HA       THR  11  -4.509 -13.131   7.426
   87    HB   THR  11           HB       THR  11  -3.056 -13.686   9.148
   88    HG1  THR  11           1HG      THR  11  -1.253 -12.403   9.702
   89   1HG2  THR  11          1HG2      THR  11  -1.307 -14.636   8.138
   90   2HG2  THR  11          2HG2      THR  11  -0.755 -13.115   7.436
   91   3HG2  THR  11          3HG2      THR  11  -2.057 -14.022   6.664
   92    H    GLY  12           H        GLY  12  -5.070 -12.497   9.770
   93   1HA   GLY  12          2HA       GLY  12  -6.016  -9.746   9.686
   94   2HA   GLY  12          1HA       GLY  12  -6.493 -10.979  10.844
   95    H    ASP  13           H        ASP  13  -3.328 -11.359  10.908
   96    HA   ASP  13           HA       ASP  13  -2.956  -9.361  13.034
   97   1HB   ASP  13          2HB       ASP  13  -2.876 -11.908  13.518
   98   2HB   ASP  13          1HB       ASP  13  -1.294 -11.849  12.744
   99    H    ALA  14           H        ALA  14  -1.810 -10.437   9.974
  100    HA   ALA  14           HA       ALA  14   0.829  -9.850   9.840
  101   1HB   ALA  14          1HB       ALA  14  -1.293 -10.026   7.986
  102   2HB   ALA  14          2HB       ALA  14   0.438 -10.130   7.674
  103   3HB   ALA  14          3HB       ALA  14  -0.379  -8.570   7.592
  104    H    GLU  15           H        GLU  15   2.032  -7.947   9.140
  105    HA   GLU  15           HA       GLU  15   1.569  -5.721  10.784
  106   1HB   GLU  15          2HB       GLU  15   3.251  -5.538   8.308
  107   2HB   GLU  15          1HB       GLU  15   3.507  -4.788   9.877
  108   1HG   GLU  15          2HG       GLU  15   5.032  -6.391  10.156
  109   2HG   GLU  15          1HG       GLU  15   3.646  -7.415  10.528
  110    H    LEU  16           H        LEU  16   0.585  -3.822  10.466
  111    HA   LEU  16           HA       LEU  16  -0.821  -3.454   7.910
  112   1HB   LEU  16          2HB       LEU  16  -1.780  -3.470  10.544
  113   2HB   LEU  16          1HB       LEU  16  -1.810  -1.788  10.052
  114    HG   LEU  16           HG       LEU  16  -3.941  -3.042   9.655
  115   1HD1  LEU  16          1HD1      LEU  16  -2.938  -1.017   8.297
  116   2HD1  LEU  16          2HD1      LEU  16  -4.441  -1.800   7.809
  117   3HD1  LEU  16          3HD1      LEU  16  -2.931  -2.201   6.990
  118   1HD2  LEU  16          1HD2      LEU  16  -4.119  -4.706   8.030
  119   2HD2  LEU  16          2HD2      LEU  16  -2.648  -5.131   8.904
  120   3HD2  LEU  16          3HD2      LEU  16  -2.543  -4.330   7.337
  121    H    TYR  17           H        TYR  17   0.663  -2.280   6.770
  122    HA   TYR  17           HA       TYR  17   1.461   0.314   7.920
  123   1HB   TYR  17          2HB       TYR  17   2.828  -1.276   5.735
  124   2HB   TYR  17          1HB       TYR  17   3.362   0.277   6.359
  125    HD1  TYR  17           1HD      TYR  17   3.752   0.318   8.984
  126    HD2  TYR  17           2HD      TYR  17   3.823  -3.179   6.564
  127    HE1  TYR  17           1HE      TYR  17   5.118  -0.819  10.679
  128    HE2  TYR  17           2HE      TYR  17   5.186  -4.329   8.253
  129    HH   TYR  17           HH       TYR  17   6.831  -2.816  10.630
  130    H    GLY  18           H        GLY  18   2.279   1.555   5.588
  131   1HA   GLY  18          2HA       GLY  18   1.551   2.328   3.506
  132   2HA   GLY  18          1HA       GLY  18   0.057   1.449   3.733
  133    HA   PRO  19           HA       PRO  19  -1.197   5.267   6.034
  134   1HB   PRO  19          2HB       PRO  19   0.292   6.403   7.936
  135   2HB   PRO  19          1HB       PRO  19  -0.495   4.843   8.213
  136   1HG   PRO  19          2HG       PRO  19   2.354   5.431   7.520
  137   2HG   PRO  19          1HG       PRO  19   1.704   4.262   8.682
  138   1HD   PRO  19          2HD       PRO  19   2.535   3.632   6.126
  139   2HD   PRO  19          1HD       PRO  19   1.388   2.673   7.080
  140    H    PHE  20           H        PHE  20   0.890   5.322   3.829
  141    HA   PHE  20           HA       PHE  20   1.817   8.087   3.976
  142   1HB   PHE  20          2HB       PHE  20   2.451   6.294   1.676
  143   2HB   PHE  20          1HB       PHE  20   3.434   7.550   2.419
  144    HD1  PHE  20           1HD      PHE  20   4.916   7.058   4.210
  145    HD2  PHE  20           2HD      PHE  20   2.250   4.079   2.749
  146    HE1  PHE  20           1HE      PHE  20   6.139   5.341   5.484
  147    HE2  PHE  20           2HE      PHE  20   3.468   2.360   4.022
  148    HZ   PHE  20           HZ       PHE  20   5.414   2.995   5.389
  149    H    THR  21           H        THR  21   1.702   9.330   1.886
  150    HA   THR  21           HA       THR  21  -1.018   9.571   1.090
  151    HB   THR  21           HB       THR  21  -0.294  11.408  -0.264
  152    HG1  THR  21           1HG      THR  21   2.264  10.234  -0.027
  153   1HG2  THR  21          1HG2      THR  21   1.645  12.330   1.393
  154   2HG2  THR  21          2HG2      THR  21   0.841  11.137   2.413
  155   3HG2  THR  21          3HG2      THR  21  -0.089  12.453   1.695
  156    H    SER  22           H        SER  22  -1.945   9.254  -0.971
  157    HA   SER  22           HA       SER  22  -1.457   6.879  -2.251
  158   1HB   SER  22          2HB       SER  22  -3.171   9.080  -2.655
  159   2HB   SER  22          1HB       SER  22  -2.363   8.812  -4.199
  160    HG   SER  22           HG       SER  22  -3.967   7.403  -4.329
  161    H    ALA  23           H        ALA  23   0.115   9.943  -2.680
  162    HA   ALA  23           HA       ALA  23   1.409   9.482  -5.131
  163   1HB   ALA  23          1HB       ALA  23   2.325  11.507  -4.774
  164   2HB   ALA  23          2HB       ALA  23   2.869  11.087  -3.150
  165   3HB   ALA  23          3HB       ALA  23   1.198  11.582  -3.420
  166    H    GLN  24           H        GLN  24   2.442   8.938  -1.775
  167    HA   GLN  24           HA       GLN  24   4.980   7.867  -2.488
  168   1HB   GLN  24          2HB       GLN  24   4.094   8.874  -0.215
  169   2HB   GLN  24          1HB       GLN  24   3.669   7.199   0.111
  170   1HG   GLN  24          2HG       GLN  24   5.825   7.694   1.053
  171   2HG   GLN  24          1HG       GLN  24   6.003   6.548  -0.276
  172   1HE2  GLN  24          1HE2      GLN  24   7.813   6.928  -1.312
  173   2HE2  GLN  24          2HE2      GLN  24   8.436   8.479  -1.748
  174    H    MET  25           H        MET  25   1.807   6.538  -1.983
  175    HA   MET  25           HA       MET  25   2.663   3.804  -1.874
  176   1HB   MET  25          2HB       MET  25   0.002   5.170  -2.149
  177   2HB   MET  25          1HB       MET  25   0.138   3.436  -2.400
  178   1HG   MET  25          2HG       MET  25   0.865   4.939   0.103
  179   2HG   MET  25          1HG       MET  25  -0.554   3.923  -0.137
  180   1HE   MET  25          1HE       MET  25   1.177   0.419  -0.715
  181   2HE   MET  25          2HE       MET  25   1.438   1.599  -2.000
  182   3HE   MET  25          3HE       MET  25  -0.143   1.470  -1.227
  183    H    GLN  26           H        GLN  26   1.106   5.838  -4.338
  184    HA   GLN  26           HA       GLN  26   1.013   3.934  -6.384
  185   1HB   GLN  26          2HB       GLN  26  -0.234   5.976  -6.594
  186   2HB   GLN  26          1HB       GLN  26   1.226   6.946  -6.476
  187   1HG   GLN  26          2HG       GLN  26   0.541   6.945  -8.745
  188   2HG   GLN  26          1HG       GLN  26   1.983   5.938  -8.626
  189   1HE2  GLN  26          1HE2      GLN  26   1.502   3.564  -8.287
  190   2HE2  GLN  26          2HE2      GLN  26   0.222   2.893  -9.231
  191    H    THR  27           H        THR  27   3.604   6.001  -5.257
  192    HA   THR  27           HA       THR  27   5.342   5.614  -7.461
  193    HB   THR  27           HB       THR  27   5.968   6.354  -4.596
  194    HG1  THR  27           1HG      THR  27   5.436   7.894  -6.908
  195   1HG2  THR  27          1HG2      THR  27   7.989   7.424  -5.561
  196   2HG2  THR  27          2HG2      THR  27   7.657   6.576  -7.071
  197   3HG2  THR  27          3HG2      THR  27   8.012   5.661  -5.605
  198    H    TRP  28           H        TRP  28   5.212   4.126  -4.230
  199    HA   TRP  28           HA       TRP  28   7.308   2.296  -4.645
  200   1HB   TRP  28          2HB       TRP  28   5.008   2.452  -2.727
  201   2HB   TRP  28          1HB       TRP  28   6.022   1.015  -2.768
  202    HD1  TRP  28           HD       TRP  28   8.859   2.382  -3.112
  203    HE1  TRP  28           1HE      TRP  28   9.875   3.722  -1.162
  204    HE3  TRP  28           3HE      TRP  28   4.579   3.398  -0.507
  205    HZ2  TRP  28           2HZ      TRP  28   8.979   5.034   1.170
  206    HZ3  TRP  28           3HZ      TRP  28   4.744   4.702   1.573
  207    HH2  TRP  28           HH       TRP  28   6.900   5.501   2.394
  208    H    VAL  29           H        VAL  29   3.827   2.069  -5.155
  209    HA   VAL  29           HA       VAL  29   3.809  -0.684  -5.863
  210    HB   VAL  29           HB       VAL  29   1.803   1.501  -6.444
  211   1HG1  VAL  29          1HG1      VAL  29   0.216  -0.434  -6.727
  212   2HG1  VAL  29          2HG1      VAL  29   1.632  -1.480  -6.812
  213   3HG1  VAL  29          3HG1      VAL  29   1.393  -0.219  -8.021
  214   1HG2  VAL  29          1HG2      VAL  29   0.611   0.727  -4.537
  215   2HG2  VAL  29          2HG2      VAL  29   2.285   0.958  -4.039
  216   3HG2  VAL  29          3HG2      VAL  29   1.676  -0.666  -4.357
  217    H    SER  30           H        SER  30   4.291   2.288  -7.644
  218    HA   SER  30           HA       SER  30   4.185   0.877 -10.198
  219   1HB   SER  30          2HB       SER  30   4.061   2.973 -11.242
  220   2HB   SER  30          1HB       SER  30   3.154   3.205  -9.748
  221    HG   SER  30           HG       SER  30   4.702   4.464  -8.978
  222    H    GLU  31           H        GLU  31   6.488   2.375  -8.029
  223    HA   GLU  31           HA       GLU  31   8.677   2.654  -9.720
  224   1HB   GLU  31          2HB       GLU  31   8.362   2.209  -6.784
  225   2HB   GLU  31          1HB       GLU  31   9.968   2.080  -7.486
  226   1HG   GLU  31          2HG       GLU  31   8.265   4.477  -8.020
  227   2HG   GLU  31          1HG       GLU  31   9.187   4.338  -6.524
  228    H    GLY  32           H        GLY  32   7.661  -0.165  -7.818
  229   1HA   GLY  32          2HA       GLY  32   8.236  -2.167  -9.526
  230   2HA   GLY  32          1HA       GLY  32   9.821  -1.782  -8.873
  231    H    TYR  33           H        TYR  33   8.547  -1.026  -6.260
  232    HA   TYR  33           HA       TYR  33   8.955  -3.395  -4.877
  233   1HB   TYR  33          2HB       TYR  33   7.285  -0.999  -4.092
  234   2HB   TYR  33          1HB       TYR  33   7.772  -2.279  -2.987
  235    HD1  TYR  33           1HD      TYR  33   9.975  -2.345  -2.072
  236    HD2  TYR  33           2HD      TYR  33   8.995   0.514  -5.067
  237    HE1  TYR  33           1HE      TYR  33  12.078  -1.153  -1.615
  238    HE2  TYR  33           2HE      TYR  33  11.095   1.711  -4.619
  239    HH   TYR  33           HH       TYR  33  12.738   1.967  -2.890
  240    H    PHE  34           H        PHE  34   7.397  -4.669  -3.623
  241    HA   PHE  34           HA       PHE  34   5.601  -6.053  -3.466
  242   1HB   PHE  34          2HB       PHE  34   3.881  -4.169  -5.026
  243   2HB   PHE  34          1HB       PHE  34   3.482  -5.128  -3.607
  244    HD1  PHE  34           1HD      PHE  34   5.936  -4.203  -1.976
  245    HD2  PHE  34           2HD      PHE  34   2.988  -2.123  -4.227
  246    HE1  PHE  34           1HE      PHE  34   6.256  -2.221  -0.554
  247    HE2  PHE  34           2HE      PHE  34   3.304  -0.136  -2.811
  248    HZ   PHE  34           HZ       PHE  34   4.939  -0.183  -0.975
  249    HA   PRO  35           HA       PRO  35   6.602  -7.189  -7.970
  250   1HB   PRO  35          2HB       PRO  35   7.178  -9.695  -6.460
  251   2HB   PRO  35          1HB       PRO  35   8.054  -8.969  -7.812
  252   1HG   PRO  35          2HG       PRO  35   9.009  -8.795  -5.336
  253   2HG   PRO  35          1HG       PRO  35   9.136  -7.427  -6.457
  254   1HD   PRO  35          2HD       PRO  35   7.287  -7.823  -4.150
  255   2HD   PRO  35          1HD       PRO  35   8.047  -6.335  -4.747
  256    H    ASP  36           H        ASP  36   4.685  -8.505  -5.357
  257    HA   ASP  36           HA       ASP  36   2.944  -9.804  -7.342
  258   1HB   ASP  36          2HB       ASP  36   3.959 -11.462  -5.901
  259   2HB   ASP  36          1HB       ASP  36   3.475 -10.563  -4.468
  260    H    GLY  37           H        GLY  37   3.165  -7.190  -5.295
  261   1HA   GLY  37          2HA       GLY  37   1.445  -5.588  -5.072
  262   2HA   GLY  37          1HA       GLY  37   0.259  -6.859  -5.344
  263    H    VAL  38           H        VAL  38   0.067  -4.981  -3.265
  264    HA   VAL  38           HA       VAL  38   0.359  -6.765  -0.951
  265    HB   VAL  38           HB       VAL  38   0.681  -4.671   0.442
  266   1HG1  VAL  38          1HG1      VAL  38   2.620  -5.841   0.400
  267   2HG1  VAL  38          2HG1      VAL  38   3.157  -4.473  -0.575
  268   3HG1  VAL  38          3HG1      VAL  38   2.635  -5.964  -1.360
  269   1HG2  VAL  38          1HG2      VAL  38   1.135  -3.534  -2.309
  270   2HG2  VAL  38          2HG2      VAL  38   1.791  -2.794  -0.848
  271   3HG2  VAL  38          3HG2      VAL  38   0.045  -2.947  -1.052
  272    H    TYR  39           H        TYR  39  -1.118  -6.286   0.825
  273    HA   TYR  39           HA       TYR  39  -3.776  -5.933  -0.120
  274   1HB   TYR  39          2HB       TYR  39  -2.491  -6.915   2.233
  275   2HB   TYR  39          1HB       TYR  39  -3.692  -5.726   2.718
  276    HD1  TYR  39           1HD      TYR  39  -3.798  -8.093  -0.149
  277    HD2  TYR  39           2HD      TYR  39  -5.406  -7.018   3.639
  278    HE1  TYR  39           1HE      TYR  39  -5.569  -9.778  -0.430
  279    HE2  TYR  39           2HE      TYR  39  -7.182  -8.700   3.371
  280    HH   TYR  39           HH       TYR  39  -7.155 -11.136   1.600
  281    H    CYS  40           H        CYS  40  -3.722  -3.824  -1.031
  282    HA   CYS  40           HA       CYS  40  -3.211  -1.567   0.689
  283   1HB   CYS  40          2HB       CYS  40  -3.681  -2.000  -2.190
  284   2HB   CYS  40          1HB       CYS  40  -4.258  -0.463  -1.554
  285    HG   CYS  40           HG       CYS  40  -1.276  -1.344  -1.529
  286    H    ARG  41           H        ARG  41  -4.713   0.128   1.094
  287    HA   ARG  41           HA       ARG  41  -7.447   0.042   0.538
  288   1HB   ARG  41          2HB       ARG  41  -8.470  -0.878   2.419
  289   2HB   ARG  41          1HB       ARG  41  -7.148  -1.992   2.110
  290   1HG   ARG  41          2HG       ARG  41  -5.882  -1.147   3.916
  291   2HG   ARG  41          1HG       ARG  41  -6.931   0.259   4.089
  292   1HD   ARG  41          2HD       ARG  41  -8.071  -2.484   4.391
  293   2HD   ARG  41          1HD       ARG  41  -7.170  -1.758   5.724
  294    HE   ARG  41           HE       ARG  41  -9.798  -1.045   4.820
  295   1HH1  ARG  41          1HH1      ARG  41  -6.939   0.110   6.453
  296   2HH1  ARG  41          2HH1      ARG  41  -7.778   1.360   7.307
  297   1HH2  ARG  41          1HH2      ARG  41 -10.903   0.605   5.938
  298   2HH2  ARG  41          2HH2      ARG  41 -10.028   1.641   7.016
  299    H    LYS  42           H        LYS  42  -8.398   1.953   1.101
  300    HA   LYS  42           HA       LYS  42  -6.773   4.083   1.953
  301   1HB   LYS  42          2HB       LYS  42  -9.671   3.685   1.403
  302   2HB   LYS  42          1HB       LYS  42  -9.211   5.103   2.328
  303   1HG   LYS  42          2HG       LYS  42  -7.625   5.693   0.492
  304   2HG   LYS  42          1HG       LYS  42  -8.314   4.364  -0.443
  305   1HD   LYS  42          2HD       LYS  42 -10.161   6.382   0.732
  306   2HD   LYS  42          1HD       LYS  42  -9.217   6.831  -0.690
  307   1HE   LYS  42          2HE       LYS  42 -10.394   5.482  -2.055
  308   2HE   LYS  42          1HE       LYS  42 -10.517   4.203  -0.848
  309   1HZ   LYS  42          1HZ       LYS  42 -12.105   6.078   0.206
  310   2HZ   LYS  42          2HZ       LYS  42 -12.655   4.832  -0.797
  311   3HZ   LYS  42          3HZ       LYS  42 -12.349   6.364  -1.445
  312    H    LEU  43           H        LEU  43  -6.185   4.713   3.899
  313    HA   LEU  43           HA       LEU  43  -6.544   3.351   6.232
  314   1HB   LEU  43          2HB       LEU  43  -6.329   6.345   6.233
  315   2HB   LEU  43          1HB       LEU  43  -5.659   5.204   7.383
  316    HG   LEU  43           HG       LEU  43  -4.713   5.624   4.547
  317   1HD1  LEU  43          1HD1      LEU  43  -3.444   6.291   7.191
  318   2HD1  LEU  43          2HD1      LEU  43  -4.112   7.442   6.033
  319   3HD1  LEU  43          3HD1      LEU  43  -2.694   6.484   5.607
  320   1HD2  LEU  43          1HD2      LEU  43  -4.247   3.392   4.904
  321   2HD2  LEU  43          2HD2      LEU  43  -4.015   3.610   6.639
  322   3HD2  LEU  43          3HD2      LEU  43  -2.783   4.169   5.508
  323    H    ASP  44           H        ASP  44  -8.283   6.377   5.472
  324    HA   ASP  44           HA       ASP  44 -10.355   5.579   7.389
  325   1HB   ASP  44          2HB       ASP  44  -9.259   7.809   7.662
  326   2HB   ASP  44          1HB       ASP  44  -9.924   8.282   6.102
  327    HA   PRO  45           HA       PRO  45 -12.362   5.833   7.892
  328   1HB   PRO  45          2HB       PRO  45 -14.544   4.279   7.873
  329   2HB   PRO  45          1HB       PRO  45 -14.618   5.978   7.393
  330   1HG   PRO  45          2HG       PRO  45 -14.517   3.527   5.680
  331   2HG   PRO  45          1HG       PRO  45 -15.502   4.989   5.486
  332   1HD   PRO  45          2HD       PRO  45 -13.172   4.509   4.111
  333   2HD   PRO  45          1HD       PRO  45 -13.818   6.129   4.440
  334    HA   PRO  46           HA       PRO  46 -10.241   2.135   9.060
  335   1HB   PRO  46          2HB       PRO  46 -12.228   1.940  11.269
  336   2HB   PRO  46          1HB       PRO  46 -10.463   1.948  11.340
  337   1HG   PRO  46          2HG       PRO  46 -11.861   4.100  12.052
  338   2HG   PRO  46          1HG       PRO  46 -10.334   4.257  11.162
  339   1HD   PRO  46          2HD       PRO  46 -13.141   4.546  10.182
  340   2HD   PRO  46          1HD       PRO  46 -11.685   5.449   9.720
  341    H    GLY  47           H        GLY  47 -10.482  -0.147   9.141
  342   1HA   GLY  47          2HA       GLY  47 -11.407  -2.154   8.521
  343   2HA   GLY  47          1HA       GLY  47 -12.920  -1.527   9.160
  344    H    GLY  48           H        GLY  48 -10.901  -1.795   6.299
  345   1HA   GLY  48          2HA       GLY  48 -13.303  -1.229   4.671
  346   2HA   GLY  48          1HA       GLY  48 -11.705  -0.670   4.206
  347    H    GLN  49           H        GLN  49 -13.379  -2.233   2.580
  348    HA   GLN  49           HA       GLN  49 -12.709  -4.982   2.680
  349   1HB   GLN  49          2HB       GLN  49 -13.537  -3.390   0.251
  350   2HB   GLN  49          1HB       GLN  49 -13.676  -5.128   0.473
  351   1HG   GLN  49          2HG       GLN  49 -15.103  -4.266   2.586
  352   2HG   GLN  49          1HG       GLN  49 -15.390  -2.948   1.451
  353   1HE2  GLN  49          1HE2      GLN  49 -17.607  -3.965   1.862
  354   2HE2  GLN  49          2HE2      GLN  49 -18.105  -5.168   0.727
  355    H    PHE  50           H        PHE  50 -10.404  -4.746   3.074
  356    HA   PHE  50           HA       PHE  50  -8.396  -3.647   1.740
  357   1HB   PHE  50          2HB       PHE  50  -8.739  -6.241   3.037
  358   2HB   PHE  50          1HB       PHE  50  -7.473  -6.258   1.815
  359    HD1  PHE  50           1HD      PHE  50  -7.909  -5.998   5.148
  360    HD2  PHE  50           2HD      PHE  50  -6.088  -3.833   1.968
  361    HE1  PHE  50           1HE      PHE  50  -6.359  -4.957   6.749
  362    HE2  PHE  50           2HE      PHE  50  -4.537  -2.787   3.566
  363    HZ   PHE  50           HZ       PHE  50  -4.670  -3.350   5.958
  364    H    TYR  51           H        TYR  51  -7.217  -3.853  -0.147
  365    HA   TYR  51           HA       TYR  51  -8.058  -5.782  -2.152
  366   1HB   TYR  51          2HB       TYR  51  -8.896  -3.018  -2.185
  367   2HB   TYR  51          1HB       TYR  51  -7.891  -3.367  -3.587
  368    HD1  TYR  51           1HD      TYR  51  -8.627  -6.179  -4.132
  369    HD2  TYR  51           2HD      TYR  51 -11.055  -2.857  -3.049
  370    HE1  TYR  51           1HE      TYR  51 -10.551  -7.227  -5.250
  371    HE2  TYR  51           2HE      TYR  51 -12.985  -3.896  -4.164
  372    HH   TYR  51           HH       TYR  51 -12.881  -6.095  -6.350
  373    H    ASN  52           H        ASN  52  -6.417  -6.420  -3.422
  374    HA   ASN  52           HA       ASN  52  -3.775  -5.869  -2.775
  375   1HB   ASN  52          2HB       ASN  52  -4.856  -7.783  -4.217
  376   2HB   ASN  52          1HB       ASN  52  -4.481  -6.710  -5.561
  377   1HD2  ASN  52          1HD2      ASN  52  -2.843  -7.745  -6.515
  378   2HD2  ASN  52          2HD2      ASN  52  -1.350  -8.151  -5.748
  379    H    SER  53           H        SER  53  -2.324  -4.361  -3.363
  380    HA   SER  53           HA       SER  53  -3.075  -1.915  -4.411
  381   1HB   SER  53          2HB       SER  53  -0.775  -1.339  -4.432
  382   2HB   SER  53          1HB       SER  53  -0.945  -2.513  -3.128
  383    HG   SER  53           HG       SER  53   0.039  -2.974  -5.748
  384    H    LYS  54           H        LYS  54  -2.021  -4.804  -6.060
  385    HA   LYS  54           HA       LYS  54  -1.603  -3.539  -8.593
  386   1HB   LYS  54          2HB       LYS  54  -1.250  -6.154  -7.461
  387   2HB   LYS  54          1HB       LYS  54  -2.123  -6.292  -8.982
  388   1HG   LYS  54          2HG       LYS  54  -0.310  -5.819 -10.189
  389   2HG   LYS  54          1HG       LYS  54   0.150  -4.478  -9.138
  390   1HD   LYS  54          2HD       LYS  54   0.924  -6.265  -7.486
  391   2HD   LYS  54          1HD       LYS  54   0.778  -7.403  -8.827
  392   1HE   LYS  54          2HE       LYS  54   2.964  -6.816  -9.082
  393   2HE   LYS  54          1HE       LYS  54   2.216  -5.558 -10.067
  394   1HZ   LYS  54          1HZ       LYS  54   3.965  -5.039  -8.156
  395   2HZ   LYS  54          2HZ       LYS  54   2.548  -4.967  -7.236
  396   3HZ   LYS  54          3HZ       LYS  54   2.733  -3.960  -8.581
  397    H    ARG  55           H        ARG  55  -4.374  -4.238  -6.858
  398    HA   ARG  55           HA       ARG  55  -5.987  -4.549  -9.294
  399   1HB   ARG  55          2HB       ARG  55  -6.064  -5.974  -6.921
  400   2HB   ARG  55          1HB       ARG  55  -7.417  -4.861  -6.773
  401   1HG   ARG  55          2HG       ARG  55  -8.402  -6.678  -7.773
  402   2HG   ARG  55          1HG       ARG  55  -8.009  -5.672  -9.168
  403   1HD   ARG  55          2HD       ARG  55  -6.930  -7.425 -10.012
  404   2HD   ARG  55          1HD       ARG  55  -5.729  -7.206  -8.741
  405    HE   ARG  55           HE       ARG  55  -7.645  -8.686  -7.534
  406   1HH1  ARG  55          1HH1      ARG  55  -5.861  -9.050 -10.511
  407   2HH1  ARG  55          2HH1      ARG  55  -5.913 -10.781 -10.477
  408   1HH2  ARG  55          1HH2      ARG  55  -7.715 -10.962  -7.487
  409   2HH2  ARG  55          2HH2      ARG  55  -6.967 -11.867  -8.760
  410    H    ILE  56           H        ILE  56  -4.898  -2.156  -7.391
  411    HA   ILE  56           HA       ILE  56  -7.409  -0.630  -7.470
  412    HB   ILE  56           HB       ILE  56  -4.899  -0.111  -5.879
  413   1HG1  ILE  56          2HG1      ILE  56  -7.643  -1.104  -5.087
  414   2HG1  ILE  56          1HG1      ILE  56  -6.127  -1.994  -4.991
  415   1HG2  ILE  56          1HG2      ILE  56  -5.971   1.976  -6.508
  416   2HG2  ILE  56          2HG2      ILE  56  -6.200   1.669  -4.787
  417   3HG2  ILE  56          3HG2      ILE  56  -7.522   1.380  -5.917
  418   1HD1  ILE  56          1HD1      ILE  56  -5.934  -1.302  -2.904
  419   2HD1  ILE  56          2HD1      ILE  56  -7.340  -0.251  -3.076
  420   3HD1  ILE  56          3HD1      ILE  56  -5.736   0.343  -3.508
  421    H    ASP  57           H        ASP  57  -7.374   1.529  -8.265
  422    HA   ASP  57           HA       ASP  57  -5.137   2.077 -10.105
  423   1HB   ASP  57          2HB       ASP  57  -7.472   1.487 -11.061
  424   2HB   ASP  57          1HB       ASP  57  -7.931   3.102 -10.533
  425    H    PHE  58           H        PHE  58  -4.056   3.301  -8.489
  426    HA   PHE  58           HA       PHE  58  -5.168   5.409  -7.035
  427   1HB   PHE  58          2HB       PHE  58  -2.319   5.253  -8.024
  428   2HB   PHE  58          1HB       PHE  58  -2.907   6.143  -6.625
  429    HD1  PHE  58           1HD      PHE  58  -3.629   4.933  -4.605
  430    HD2  PHE  58           2HD      PHE  58  -1.856   2.926  -7.913
  431    HE1  PHE  58           1HE      PHE  58  -3.178   2.982  -3.174
  432    HE2  PHE  58           2HE      PHE  58  -1.404   0.971  -6.489
  433    HZ   PHE  58           HZ       PHE  58  -2.061   0.997  -4.115
  434    H    ASP  59           H        ASP  59  -4.309   5.205 -10.356
  435    HA   ASP  59           HA       ASP  59  -3.821   7.909 -10.930
  436   1HB   ASP  59          2HB       ASP  59  -5.072   5.829 -12.736
  437   2HB   ASP  59          1HB       ASP  59  -4.304   7.327 -13.251
  438    H    LEU  60           H        LEU  60  -6.764   6.188 -10.305
  439    HA   LEU  60           HA       LEU  60  -8.380   8.400 -11.281
  440   1HB   LEU  60          2HB       LEU  60  -9.474   5.900 -10.045
  441   2HB   LEU  60          1HB       LEU  60 -10.239   6.978 -11.197
  442    HG   LEU  60           HG       LEU  60  -8.005   5.032 -11.768
  443   1HD1  LEU  60          1HD1      LEU  60 -10.653   5.021 -13.123
  444   2HD1  LEU  60          2HD1      LEU  60 -10.532   4.359 -11.492
  445   3HD1  LEU  60          3HD1      LEU  60  -9.546   3.688 -12.792
  446   1HD2  LEU  60          1HD2      LEU  60  -7.465   6.633 -13.286
  447   2HD2  LEU  60          2HD2      LEU  60  -9.085   7.326 -13.300
  448   3HD2  LEU  60          3HD2      LEU  60  -8.755   5.840 -14.190
  449    H    TYR  61           H        TYR  61  -6.692   8.633  -8.907
  450    HA   TYR  61           HA       TYR  61  -8.787   9.454  -7.031
  451   1HB   TYR  61          2HB       TYR  61  -6.335   7.834  -6.329
  452   2HB   TYR  61          1HB       TYR  61  -7.329   8.664  -5.138
  453    HD1  TYR  61           1HD      TYR  61 -10.040   8.116  -6.273
  454    HD2  TYR  61           2HD      TYR  61  -6.661   5.580  -5.779
  455    HE1  TYR  61           1HE      TYR  61 -11.530   6.163  -6.158
  456    HE2  TYR  61           2HE      TYR  61  -8.141   3.620  -5.664
  457    HH   TYR  61           HH       TYR  61 -10.429   3.066  -5.175
  458    H    THR  62           H        THR  62  -5.330   9.595  -7.830
  459    HA   THR  62           HA       THR  62  -4.991  12.096  -6.426
  460    HB   THR  62           HB       THR  62  -2.674  11.986  -7.244
  461    HG1  THR  62           1HG      THR  62  -3.452   9.598  -8.551
  462   1HG2  THR  62          1HG2      THR  62  -2.015  10.433  -5.778
  463   2HG2  THR  62          2HG2      THR  62  -3.010   9.173  -6.509
  464   3HG2  THR  62          3HG2      THR  62  -3.732  10.329  -5.390
  465   1H    SER  63          1HT       SER  63  18.331   3.421  -5.654
  466   2H    SER  63          2HT       SER  63  17.364   2.020  -5.881
  467   3H    SER  63          3HT       SER  63  17.549   2.694  -4.313
  468    HA   SER  63           HA       SER  63  16.229   3.966  -6.618
  469   1HB   SER  63          2HB       SER  63  14.890   2.154  -5.780
  470   2HB   SER  63          1HB       SER  63  15.204   2.620  -4.108
  471    HG   SER  63           HG       SER  63  13.209   3.412  -4.618
  472    H    HIS  64           H        HIS  64  15.514   6.047  -6.288
  473    HA   HIS  64           HA       HIS  64  16.996   7.684  -4.550
  474   1HB   HIS  64          2HB       HIS  64  14.585   8.115  -6.279
  475   2HB   HIS  64          1HB       HIS  64  15.103   9.381  -5.171
  476    HD1  HIS  64           1HD      HIS  64  16.916  10.889  -5.978
  477    HD2  HIS  64           2HD      HIS  64  16.659   7.398  -8.217
  478    HE1  HIS  64           1HE      HIS  64  18.520  11.197  -7.889
  479    HE2  HIS  64           2HE      HIS  64  18.411   9.037  -9.183
  480    H    ARG  65           H        ARG  65  13.509   6.919  -4.461
  481    HA   ARG  65           HA       ARG  65  13.128   8.063  -1.890
  482   1HB   ARG  65          2HB       ARG  65  10.904   7.404  -2.074
  483   2HB   ARG  65          1HB       ARG  65  11.393   7.600  -3.748
  484   1HG   ARG  65          2HG       ARG  65  11.959   4.946  -3.187
  485   2HG   ARG  65          1HG       ARG  65  10.432   5.254  -2.359
  486   1HD   ARG  65          2HD       ARG  65   9.902   4.509  -4.553
  487   2HD   ARG  65          1HD       ARG  65   9.579   6.240  -4.501
  488    HE   ARG  65           HE       ARG  65  11.789   4.919  -5.902
  489   1HH1  ARG  65          1HH1      ARG  65  10.026   7.849  -5.167
  490   2HH1  ARG  65          2HH1      ARG  65  10.758   8.751  -6.448
  491   1HH2  ARG  65          1HH2      ARG  65  12.746   6.113  -7.580
  492   2HH2  ARG  65          2HH2      ARG  65  12.300   7.770  -7.815
  493    HA   PRO  66           HA       PRO  66  14.347   4.818   0.817
  494   1HB   PRO  66          2HB       PRO  66  12.543   5.022   2.824
  495   2HB   PRO  66          1HB       PRO  66  13.813   6.221   2.556
  496   1HG   PRO  66          2HG       PRO  66  10.925   6.311   1.772
  497   2HG   PRO  66          1HG       PRO  66  11.937   7.593   2.461
  498   1HD   PRO  66          2HD       PRO  66  11.360   7.432  -0.191
  499   2HD   PRO  66          1HD       PRO  66  12.876   8.116   0.425
  500    HA   PRO  67           HA       PRO  67  11.785   1.238   0.347
  501   1HB   PRO  67          2HB       PRO  67  12.580  -0.323   2.362
  502   2HB   PRO  67          1HB       PRO  67  13.705   0.171   1.091
  503   1HG   PRO  67          2HG       PRO  67  13.437   1.176   3.881
  504   2HG   PRO  67          1HG       PRO  67  14.893   0.973   2.894
  505   1HD   PRO  67          2HD       PRO  67  13.489   3.370   3.318
  506   2HD   PRO  67          1HD       PRO  67  14.733   3.089   2.088
  507    HA   PRO  68           HA       PRO  68   8.132   1.551   2.851
  508   1HB   PRO  68          2HB       PRO  68   6.870  -0.718   2.143
  509   2HB   PRO  68          1HB       PRO  68   7.064   0.634   1.020
  510   1HG   PRO  68          2HG       PRO  68   8.640  -1.902   1.221
  511   2HG   PRO  68          1HG       PRO  68   8.042  -1.068  -0.225
  512   1HD   PRO  68          2HD       PRO  68  10.615  -0.873   0.675
  513   2HD   PRO  68          1HD       PRO  68   9.802   0.403  -0.253
  514    HA   PRO  69           HA       PRO  69   8.777  -0.587   6.665
  515   1HB   PRO  69          2HB       PRO  69   6.145  -0.960   7.432
  516   2HB   PRO  69          1HB       PRO  69   7.074   0.515   7.695
  517   1HG   PRO  69          2HG       PRO  69   5.080  -0.119   5.572
  518   2HG   PRO  69          1HG       PRO  69   5.368   1.404   6.427
  519   1HD   PRO  69          2HD       PRO  69   6.223   0.989   3.906
  520   2HD   PRO  69          1HD       PRO  69   7.140   1.981   5.058
  521    H    GLY  70           H        GLY  70   7.740  -2.529   7.921
  522   1HA   GLY  70          2HA       GLY  70   7.116  -4.749   7.979
  523   2HA   GLY  70          1HA       GLY  70   6.643  -4.626   6.294
  524    H    HIS  71           H        HIS  71   8.471  -4.531   4.709
  525    HA   HIS  71           HA       HIS  71  10.116  -5.748   3.704
  526   1HB   HIS  71          2HB       HIS  71  12.291  -5.253   4.508
  527   2HB   HIS  71          1HB       HIS  71  11.291  -3.889   4.963
  528    HD1  HIS  71           1HD      HIS  71  12.703  -3.157   6.852
  529    HD2  HIS  71           2HD      HIS  71  11.549  -7.112   7.248
  530    HE1  HIS  71           1HE      HIS  71  13.353  -3.809   9.194
  531    HE2  HIS  71           2HE      HIS  71  12.736  -6.244   9.369
  532    H    ARG  72           H        ARG  72  12.206  -7.271   4.607
  533    HA   ARG  72           HA       ARG  72  11.710  -9.144   6.572
  534   1HB   ARG  72          2HB       ARG  72  10.974 -11.098   5.127
  535   2HB   ARG  72          1HB       ARG  72   9.742  -9.894   5.482
  536   1HG   ARG  72          2HG       ARG  72  10.778  -8.950   3.146
  537   2HG   ARG  72          1HG       ARG  72  10.912 -10.696   2.927
  538   1HD   ARG  72          2HD       ARG  72   8.388 -10.337   4.021
  539   2HD   ARG  72          1HD       ARG  72   8.564  -8.991   2.896
  540    HE   ARG  72           HE       ARG  72   8.284 -11.772   2.242
  541   1HH1  ARG  72          1HH1      ARG  72   9.515  -8.699   1.140
  542   2HH1  ARG  72          2HH1      ARG  72   9.438  -9.127  -0.535
  543   1HH2  ARG  72          1HH2      ARG  72   8.180 -12.337   0.038
  544   2HH2  ARG  72          2HH2      ARG  72   8.679 -11.192  -1.162
  545    H    VAL  73           H        VAL  73  13.475 -10.401   6.837
  546    HA   VAL  73           HA       VAL  73  15.348 -10.627   4.575
  547    HB   VAL  73           HB       VAL  73  17.196 -10.504   6.318
  548   1HG1  VAL  73          1HG1      VAL  73  15.523  -8.047   5.796
  549   2HG1  VAL  73          2HG1      VAL  73  16.783  -8.700   4.748
  550   3HG1  VAL  73          3HG1      VAL  73  17.205  -8.044   6.330
  551   1HG2  VAL  73          1HG2      VAL  73  16.003 -10.806   8.343
  552   2HG2  VAL  73          2HG2      VAL  73  14.881  -9.502   7.960
  553   3HG2  VAL  73          3HG2      VAL  73  16.562  -9.134   8.343
  Start of MODEL    3
    1   1H    ASP   1          1HT       ASP   1  -3.859  14.399  -2.977
    2   2H    ASP   1          2HT       ASP   1  -5.148  13.471  -2.323
    3   3H    ASP   1          3HT       ASP   1  -3.949  12.716  -3.292
    4    HA   ASP   1           HA       ASP   1  -2.338  12.920  -1.696
    5   1HB   ASP   1          2HB       ASP   1  -4.233  14.954  -0.551
    6   2HB   ASP   1          1HB       ASP   1  -2.981  14.233   0.454
    7    H    VAL   2           H        VAL   2  -5.001  11.425  -2.122
    8    HA   VAL   2           HA       VAL   2  -5.886  10.530   0.409
    9    HB   VAL   2           HB       VAL   2  -6.067   9.079  -2.236
   10   1HG1  VAL   2          1HG1      VAL   2  -7.104   8.540   0.458
   11   2HG1  VAL   2          2HG1      VAL   2  -6.826   7.443  -0.894
   12   3HG1  VAL   2          3HG1      VAL   2  -8.295   8.416  -0.836
   13   1HG2  VAL   2          1HG2      VAL   2  -7.219  10.954  -2.782
   14   2HG2  VAL   2          2HG2      VAL   2  -7.562  11.368  -1.103
   15   3HG2  VAL   2          3HG2      VAL   2  -8.507  10.120  -1.914
   16    H    MET   3           H        MET   3  -4.936   9.198   1.806
   17    HA   MET   3           HA       MET   3  -2.495   7.833   1.084
   18   1HB   MET   3          2HB       MET   3  -4.035   7.927   3.682
   19   2HB   MET   3          1HB       MET   3  -2.468   7.157   3.475
   20   1HG   MET   3          2HG       MET   3  -1.352   9.142   3.315
   21   2HG   MET   3          1HG       MET   3  -2.758  10.010   2.701
   22   1HE   MET   3          1HE       MET   3  -0.438  10.306   4.757
   23   2HE   MET   3          2HE       MET   3  -0.813   9.967   6.446
   24   3HE   MET   3          3HE       MET   3  -1.189  11.547   5.760
   25    H    TRP   4           H        TRP   4  -2.151   5.531   1.504
   26    HA   TRP   4           HA       TRP   4  -4.562   3.885   1.504
   27   1HB   TRP   4          2HB       TRP   4  -2.482   3.814  -0.684
   28   2HB   TRP   4          1HB       TRP   4  -3.715   2.579  -0.449
   29    HD1  TRP   4           HD       TRP   4  -3.488   6.369  -1.218
   30    HE1  TRP   4           1HE      TRP   4  -5.535   7.010  -2.643
   31    HE3  TRP   4           3HE      TRP   4  -5.920   1.878  -1.196
   32    HZ2  TRP   4           2HZ      TRP   4  -7.874   5.768  -3.627
   33    HZ3  TRP   4           3HZ      TRP   4  -8.053   1.685  -2.401
   34    HH2  TRP   4           HH       TRP   4  -9.011   3.589  -3.591
   35    H    GLU   5           H        GLU   5  -4.286   2.407   3.011
   36    HA   GLU   5           HA       GLU   5  -1.771   1.724   4.129
   37   1HB   GLU   5          2HB       GLU   5  -4.552   1.152   4.633
   38   2HB   GLU   5          1HB       GLU   5  -3.603  -0.323   4.751
   39   1HG   GLU   5          2HG       GLU   5  -2.509   0.358   6.603
   40   2HG   GLU   5          1HG       GLU   5  -2.514   2.053   6.118
   41    H    TYR   6           H        TYR   6  -1.154  -0.677   4.334
   42    HA   TYR   6           HA       TYR   6  -1.746  -2.425   2.184
   43   1HB   TYR   6          2HB       TYR   6   0.035  -2.214   0.752
   44   2HB   TYR   6          1HB       TYR   6  -0.156  -0.537   1.241
   45    HD1  TYR   6           1HD      TYR   6   1.805  -3.616   1.931
   46    HD2  TYR   6           2HD      TYR   6   1.626   0.622   2.239
   47    HE1  TYR   6           1HE      TYR   6   4.152  -3.577   2.659
   48    HE2  TYR   6           2HE      TYR   6   3.974   0.672   2.969
   49    HH   TYR   6           HH       TYR   6   5.709  -2.205   3.792
   50    H    LYS   7           H        LYS   7  -1.332  -4.448   2.781
   51    HA   LYS   7           HA       LYS   7   0.705  -4.921   4.843
   52   1HB   LYS   7          2HB       LYS   7  -0.773  -6.606   5.871
   53   2HB   LYS   7          1HB       LYS   7  -1.464  -4.991   5.936
   54   1HG   LYS   7          2HG       LYS   7  -2.971  -5.495   4.146
   55   2HG   LYS   7          1HG       LYS   7  -2.190  -7.052   3.868
   56   1HD   LYS   7          2HD       LYS   7  -2.800  -7.483   6.369
   57   2HD   LYS   7          1HD       LYS   7  -3.979  -6.198   6.102
   58   1HE   LYS   7          2HE       LYS   7  -4.375  -7.748   3.908
   59   2HE   LYS   7          1HE       LYS   7  -3.927  -8.961   5.104
   60   1HZ   LYS   7          1HZ       LYS   7  -5.883  -6.963   5.927
   61   2HZ   LYS   7          2HZ       LYS   7  -5.800  -8.611   6.296
   62   3HZ   LYS   7          3HZ       LYS   7  -6.403  -8.110   4.797
   63    H    TRP   8           H        TRP   8   2.130  -6.459   4.314
   64    HA   TRP   8           HA       TRP   8   2.143  -7.693   1.806
   65   1HB   TRP   8          2HB       TRP   8   3.610  -8.559   4.308
   66   2HB   TRP   8          1HB       TRP   8   4.013  -9.031   2.662
   67    HD1  TRP   8           HD       TRP   8   4.659  -6.370   5.202
   68    HE1  TRP   8           1HE      TRP   8   6.146  -4.532   4.187
   69    HE3  TRP   8           3HE      TRP   8   4.411  -7.742   0.281
   70    HZ2  TRP   8           2HZ      TRP   8   7.092  -3.767   1.643
   71    HZ3  TRP   8           3HZ      TRP   8   5.639  -6.404  -1.379
   72    HH2  TRP   8           HH       TRP   8   6.951  -4.457  -0.709
   73    H    GLU   9           H        GLU   9   1.530  -9.142   4.997
   74    HA   GLU   9           HA       GLU   9   0.738 -11.657   3.942
   75   1HB   GLU   9          2HB       GLU   9   0.985 -10.412   6.565
   76   2HB   GLU   9          1HB       GLU   9  -0.415 -11.470   6.461
   77   1HG   GLU   9          2HG       GLU   9   1.078 -13.031   7.070
   78   2HG   GLU   9          1HG       GLU   9   1.423 -13.061   5.341
   79    H    ASN  10           H        ASN  10  -1.311 -12.549   3.709
   80    HA   ASN  10           HA       ASN  10  -3.447 -10.584   3.322
   81   1HB   ASN  10          2HB       ASN  10  -3.288 -13.469   2.417
   82   2HB   ASN  10          1HB       ASN  10  -4.552 -12.320   1.990
   83   1HD2  ASN  10          1HD2      ASN  10  -1.302 -13.343   1.436
   84   2HD2  ASN  10          2HD2      ASN  10  -0.996 -12.341   0.063
   85    H    THR  11           H        THR  11  -2.837 -11.237   5.975
   86    HA   THR  11           HA       THR  11  -4.981 -13.058   6.798
   87    HB   THR  11           HB       THR  11  -3.880 -13.357   8.822
   88    HG1  THR  11           1HG      THR  11  -2.360 -11.881   9.633
   89   1HG2  THR  11          1HG2      THR  11  -2.292 -13.570   6.556
   90   2HG2  THR  11          2HG2      THR  11  -2.015 -14.313   8.132
   91   3HG2  THR  11          3HG2      THR  11  -1.285 -12.754   7.751
   92    H    GLY  12           H        GLY  12  -5.636 -12.172   9.254
   93   1HA   GLY  12          2HA       GLY  12  -6.978  -9.627   8.646
   94   2HA   GLY  12          1HA       GLY  12  -7.530 -10.817   9.813
   95    H    ASP  13           H        ASP  13  -4.400 -10.817  10.460
   96    HA   ASP  13           HA       ASP  13  -4.497  -8.442  12.194
   97   1HB   ASP  13          2HB       ASP  13  -3.432  -9.757  13.986
   98   2HB   ASP  13          1HB       ASP  13  -5.011 -10.403  13.547
   99    H    ALA  14           H        ALA  14  -2.847  -9.976   9.753
  100    HA   ALA  14           HA       ALA  14  -0.170  -9.868  10.389
  101   1HB   ALA  14          1HB       ALA  14  -1.709  -9.584   7.870
  102   2HB   ALA  14          2HB       ALA  14  -0.474 -10.760   8.320
  103   3HB   ALA  14          3HB       ALA  14  -0.005  -9.127   7.846
  104    H    GLU  15           H        GLU  15   1.357  -8.193   9.182
  105    HA   GLU  15           HA       GLU  15   1.321  -5.837  10.638
  106   1HB   GLU  15          2HB       GLU  15   2.620  -6.063   7.933
  107   2HB   GLU  15          1HB       GLU  15   3.147  -5.116   9.317
  108   1HG   GLU  15          2HG       GLU  15   3.393  -7.421  10.478
  109   2HG   GLU  15          1HG       GLU  15   3.390  -8.050   8.831
  110    H    LEU  16           H        LEU  16   0.626  -3.794  10.269
  111    HA   LEU  16           HA       LEU  16  -1.051  -3.374   7.885
  112   1HB   LEU  16          2HB       LEU  16  -1.913  -3.458  10.505
  113   2HB   LEU  16          1HB       LEU  16  -1.750  -1.739  10.199
  114    HG   LEU  16           HG       LEU  16  -4.018  -2.440   9.741
  115   1HD1  LEU  16          1HD1      LEU  16  -2.967  -0.703   8.313
  116   2HD1  LEU  16          2HD1      LEU  16  -4.269  -1.583   7.515
  117   3HD1  LEU  16          3HD1      LEU  16  -2.589  -1.957   7.133
  118   1HD2  LEU  16          1HD2      LEU  16  -2.667  -4.515   8.059
  119   2HD2  LEU  16          2HD2      LEU  16  -4.311  -3.993   7.697
  120   3HD2  LEU  16          3HD2      LEU  16  -3.938  -4.709   9.265
  121    H    TYR  17           H        TYR  17   0.577  -2.341   6.734
  122    HA   TYR  17           HA       TYR  17   1.486   0.237   7.837
  123   1HB   TYR  17          2HB       TYR  17   2.732  -1.489   5.683
  124   2HB   TYR  17          1HB       TYR  17   3.328   0.091   6.169
  125    HD1  TYR  17           1HD      TYR  17   3.860   0.333   8.740
  126    HD2  TYR  17           2HD      TYR  17   3.659  -3.370   6.657
  127    HE1  TYR  17           1HE      TYR  17   5.250  -0.712  10.477
  128    HE2  TYR  17           2HE      TYR  17   5.047  -4.426   8.389
  129    HH   TYR  17           HH       TYR  17   5.487  -3.350  11.305
  130    H    GLY  18           H        GLY  18   2.303   1.395   5.422
  131   1HA   GLY  18          2HA       GLY  18   1.530   2.236   3.394
  132   2HA   GLY  18          1HA       GLY  18   0.038   1.358   3.631
  133    HA   PRO  19           HA       PRO  19  -1.226   5.106   6.034
  134   1HB   PRO  19          2HB       PRO  19   0.279   6.192   7.959
  135   2HB   PRO  19          1HB       PRO  19  -0.534   4.639   8.202
  136   1HG   PRO  19          2HG       PRO  19   2.324   5.190   7.499
  137   2HG   PRO  19          1HG       PRO  19   1.664   4.030   8.667
  138   1HD   PRO  19          2HD       PRO  19   2.468   3.361   6.132
  139   2HD   PRO  19          1HD       PRO  19   1.250   2.462   7.056
  140    H    PHE  20           H        PHE  20   0.814   5.235   3.810
  141    HA   PHE  20           HA       PHE  20   1.703   8.015   4.037
  142   1HB   PHE  20          2HB       PHE  20   2.485   6.312   1.725
  143   2HB   PHE  20          1HB       PHE  20   3.415   7.532   2.589
  144    HD1  PHE  20           1HD      PHE  20   4.813   6.950   4.416
  145    HD2  PHE  20           2HD      PHE  20   2.231   4.043   2.681
  146    HE1  PHE  20           1HE      PHE  20   5.976   5.174   5.663
  147    HE2  PHE  20           2HE      PHE  20   3.392   2.265   3.928
  148    HZ   PHE  20           HZ       PHE  20   5.263   2.834   5.418
  149    H    THR  21           H        THR  21   1.643   9.241   1.916
  150    HA   THR  21           HA       THR  21  -1.070   9.401   1.044
  151    HB   THR  21           HB       THR  21  -0.175  11.165  -0.507
  152    HG1  THR  21           1HG      THR  21   1.879  10.664  -0.902
  153   1HG2  THR  21          1HG2      THR  21  -0.821  11.574   1.936
  154   2HG2  THR  21          2HG2      THR  21   0.160  12.787   1.114
  155   3HG2  THR  21          3HG2      THR  21   0.916  11.652   2.233
  156    H    SER  22           H        SER  22  -1.898   9.099  -1.071
  157    HA   SER  22           HA       SER  22  -1.267   6.749  -2.349
  158   1HB   SER  22          2HB       SER  22  -3.325   7.655  -2.978
  159   2HB   SER  22          1HB       SER  22  -2.639   9.250  -3.291
  160    HG   SER  22           HG       SER  22  -2.018   8.620  -5.237
  161    H    ALA  23           H        ALA  23   0.220   9.863  -2.653
  162    HA   ALA  23           HA       ALA  23   1.607   9.500  -5.073
  163   1HB   ALA  23          1HB       ALA  23   2.836  11.099  -2.894
  164   2HB   ALA  23          2HB       ALA  23   1.246  11.593  -3.479
  165   3HB   ALA  23          3HB       ALA  23   2.606  11.496  -4.598
  166    H    GLN  24           H        GLN  24   2.529   8.912  -1.695
  167    HA   GLN  24           HA       GLN  24   5.106   7.880  -2.373
  168   1HB   GLN  24          2HB       GLN  24   4.275   8.946  -0.138
  169   2HB   GLN  24          1HB       GLN  24   3.741   7.312   0.233
  170   1HG   GLN  24          2HG       GLN  24   5.884   7.604   1.202
  171   2HG   GLN  24          1HG       GLN  24   6.072   6.535  -0.187
  172   1HE2  GLN  24          1HE2      GLN  24   8.057   6.916  -0.902
  173   2HE2  GLN  24          2HE2      GLN  24   8.695   8.469  -1.310
  174    H    MET  25           H        MET  25   1.949   6.537  -1.783
  175    HA   MET  25           HA       MET  25   2.802   3.815  -1.623
  176   1HB   MET  25          2HB       MET  25   0.161   5.200  -1.906
  177   2HB   MET  25          1HB       MET  25   0.260   3.469  -2.202
  178   1HG   MET  25          2HG       MET  25   1.027   4.888   0.339
  179   2HG   MET  25          1HG       MET  25  -0.426   3.926   0.074
  180   1HE   MET  25          1HE       MET  25   1.558   1.513  -1.813
  181   2HE   MET  25          2HE       MET  25  -0.073   1.551  -1.143
  182   3HE   MET  25          3HE       MET  25   1.101   0.379  -0.543
  183    H    GLN  26           H        GLN  26   1.426   5.854  -4.168
  184    HA   GLN  26           HA       GLN  26   1.228   3.901  -6.166
  185   1HB   GLN  26          2HB       GLN  26   0.161   6.091  -6.360
  186   2HB   GLN  26          1HB       GLN  26   1.733   6.874  -6.422
  187   1HG   GLN  26          2HG       GLN  26   0.606   6.646  -8.621
  188   2HG   GLN  26          1HG       GLN  26   2.211   5.922  -8.547
  189   1HE2  GLN  26          1HE2      GLN  26   2.008   4.390 -10.081
  190   2HE2  GLN  26          2HE2      GLN  26   0.876   3.085 -10.016
  191    H    THR  27           H        THR  27   3.902   6.006  -5.211
  192    HA   THR  27           HA       THR  27   5.652   5.387  -7.315
  193    HB   THR  27           HB       THR  27   6.444   6.029  -4.470
  194    HG1  THR  27           1HG      THR  27   6.190   8.152  -4.990
  195   1HG2  THR  27          1HG2      THR  27   7.822   6.553  -7.091
  196   2HG2  THR  27          2HG2      THR  27   8.343   5.439  -5.827
  197   3HG2  THR  27          3HG2      THR  27   8.341   7.177  -5.525
  198    H    TRP  28           H        TRP  28   5.418   3.986  -4.048
  199    HA   TRP  28           HA       TRP  28   7.392   2.020  -4.414
  200   1HB   TRP  28          2HB       TRP  28   5.077   2.312  -2.518
  201   2HB   TRP  28          1HB       TRP  28   6.089   0.873  -2.498
  202    HD1  TRP  28           HD       TRP  28   8.933   2.214  -2.857
  203    HE1  TRP  28           1HE      TRP  28   9.932   3.627  -0.950
  204    HE3  TRP  28           3HE      TRP  28   4.626   3.355  -0.356
  205    HZ2  TRP  28           2HZ      TRP  28   9.012   5.040   1.314
  206    HZ3  TRP  28           3HZ      TRP  28   4.770   4.744   1.670
  207    HH2  TRP  28           HH       TRP  28   6.918   5.567   2.488
  208    H    VAL  29           H        VAL  29   3.880   1.945  -4.852
  209    HA   VAL  29           HA       VAL  29   3.718  -0.802  -5.516
  210    HB   VAL  29           HB       VAL  29   1.833   1.455  -6.215
  211   1HG1  VAL  29          1HG1      VAL  29   1.710  -1.479  -6.641
  212   2HG1  VAL  29          2HG1      VAL  29   1.061  -0.163  -7.620
  213   3HG1  VAL  29          3HG1      VAL  29   0.231  -0.656  -6.143
  214   1HG2  VAL  29          1HG2      VAL  29   0.757   1.120  -4.216
  215   2HG2  VAL  29          2HG2      VAL  29   2.425   0.803  -3.743
  216   3HG2  VAL  29          3HG2      VAL  29   1.329  -0.541  -4.061
  217    H    SER  30           H        SER  30   4.309   2.100  -7.395
  218    HA   SER  30           HA       SER  30   4.134   0.655  -9.912
  219   1HB   SER  30          2HB       SER  30   3.266   2.851 -10.053
  220   2HB   SER  30          1HB       SER  30   4.649   3.541  -9.205
  221    HG   SER  30           HG       SER  30   5.682   3.658 -11.030
  222    H    GLU  31           H        GLU  31   6.587   2.167  -7.869
  223    HA   GLU  31           HA       GLU  31   8.798   2.023  -9.511
  224   1HB   GLU  31          2HB       GLU  31   8.845   3.088  -7.315
  225   2HB   GLU  31          1HB       GLU  31   8.663   1.525  -6.532
  226   1HG   GLU  31          2HG       GLU  31  10.966   1.931  -8.364
  227   2HG   GLU  31          1HG       GLU  31  11.008   2.682  -6.769
  228    H    GLY  32           H        GLY  32   7.125  -0.557  -7.870
  229   1HA   GLY  32          2HA       GLY  32   7.314  -2.785  -8.824
  230   2HA   GLY  32          1HA       GLY  32   9.019  -2.460  -9.092
  231    H    TYR  33           H        TYR  33   8.196  -1.209  -6.126
  232    HA   TYR  33           HA       TYR  33   9.787  -2.938  -4.652
  233   1HB   TYR  33          2HB       TYR  33   8.046  -0.698  -4.115
  234   2HB   TYR  33          1HB       TYR  33   7.885  -1.914  -2.851
  235    HD1  TYR  33           1HD      TYR  33  10.097  -2.794  -1.816
  236    HD2  TYR  33           2HD      TYR  33   9.802   0.825  -4.034
  237    HE1  TYR  33           1HE      TYR  33  12.176  -1.992  -0.774
  238    HE2  TYR  33           2HE      TYR  33  11.879   1.636  -2.998
  239    HH   TYR  33           HH       TYR  33  13.982   0.455  -1.920
  240    H    PHE  34           H        PHE  34   6.346  -3.083  -5.345
  241    HA   PHE  34           HA       PHE  34   6.153  -5.571  -3.790
  242   1HB   PHE  34          2HB       PHE  34   3.780  -4.159  -4.969
  243   2HB   PHE  34          1HB       PHE  34   3.850  -5.225  -3.573
  244    HD1  PHE  34           1HD      PHE  34   6.350  -3.717  -2.403
  245    HD2  PHE  34           2HD      PHE  34   2.518  -2.488  -3.786
  246    HE1  PHE  34           1HE      PHE  34   6.447  -1.758  -0.918
  247    HE2  PHE  34           2HE      PHE  34   2.609  -0.528  -2.304
  248    HZ   PHE  34           HZ       PHE  34   4.575  -0.159  -0.870
  249    HA   PRO  35           HA       PRO  35   6.428  -6.966  -8.210
  250   1HB   PRO  35          2HB       PRO  35   7.688  -9.312  -7.564
  251   2HB   PRO  35          1HB       PRO  35   8.535  -7.803  -7.919
  252   1HG   PRO  35          2HG       PRO  35   7.855  -9.017  -5.271
  253   2HG   PRO  35          1HG       PRO  35   9.354  -8.222  -5.787
  254   1HD   PRO  35          2HD       PRO  35   7.525  -6.959  -4.271
  255   2HD   PRO  35          1HD       PRO  35   8.474  -6.101  -5.501
  256    H    ASP  36           H        ASP  36   5.103  -8.236  -5.287
  257    HA   ASP  36           HA       ASP  36   3.500 -10.159  -6.827
  258   1HB   ASP  36          2HB       ASP  36   4.877 -11.241  -5.136
  259   2HB   ASP  36          1HB       ASP  36   4.233 -10.170  -3.895
  260    H    GLY  37           H        GLY  37   3.389  -7.222  -5.148
  261   1HA   GLY  37          2HA       GLY  37   1.504  -5.826  -5.043
  262   2HA   GLY  37          1HA       GLY  37   0.476  -7.231  -5.293
  263    H    VAL  38           H        VAL  38  -0.037  -5.280  -3.344
  264    HA   VAL  38           HA       VAL  38   0.212  -6.927  -0.934
  265    HB   VAL  38           HB       VAL  38   0.495  -4.822   0.412
  266   1HG1  VAL  38          1HG1      VAL  38   2.867  -5.024  -1.363
  267   2HG1  VAL  38          2HG1      VAL  38   2.336  -6.481  -0.523
  268   3HG1  VAL  38          3HG1      VAL  38   2.765  -5.039   0.398
  269   1HG2  VAL  38          1HG2      VAL  38   1.338  -2.837  -0.677
  270   2HG2  VAL  38          2HG2      VAL  38  -0.228  -3.263  -1.369
  271   3HG2  VAL  38          3HG2      VAL  38   1.255  -3.627  -2.251
  272    H    TYR  39           H        TYR  39  -1.363  -6.363   0.746
  273    HA   TYR  39           HA       TYR  39  -3.950  -5.894  -0.420
  274   1HB   TYR  39          2HB       TYR  39  -2.870  -7.079   1.993
  275   2HB   TYR  39          1HB       TYR  39  -4.205  -5.998   2.369
  276    HD1  TYR  39           1HD      TYR  39  -3.615  -8.274  -0.527
  277    HD2  TYR  39           2HD      TYR  39  -6.064  -7.311   2.816
  278    HE1  TYR  39           1HE      TYR  39  -5.204 -10.028  -1.194
  279    HE2  TYR  39           2HE      TYR  39  -7.659  -9.064   2.159
  280    HH   TYR  39           HH       TYR  39  -7.153 -11.470   0.461
  281    H    CYS  40           H        CYS  40  -3.837  -3.720  -1.079
  282    HA   CYS  40           HA       CYS  40  -3.383  -1.705   0.965
  283   1HB   CYS  40          2HB       CYS  40  -3.604  -1.649  -2.020
  284   2HB   CYS  40          1HB       CYS  40  -3.798  -0.163  -1.098
  285    HG   CYS  40           HG       CYS  40  -1.335  -0.164  -1.542
  286    H    ARG  41           H        ARG  41  -4.811   0.117   1.186
  287    HA   ARG  41           HA       ARG  41  -7.427   0.240   0.239
  288   1HB   ARG  41          2HB       ARG  41  -8.778  -0.703   1.894
  289   2HB   ARG  41          1HB       ARG  41  -7.504  -1.891   1.691
  290   1HG   ARG  41          2HG       ARG  41  -7.116  -1.812   3.861
  291   2HG   ARG  41          1HG       ARG  41  -6.631  -0.128   3.706
  292   1HD   ARG  41          2HD       ARG  41  -9.250  -1.289   4.539
  293   2HD   ARG  41          1HD       ARG  41  -8.313   0.007   5.278
  294    HE   ARG  41           HE       ARG  41  -9.082   1.010   2.857
  295   1HH1  ARG  41          1HH1      ARG  41 -10.752  -0.332   5.609
  296   2HH1  ARG  41          2HH1      ARG  41 -12.186   0.603   5.353
  297   1HH2  ARG  41          1HH2      ARG  41 -10.967   2.242   2.518
  298   2HH2  ARG  41          2HH2      ARG  41 -12.309   2.062   3.599
  299    H    LYS  42           H        LYS  42  -8.412   2.146   0.857
  300    HA   LYS  42           HA       LYS  42  -6.872   4.227   1.776
  301   1HB   LYS  42          2HB       LYS  42  -9.871   4.015   2.066
  302   2HB   LYS  42          1HB       LYS  42  -8.919   5.481   1.945
  303   1HG   LYS  42          2HG       LYS  42  -8.221   4.724  -0.346
  304   2HG   LYS  42          1HG       LYS  42  -9.436   3.452  -0.201
  305   1HD   LYS  42          2HD       LYS  42 -10.905   5.610   0.486
  306   2HD   LYS  42          1HD       LYS  42  -9.760   6.351  -0.634
  307   1HE   LYS  42          2HE       LYS  42 -11.312   5.699  -2.151
  308   2HE   LYS  42          1HE       LYS  42 -10.404   4.191  -2.064
  309   1HZ   LYS  42          1HZ       LYS  42 -12.887   4.822  -0.559
  310   2HZ   LYS  42          2HZ       LYS  42 -12.004   3.384  -0.426
  311   3HZ   LYS  42          3HZ       LYS  42 -12.763   3.778  -1.885
  312    H    LEU  43           H        LEU  43  -6.336   5.059   3.698
  313    HA   LEU  43           HA       LEU  43  -6.484   3.527   6.032
  314   1HB   LEU  43          2HB       LEU  43  -6.106   6.506   6.028
  315   2HB   LEU  43          1HB       LEU  43  -5.439   5.327   7.140
  316    HG   LEU  43           HG       LEU  43  -4.636   5.671   4.249
  317   1HD1  LEU  43          1HD1      LEU  43  -3.833   7.494   5.573
  318   2HD1  LEU  43          2HD1      LEU  43  -2.490   6.399   5.246
  319   3HD1  LEU  43          3HD1      LEU  43  -3.268   6.393   6.828
  320   1HD2  LEU  43          1HD2      LEU  43  -3.042   3.975   4.569
  321   2HD2  LEU  43          2HD2      LEU  43  -4.541   3.326   5.234
  322   3HD2  LEU  43          3HD2      LEU  43  -3.294   3.951   6.314
  323    H    ASP  44           H        ASP  44  -8.579   6.047   4.794
  324    HA   ASP  44           HA       ASP  44 -10.296   5.724   7.168
  325   1HB   ASP  44          2HB       ASP  44  -9.234   8.024   6.649
  326   2HB   ASP  44          1HB       ASP  44 -10.405   8.107   5.337
  327    HA   PRO  45           HA       PRO  45 -12.007   5.016   7.877
  328   1HB   PRO  45          2HB       PRO  45 -13.341   2.669   7.944
  329   2HB   PRO  45          1HB       PRO  45 -14.169   4.220   7.754
  330   1HG   PRO  45          2HG       PRO  45 -13.418   2.206   5.667
  331   2HG   PRO  45          1HG       PRO  45 -14.938   3.099   5.864
  332   1HD   PRO  45          2HD       PRO  45 -13.024   3.831   4.085
  333   2HD   PRO  45          1HD       PRO  45 -14.095   5.002   4.882
  334    HA   PRO  46           HA       PRO  46  -8.572   2.194   7.960
  335   1HB   PRO  46          2HB       PRO  46  -8.177   2.042  10.601
  336   2HB   PRO  46          1HB       PRO  46  -7.888   3.542   9.713
  337   1HG   PRO  46          2HG       PRO  46 -10.218   2.765  11.415
  338   2HG   PRO  46          1HG       PRO  46  -9.390   4.328  11.292
  339   1HD   PRO  46          2HD       PRO  46 -11.760   3.687  10.013
  340   2HD   PRO  46          1HD       PRO  46 -10.652   4.977   9.507
  341    H    GLY  47           H        GLY  47  -8.645   0.069   7.568
  342   1HA   GLY  47          2HA       GLY  47  -8.911  -2.188   8.040
  343   2HA   GLY  47          1HA       GLY  47  -9.730  -1.752   9.531
  344    H    GLY  48           H        GLY  48 -10.095  -2.576   6.193
  345   1HA   GLY  48          2HA       GLY  48 -12.876  -3.199   6.622
  346   2HA   GLY  48          1HA       GLY  48 -12.629  -1.847   5.529
  347    H    GLN  49           H        GLN  49 -13.467  -2.894   3.748
  348    HA   GLN  49           HA       GLN  49 -12.676  -5.480   2.913
  349   1HB   GLN  49          2HB       GLN  49 -14.350  -3.325   1.908
  350   2HB   GLN  49          1HB       GLN  49 -13.485  -4.148   0.620
  351   1HG   GLN  49          2HG       GLN  49 -14.709  -6.009   0.810
  352   2HG   GLN  49          1HG       GLN  49 -14.734  -5.936   2.572
  353   1HE2  GLN  49          1HE2      GLN  49 -16.150  -4.201   3.489
  354   2HE2  GLN  49          2HE2      GLN  49 -17.675  -3.937   2.720
  355    H    PHE  50           H        PHE  50 -10.358  -5.157   3.246
  356    HA   PHE  50           HA       PHE  50  -8.638  -3.495   1.951
  357   1HB   PHE  50          2HB       PHE  50  -8.473  -6.232   2.995
  358   2HB   PHE  50          1HB       PHE  50  -7.290  -5.879   1.739
  359    HD1  PHE  50           1HD      PHE  50  -5.773  -3.886   2.041
  360    HD2  PHE  50           2HD      PHE  50  -8.182  -5.455   5.180
  361    HE1  PHE  50           1HE      PHE  50  -4.353  -2.745   3.695
  362    HE2  PHE  50           2HE      PHE  50  -6.767  -4.316   6.840
  363    HZ   PHE  50           HZ       PHE  50  -4.850  -2.958   6.097
  364    H    TYR  51           H        TYR  51  -7.274  -3.789   0.030
  365    HA   TYR  51           HA       TYR  51  -8.348  -5.469  -2.083
  366   1HB   TYR  51          2HB       TYR  51  -9.227  -2.833  -1.867
  367   2HB   TYR  51          1HB       TYR  51  -7.980  -2.771  -3.108
  368    HD1  TYR  51           1HD      TYR  51  -8.403  -3.572  -5.287
  369    HD2  TYR  51           2HD      TYR  51 -11.150  -4.441  -2.157
  370    HE1  TYR  51           1HE      TYR  51 -10.006  -4.433  -6.940
  371    HE2  TYR  51           2HE      TYR  51 -12.761  -5.306  -3.802
  372    HH   TYR  51           HH       TYR  51 -12.961  -4.695  -6.676
  373    H    ASN  52           H        ASN  52  -6.756  -6.238  -3.324
  374    HA   ASN  52           HA       ASN  52  -4.071  -5.823  -2.781
  375   1HB   ASN  52          2HB       ASN  52  -5.005  -7.768  -4.026
  376   2HB   ASN  52          1HB       ASN  52  -5.237  -6.722  -5.424
  377   1HD2  ASN  52          1HD2      ASN  52  -2.588  -7.116  -3.099
  378   2HD2  ASN  52          2HD2      ASN  52  -1.366  -7.417  -4.284
  379    H    SER  53           H        SER  53  -2.703  -4.220  -3.209
  380    HA   SER  53           HA       SER  53  -3.386  -1.817  -4.378
  381   1HB   SER  53          2HB       SER  53  -1.209  -2.688  -3.050
  382   2HB   SER  53          1HB       SER  53  -0.552  -2.639  -4.685
  383    HG   SER  53           HG       SER  53  -1.483  -0.431  -4.732
  384    H    LYS  54           H        LYS  54  -2.115  -4.716  -5.877
  385    HA   LYS  54           HA       LYS  54  -1.534  -3.557  -8.402
  386   1HB   LYS  54          2HB       LYS  54  -0.955  -5.930  -7.249
  387   2HB   LYS  54          1HB       LYS  54  -2.279  -6.419  -8.298
  388   1HG   LYS  54          2HG       LYS  54  -1.076  -6.136 -10.180
  389   2HG   LYS  54          1HG       LYS  54  -0.208  -4.737  -9.545
  390   1HD   LYS  54          2HD       LYS  54   1.374  -6.504  -9.821
  391   2HD   LYS  54          1HD       LYS  54   1.090  -6.308  -8.091
  392   1HE   LYS  54          2HE       LYS  54   0.195  -8.357  -7.886
  393   2HE   LYS  54          1HE       LYS  54  -0.708  -8.218  -9.395
  394   1HZ   LYS  54          1HZ       LYS  54   1.971  -9.280  -8.919
  395   2HZ   LYS  54          2HZ       LYS  54   1.716  -8.461 -10.376
  396   3HZ   LYS  54          3HZ       LYS  54   0.772  -9.810  -9.989
  397    H    ARG  55           H        ARG  55  -4.473  -4.208  -6.873
  398    HA   ARG  55           HA       ARG  55  -5.878  -4.409  -9.446
  399   1HB   ARG  55          2HB       ARG  55  -6.146  -6.021  -7.271
  400   2HB   ARG  55          1HB       ARG  55  -7.424  -4.849  -6.979
  401   1HG   ARG  55          2HG       ARG  55  -8.570  -6.397  -8.191
  402   2HG   ARG  55          1HG       ARG  55  -8.006  -5.350  -9.495
  403   1HD   ARG  55          2HD       ARG  55  -5.919  -7.065  -9.265
  404   2HD   ARG  55          1HD       ARG  55  -7.264  -8.118  -8.826
  405    HE   ARG  55           HE       ARG  55  -8.059  -6.820 -11.115
  406   1HH1  ARG  55          1HH1      ARG  55  -5.418  -8.909 -10.199
  407   2HH1  ARG  55          2HH1      ARG  55  -5.237  -9.584 -11.784
  408   1HH2  ARG  55          1HH2      ARG  55  -7.824  -7.706 -13.201
  409   2HH2  ARG  55          2HH2      ARG  55  -6.602  -8.901 -13.488
  410    H    ILE  56           H        ILE  56  -4.949  -2.096  -7.375
  411    HA   ILE  56           HA       ILE  56  -7.473  -0.604  -7.466
  412    HB   ILE  56           HB       ILE  56  -4.930  -0.032  -5.938
  413   1HG1  ILE  56          2HG1      ILE  56  -7.653  -1.046  -5.110
  414   2HG1  ILE  56          1HG1      ILE  56  -6.105  -1.869  -4.944
  415   1HG2  ILE  56          1HG2      ILE  56  -5.966   2.053  -6.567
  416   2HG2  ILE  56          2HG2      ILE  56  -6.239   1.763  -4.849
  417   3HG2  ILE  56          3HG2      ILE  56  -7.537   1.480  -6.010
  418   1HD1  ILE  56          1HD1      ILE  56  -7.421  -0.083  -3.137
  419   2HD1  ILE  56          2HD1      ILE  56  -5.831   0.546  -3.565
  420   3HD1  ILE  56          3HD1      ILE  56  -5.984  -1.075  -2.887
  421    H    ASP  57           H        ASP  57  -7.503   1.568  -8.239
  422    HA   ASP  57           HA       ASP  57  -5.377   2.138 -10.196
  423   1HB   ASP  57          2HB       ASP  57  -7.790   1.582 -10.989
  424   2HB   ASP  57          1HB       ASP  57  -8.175   3.208 -10.433
  425    H    PHE  58           H        PHE  58  -4.201   3.301  -8.591
  426    HA   PHE  58           HA       PHE  58  -5.176   5.393  -7.037
  427   1HB   PHE  58          2HB       PHE  58  -2.415   5.088  -8.234
  428   2HB   PHE  58          1HB       PHE  58  -2.836   6.165  -6.906
  429    HD1  PHE  58           1HD      PHE  58  -2.444   2.648  -7.912
  430    HD2  PHE  58           2HD      PHE  58  -3.095   5.347  -4.687
  431    HE1  PHE  58           1HE      PHE  58  -1.994   0.836  -6.310
  432    HE2  PHE  58           2HE      PHE  58  -2.646   3.540  -3.079
  433    HZ   PHE  58           HZ       PHE  58  -2.094   1.280  -3.890
  434    H    ASP  59           H        ASP  59  -4.545   5.266 -10.417
  435    HA   ASP  59           HA       ASP  59  -4.112   8.001 -10.932
  436   1HB   ASP  59          2HB       ASP  59  -4.565   5.592 -12.471
  437   2HB   ASP  59          1HB       ASP  59  -5.433   6.955 -13.172
  438    H    LEU  60           H        LEU  60  -6.965   6.263 -10.103
  439    HA   LEU  60           HA       LEU  60  -8.694   8.393 -11.069
  440   1HB   LEU  60          2HB       LEU  60  -9.606   5.915  -9.645
  441   2HB   LEU  60          1HB       LEU  60 -10.521   6.944 -10.731
  442    HG   LEU  60           HG       LEU  60  -8.274   5.093 -11.521
  443   1HD1  LEU  60          1HD1      LEU  60 -10.373   4.212 -12.890
  444   2HD1  LEU  60          2HD1      LEU  60 -11.226   4.869 -11.493
  445   3HD1  LEU  60          3HD1      LEU  60  -9.990   3.631 -11.269
  446   1HD2  LEU  60          1HD2      LEU  60  -8.067   6.683 -13.135
  447   2HD2  LEU  60          2HD2      LEU  60  -9.733   7.235 -12.961
  448   3HD2  LEU  60          3HD2      LEU  60  -9.384   5.746 -13.839
  449    H    TYR  61           H        TYR  61  -6.844   8.777  -8.836
  450    HA   TYR  61           HA       TYR  61  -8.810   9.686  -6.870
  451   1HB   TYR  61          2HB       TYR  61  -6.343   8.057  -6.253
  452   2HB   TYR  61          1HB       TYR  61  -7.231   8.969  -5.038
  453    HD1  TYR  61           1HD      TYR  61  -7.242   6.019  -7.186
  454    HD2  TYR  61           2HD      TYR  61  -9.467   8.264  -4.339
  455    HE1  TYR  61           1HE      TYR  61  -8.762   4.110  -6.879
  456    HE2  TYR  61           2HE      TYR  61 -10.991   6.362  -4.022
  457    HH   TYR  61           HH       TYR  61 -11.157   3.769  -6.109
  458    H    THR  62           H        THR  62  -5.272   9.639  -7.344
  459    HA   THR  62           HA       THR  62  -5.095  12.394  -6.461
  460    HB   THR  62           HB       THR  62  -3.407  10.740  -5.753
  461    HG1  THR  62           1HG      THR  62  -2.292  12.503  -5.654
  462   1HG2  THR  62          1HG2      THR  62  -2.431  10.741  -8.593
  463   2HG2  THR  62          2HG2      THR  62  -3.355   9.426  -7.868
  464   3HG2  THR  62          3HG2      THR  62  -1.770   9.850  -7.223
  465   1H    SER  63          1HT       SER  63  15.128  11.038  -8.004
  466   2H    SER  63          2HT       SER  63  15.210  10.314  -9.559
  467   3H    SER  63          3HT       SER  63  16.494  10.096  -8.439
  468    HA   SER  63           HA       SER  63  13.786   9.264  -7.746
  469   1HB   SER  63          2HB       SER  63  15.648   8.033  -9.735
  470   2HB   SER  63          1HB       SER  63  14.736   6.962  -8.672
  471    HG   SER  63           HG       SER  63  13.616   8.981 -10.323
  472    H    HIS  64           H        HIS  64  14.532   9.737  -5.612
  473    HA   HIS  64           HA       HIS  64  16.306   7.648  -4.558
  474   1HB   HIS  64          2HB       HIS  64  17.263   9.341  -2.976
  475   2HB   HIS  64          1HB       HIS  64  17.703   9.602  -4.660
  476    HD1  HIS  64           1HD      HIS  64  16.225  11.266  -1.778
  477    HD2  HIS  64           2HD      HIS  64  16.167  11.757  -5.904
  478    HE1  HIS  64           1HE      HIS  64  15.387  13.606  -2.165
  479    HE2  HIS  64           2HE      HIS  64  15.275  13.848  -4.671
  480    H    ARG  65           H        ARG  65  13.875   6.991  -4.326
  481    HA   ARG  65           HA       ARG  65  12.537   8.199  -2.067
  482   1HB   ARG  65          2HB       ARG  65  10.679   6.999  -2.677
  483   2HB   ARG  65          1HB       ARG  65  11.507   7.085  -4.223
  484   1HG   ARG  65          2HG       ARG  65  12.551   4.799  -3.262
  485   2HG   ARG  65          1HG       ARG  65  10.965   4.772  -2.487
  486   1HD   ARG  65          2HD       ARG  65  11.039   3.625  -4.697
  487   2HD   ARG  65          1HD       ARG  65   9.855   4.927  -4.598
  488    HE   ARG  65           HE       ARG  65  11.033   6.082  -6.189
  489   1HH1  ARG  65          1HH1      ARG  65  13.007   3.467  -4.989
  490   2HH1  ARG  65          2HH1      ARG  65  14.230   3.669  -6.200
  491   1HH2  ARG  65          1HH2      ARG  65  12.636   6.347  -7.782
  492   2HH2  ARG  65          2HH2      ARG  65  14.020   5.304  -7.784
  493    HA   PRO  66           HA       PRO  66  14.140   5.493   1.023
  494   1HB   PRO  66          2HB       PRO  66  12.203   5.627   2.876
  495   2HB   PRO  66          1HB       PRO  66  13.226   7.017   2.495
  496   1HG   PRO  66          2HG       PRO  66  10.437   6.411   1.595
  497   2HG   PRO  66          1HG       PRO  66  11.133   7.954   2.119
  498   1HD   PRO  66          2HD       PRO  66  10.781   7.246  -0.511
  499   2HD   PRO  66          1HD       PRO  66  12.008   8.397   0.049
  500    HA   PRO  67           HA       PRO  67  12.188   1.525   0.804
  501   1HB   PRO  67          2HB       PRO  67  13.068   0.328   3.024
  502   2HB   PRO  67          1HB       PRO  67  14.185   0.851   1.760
  503   1HG   PRO  67          2HG       PRO  67  13.610   2.080   4.406
  504   2HG   PRO  67          1HG       PRO  67  15.129   2.026   3.497
  505   1HD   PRO  67          2HD       PRO  67  13.312   4.180   3.615
  506   2HD   PRO  67          1HD       PRO  67  14.675   4.010   2.496
  507    HA   PRO  68           HA       PRO  68   8.327   1.811   3.058
  508   1HB   PRO  68          2HB       PRO  68   7.183  -0.458   2.132
  509   2HB   PRO  68          1HB       PRO  68   7.336   0.999   1.142
  510   1HG   PRO  68          2HG       PRO  68   9.040  -1.464   1.164
  511   2HG   PRO  68          1HG       PRO  68   8.426  -0.541  -0.221
  512   1HD   PRO  68          2HD       PRO  68  10.963  -0.281   0.713
  513   2HD   PRO  68          1HD       PRO  68  10.076   1.056  -0.048
  514    HA   PRO  69           HA       PRO  69   8.884  -0.670   6.673
  515   1HB   PRO  69          2HB       PRO  69   6.287  -1.047   7.450
  516   2HB   PRO  69          1HB       PRO  69   7.186   0.449   7.714
  517   1HG   PRO  69          2HG       PRO  69   5.198  -0.218   5.588
  518   2HG   PRO  69          1HG       PRO  69   5.411   1.289   6.493
  519   1HD   PRO  69          2HD       PRO  69   6.303   0.978   3.960
  520   2HD   PRO  69          1HD       PRO  69   7.142   2.001   5.142
  521    H    GLY  70           H        GLY  70   7.843  -2.698   7.760
  522   1HA   GLY  70          2HA       GLY  70   7.327  -4.933   7.654
  523   2HA   GLY  70          1HA       GLY  70   6.631  -4.641   6.069
  524    H    HIS  71           H        HIS  71   8.144  -4.473   4.248
  525    HA   HIS  71           HA       HIS  71   9.619  -5.605   2.920
  526   1HB   HIS  71          2HB       HIS  71  11.883  -5.023   3.346
  527   2HB   HIS  71          1HB       HIS  71  10.910  -3.714   3.984
  528    HD1  HIS  71           1HD      HIS  71  12.589  -2.928   5.617
  529    HD2  HIS  71           2HD      HIS  71  11.692  -6.932   6.148
  530    HE1  HIS  71           1HE      HIS  71  13.658  -3.563   7.805
  531    HE2  HIS  71           2HE      HIS  71  13.027  -5.979   8.142
  532    H    ARG  72           H        ARG  72  11.943  -7.011   3.434
  533    HA   ARG  72           HA       ARG  72  11.888  -8.959   5.377
  534   1HB   ARG  72          2HB       ARG  72  11.035 -10.914   3.953
  535   2HB   ARG  72          1HB       ARG  72   9.831  -9.843   4.657
  536   1HG   ARG  72          2HG       ARG  72   9.619  -8.675   2.521
  537   2HG   ARG  72          1HG       ARG  72  10.826  -9.752   1.816
  538   1HD   ARG  72          2HD       ARG  72   9.195 -11.619   2.685
  539   2HD   ARG  72          1HD       ARG  72   8.011 -10.314   2.621
  540    HE   ARG  72           HE       ARG  72   9.355 -10.320   0.192
  541   1HH1  ARG  72          1HH1      ARG  72   7.267 -12.451   2.000
  542   2HH1  ARG  72          2HH1      ARG  72   6.597 -13.197   0.588
  543   1HH2  ARG  72          1HH2      ARG  72   8.477 -11.299  -1.666
  544   2HH2  ARG  72          2HH2      ARG  72   7.286 -12.545  -1.493
  545    H    VAL  73           H        VAL  73  14.097  -8.695   5.189
  546    HA   VAL  73           HA       VAL  73  15.330  -9.626   2.683
  547    HB   VAL  73           HB       VAL  73  17.400  -8.515   3.499
  548   1HG1  VAL  73          1HG1      VAL  73  16.777  -6.367   2.803
  549   2HG1  VAL  73          2HG1      VAL  73  15.147  -6.531   3.456
  550   3HG1  VAL  73          3HG1      VAL  73  15.616  -7.438   2.018
  551   1HG2  VAL  73          1HG2      VAL  73  16.333  -8.587   5.947
  552   2HG2  VAL  73          2HG2      VAL  73  15.861  -6.951   5.488
  553   3HG2  VAL  73          3HG2      VAL  73  17.562  -7.413   5.477
  Start of MODEL    4
    1   1H    ASP   1          1HT       ASP   1  -3.114  13.378  -3.192
    2   2H    ASP   1          2HT       ASP   1  -4.728  12.824  -3.010
    3   3H    ASP   1          3HT       ASP   1  -3.421  11.719  -2.890
    4    HA   ASP   1           HA       ASP   1  -2.629  13.120  -0.991
    5   1HB   ASP   1          2HB       ASP   1  -4.436  14.875  -1.769
    6   2HB   ASP   1          1HB       ASP   1  -5.508  13.909  -0.761
    7    H    VAL   2           H        VAL   2  -5.431  11.274  -1.947
    8    HA   VAL   2           HA       VAL   2  -6.174  10.187   0.517
    9    HB   VAL   2           HB       VAL   2  -6.318   8.829  -2.179
   10   1HG1  VAL   2          1HG1      VAL   2  -8.337   7.738  -1.098
   11   2HG1  VAL   2          2HG1      VAL   2  -7.710   8.334   0.439
   12   3HG1  VAL   2          3HG1      VAL   2  -6.756   7.207  -0.524
   13   1HG2  VAL   2          1HG2      VAL   2  -8.125  10.062  -2.722
   14   2HG2  VAL   2          2HG2      VAL   2  -7.415  11.228  -1.606
   15   3HG2  VAL   2          3HG2      VAL   2  -8.698  10.150  -1.057
   16    H    MET   3           H        MET   3  -5.050   8.978   1.880
   17    HA   MET   3           HA       MET   3  -2.627   7.649   1.054
   18   1HB   MET   3          2HB       MET   3  -4.029   7.725   3.731
   19   2HB   MET   3          1HB       MET   3  -2.435   7.040   3.445
   20   1HG   MET   3          2HG       MET   3  -1.527   9.173   2.918
   21   2HG   MET   3          1HG       MET   3  -3.126   9.914   2.904
   22   1HE   MET   3          1HE       MET   3  -0.649  10.898   4.133
   23   2HE   MET   3          2HE       MET   3  -0.524  10.877   5.891
   24   3HE   MET   3          3HE       MET   3  -1.764  11.856   5.108
   25    H    TRP   4           H        TRP   4  -2.206   5.361   1.561
   26    HA   TRP   4           HA       TRP   4  -4.583   3.665   1.685
   27   1HB   TRP   4          2HB       TRP   4  -2.561   3.560  -0.557
   28   2HB   TRP   4          1HB       TRP   4  -3.749   2.299  -0.236
   29    HD1  TRP   4           HD       TRP   4  -3.701   6.083  -1.096
   30    HE1  TRP   4           1HE      TRP   4  -5.787   6.597  -2.514
   31    HE3  TRP   4           3HE      TRP   4  -5.903   1.471  -0.998
   32    HZ2  TRP   4           2HZ      TRP   4  -8.066   5.228  -3.462
   33    HZ3  TRP   4           3HZ      TRP   4  -8.035   1.158  -2.184
   34    HH2  TRP   4           HH       TRP   4  -9.092   2.997  -3.392
   35    H    GLU   5           H        GLU   5  -4.228   2.288   3.272
   36    HA   GLU   5           HA       GLU   5  -1.624   1.670   4.258
   37   1HB   GLU   5          2HB       GLU   5  -2.924  -0.045   5.645
   38   2HB   GLU   5          1HB       GLU   5  -3.323   1.649   5.885
   39   1HG   GLU   5          2HG       GLU   5  -5.346   1.461   4.741
   40   2HG   GLU   5          1HG       GLU   5  -4.875  -0.057   3.978
   41    H    TYR   6           H        TYR   6  -0.543  -0.366   4.222
   42    HA   TYR   6           HA       TYR   6  -1.552  -2.318   2.284
   43   1HB   TYR   6          2HB       TYR   6   0.442  -2.427   1.046
   44   2HB   TYR   6          1HB       TYR   6   0.127  -0.708   1.233
   45    HD1  TYR   6           1HD      TYR   6   2.092  -3.502   2.725
   46    HD2  TYR   6           2HD      TYR   6   1.798   0.690   2.065
   47    HE1  TYR   6           1HE      TYR   6   4.351  -3.204   3.645
   48    HE2  TYR   6           2HE      TYR   6   4.059   0.997   2.983
   49    HH   TYR   6           HH       TYR   6   6.214  -1.518   3.444
   50    H    LYS   7           H        LYS   7  -1.095  -4.415   2.704
   51    HA   LYS   7           HA       LYS   7   0.635  -5.022   4.998
   52   1HB   LYS   7          2HB       LYS   7  -1.648  -5.115   5.818
   53   2HB   LYS   7          1HB       LYS   7  -2.128  -6.136   4.472
   54   1HG   LYS   7          2HG       LYS   7  -0.688  -7.920   5.308
   55   2HG   LYS   7          1HG       LYS   7  -0.205  -6.895   6.660
   56   1HD   LYS   7          2HD       LYS   7  -1.980  -8.534   7.244
   57   2HD   LYS   7          1HD       LYS   7  -2.460  -6.857   7.505
   58   1HE   LYS   7          2HE       LYS   7  -3.929  -6.863   5.728
   59   2HE   LYS   7          1HE       LYS   7  -3.085  -8.170   4.899
   60   1HZ   LYS   7          1HZ       LYS   7  -5.052  -9.110   5.703
   61   2HZ   LYS   7          2HZ       LYS   7  -4.920  -8.356   7.212
   62   3HZ   LYS   7          3HZ       LYS   7  -3.871  -9.618   6.804
   63    H    TRP   8           H        TRP   8   2.153  -6.464   4.470
   64    HA   TRP   8           HA       TRP   8   2.328  -7.618   1.917
   65   1HB   TRP   8          2HB       TRP   8   3.773  -8.392   4.459
   66   2HB   TRP   8          1HB       TRP   8   4.231  -8.898   2.838
   67    HD1  TRP   8           HD       TRP   8   4.737  -6.155   5.311
   68    HE1  TRP   8           1HE      TRP   8   6.169  -4.287   4.271
   69    HE3  TRP   8           3HE      TRP   8   4.600  -7.644   0.419
   70    HZ2  TRP   8           2HZ      TRP   8   7.120  -3.544   1.722
   71    HZ3  TRP   8           3HZ      TRP   8   5.801  -6.300  -1.255
   72    HH2  TRP   8           HH       TRP   8   7.034  -4.292  -0.614
   73    H    GLU   9           H        GLU   9   1.785  -9.222   5.052
   74    HA   GLU   9           HA       GLU   9   0.728 -11.548   3.614
   75   1HB   GLU   9          2HB       GLU   9   1.274 -11.392   6.570
   76   2HB   GLU   9          1HB       GLU   9   1.135 -12.827   5.565
   77   1HG   GLU   9          2HG       GLU   9   3.353 -12.826   5.521
   78   2HG   GLU   9          1HG       GLU   9   3.216 -11.473   4.401
   79    H    ASN  10           H        ASN  10  -1.377 -11.954   3.533
   80    HA   ASN  10           HA       ASN  10  -3.245 -10.218   4.855
   81   1HB   ASN  10          2HB       ASN  10  -3.628 -11.060   2.558
   82   2HB   ASN  10          1HB       ASN  10  -3.757 -12.697   3.195
   83   1HD2  ASN  10          1HD2      ASN  10  -5.845 -12.315   1.940
   84   2HD2  ASN  10          2HD2      ASN  10  -7.191 -11.753   2.866
   85    H    THR  11           H        THR  11  -2.113 -11.109   6.962
   86    HA   THR  11           HA       THR  11  -3.654 -13.417   7.938
   87    HB   THR  11           HB       THR  11  -1.906 -13.961   9.378
   88    HG1  THR  11           1HG      THR  11  -0.384 -12.537  10.085
   89   1HG2  THR  11          1HG2      THR  11   0.241 -13.760   8.141
   90   2HG2  THR  11          2HG2      THR  11  -0.607 -12.777   6.948
   91   3HG2  THR  11          3HG2      THR  11  -1.085 -14.454   7.209
   92    H    GLY  12           H        GLY  12  -3.687 -13.215  10.535
   93   1HA   GLY  12          2HA       GLY  12  -5.253 -10.802  11.022
   94   2HA   GLY  12          1HA       GLY  12  -5.186 -12.225  12.052
   95    H    ASP  13           H        ASP  13  -2.086 -11.869  11.536
   96    HA   ASP  13           HA       ASP  13  -1.724  -9.974  13.758
   97   1HB   ASP  13          2HB       ASP  13  -0.193 -12.453  12.986
   98   2HB   ASP  13          1HB       ASP  13   0.467 -11.252  14.093
   99    H    ALA  14           H        ALA  14  -0.983 -10.623  10.473
  100    HA   ALA  14           HA       ALA  14   1.462  -9.524   9.991
  101   1HB   ALA  14          1HB       ALA  14   0.604 -10.149   8.008
  102   2HB   ALA  14          2HB       ALA  14   0.063  -8.473   7.915
  103   3HB   ALA  14          3HB       ALA  14  -1.044  -9.727   8.473
  104    H    GLU  15           H        GLU  15   2.318  -7.472   9.667
  105    HA   GLU  15           HA       GLU  15   1.443  -5.429  11.347
  106   1HB   GLU  15          2HB       GLU  15   3.437  -5.651   9.151
  107   2HB   GLU  15          1HB       GLU  15   2.963  -4.033   9.651
  108   1HG   GLU  15          2HG       GLU  15   3.934  -6.125  11.575
  109   2HG   GLU  15          1HG       GLU  15   5.005  -4.984  10.764
  110    H    LEU  16           H        LEU  16   1.220  -3.092  10.300
  111    HA   LEU  16           HA       LEU  16  -0.620  -3.115   8.041
  112   1HB   LEU  16          2HB       LEU  16  -1.756  -3.307  10.437
  113   2HB   LEU  16          1HB       LEU  16  -1.504  -1.571  10.426
  114    HG   LEU  16           HG       LEU  16  -3.725  -2.000   9.653
  115   1HD1  LEU  16          1HD1      LEU  16  -3.726  -0.771   7.680
  116   2HD1  LEU  16          2HD1      LEU  16  -2.217  -1.488   7.117
  117   3HD1  LEU  16          3HD1      LEU  16  -2.199  -0.320   8.438
  118   1HD2  LEU  16          1HD2      LEU  16  -2.883  -4.392   8.827
  119   2HD2  LEU  16          2HD2      LEU  16  -2.870  -3.547   7.278
  120   3HD2  LEU  16          3HD2      LEU  16  -4.358  -3.641   8.221
  121    H    TYR  17           H        TYR  17   0.967  -1.973   6.927
  122    HA   TYR  17           HA       TYR  17   1.572   0.724   7.941
  123   1HB   TYR  17          2HB       TYR  17   2.985  -0.807   5.747
  124   2HB   TYR  17          1HB       TYR  17   3.486   0.725   6.451
  125    HD1  TYR  17           1HD      TYR  17   3.884   0.656   9.064
  126    HD2  TYR  17           2HD      TYR  17   3.983  -2.739   6.504
  127    HE1  TYR  17           1HE      TYR  17   5.262  -0.539  10.712
  128    HE2  TYR  17           2HE      TYR  17   5.359  -3.945   8.144
  129    HH   TYR  17           HH       TYR  17   5.805  -2.852  11.329
  130    H    GLY  18           H        GLY  18   2.357   1.821   5.466
  131   1HA   GLY  18          2HA       GLY  18   1.553   2.528   3.406
  132   2HA   GLY  18          1HA       GLY  18   0.105   1.586   3.677
  133    HA   PRO  19           HA       PRO  19  -1.331   5.377   5.933
  134   1HB   PRO  19          2HB       PRO  19   0.197   6.697   7.698
  135   2HB   PRO  19          1HB       PRO  19  -0.534   5.138   8.100
  136   1HG   PRO  19          2HG       PRO  19   2.267   5.752   7.243
  137   2HG   PRO  19          1HG       PRO  19   1.702   4.659   8.520
  138   1HD   PRO  19          2HD       PRO  19   2.452   3.825   6.018
  139   2HD   PRO  19          1HD       PRO  19   1.299   2.954   7.049
  140    H    PHE  20           H        PHE  20   1.030   5.407   3.824
  141    HA   PHE  20           HA       PHE  20   1.653   8.229   3.716
  142   1HB   PHE  20          2HB       PHE  20   2.376   6.310   1.542
  143   2HB   PHE  20          1HB       PHE  20   3.289   7.676   2.176
  144    HD1  PHE  20           1HD      PHE  20   2.434   4.150   2.642
  145    HD2  PHE  20           2HD      PHE  20   4.681   7.441   4.137
  146    HE1  PHE  20           1HE      PHE  20   3.742   2.612   4.050
  147    HE2  PHE  20           2HE      PHE  20   5.995   5.907   5.544
  148    HZ   PHE  20           HZ       PHE  20   5.525   3.494   5.502
  149    H    THR  21           H        THR  21   1.406   9.360   1.588
  150    HA   THR  21           HA       THR  21  -1.331   9.318   0.807
  151    HB   THR  21           HB       THR  21  -0.473  10.993  -0.953
  152    HG1  THR  21           1HG      THR  21   1.652  10.641  -1.076
  153   1HG2  THR  21          1HG2      THR  21  -1.372  12.232   0.681
  154   2HG2  THR  21          2HG2      THR  21   0.313  12.573   1.077
  155   3HG2  THR  21          3HG2      THR  21  -0.566  11.326   1.961
  156    H    SER  22           H        SER  22  -2.245   8.812  -1.204
  157    HA   SER  22           HA       SER  22  -1.526   6.458  -2.410
  158   1HB   SER  22          2HB       SER  22  -2.741   7.609  -4.498
  159   2HB   SER  22          1HB       SER  22  -3.633   7.088  -3.070
  160    HG   SER  22           HG       SER  22  -2.760   9.699  -3.729
  161    H    ALA  23           H        ALA  23  -0.293   9.655  -2.981
  162    HA   ALA  23           HA       ALA  23   0.993   9.242  -5.444
  163   1HB   ALA  23          1HB       ALA  23   0.712  11.468  -4.694
  164   2HB   ALA  23          2HB       ALA  23   2.450  11.163  -4.657
  165   3HB   ALA  23          3HB       ALA  23   1.516  11.131  -3.161
  166    H    GLN  24           H        GLN  24   2.121   8.905  -2.098
  167    HA   GLN  24           HA       GLN  24   4.735   8.021  -2.830
  168   1HB   GLN  24          2HB       GLN  24   3.887   9.106  -0.606
  169   2HB   GLN  24          1HB       GLN  24   3.494   7.451  -0.163
  170   1HG   GLN  24          2HG       GLN  24   5.671   8.128   0.694
  171   2HG   GLN  24          1HG       GLN  24   5.806   6.792  -0.449
  172   1HE2  GLN  24          1HE2      GLN  24   7.392   6.971  -1.845
  173   2HE2  GLN  24          2HE2      GLN  24   8.086   8.443  -2.424
  174    H    MET  25           H        MET  25   1.703   6.486  -2.068
  175    HA   MET  25           HA       MET  25   2.736   3.838  -1.837
  176   1HB   MET  25          2HB       MET  25   0.005   5.035  -2.112
  177   2HB   MET  25          1HB       MET  25   0.210   3.306  -2.355
  178   1HG   MET  25          2HG       MET  25   0.940   4.852   0.123
  179   2HG   MET  25          1HG       MET  25  -0.459   3.798  -0.078
  180   1HE   MET  25          1HE       MET  25   1.657   1.529  -1.978
  181   2HE   MET  25          2HE       MET  25   0.050   1.394  -1.264
  182   3HE   MET  25          3HE       MET  25   1.356   0.349  -0.704
  183    H    GLN  26           H        GLN  26   1.242   5.705  -4.441
  184    HA   GLN  26           HA       GLN  26   1.094   3.671  -6.358
  185   1HB   GLN  26          2HB       GLN  26  -0.059   5.761  -6.700
  186   2HB   GLN  26          1HB       GLN  26   1.452   6.656  -6.672
  187   1HG   GLN  26          2HG       GLN  26   0.418   6.299  -8.933
  188   2HG   GLN  26          1HG       GLN  26   2.106   5.821  -8.773
  189   1HE2  GLN  26          1HE2      GLN  26  -0.714   4.059  -7.629
  190   2HE2  GLN  26          2HE2      GLN  26  -0.508   2.688  -8.659
  191    H    THR  27           H        THR  27   3.689   5.960  -5.598
  192    HA   THR  27           HA       THR  27   5.451   5.284  -7.654
  193    HB   THR  27           HB       THR  27   6.174   6.129  -4.841
  194    HG1  THR  27           1HG      THR  27   5.025   7.798  -5.439
  195   1HG2  THR  27          1HG2      THR  27   7.666   6.312  -7.440
  196   2HG2  THR  27          2HG2      THR  27   8.168   5.518  -5.947
  197   3HG2  THR  27          3HG2      THR  27   8.066   7.277  -6.018
  198    H    TRP  28           H        TRP  28   5.345   4.040  -4.314
  199    HA   TRP  28           HA       TRP  28   7.386   2.140  -4.618
  200   1HB   TRP  28          2HB       TRP  28   5.088   2.431  -2.705
  201   2HB   TRP  28          1HB       TRP  28   6.137   1.023  -2.638
  202    HD1  TRP  28           HD       TRP  28   8.934   2.472  -3.114
  203    HE1  TRP  28           1HE      TRP  28   9.914   3.968  -1.259
  204    HE3  TRP  28           3HE      TRP  28   4.639   3.475  -0.531
  205    HZ2  TRP  28           2HZ      TRP  28   8.982   5.387   0.998
  206    HZ3  TRP  28           3HZ      TRP  28   4.767   4.912   1.464
  207    HH2  TRP  28           HH       TRP  28   6.896   5.845   2.212
  208    H    VAL  29           H        VAL  29   3.877   1.894  -5.023
  209    HA   VAL  29           HA       VAL  29   3.809  -0.887  -5.512
  210    HB   VAL  29           HB       VAL  29   1.853   1.261  -6.342
  211   1HG1  VAL  29          1HG1      VAL  29   1.841  -1.683  -6.667
  212   2HG1  VAL  29          2HG1      VAL  29   1.102  -0.427  -7.662
  213   3HG1  VAL  29          3HG1      VAL  29   0.334  -0.924  -6.154
  214   1HG2  VAL  29          1HG2      VAL  29   2.450   0.754  -3.843
  215   2HG2  VAL  29          2HG2      VAL  29   1.419  -0.654  -4.097
  216   3HG2  VAL  29          3HG2      VAL  29   0.770   0.968  -4.335
  217    H    SER  30           H        SER  30   4.297   1.890  -7.609
  218    HA   SER  30           HA       SER  30   4.224   0.203  -9.986
  219   1HB   SER  30          2HB       SER  30   4.099   3.104  -9.458
  220   2HB   SER  30          1HB       SER  30   4.985   2.648 -10.911
  221    HG   SER  30           HG       SER  30   2.309   1.986 -10.242
  222    H    GLU  31           H        GLU  31   6.511   1.837  -7.919
  223    HA   GLU  31           HA       GLU  31   8.759   1.877  -9.555
  224   1HB   GLU  31          2HB       GLU  31   8.315   1.771  -6.610
  225   2HB   GLU  31          1HB       GLU  31   9.939   1.466  -7.210
  226   1HG   GLU  31          2HG       GLU  31   8.494   3.863  -8.204
  227   2HG   GLU  31          1HG       GLU  31   9.135   3.883  -6.561
  228    H    GLY  32           H        GLY  32   7.145  -0.796  -8.079
  229   1HA   GLY  32          2HA       GLY  32   7.532  -3.014  -8.919
  230   2HA   GLY  32          1HA       GLY  32   9.216  -2.582  -9.164
  231    H    TYR  33           H        TYR  33   8.198  -1.359  -6.237
  232    HA   TYR  33           HA       TYR  33   9.878  -3.011  -4.718
  233   1HB   TYR  33          2HB       TYR  33   7.818  -0.945  -4.099
  234   2HB   TYR  33          1HB       TYR  33   8.383  -1.973  -2.788
  235    HD1  TYR  33           1HD      TYR  33   9.089   0.283  -1.827
  236    HD2  TYR  33           2HD      TYR  33  10.883  -1.411  -5.293
  237    HE1  TYR  33           1HE      TYR  33  11.042   1.744  -1.522
  238    HE2  TYR  33           2HE      TYR  33  12.841   0.044  -4.996
  239    HH   TYR  33           HH       TYR  33  13.354   1.882  -2.138
  240    H    PHE  34           H        PHE  34   6.509  -3.295  -5.567
  241    HA   PHE  34           HA       PHE  34   6.306  -5.680  -3.844
  242   1HB   PHE  34          2HB       PHE  34   3.910  -4.275  -4.989
  243   2HB   PHE  34          1HB       PHE  34   4.009  -5.317  -3.576
  244    HD1  PHE  34           1HD      PHE  34   2.758  -2.503  -3.896
  245    HD2  PHE  34           2HD      PHE  34   6.496  -3.883  -2.410
  246    HE1  PHE  34           1HE      PHE  34   2.913  -0.518  -2.452
  247    HE2  PHE  34           2HE      PHE  34   6.660  -1.898  -0.965
  248    HZ   PHE  34           HZ       PHE  34   4.864  -0.210  -0.986
  249    HA   PRO  35           HA       PRO  35   6.633  -7.249  -8.216
  250   1HB   PRO  35          2HB       PRO  35   7.290  -9.646  -6.575
  251   2HB   PRO  35          1HB       PRO  35   8.077  -9.029  -8.031
  252   1HG   PRO  35          2HG       PRO  35   9.202  -8.712  -5.638
  253   2HG   PRO  35          1HG       PRO  35   9.285  -7.433  -6.864
  254   1HD   PRO  35          2HD       PRO  35   7.589  -7.607  -4.415
  255   2HD   PRO  35          1HD       PRO  35   8.342  -6.190  -5.173
  256    H    ASP  36           H        ASP  36   5.000  -8.430  -5.338
  257    HA   ASP  36           HA       ASP  36   3.025  -9.762  -7.063
  258   1HB   ASP  36          2HB       ASP  36   4.241 -11.331  -5.624
  259   2HB   ASP  36          1HB       ASP  36   3.786 -10.392  -4.207
  260    H    GLY  37           H        GLY  37   3.330  -6.919  -5.815
  261   1HA   GLY  37          2HA       GLY  37   1.801  -5.312  -5.207
  262   2HA   GLY  37          1HA       GLY  37   0.540  -6.523  -5.389
  263    H    VAL  38           H        VAL  38  -0.339  -5.403  -3.472
  264    HA   VAL  38           HA       VAL  38   0.324  -6.880  -1.105
  265    HB   VAL  38           HB       VAL  38   0.574  -4.718   0.268
  266   1HG1  VAL  38          1HG1      VAL  38   2.892  -4.922   0.253
  267   2HG1  VAL  38          2HG1      VAL  38   2.943  -5.299  -1.470
  268   3HG1  VAL  38          3HG1      VAL  38   2.336  -6.493  -0.325
  269   1HG2  VAL  38          1HG2      VAL  38   1.861  -2.963  -1.080
  270   2HG2  VAL  38          2HG2      VAL  38   0.108  -3.014  -1.271
  271   3HG2  VAL  38          3HG2      VAL  38   1.150  -3.721  -2.505
  272    H    TYR  39           H        TYR  39  -1.150  -6.387   0.690
  273    HA   TYR  39           HA       TYR  39  -3.812  -6.020  -0.258
  274   1HB   TYR  39          2HB       TYR  39  -2.545  -7.031   2.093
  275   2HB   TYR  39          1HB       TYR  39  -3.716  -5.815   2.586
  276    HD1  TYR  39           1HD      TYR  39  -3.841  -8.239  -0.241
  277    HD2  TYR  39           2HD      TYR  39  -5.509  -7.008   3.474
  278    HE1  TYR  39           1HE      TYR  39  -5.647  -9.885  -0.514
  279    HE2  TYR  39           2HE      TYR  39  -7.320  -8.652   3.212
  280    HH   TYR  39           HH       TYR  39  -7.919 -10.274   0.276
  281    H    CYS  40           H        CYS  40  -3.776  -3.921  -1.157
  282    HA   CYS  40           HA       CYS  40  -3.290  -1.691   0.647
  283   1HB   CYS  40          2HB       CYS  40  -3.389  -2.054  -2.276
  284   2HB   CYS  40          1HB       CYS  40  -4.020  -0.520  -1.689
  285    HG   CYS  40           HG       CYS  40  -1.077  -1.441  -1.435
  286    H    ARG  41           H        ARG  41  -4.777  -0.012   0.984
  287    HA   ARG  41           HA       ARG  41  -7.401   0.081   0.053
  288   1HB   ARG  41          2HB       ARG  41  -8.720  -0.864   1.761
  289   2HB   ARG  41          1HB       ARG  41  -7.490  -2.072   1.425
  290   1HG   ARG  41          2HG       ARG  41  -6.277  -1.483   3.401
  291   2HG   ARG  41          1HG       ARG  41  -7.331  -0.099   3.693
  292   1HD   ARG  41          2HD       ARG  41  -7.912  -3.020   4.000
  293   2HD   ARG  41          1HD       ARG  41  -8.147  -1.711   5.156
  294    HE   ARG  41           HE       ARG  41 -10.005  -2.617   3.200
  295   1HH1  ARG  41          1HH1      ARG  41  -8.914   0.230   4.892
  296   2HH1  ARG  41          2HH1      ARG  41 -10.429   1.054   4.742
  297   1HH2  ARG  41          1HH2      ARG  41 -12.000  -1.537   3.001
  298   2HH2  ARG  41          2HH2      ARG  41 -12.183   0.050   3.669
  299    H    LYS  42           H        LYS  42  -8.577   1.836   0.946
  300    HA   LYS  42           HA       LYS  42  -7.031   3.979   1.830
  301   1HB   LYS  42          2HB       LYS  42  -9.983   3.443   1.743
  302   2HB   LYS  42          1HB       LYS  42  -9.360   4.933   2.425
  303   1HG   LYS  42          2HG       LYS  42  -8.293   5.491   0.324
  304   2HG   LYS  42          1HG       LYS  42  -8.820   3.956  -0.367
  305   1HD   LYS  42          2HD       LYS  42 -10.987   5.548   0.793
  306   2HD   LYS  42          1HD       LYS  42 -10.172   6.325  -0.567
  307   1HE   LYS  42          2HE       LYS  42 -11.081   4.917  -2.044
  308   2HE   LYS  42          1HE       LYS  42 -10.708   3.509  -1.050
  309   1HZ   LYS  42          1HZ       LYS  42 -13.067   3.697  -1.299
  310   2HZ   LYS  42          2HZ       LYS  42 -13.056   5.303  -0.769
  311   3HZ   LYS  42          3HZ       LYS  42 -12.675   4.057   0.308
  312    H    LEU  43           H        LEU  43  -6.529   4.792   3.778
  313    HA   LEU  43           HA       LEU  43  -6.486   3.171   6.039
  314   1HB   LEU  43          2HB       LEU  43  -6.421   6.176   6.138
  315   2HB   LEU  43          1HB       LEU  43  -5.642   5.043   7.226
  316    HG   LEU  43           HG       LEU  43  -4.874   5.489   4.339
  317   1HD1  LEU  43          1HD1      LEU  43  -3.572   6.375   6.902
  318   2HD1  LEU  43          2HD1      LEU  43  -4.314   7.408   5.680
  319   3HD1  LEU  43          3HD1      LEU  43  -2.850   6.502   5.299
  320   1HD2  LEU  43          1HD2      LEU  43  -3.035   4.036   4.740
  321   2HD2  LEU  43          2HD2      LEU  43  -4.489   3.187   5.262
  322   3HD2  LEU  43          3HD2      LEU  43  -3.419   3.921   6.457
  323    H    ASP  44           H        ASP  44  -8.662   5.872   5.253
  324    HA   ASP  44           HA       ASP  44 -10.464   4.912   7.377
  325   1HB   ASP  44          2HB       ASP  44  -9.371   7.241   7.599
  326   2HB   ASP  44          1HB       ASP  44 -10.479   7.728   6.321
  327    HA   PRO  45           HA       PRO  45 -12.283   4.310   7.876
  328   1HB   PRO  45          2HB       PRO  45 -13.883   2.194   7.425
  329   2HB   PRO  45          1HB       PRO  45 -14.515   3.843   7.507
  330   1HG   PRO  45          2HG       PRO  45 -13.874   2.180   5.100
  331   2HG   PRO  45          1HG       PRO  45 -15.287   3.206   5.403
  332   1HD   PRO  45          2HD       PRO  45 -13.166   3.996   3.887
  333   2HD   PRO  45          1HD       PRO  45 -14.174   5.126   4.812
  334    HA   PRO  46           HA       PRO  46  -9.078   1.243   7.288
  335   1HB   PRO  46          2HB       PRO  46  -8.569   0.703   9.870
  336   2HB   PRO  46          1HB       PRO  46  -8.107   2.241   9.134
  337   1HG   PRO  46          2HG       PRO  46 -10.463   1.603  10.865
  338   2HG   PRO  46          1HG       PRO  46  -9.392   3.014  10.910
  339   1HD   PRO  46          2HD       PRO  46 -11.856   3.014   9.718
  340   2HD   PRO  46          1HD       PRO  46 -10.524   4.079   9.225
  341    H    GLY  47           H        GLY  47  -9.005  -0.941   7.081
  342   1HA   GLY  47          2HA       GLY  47  -9.606  -3.156   7.269
  343   2HA   GLY  47          1HA       GLY  47 -10.462  -2.738   8.745
  344    H    GLY  48           H        GLY  48 -10.705  -3.154   5.297
  345   1HA   GLY  48          2HA       GLY  48 -13.533  -3.658   5.533
  346   2HA   GLY  48          1HA       GLY  48 -13.159  -2.194   4.637
  347    H    GLN  49           H        GLN  49 -13.725  -2.762   2.612
  348    HA   GLN  49           HA       GLN  49 -13.238  -5.318   1.483
  349   1HB   GLN  49          2HB       GLN  49 -13.669  -2.796  -0.102
  350   2HB   GLN  49          1HB       GLN  49 -14.112  -4.443  -0.531
  351   1HG   GLN  49          2HG       GLN  49 -15.389  -2.684   1.544
  352   2HG   GLN  49          1HG       GLN  49 -16.098  -3.269   0.039
  353   1HE2  GLN  49          1HE2      GLN  49 -16.408  -5.598  -0.153
  354   2HE2  GLN  49          2HE2      GLN  49 -16.791  -6.508   1.264
  355    H    PHE  50           H        PHE  50 -10.939  -5.389   2.160
  356    HA   PHE  50           HA       PHE  50  -8.877  -3.839   1.244
  357   1HB   PHE  50          2HB       PHE  50  -9.175  -6.554   2.214
  358   2HB   PHE  50          1HB       PHE  50  -7.908  -6.456   0.997
  359    HD1  PHE  50           1HD      PHE  50  -6.525  -4.057   1.383
  360    HD2  PHE  50           2HD      PHE  50  -8.343  -6.520   4.339
  361    HE1  PHE  50           1HE      PHE  50  -4.971  -3.172   3.072
  362    HE2  PHE  50           2HE      PHE  50  -6.793  -5.638   6.033
  363    HZ   PHE  50           HZ       PHE  50  -5.103  -3.962   5.401
  364    H    TYR  51           H        TYR  51  -7.316  -4.193  -0.507
  365    HA   TYR  51           HA       TYR  51  -8.143  -5.675  -2.827
  366   1HB   TYR  51          2HB       TYR  51  -8.464  -2.702  -2.693
  367   2HB   TYR  51          1HB       TYR  51  -7.988  -3.445  -4.217
  368    HD1  TYR  51           1HD      TYR  51 -10.710  -2.266  -2.482
  369    HD2  TYR  51           2HD      TYR  51  -9.498  -5.672  -4.724
  370    HE1  TYR  51           1HE      TYR  51 -13.067  -2.785  -2.955
  371    HE2  TYR  51           2HE      TYR  51 -11.851  -6.200  -5.204
  372    HH   TYR  51           HH       TYR  51 -14.037  -4.936  -5.320
  373    H    ASN  52           H        ASN  52  -6.424  -6.236  -4.029
  374    HA   ASN  52           HA       ASN  52  -3.821  -5.800  -3.125
  375   1HB   ASN  52          2HB       ASN  52  -4.738  -7.638  -4.691
  376   2HB   ASN  52          1HB       ASN  52  -4.446  -6.484  -5.988
  377   1HD2  ASN  52          1HD2      ASN  52  -3.078  -8.497  -6.499
  378   2HD2  ASN  52          2HD2      ASN  52  -1.433  -8.425  -5.977
  379    H    SER  53           H        SER  53  -2.298  -4.300  -3.527
  380    HA   SER  53           HA       SER  53  -2.939  -1.770  -4.464
  381   1HB   SER  53          2HB       SER  53  -0.670  -1.224  -4.212
  382   2HB   SER  53          1HB       SER  53  -0.898  -2.560  -3.083
  383    HG   SER  53           HG       SER  53  -0.141  -3.928  -4.871
  384    H    LYS  54           H        LYS  54  -1.896  -4.591  -6.214
  385    HA   LYS  54           HA       LYS  54  -1.306  -3.134  -8.635
  386   1HB   LYS  54          2HB       LYS  54  -0.863  -5.791  -7.632
  387   2HB   LYS  54          1HB       LYS  54  -1.617  -5.880  -9.217
  388   1HG   LYS  54          2HG       LYS  54   0.210  -5.119 -10.274
  389   2HG   LYS  54          1HG       LYS  54   0.593  -3.959  -9.001
  390   1HD   LYS  54          2HD       LYS  54   2.028  -5.365  -8.011
  391   2HD   LYS  54          1HD       LYS  54   0.917  -6.729  -8.151
  392   1HE   LYS  54          2HE       LYS  54   2.002  -7.534  -9.923
  393   2HE   LYS  54          1HE       LYS  54   1.983  -5.966 -10.729
  394   1HZ   LYS  54          1HZ       LYS  54   3.859  -6.240  -8.528
  395   2HZ   LYS  54          2HZ       LYS  54   4.051  -5.482 -10.028
  396   3HZ   LYS  54          3HZ       LYS  54   4.205  -7.161  -9.906
  397    H    ARG  55           H        ARG  55  -4.136  -3.806  -7.145
  398    HA   ARG  55           HA       ARG  55  -5.570  -4.093  -9.699
  399   1HB   ARG  55          2HB       ARG  55  -5.669  -5.838  -7.572
  400   2HB   ARG  55          1HB       ARG  55  -7.085  -4.830  -7.306
  401   1HG   ARG  55          2HG       ARG  55  -6.646  -5.892 -10.039
  402   2HG   ARG  55          1HG       ARG  55  -7.168  -7.020  -8.785
  403   1HD   ARG  55          2HD       ARG  55  -9.253  -6.283  -8.969
  404   2HD   ARG  55          1HD       ARG  55  -8.727  -4.649  -8.567
  405    HE   ARG  55           HE       ARG  55  -8.246  -5.335 -11.306
  406   1HH1  ARG  55          1HH1      ARG  55 -10.650  -4.176  -9.058
  407   2HH1  ARG  55          2HH1      ARG  55 -11.577  -3.363 -10.274
  408   1HH2  ARG  55          1HH2      ARG  55  -9.461  -4.264 -12.907
  409   2HH2  ARG  55          2HH2      ARG  55 -10.902  -3.413 -12.459
  410    H    ILE  56           H        ILE  56  -4.779  -1.894  -7.449
  411    HA   ILE  56           HA       ILE  56  -7.403  -0.592  -7.360
  412    HB   ILE  56           HB       ILE  56  -4.848   0.060  -5.887
  413   1HG1  ILE  56          2HG1      ILE  56  -7.456  -1.196  -5.017
  414   2HG1  ILE  56          1HG1      ILE  56  -5.869  -1.957  -5.042
  415   1HG2  ILE  56          1HG2      ILE  56  -7.570   1.348  -5.710
  416   2HG2  ILE  56          2HG2      ILE  56  -6.090   2.094  -6.314
  417   3HG2  ILE  56          3HG2      ILE  56  -6.227   1.658  -4.610
  418   1HD1  ILE  56          1HD1      ILE  56  -5.593   0.322  -3.448
  419   2HD1  ILE  56          2HD1      ILE  56  -5.629  -1.364  -2.929
  420   3HD1  ILE  56          3HD1      ILE  56  -7.120  -0.424  -2.977
  421    H    ASP  57           H        ASP  57  -7.633   1.617  -7.971
  422    HA   ASP  57           HA       ASP  57  -5.725   2.424 -10.060
  423   1HB   ASP  57          2HB       ASP  57  -8.233   1.983 -10.561
  424   2HB   ASP  57          1HB       ASP  57  -8.501   3.541  -9.784
  425    H    PHE  58           H        PHE  58  -4.332   3.348  -8.416
  426    HA   PHE  58           HA       PHE  58  -5.083   5.358  -6.633
  427   1HB   PHE  58          2HB       PHE  58  -2.431   4.965  -8.029
  428   2HB   PHE  58          1HB       PHE  58  -2.691   5.995  -6.627
  429    HD1  PHE  58           1HD      PHE  58  -2.614   2.517  -7.823
  430    HD2  PHE  58           2HD      PHE  58  -2.844   5.085  -4.437
  431    HE1  PHE  58           1HE      PHE  58  -2.173   0.601  -6.344
  432    HE2  PHE  58           2HE      PHE  58  -2.404   3.173  -2.952
  433    HZ   PHE  58           HZ       PHE  58  -2.064   0.927  -3.905
  434    H    ASP  59           H        ASP  59  -4.619   5.450 -10.047
  435    HA   ASP  59           HA       ASP  59  -4.015   8.141 -10.458
  436   1HB   ASP  59          2HB       ASP  59  -4.256   6.097 -12.121
  437   2HB   ASP  59          1HB       ASP  59  -5.876   6.754 -12.338
  438    H    LEU  60           H        LEU  60  -7.000   6.621  -9.544
  439    HA   LEU  60           HA       LEU  60  -8.502   9.060 -10.044
  440   1HB   LEU  60          2HB       LEU  60  -9.649   6.546  -8.885
  441   2HB   LEU  60          1HB       LEU  60 -10.467   7.807  -9.789
  442    HG   LEU  60           HG       LEU  60  -8.493   5.837 -10.947
  443   1HD1  LEU  60          1HD1      LEU  60 -10.424   4.842 -12.037
  444   2HD1  LEU  60          2HD1      LEU  60 -11.492   5.985 -11.222
  445   3HD1  LEU  60          3HD1      LEU  60 -10.601   4.787 -10.283
  446   1HD2  LEU  60          1HD2      LEU  60 -10.291   7.771 -12.394
  447   2HD2  LEU  60          2HD2      LEU  60  -9.019   6.756 -13.074
  448   3HD2  LEU  60          3HD2      LEU  60  -8.601   8.108 -12.021
  449    H    TYR  61           H        TYR  61  -6.463   8.874  -7.947
  450    HA   TYR  61           HA       TYR  61  -8.121   9.801  -5.738
  451   1HB   TYR  61          2HB       TYR  61  -6.039   7.626  -5.500
  452   2HB   TYR  61          1HB       TYR  61  -6.685   8.509  -4.123
  453    HD1  TYR  61           1HD      TYR  61  -7.273   5.873  -6.531
  454    HD2  TYR  61           2HD      TYR  61  -9.091   8.271  -3.525
  455    HE1  TYR  61           1HE      TYR  61  -9.144   4.284  -6.404
  456    HE2  TYR  61           2HE      TYR  61 -10.967   6.688  -3.389
  457    HH   TYR  61           HH       TYR  61 -11.983   4.872  -5.262
  458    H    THR  62           H        THR  62  -4.762   9.208  -6.765
  459    HA   THR  62           HA       THR  62  -3.735  11.402  -5.241
  460    HB   THR  62           HB       THR  62  -2.298   9.516  -5.669
  461    HG1  THR  62           1HG      THR  62  -1.333  11.629  -5.666
  462   1HG2  THR  62          1HG2      THR  62  -3.361   9.589  -8.285
  463   2HG2  THR  62          2HG2      THR  62  -2.255   8.412  -7.576
  464   3HG2  THR  62          3HG2      THR  62  -1.619   9.835  -8.401
  465   1H    SER  63          1HT       SER  63  17.390  12.470  -7.699
  466   2H    SER  63          2HT       SER  63  17.729  10.926  -8.368
  467   3H    SER  63          3HT       SER  63  17.834  11.171  -6.673
  468    HA   SER  63           HA       SER  63  15.464  11.705  -6.665
  469   1HB   SER  63          2HB       SER  63  15.750  12.039  -9.311
  470   2HB   SER  63          1HB       SER  63  15.217  10.357  -9.308
  471    HG   SER  63           HG       SER  63  13.867  12.512  -8.045
  472    H    HIS  64           H        HIS  64  16.123  10.120  -5.067
  473    HA   HIS  64           HA       HIS  64  15.283   7.419  -5.841
  474   1HB   HIS  64          2HB       HIS  64  17.864   8.204  -4.538
  475   2HB   HIS  64          1HB       HIS  64  17.129   6.655  -4.137
  476    HD1  HIS  64           1HD      HIS  64  17.178   4.822  -5.930
  477    HD2  HIS  64           2HD      HIS  64  18.857   8.416  -7.167
  478    HE1  HIS  64           1HE      HIS  64  18.369   4.302  -8.083
  479    HE2  HIS  64           2HE      HIS  64  19.311   6.508  -8.852
  480    H    ARG  65           H        ARG  65  13.520   7.037  -4.674
  481    HA   ARG  65           HA       ARG  65  13.090   8.323  -2.127
  482   1HB   ARG  65          2HB       ARG  65  10.890   7.598  -2.269
  483   2HB   ARG  65          1HB       ARG  65  11.333   7.783  -3.959
  484   1HG   ARG  65          2HG       ARG  65  12.003   5.174  -3.452
  485   2HG   ARG  65          1HG       ARG  65  10.556   5.404  -2.470
  486   1HD   ARG  65          2HD       ARG  65  10.141   4.595  -4.811
  487   2HD   ARG  65          1HD       ARG  65   9.274   6.063  -4.359
  488    HE   ARG  65           HE       ARG  65  10.395   7.164  -6.010
  489   1HH1  ARG  65          1HH1      ARG  65  12.181   4.272  -5.219
  490   2HH1  ARG  65          2HH1      ARG  65  13.336   4.489  -6.491
  491   1HH2  ARG  65          1HH2      ARG  65  11.913   7.450  -7.682
  492   2HH2  ARG  65          2HH2      ARG  65  13.184   6.292  -7.889
  493    HA   PRO  66           HA       PRO  66  14.490   5.083   0.501
  494   1HB   PRO  66          2HB       PRO  66  12.876   5.363   2.639
  495   2HB   PRO  66          1HB       PRO  66  14.104   6.565   2.221
  496   1HG   PRO  66          2HG       PRO  66  11.156   6.600   1.688
  497   2HG   PRO  66          1HG       PRO  66  12.207   7.914   2.250
  498   1HD   PRO  66          2HD       PRO  66  11.409   7.640  -0.347
  499   2HD   PRO  66          1HD       PRO  66  12.939   8.401   0.128
  500    HA   PRO  67           HA       PRO  67  11.834   1.549   0.309
  501   1HB   PRO  67          2HB       PRO  67  12.740   0.017   2.301
  502   2HB   PRO  67          1HB       PRO  67  13.775   0.451   0.934
  503   1HG   PRO  67          2HG       PRO  67  13.750   1.525   3.710
  504   2HG   PRO  67          1HG       PRO  67  15.118   1.269   2.616
  505   1HD   PRO  67          2HD       PRO  67  13.797   3.705   3.094
  506   2HD   PRO  67          1HD       PRO  67  14.939   3.373   1.782
  507    HA   PRO  68           HA       PRO  68   8.356   2.224   3.013
  508   1HB   PRO  68          2HB       PRO  68   6.886   0.047   2.326
  509   2HB   PRO  68          1HB       PRO  68   7.031   1.473   1.293
  510   1HG   PRO  68          2HG       PRO  68   8.484  -1.138   1.135
  511   2HG   PRO  68          1HG       PRO  68   7.785  -0.166  -0.172
  512   1HD   PRO  68          2HD       PRO  68  10.432  -0.152   0.400
  513   2HD   PRO  68          1HD       PRO  68   9.584   1.273  -0.235
  514    HA   PRO  69           HA       PRO  69   8.909  -0.154   6.682
  515   1HB   PRO  69          2HB       PRO  69   6.299  -0.555   7.479
  516   2HB   PRO  69          1HB       PRO  69   7.216   0.924   7.764
  517   1HG   PRO  69          2HG       PRO  69   5.192   0.321   5.663
  518   2HG   PRO  69          1HG       PRO  69   5.473   1.825   6.552
  519   1HD   PRO  69          2HD       PRO  69   6.289   1.467   4.001
  520   2HD   PRO  69          1HD       PRO  69   7.188   2.475   5.152
  521    H    GLY  70           H        GLY  70   7.926  -2.165   7.847
  522   1HA   GLY  70          2HA       GLY  70   7.305  -4.387   7.797
  523   2HA   GLY  70          1HA       GLY  70   6.781  -4.171   6.136
  524    H    HIS  71           H        HIS  71   7.863  -5.350   4.717
  525    HA   HIS  71           HA       HIS  71   9.544  -6.455   3.657
  526   1HB   HIS  71          2HB       HIS  71  11.191  -4.936   3.402
  527   2HB   HIS  71          1HB       HIS  71  10.788  -4.184   4.927
  528    HD1  HIS  71           1HD      HIS  71  12.987  -3.786   5.841
  529    HD2  HIS  71           2HD      HIS  71  12.589  -7.696   4.539
  530    HE1  HIS  71           1HE      HIS  71  15.085  -4.957   6.609
  531    HE2  HIS  71           2HE      HIS  71  14.768  -7.356   5.895
  532    H    ARG  72           H        ARG  72   9.891  -8.541   4.001
  533    HA   ARG  72           HA       ARG  72  10.951  -9.390   6.609
  534   1HB   ARG  72          2HB       ARG  72   9.004 -11.144   5.163
  535   2HB   ARG  72          1HB       ARG  72   9.399 -11.093   6.873
  536   1HG   ARG  72          2HG       ARG  72   7.571  -9.901   7.216
  537   2HG   ARG  72          1HG       ARG  72   8.276  -8.593   6.270
  538   1HD   ARG  72          2HD       ARG  72   6.324 -10.697   5.448
  539   2HD   ARG  72          1HD       ARG  72   6.280  -8.958   5.170
  540    HE   ARG  72           HE       ARG  72   8.424  -9.779   3.726
  541   1HH1  ARG  72          1HH1      ARG  72   5.082 -10.771   3.851
  542   2HH1  ARG  72          2HH1      ARG  72   5.036 -11.265   2.193
  543   1HH2  ARG  72          1HH2      ARG  72   8.369 -10.431   1.546
  544   2HH2  ARG  72          2HH2      ARG  72   6.904 -11.073   0.883
  545    H    VAL  73           H        VAL  73  12.325 -11.168   6.590
  546    HA   VAL  73           HA       VAL  73  12.839 -12.643   4.178
  547    HB   VAL  73           HB       VAL  73  15.316 -11.985   4.197
  548   1HG1  VAL  73          1HG1      VAL  73  14.956 -10.586   2.428
  549   2HG1  VAL  73          2HG1      VAL  73  13.690  -9.682   3.256
  550   3HG1  VAL  73          3HG1      VAL  73  13.342 -11.278   2.591
  551   1HG2  VAL  73          1HG2      VAL  73  14.488  -9.313   5.166
  552   2HG2  VAL  73          2HG2      VAL  73  16.046 -10.130   5.282
  553   3HG2  VAL  73          3HG2      VAL  73  14.739 -10.565   6.382
  Start of MODEL    5
    1   1H    ASP   1          1HT       ASP   1  -4.706  14.708   0.399
    2   2H    ASP   1          2HT       ASP   1  -5.982  14.079  -0.561
    3   3H    ASP   1          3HT       ASP   1  -4.793  15.094  -1.269
    4    HA   ASP   1           HA       ASP   1  -4.201  13.006  -1.929
    5   1HB   ASP   1          2HB       ASP   1  -2.650  14.463  -0.039
    6   2HB   ASP   1          1HB       ASP   1  -2.394  12.750   0.281
    7    H    VAL   2           H        VAL   2  -5.609  11.323  -1.790
    8    HA   VAL   2           HA       VAL   2  -6.479  10.161   0.642
    9    HB   VAL   2           HB       VAL   2  -6.490   8.880  -2.093
   10   1HG1  VAL   2          1HG1      VAL   2  -8.584   7.801  -1.075
   11   2HG1  VAL   2          2HG1      VAL   2  -7.928   8.320   0.478
   12   3HG1  VAL   2          3HG1      VAL   2  -7.008   7.214  -0.542
   13   1HG2  VAL   2          1HG2      VAL   2  -8.809  10.360  -0.911
   14   2HG2  VAL   2          2HG2      VAL   2  -8.496   9.934  -2.593
   15   3HG2  VAL   2          3HG2      VAL   2  -7.567  11.219  -1.823
   16    H    MET   3           H        MET   3  -5.284   8.991   1.986
   17    HA   MET   3           HA       MET   3  -2.820   7.767   1.131
   18   1HB   MET   3          2HB       MET   3  -4.248   7.747   3.794
   19   2HB   MET   3          1HB       MET   3  -2.659   7.048   3.512
   20   1HG   MET   3          2HG       MET   3  -1.815   9.263   2.876
   21   2HG   MET   3          1HG       MET   3  -3.401   9.949   3.220
   22   1HE   MET   3          1HE       MET   3  -1.759  11.672   5.588
   23   2HE   MET   3          2HE       MET   3  -1.032  11.087   4.092
   24   3HE   MET   3          3HE       MET   3  -0.300  10.683   5.645
   25    H    TRP   4           H        TRP   4  -2.324   5.477   1.579
   26    HA   TRP   4           HA       TRP   4  -4.643   3.701   1.607
   27   1HB   TRP   4          2HB       TRP   4  -2.589   3.752  -0.605
   28   2HB   TRP   4          1HB       TRP   4  -3.722   2.429  -0.344
   29    HD1  TRP   4           HD       TRP   4  -3.786   6.216  -1.159
   30    HE1  TRP   4           1HE      TRP   4  -5.898   6.687  -2.554
   31    HE3  TRP   4           3HE      TRP   4  -5.892   1.565  -1.031
   32    HZ2  TRP   4           2HZ      TRP   4  -8.160   5.269  -3.477
   33    HZ3  TRP   4           3HZ      TRP   4  -8.028   1.205  -2.190
   34    HH2  TRP   4           HH       TRP   4  -9.138   3.017  -3.390
   35    H    GLU   5           H        GLU   5  -4.268   2.275   3.146
   36    HA   GLU   5           HA       GLU   5  -1.658   1.703   4.147
   37   1HB   GLU   5          2HB       GLU   5  -2.815   0.037   5.567
   38   2HB   GLU   5          1HB       GLU   5  -3.561   1.627   5.644
   39   1HG   GLU   5          2HG       GLU   5  -5.500   0.882   4.840
   40   2HG   GLU   5          1HG       GLU   5  -4.715  -0.080   3.587
   41    H    TYR   6           H        TYR   6  -0.862  -0.593   4.352
   42    HA   TYR   6           HA       TYR   6  -1.671  -2.437   2.289
   43   1HB   TYR   6          2HB       TYR   6   0.240  -2.424   0.944
   44   2HB   TYR   6          1HB       TYR   6  -0.085  -0.717   1.206
   45    HD1  TYR   6           1HD      TYR   6   2.038  -3.543   2.343
   46    HD2  TYR   6           2HD      TYR   6   1.554   0.680   2.162
   47    HE1  TYR   6           1HE      TYR   6   4.337  -3.250   3.164
   48    HE2  TYR   6           2HE      TYR   6   3.853   0.982   2.980
   49    HH   TYR   6           HH       TYR   6   5.652  -1.485   4.366
   50    H    LYS   7           H        LYS   7  -1.278  -4.486   2.872
   51    HA   LYS   7           HA       LYS   7   0.691  -4.979   4.995
   52   1HB   LYS   7          2HB       LYS   7  -0.859  -6.708   5.918
   53   2HB   LYS   7          1HB       LYS   7  -1.445  -5.061   6.087
   54   1HG   LYS   7          2HG       LYS   7  -2.924  -5.377   4.179
   55   2HG   LYS   7          1HG       LYS   7  -2.314  -7.020   3.972
   56   1HD   LYS   7          2HD       LYS   7  -3.127  -7.570   6.241
   57   2HD   LYS   7          1HD       LYS   7  -3.806  -5.945   6.366
   58   1HE   LYS   7          2HE       LYS   7  -5.580  -6.468   5.102
   59   2HE   LYS   7          1HE       LYS   7  -4.604  -7.364   3.941
   60   1HZ   LYS   7          1HZ       LYS   7  -4.675  -9.282   5.309
   61   2HZ   LYS   7          2HZ       LYS   7  -6.264  -8.716   5.186
   62   3HZ   LYS   7          3HZ       LYS   7  -5.374  -8.436   6.597
   63    H    TRP   8           H        TRP   8   2.135  -6.477   4.476
   64    HA   TRP   8           HA       TRP   8   2.170  -7.755   1.985
   65   1HB   TRP   8          2HB       TRP   8   3.673  -8.579   4.478
   66   2HB   TRP   8          1HB       TRP   8   4.108  -8.959   2.815
   67    HD1  TRP   8           HD       TRP   8   4.489  -6.300   5.450
   68    HE1  TRP   8           1HE      TRP   8   5.913  -4.368   4.523
   69    HE3  TRP   8           3HE      TRP   8   4.594  -7.651   0.516
   70    HZ2  TRP   8           2HZ      TRP   8   6.947  -3.528   2.040
   71    HZ3  TRP   8           3HZ      TRP   8   5.825  -6.226  -1.068
   72    HH2  TRP   8           HH       TRP   8   6.976  -4.207  -0.320
   73    H    GLU   9           H        GLU   9   1.666  -9.178   5.209
   74    HA   GLU   9           HA       GLU   9   0.900 -11.720   4.191
   75   1HB   GLU   9          2HB       GLU   9   1.435 -10.582   6.732
   76   2HB   GLU   9          1HB       GLU   9  -0.171 -11.290   6.814
   77   1HG   GLU   9          2HG       GLU   9   0.595 -13.416   6.531
   78   2HG   GLU   9          1HG       GLU   9   2.004 -12.904   5.604
   79    H    ASN  10           H        ASN  10  -1.197 -12.713   4.325
   80    HA   ASN  10           HA       ASN  10  -3.336 -10.804   3.737
   81   1HB   ASN  10          2HB       ASN  10  -2.834 -13.668   3.037
   82   2HB   ASN  10          1HB       ASN  10  -4.491 -13.072   3.053
   83   1HD2  ASN  10          1HD2      ASN  10  -5.058 -12.827   1.012
   84   2HD2  ASN  10          2HD2      ASN  10  -4.155 -11.979  -0.192
   85    H    THR  11           H        THR  11  -2.614 -11.062   6.436
   86    HA   THR  11           HA       THR  11  -4.894 -12.544   7.560
   87    HB   THR  11           HB       THR  11  -3.679 -12.922   9.516
   88    HG1  THR  11           1HG      THR  11  -1.714 -11.776   9.956
   89   1HG2  THR  11          1HG2      THR  11  -2.556 -13.810   7.241
   90   2HG2  THR  11          2HG2      THR  11  -1.973 -14.206   8.858
   91   3HG2  THR  11          3HG2      THR  11  -1.211 -12.907   7.938
   92    H    GLY  12           H        GLY  12  -5.928 -11.571   9.459
   93   1HA   GLY  12          2HA       GLY  12  -6.350  -8.731   9.017
   94   2HA   GLY  12          1HA       GLY  12  -7.277  -9.771  10.091
   95    H    ASP  13           H        ASP  13  -4.182 -10.468  10.821
   96    HA   ASP  13           HA       ASP  13  -4.075  -8.409  12.921
   97   1HB   ASP  13          2HB       ASP  13  -3.540 -11.336  12.944
   98   2HB   ASP  13          1HB       ASP  13  -2.528 -10.321  13.967
   99    H    ALA  14           H        ALA  14  -2.351  -9.985  10.350
  100    HA   ALA  14           HA       ALA  14   0.286  -9.542  10.882
  101   1HB   ALA  14          1HB       ALA  14  -1.206  -9.209   8.290
  102   2HB   ALA  14          2HB       ALA  14  -0.312 -10.621   8.859
  103   3HB   ALA  14          3HB       ALA  14   0.554  -9.152   8.407
  104    H    GLU  15           H        GLU  15   1.768  -7.835  10.073
  105    HA   GLU  15           HA       GLU  15   1.333  -5.392  11.232
  106   1HB   GLU  15          2HB       GLU  15   3.134  -4.546   9.646
  107   2HB   GLU  15          1HB       GLU  15   3.552  -5.925  10.650
  108   1HG   GLU  15          2HG       GLU  15   2.603  -7.159   8.427
  109   2HG   GLU  15          1HG       GLU  15   3.324  -5.704   7.740
  110    H    LEU  16           H        LEU  16   0.678  -3.393  10.550
  111    HA   LEU  16           HA       LEU  16  -0.720  -3.292   7.961
  112   1HB   LEU  16          2HB       LEU  16  -1.941  -3.264  10.429
  113   2HB   LEU  16          1HB       LEU  16  -1.829  -1.558  10.037
  114    HG   LEU  16           HG       LEU  16  -3.963  -2.380   9.305
  115   1HD1  LEU  16          1HD1      LEU  16  -1.991  -1.335   7.478
  116   2HD1  LEU  16          2HD1      LEU  16  -3.702  -0.942   7.633
  117   3HD1  LEU  16          3HD1      LEU  16  -3.197  -2.301   6.628
  118   1HD2  LEU  16          1HD2      LEU  16  -3.696  -4.128   7.286
  119   2HD2  LEU  16          2HD2      LEU  16  -3.971  -4.612   8.960
  120   3HD2  LEU  16          3HD2      LEU  16  -2.338  -4.626   8.294
  121    H    TYR  17           H        TYR  17   0.777  -2.137   6.839
  122    HA   TYR  17           HA       TYR  17   1.526   0.499   7.924
  123   1HB   TYR  17          2HB       TYR  17   2.912  -1.119   5.771
  124   2HB   TYR  17          1HB       TYR  17   3.432   0.446   6.376
  125    HD1  TYR  17           1HD      TYR  17   3.623   0.441   9.095
  126    HD2  TYR  17           2HD      TYR  17   4.107  -2.920   6.535
  127    HE1  TYR  17           1HE      TYR  17   4.994  -0.662  10.812
  128    HE2  TYR  17           2HE      TYR  17   5.477  -4.034   8.244
  129    HH   TYR  17           HH       TYR  17   5.739  -3.915  10.760
  130    H    GLY  18           H        GLY  18   2.358   1.637   5.495
  131   1HA   GLY  18          2HA       GLY  18   1.602   2.401   3.436
  132   2HA   GLY  18          1HA       GLY  18   0.137   1.474   3.662
  133    HA   PRO  19           HA       PRO  19  -1.315   5.221   5.961
  134   1HB   PRO  19          2HB       PRO  19   0.138   6.433   7.858
  135   2HB   PRO  19          1HB       PRO  19  -0.631   4.867   8.150
  136   1HG   PRO  19          2HG       PRO  19   2.216   5.479   7.461
  137   2HG   PRO  19          1HG       PRO  19   1.577   4.339   8.658
  138   1HD   PRO  19          2HD       PRO  19   2.438   3.609   6.159
  139   2HD   PRO  19          1HD       PRO  19   1.230   2.707   7.094
  140    H    PHE  20           H        PHE  20   0.735   5.353   3.748
  141    HA   PHE  20           HA       PHE  20   1.523   8.167   3.880
  142   1HB   PHE  20          2HB       PHE  20   2.337   6.390   1.627
  143   2HB   PHE  20          1HB       PHE  20   3.225   7.700   2.398
  144    HD1  PHE  20           1HD      PHE  20   2.181   4.179   2.753
  145    HD2  PHE  20           2HD      PHE  20   4.715   7.282   4.187
  146    HE1  PHE  20           1HE      PHE  20   3.447   2.530   4.072
  147    HE2  PHE  20           2HE      PHE  20   5.986   5.636   5.507
  148    HZ   PHE  20           HZ       PHE  20   5.350   3.261   5.448
  149    H    THR  21           H        THR  21   1.351   9.379   1.783
  150    HA   THR  21           HA       THR  21  -1.347   9.449   0.941
  151    HB   THR  21           HB       THR  21  -0.519  11.127  -0.726
  152    HG1  THR  21           1HG      THR  21   1.497  10.870  -1.235
  153   1HG2  THR  21          1HG2      THR  21   0.147  12.815   0.833
  154   2HG2  THR  21          2HG2      THR  21   0.582  11.597   2.032
  155   3HG2  THR  21          3HG2      THR  21  -1.106  11.817   1.572
  156    H    SER  22           H        SER  22  -2.290   8.966  -1.053
  157    HA   SER  22           HA       SER  22  -1.706   6.568  -2.245
  158   1HB   SER  22          2HB       SER  22  -2.865   7.753  -4.338
  159   2HB   SER  22          1HB       SER  22  -3.780   7.329  -2.893
  160    HG   SER  22           HG       SER  22  -3.307   9.757  -3.948
  161    H    ALA  23           H        ALA  23  -0.312   9.689  -2.855
  162    HA   ALA  23           HA       ALA  23   0.949   9.156  -5.316
  163   1HB   ALA  23          1HB       ALA  23   2.554  11.014  -4.273
  164   2HB   ALA  23          2HB       ALA  23   1.188  11.185  -3.172
  165   3HB   ALA  23          3HB       ALA  23   0.953  11.391  -4.907
  166    H    GLN  24           H        GLN  24   2.041   8.870  -1.956
  167    HA   GLN  24           HA       GLN  24   4.654   7.964  -2.618
  168   1HB   GLN  24          2HB       GLN  24   3.817   9.020  -0.414
  169   2HB   GLN  24          1HB       GLN  24   3.275   7.397  -0.008
  170   1HG   GLN  24          2HG       GLN  24   5.359   7.539   0.987
  171   2HG   GLN  24          1HG       GLN  24   5.683   6.681  -0.519
  172   1HE2  GLN  24          1HE2      GLN  24   7.707   7.258  -0.980
  173   2HE2  GLN  24          2HE2      GLN  24   8.259   8.885  -1.164
  174    H    MET  25           H        MET  25   1.600   6.414  -1.982
  175    HA   MET  25           HA       MET  25   2.656   3.761  -1.809
  176   1HB   MET  25          2HB       MET  25  -0.099   4.924  -2.074
  177   2HB   MET  25          1HB       MET  25   0.152   3.197  -2.279
  178   1HG   MET  25          2HG       MET  25   0.832   4.815   0.165
  179   2HG   MET  25          1HG       MET  25  -0.529   3.710  -0.015
  180   1HE   MET  25          1HE       MET  25  -0.106   1.147  -0.770
  181   2HE   MET  25          2HE       MET  25   1.411   0.289  -0.502
  182   3HE   MET  25          3HE       MET  25   1.272   1.435  -1.835
  183    H    GLN  26           H        GLN  26   1.089   5.682  -4.335
  184    HA   GLN  26           HA       GLN  26   0.959   3.704  -6.310
  185   1HB   GLN  26          2HB       GLN  26  -0.225   5.822  -6.521
  186   2HB   GLN  26          1HB       GLN  26   1.298   6.697  -6.595
  187   1HG   GLN  26          2HG       GLN  26   0.351   6.505  -8.797
  188   2HG   GLN  26          1HG       GLN  26   1.833   5.557  -8.699
  189   1HE2  GLN  26          1HE2      GLN  26   1.551   3.224  -8.272
  190   2HE2  GLN  26          2HE2      GLN  26   0.194   2.425  -8.979
  191    H    THR  27           H        THR  27   3.571   5.849  -5.335
  192    HA   THR  27           HA       THR  27   5.300   5.304  -7.502
  193    HB   THR  27           HB       THR  27   6.007   6.142  -4.683
  194    HG1  THR  27           1HG      THR  27   4.594   7.616  -5.627
  195   1HG2  THR  27          1HG2      THR  27   7.928   7.272  -5.836
  196   2HG2  THR  27          2HG2      THR  27   7.550   6.288  -7.252
  197   3HG2  THR  27          3HG2      THR  27   8.019   5.513  -5.738
  198    H    TRP  28           H        TRP  28   5.128   3.974  -4.208
  199    HA   TRP  28           HA       TRP  28   7.211   2.098  -4.544
  200   1HB   TRP  28          2HB       TRP  28   4.931   2.343  -2.596
  201   2HB   TRP  28          1HB       TRP  28   6.049   0.986  -2.538
  202    HD1  TRP  28           HD       TRP  28   8.762   2.540  -3.085
  203    HE1  TRP  28           1HE      TRP  28   9.716   4.112  -1.283
  204    HE3  TRP  28           3HE      TRP  28   4.484   3.419  -0.426
  205    HZ2  TRP  28           2HZ      TRP  28   8.779   5.537   0.965
  206    HZ3  TRP  28           3HZ      TRP  28   4.600   4.899   1.537
  207    HH2  TRP  28           HH       TRP  28   6.704   5.935   2.217
  208    H    VAL  29           H        VAL  29   3.693   1.847  -4.860
  209    HA   VAL  29           HA       VAL  29   3.621  -0.923  -5.419
  210    HB   VAL  29           HB       VAL  29   1.661   1.259  -6.154
  211   1HG1  VAL  29          1HG1      VAL  29   1.563  -1.704  -6.506
  212   2HG1  VAL  29          2HG1      VAL  29   1.040  -0.425  -7.602
  213   3HG1  VAL  29          3HG1      VAL  29   0.079  -0.811  -6.175
  214   1HG2  VAL  29          1HG2      VAL  29   0.475   0.693  -4.200
  215   2HG2  VAL  29          2HG2      VAL  29   2.164   0.798  -3.708
  216   3HG2  VAL  29          3HG2      VAL  29   1.415  -0.779  -3.959
  217    H    SER  30           H        SER  30   4.161   1.906  -7.401
  218    HA   SER  30           HA       SER  30   4.011   0.353  -9.861
  219   1HB   SER  30          2HB       SER  30   3.047   2.641  -9.778
  220   2HB   SER  30          1HB       SER  30   4.662   3.285  -9.482
  221    HG   SER  30           HG       SER  30   5.255   2.265 -11.517
  222    H    GLU  31           H        GLU  31   6.380   1.877  -7.774
  223    HA   GLU  31           HA       GLU  31   8.601   1.845  -9.455
  224   1HB   GLU  31          2HB       GLU  31   8.195   1.809  -6.507
  225   2HB   GLU  31          1HB       GLU  31   9.796   1.403  -7.110
  226   1HG   GLU  31          2HG       GLU  31   8.351   3.900  -7.937
  227   2HG   GLU  31          1HG       GLU  31   9.375   3.823  -6.503
  228    H    GLY  32           H        GLY  32   7.036  -0.748  -7.725
  229   1HA   GLY  32          2HA       GLY  32   7.314  -2.993  -8.638
  230   2HA   GLY  32          1HA       GLY  32   9.010  -2.611  -8.885
  231    H    TYR  33           H        TYR  33   8.128  -1.306  -5.971
  232    HA   TYR  33           HA       TYR  33   9.735  -2.960  -4.430
  233   1HB   TYR  33          2HB       TYR  33   7.658  -0.914  -3.853
  234   2HB   TYR  33          1HB       TYR  33   8.117  -1.981  -2.531
  235    HD1  TYR  33           1HD      TYR  33  10.407  -1.949  -1.645
  236    HD2  TYR  33           2HD      TYR  33   9.180   0.750  -4.697
  237    HE1  TYR  33           1HE      TYR  33  12.387  -0.560  -1.204
  238    HE2  TYR  33           2HE      TYR  33  11.158   2.147  -4.266
  239    HH   TYR  33           HH       TYR  33  13.677   1.465  -3.117
  240    H    PHE  34           H        PHE  34   6.411  -3.334  -5.373
  241    HA   PHE  34           HA       PHE  34   6.226  -5.747  -3.688
  242   1HB   PHE  34          2HB       PHE  34   3.804  -4.388  -4.821
  243   2HB   PHE  34          1HB       PHE  34   3.938  -5.413  -3.398
  244    HD1  PHE  34           1HD      PHE  34   6.326  -3.985  -2.159
  245    HD2  PHE  34           2HD      PHE  34   2.689  -2.557  -3.843
  246    HE1  PHE  34           1HE      PHE  34   6.459  -1.980  -0.737
  247    HE2  PHE  34           2HE      PHE  34   2.817  -0.553  -2.424
  248    HZ   PHE  34           HZ       PHE  34   4.701  -0.260  -0.872
  249    HA   PRO  35           HA       PRO  35   6.595  -7.215  -8.081
  250   1HB   PRO  35          2HB       PRO  35   7.349  -9.632  -6.521
  251   2HB   PRO  35          1HB       PRO  35   8.124  -8.923  -7.942
  252   1HG   PRO  35          2HG       PRO  35   9.211  -8.663  -5.524
  253   2HG   PRO  35          1HG       PRO  35   9.255  -7.330  -6.693
  254   1HD   PRO  35          2HD       PRO  35   7.521  -7.688  -4.287
  255   2HD   PRO  35          1HD       PRO  35   8.250  -6.208  -4.944
  256    H    ASP  36           H        ASP  36   5.009  -8.490  -5.228
  257    HA   ASP  36           HA       ASP  36   3.104  -9.909  -6.960
  258   1HB   ASP  36          2HB       ASP  36   4.343 -11.411  -5.482
  259   2HB   ASP  36          1HB       ASP  36   3.855 -10.459  -4.084
  260    H    GLY  37           H        GLY  37   3.309  -7.038  -5.662
  261   1HA   GLY  37          2HA       GLY  37   1.698  -5.481  -5.125
  262   2HA   GLY  37          1HA       GLY  37   0.485  -6.736  -5.342
  263    H    VAL  38           H        VAL  38  -0.395  -5.488  -3.433
  264    HA   VAL  38           HA       VAL  38   0.171  -7.007  -1.057
  265    HB   VAL  38           HB       VAL  38   0.430  -4.872   0.336
  266   1HG1  VAL  38          1HG1      VAL  38   2.696  -5.193   0.417
  267   2HG1  VAL  38          2HG1      VAL  38   2.856  -5.296  -1.336
  268   3HG1  VAL  38          3HG1      VAL  38   2.204  -6.661  -0.429
  269   1HG2  VAL  38          1HG2      VAL  38  -0.081  -3.215  -1.324
  270   2HG2  VAL  38          2HG2      VAL  38   1.194  -3.816  -2.385
  271   3HG2  VAL  38          3HG2      VAL  38   1.612  -3.031  -0.863
  272    H    TYR  39           H        TYR  39  -1.349  -6.509   0.698
  273    HA   TYR  39           HA       TYR  39  -3.977  -6.082  -0.332
  274   1HB   TYR  39          2HB       TYR  39  -2.768  -7.134   2.063
  275   2HB   TYR  39          1HB       TYR  39  -4.050  -6.009   2.487
  276    HD1  TYR  39           1HD      TYR  39  -5.873  -6.533   0.127
  277    HD2  TYR  39           2HD      TYR  39  -3.752  -9.174   2.700
  278    HE1  TYR  39           1HE      TYR  39  -7.541  -8.287  -0.306
  279    HE2  TYR  39           2HE      TYR  39  -5.414 -10.935   2.273
  280    HH   TYR  39           HH       TYR  39  -7.063 -11.520   0.495
  281    H    CYS  40           H        CYS  40  -4.057  -3.975  -1.104
  282    HA   CYS  40           HA       CYS  40  -3.423  -1.797   0.702
  283   1HB   CYS  40          2HB       CYS  40  -3.886  -2.080  -2.202
  284   2HB   CYS  40          1HB       CYS  40  -4.380  -0.549  -1.488
  285    HG   CYS  40           HG       CYS  40  -1.954  -0.043  -0.891
  286    H    ARG  41           H        ARG  41  -4.878  -0.063   1.120
  287    HA   ARG  41           HA       ARG  41  -7.630  -0.121   0.570
  288   1HB   ARG  41          2HB       ARG  41  -6.729  -1.704   2.852
  289   2HB   ARG  41          1HB       ARG  41  -7.924  -0.493   3.295
  290   1HG   ARG  41          2HG       ARG  41  -8.813  -1.738   0.921
  291   2HG   ARG  41          1HG       ARG  41  -8.306  -3.006   2.039
  292   1HD   ARG  41          2HD       ARG  41 -10.444  -2.743   2.769
  293   2HD   ARG  41          1HD       ARG  41  -9.669  -1.501   3.751
  294    HE   ARG  41           HE       ARG  41 -10.701  -0.628   1.185
  295   1HH1  ARG  41          1HH1      ARG  41 -11.274  -0.942   4.616
  296   2HH1  ARG  41          2HH1      ARG  41 -12.507   0.273   4.647
  297   1HH2  ARG  41          1HH2      ARG  41 -12.324   0.968   1.227
  298   2HH2  ARG  41          2HH2      ARG  41 -13.103   1.356   2.726
  299    H    LYS  42           H        LYS  42  -8.617   1.778   1.205
  300    HA   LYS  42           HA       LYS  42  -6.961   3.941   1.907
  301   1HB   LYS  42          2HB       LYS  42  -9.965   3.863   2.164
  302   2HB   LYS  42          1HB       LYS  42  -8.943   5.252   1.851
  303   1HG   LYS  42          2HG       LYS  42  -9.347   4.975  -0.305
  304   2HG   LYS  42          1HG       LYS  42  -8.392   3.494  -0.229
  305   1HD   LYS  42          2HD       LYS  42 -10.208   2.181  -0.385
  306   2HD   LYS  42          1HD       LYS  42 -11.144   3.185   0.723
  307   1HE   LYS  42          2HE       LYS  42 -11.303   4.847  -1.218
  308   2HE   LYS  42          1HE       LYS  42 -10.750   3.516  -2.234
  309   1HZ   LYS  42          1HZ       LYS  42 -13.108   3.541  -2.283
  310   2HZ   LYS  42          2HZ       LYS  42 -13.222   3.618  -0.598
  311   3HZ   LYS  42          3HZ       LYS  42 -12.655   2.210  -1.344
  312    H    LEU  43           H        LEU  43  -6.341   4.683   3.812
  313    HA   LEU  43           HA       LEU  43  -6.547   3.344   6.184
  314   1HB   LEU  43          2HB       LEU  43  -6.415   6.344   6.102
  315   2HB   LEU  43          1HB       LEU  43  -5.674   5.253   7.258
  316    HG   LEU  43           HG       LEU  43  -4.849   5.617   4.375
  317   1HD1  LEU  43          1HD1      LEU  43  -2.774   6.484   5.377
  318   2HD1  LEU  43          2HD1      LEU  43  -3.534   6.395   6.966
  319   3HD1  LEU  43          3HD1      LEU  43  -4.184   7.480   5.737
  320   1HD2  LEU  43          1HD2      LEU  43  -4.413   3.366   4.844
  321   2HD2  LEU  43          2HD2      LEU  43  -3.937   3.713   6.507
  322   3HD2  LEU  43          3HD2      LEU  43  -2.887   4.189   5.172
  323    H    ASP  44           H        ASP  44  -8.602   6.055   5.132
  324    HA   ASP  44           HA       ASP  44 -10.567   5.217   7.157
  325   1HB   ASP  44          2HB       ASP  44  -9.333   7.468   7.478
  326   2HB   ASP  44          1HB       ASP  44 -10.338   8.039   6.152
  327    HA   PRO  45           HA       PRO  45 -12.404   4.684   7.502
  328   1HB   PRO  45          2HB       PRO  45 -14.149   2.672   6.388
  329   2HB   PRO  45          1HB       PRO  45 -14.569   4.041   7.416
  330   1HG   PRO  45          2HG       PRO  45 -15.315   3.814   4.791
  331   2HG   PRO  45          1HG       PRO  45 -15.138   5.359   5.641
  332   1HD   PRO  45          2HD       PRO  45 -13.242   3.996   3.764
  333   2HD   PRO  45          1HD       PRO  45 -13.657   5.720   3.895
  334    HA   PRO  46           HA       PRO  46  -9.652   1.216   6.963
  335   1HB   PRO  46          2HB       PRO  46  -9.251   0.603   9.526
  336   2HB   PRO  46          1HB       PRO  46  -8.667   2.130   8.855
  337   1HG   PRO  46          2HG       PRO  46 -11.070   1.599  10.546
  338   2HG   PRO  46          1HG       PRO  46  -9.945   2.967  10.594
  339   1HD   PRO  46          2HD       PRO  46 -12.433   2.965   9.344
  340   2HD   PRO  46          1HD       PRO  46 -11.123   4.115   9.023
  341    H    GLY  47           H        GLY  47 -10.061  -0.851   6.439
  342   1HA   GLY  47          2HA       GLY  47 -10.774  -3.054   6.864
  343   2HA   GLY  47          1HA       GLY  47 -11.843  -2.442   8.115
  344    H    GLY  48           H        GLY  48 -11.533  -3.340   4.819
  345   1HA   GLY  48          2HA       GLY  48 -14.366  -3.428   4.480
  346   2HA   GLY  48          1HA       GLY  48 -13.657  -2.099   3.576
  347    H    GLN  49           H        GLN  49 -14.366  -3.095   1.637
  348    HA   GLN  49           HA       GLN  49 -13.597  -5.706   0.869
  349   1HB   GLN  49          2HB       GLN  49 -14.513  -3.293  -0.675
  350   2HB   GLN  49          1HB       GLN  49 -14.069  -4.792  -1.480
  351   1HG   GLN  49          2HG       GLN  49 -15.855  -5.438   0.620
  352   2HG   GLN  49          1HG       GLN  49 -16.537  -4.080  -0.275
  353   1HE2  GLN  49          1HE2      GLN  49 -16.562  -4.335  -2.664
  354   2HE2  GLN  49          2HE2      GLN  49 -16.927  -5.899  -3.301
  355    H    PHE  50           H        PHE  50 -11.357  -5.566   1.608
  356    HA   PHE  50           HA       PHE  50  -9.330  -3.995   0.741
  357   1HB   PHE  50          2HB       PHE  50  -9.539  -6.796   1.591
  358   2HB   PHE  50          1HB       PHE  50  -8.120  -6.451   0.609
  359    HD1  PHE  50           1HD      PHE  50  -6.355  -5.044   1.423
  360    HD2  PHE  50           2HD      PHE  50  -9.842  -5.738   3.761
  361    HE1  PHE  50           1HE      PHE  50  -5.212  -4.117   3.394
  362    HE2  PHE  50           2HE      PHE  50  -8.706  -4.811   5.737
  363    HZ   PHE  50           HZ       PHE  50  -6.388  -3.999   5.555
  364    H    TYR  51           H        TYR  51  -7.669  -4.245  -0.906
  365    HA   TYR  51           HA       TYR  51  -8.307  -5.769  -3.275
  366   1HB   TYR  51          2HB       TYR  51  -8.646  -2.797  -3.148
  367   2HB   TYR  51          1HB       TYR  51  -8.071  -3.531  -4.641
  368    HD1  TYR  51           1HD      TYR  51 -10.924  -2.584  -2.807
  369    HD2  TYR  51           2HD      TYR  51  -9.521  -5.535  -5.531
  370    HE1  TYR  51           1HE      TYR  51 -13.244  -3.096  -3.437
  371    HE2  TYR  51           2HE      TYR  51 -11.838  -6.056  -6.169
  372    HH   TYR  51           HH       TYR  51 -14.541  -4.855  -4.418
  373    H    ASN  52           H        ASN  52  -6.504  -6.294  -4.382
  374    HA   ASN  52           HA       ASN  52  -3.970  -5.839  -3.290
  375   1HB   ASN  52          2HB       ASN  52  -4.736  -7.697  -4.896
  376   2HB   ASN  52          1HB       ASN  52  -4.419  -6.541  -6.185
  377   1HD2  ASN  52          1HD2      ASN  52  -2.829  -7.711  -3.233
  378   2HD2  ASN  52          2HD2      ASN  52  -1.267  -7.898  -3.946
  379    H    SER  53           H        SER  53  -2.369  -4.390  -3.692
  380    HA   SER  53           HA       SER  53  -2.967  -1.832  -4.571
  381   1HB   SER  53          2HB       SER  53  -0.643  -1.350  -4.400
  382   2HB   SER  53          1HB       SER  53  -0.963  -2.592  -3.189
  383    HG   SER  53           HG       SER  53   0.203  -2.940  -5.751
  384    H    LYS  54           H        LYS  54  -1.903  -4.618  -6.383
  385    HA   LYS  54           HA       LYS  54  -1.273  -3.143  -8.767
  386   1HB   LYS  54          2HB       LYS  54  -1.687  -6.098  -8.290
  387   2HB   LYS  54          1HB       LYS  54  -1.145  -5.404  -9.813
  388   1HG   LYS  54          2HG       LYS  54   0.766  -4.381  -8.454
  389   2HG   LYS  54          1HG       LYS  54   0.293  -5.516  -7.188
  390   1HD   LYS  54          2HD       LYS  54   1.613  -7.002  -8.202
  391   2HD   LYS  54          1HD       LYS  54   0.388  -7.080  -9.469
  392   1HE   LYS  54          2HE       LYS  54   2.588  -5.033  -9.486
  393   2HE   LYS  54          1HE       LYS  54   2.791  -6.634 -10.194
  394   1HZ   LYS  54          1HZ       LYS  54   1.340  -6.177 -11.874
  395   2HZ   LYS  54          2HZ       LYS  54   1.956  -4.623 -11.619
  396   3HZ   LYS  54          3HZ       LYS  54   0.451  -5.051 -10.976
  397    H    ARG  55           H        ARG  55  -4.167  -3.837  -7.305
  398    HA   ARG  55           HA       ARG  55  -5.583  -3.937  -9.884
  399   1HB   ARG  55          2HB       ARG  55  -5.797  -5.763  -7.911
  400   2HB   ARG  55          1HB       ARG  55  -7.053  -4.636  -7.413
  401   1HG   ARG  55          2HG       ARG  55  -8.363  -5.072  -9.233
  402   2HG   ARG  55          1HG       ARG  55  -6.993  -5.528 -10.248
  403   1HD   ARG  55          2HD       ARG  55  -6.776  -7.631  -9.112
  404   2HD   ARG  55          1HD       ARG  55  -7.994  -7.165  -7.926
  405    HE   ARG  55           HE       ARG  55  -9.609  -7.808  -9.403
  406   1HH1  ARG  55          1HH1      ARG  55  -6.637  -7.313 -11.165
  407   2HH1  ARG  55          2HH1      ARG  55  -7.276  -7.911 -12.658
  408   1HH2  ARG  55          1HH2      ARG  55 -10.451  -8.595 -11.366
  409   2HH2  ARG  55          2HH2      ARG  55  -9.442  -8.639 -12.773
  410    H    ILE  56           H        ILE  56  -4.699  -1.785  -7.625
  411    HA   ILE  56           HA       ILE  56  -7.255  -0.333  -7.660
  412    HB   ILE  56           HB       ILE  56  -4.842   0.070  -5.895
  413   1HG1  ILE  56          2HG1      ILE  56  -7.590  -1.067  -5.350
  414   2HG1  ILE  56          1HG1      ILE  56  -6.066  -1.946  -5.322
  415   1HG2  ILE  56          1HG2      ILE  56  -6.329   1.635  -4.652
  416   2HG2  ILE  56          2HG2      ILE  56  -7.493   1.503  -5.970
  417   3HG2  ILE  56          3HG2      ILE  56  -5.897   2.193  -6.269
  418   1HD1  ILE  56          1HD1      ILE  56  -5.998   0.314  -3.539
  419   2HD1  ILE  56          2HD1      ILE  56  -5.709  -1.394  -3.211
  420   3HD1  ILE  56          3HD1      ILE  56  -7.353  -0.756  -3.180
  421    H    ASP  57           H        ASP  57  -7.269   1.908  -8.179
  422    HA   ASP  57           HA       ASP  57  -5.019   2.719  -9.900
  423   1HB   ASP  57          2HB       ASP  57  -7.350   2.317 -10.926
  424   2HB   ASP  57          1HB       ASP  57  -7.815   3.814 -10.123
  425    H    PHE  58           H        PHE  58  -3.834   3.775  -8.307
  426    HA   PHE  58           HA       PHE  58  -4.913   5.640  -6.487
  427   1HB   PHE  58          2HB       PHE  58  -2.084   5.433  -7.536
  428   2HB   PHE  58          1HB       PHE  58  -2.585   6.326  -6.104
  429    HD1  PHE  58           1HD      PHE  58  -1.700   3.109  -7.463
  430    HD2  PHE  58           2HD      PHE  58  -3.459   5.086  -4.131
  431    HE1  PHE  58           1HE      PHE  58  -1.381   1.086  -6.099
  432    HE2  PHE  58           2HE      PHE  58  -3.142   3.068  -2.760
  433    HZ   PHE  58           HZ       PHE  58  -2.099   1.063  -3.744
  434    H    ASP  59           H        ASP  59  -4.022   5.876  -9.808
  435    HA   ASP  59           HA       ASP  59  -3.693   8.714  -9.880
  436   1HB   ASP  59          2HB       ASP  59  -4.282   6.786 -12.137
  437   2HB   ASP  59          1HB       ASP  59  -3.728   8.449 -12.317
  438    H    LEU  60           H        LEU  60  -6.405   6.770  -9.514
  439    HA   LEU  60           HA       LEU  60  -8.190   8.632 -10.856
  440   1HB   LEU  60          2HB       LEU  60  -8.544   5.892  -9.694
  441   2HB   LEU  60          1HB       LEU  60  -9.933   6.899 -10.052
  442    HG   LEU  60           HG       LEU  60  -7.861   6.071 -12.086
  443   1HD1  LEU  60          1HD1      LEU  60  -9.124   4.283 -12.675
  444   2HD1  LEU  60          2HD1      LEU  60 -10.634   5.039 -12.166
  445   3HD1  LEU  60          3HD1      LEU  60  -9.547   4.343 -10.963
  446   1HD2  LEU  60          1HD2      LEU  60  -8.810   8.028 -12.897
  447   2HD2  LEU  60          2HD2      LEU  60 -10.392   7.666 -12.205
  448   3HD2  LEU  60          3HD2      LEU  60  -9.820   6.774 -13.614
  449    H    TYR  61           H        TYR  61  -6.725   9.349  -8.426
  450    HA   TYR  61           HA       TYR  61  -9.036  10.137  -6.813
  451   1HB   TYR  61          2HB       TYR  61  -6.537   8.807  -5.765
  452   2HB   TYR  61          1HB       TYR  61  -7.639   9.717  -4.739
  453    HD1  TYR  61           1HD      TYR  61  -7.143   6.634  -6.628
  454    HD2  TYR  61           2HD      TYR  61  -9.882   8.866  -4.259
  455    HE1  TYR  61           1HE      TYR  61  -8.530   4.623  -6.348
  456    HE2  TYR  61           2HE      TYR  61 -11.276   6.860  -3.970
  457    HH   TYR  61           HH       TYR  61 -10.627   4.131  -4.108
  458    H    THR  62           H        THR  62  -5.509  10.502  -7.175
  459    HA   THR  62           HA       THR  62  -5.300  13.009  -5.954
  460    HB   THR  62           HB       THR  62  -3.155  13.212  -7.154
  461    HG1  THR  62           1HG      THR  62  -4.011  10.875  -8.511
  462   1HG2  THR  62          1HG2      THR  62  -3.725  11.340  -5.274
  463   2HG2  THR  62          2HG2      THR  62  -2.114  11.693  -5.898
  464   3HG2  THR  62          3HG2      THR  62  -3.044  10.354  -6.569
  465   1H    SER  63          1HT       SER  63  18.449   5.406  -9.296
  466   2H    SER  63          2HT       SER  63  17.990   3.761  -9.460
  467   3H    SER  63          3HT       SER  63  19.032   4.241  -8.183
  468    HA   SER  63           HA       SER  63  16.239   5.098  -8.542
  469   1HB   SER  63          2HB       SER  63  16.233   3.651  -6.285
  470   2HB   SER  63          1HB       SER  63  15.959   2.922  -7.867
  471    HG   SER  63           HG       SER  63  18.008   2.553  -6.125
  472    H    HIS  64           H        HIS  64  15.583   5.511  -6.005
  473    HA   HIS  64           HA       HIS  64  17.549   6.887  -4.469
  474   1HB   HIS  64          2HB       HIS  64  16.823   8.427  -6.503
  475   2HB   HIS  64          1HB       HIS  64  15.449   8.764  -5.455
  476    HD1  HIS  64           1HD      HIS  64  17.316   8.589  -2.805
  477    HD2  HIS  64           2HD      HIS  64  17.856  11.006  -6.140
  478    HE1  HIS  64           1HE      HIS  64  18.712  10.525  -2.013
  479    HE2  HIS  64           2HE      HIS  64  19.101  11.927  -4.069
  480    H    ARG  65           H        ARG  65  14.104   6.512  -5.191
  481    HA   ARG  65           HA       ARG  65  12.983   7.313  -2.809
  482   1HB   ARG  65          2HB       ARG  65  11.596   6.724  -4.676
  483   2HB   ARG  65          1HB       ARG  65  12.184   5.070  -4.662
  484   1HG   ARG  65          2HG       ARG  65  10.337   4.596  -3.522
  485   2HG   ARG  65          1HG       ARG  65  11.135   5.351  -2.143
  486   1HD   ARG  65          2HD       ARG  65   9.141   6.551  -4.042
  487   2HD   ARG  65          1HD       ARG  65   9.014   6.369  -2.293
  488    HE   ARG  65           HE       ARG  65  11.149   7.988  -2.563
  489   1HH1  ARG  65          1HH1      ARG  65   7.928   8.108  -3.904
  490   2HH1  ARG  65          2HH1      ARG  65   7.892   9.838  -3.981
  491   1HH2  ARG  65          1HH2      ARG  65  11.099  10.261  -2.659
  492   2HH2  ARG  65          2HH2      ARG  65   9.691  11.060  -3.275
  493    HA   PRO  66           HA       PRO  66  14.514   4.375   0.133
  494   1HB   PRO  66          2HB       PRO  66  12.861   4.903   2.189
  495   2HB   PRO  66          1HB       PRO  66  14.119   6.034   1.678
  496   1HG   PRO  66          2HG       PRO  66  11.185   6.079   1.107
  497   2HG   PRO  66          1HG       PRO  66  12.268   7.423   1.512
  498   1HD   PRO  66          2HD       PRO  66  11.455   6.820  -1.038
  499   2HD   PRO  66          1HD       PRO  66  12.966   7.666  -0.657
  500    HA   PRO  67           HA       PRO  67  11.778   0.896   0.216
  501   1HB   PRO  67          2HB       PRO  67  12.729  -0.504   2.278
  502   2HB   PRO  67          1HB       PRO  67  13.731  -0.172   0.861
  503   1HG   PRO  67          2HG       PRO  67  13.800   1.070   3.561
  504   2HG   PRO  67          1HG       PRO  67  15.128   0.756   2.432
  505   1HD   PRO  67          2HD       PRO  67  13.779   3.210   2.821
  506   2HD   PRO  67          1HD       PRO  67  14.924   2.824   1.525
  507    HA   PRO  68           HA       PRO  68   8.353   2.044   2.898
  508   1HB   PRO  68          2HB       PRO  68   7.275  -0.568   2.004
  509   2HB   PRO  68          1HB       PRO  68   6.554   1.041   1.900
  510   1HG   PRO  68          2HG       PRO  68   7.516  -0.184  -0.271
  511   2HG   PRO  68          1HG       PRO  68   7.685   1.567  -0.049
  512   1HD   PRO  68          2HD       PRO  68   9.715  -0.598   0.322
  513   2HD   PRO  68          1HD       PRO  68   9.912   1.030  -0.361
  514    HA   PRO  69           HA       PRO  69   8.827  -0.190   6.669
  515   1HB   PRO  69          2HB       PRO  69   6.202  -0.730   7.369
  516   2HB   PRO  69          1HB       PRO  69   7.046   0.783   7.696
  517   1HG   PRO  69          2HG       PRO  69   5.126   0.110   5.520
  518   2HG   PRO  69          1HG       PRO  69   5.330   1.625   6.412
  519   1HD   PRO  69          2HD       PRO  69   6.239   1.298   3.893
  520   2HD   PRO  69          1HD       PRO  69   7.084   2.318   5.076
  521    H    GLY  70           H        GLY  70   7.888  -2.216   7.862
  522   1HA   GLY  70          2HA       GLY  70   7.388  -4.471   7.854
  523   2HA   GLY  70          1HA       GLY  70   6.944  -4.334   6.162
  524    H    HIS  71           H        HIS  71   8.669  -4.304   4.576
  525    HA   HIS  71           HA       HIS  71  10.388  -5.444   3.603
  526   1HB   HIS  71          2HB       HIS  71  12.529  -4.675   4.271
  527   2HB   HIS  71          1HB       HIS  71  11.414  -3.381   4.655
  528    HD1  HIS  71           1HD      HIS  71  12.813  -2.359   6.414
  529    HD2  HIS  71           2HD      HIS  71  12.060  -6.353   7.186
  530    HE1  HIS  71           1HE      HIS  71  13.607  -2.740   8.770
  531    HE2  HIS  71           2HE      HIS  71  13.055  -5.152   9.244
  532    H    ARG  72           H        ARG  72  12.649  -6.676   4.533
  533    HA   ARG  72           HA       ARG  72  12.369  -8.425   6.665
  534   1HB   ARG  72          2HB       ARG  72  11.798 -10.540   5.488
  535   2HB   ARG  72          1HB       ARG  72  10.466  -9.394   5.534
  536   1HG   ARG  72          2HG       ARG  72  11.849  -8.853   3.161
  537   2HG   ARG  72          1HG       ARG  72  11.751 -10.611   3.276
  538   1HD   ARG  72          2HD       ARG  72   9.292  -9.090   3.907
  539   2HD   ARG  72          1HD       ARG  72   9.808  -9.101   2.221
  540    HE   ARG  72           HE       ARG  72   9.846 -11.725   3.255
  541   1HH1  ARG  72          1HH1      ARG  72   7.615  -9.236   2.254
  542   2HH1  ARG  72          2HH1      ARG  72   6.369 -10.357   1.813
  543   1HH2  ARG  72          1HH2      ARG  72   8.209 -13.200   2.675
  544   2HH2  ARG  72          2HH2      ARG  72   6.706 -12.606   2.052
  545    H    VAL  73           H        VAL  73  14.563  -7.915   6.782
  546    HA   VAL  73           HA       VAL  73  16.369  -8.484   4.632
  547    HB   VAL  73           HB       VAL  73  18.140  -8.128   6.410
  548   1HG1  VAL  73          1HG1      VAL  73  17.944  -5.785   6.320
  549   2HG1  VAL  73          2HG1      VAL  73  16.183  -5.854   6.250
  550   3HG1  VAL  73          3HG1      VAL  73  17.143  -6.374   4.865
  551   1HG2  VAL  73          1HG2      VAL  73  16.015  -6.994   8.156
  552   2HG2  VAL  73          2HG2      VAL  73  17.618  -7.598   8.573
  553   3HG2  VAL  73          3HG2      VAL  73  16.315  -8.731   8.217
  Start of MODEL    6
    1   1H    ASP   1          1HT       ASP   1  -5.702  14.728   1.725
    2   2H    ASP   1          2HT       ASP   1  -4.436  15.790   1.260
    3   3H    ASP   1          3HT       ASP   1  -4.156  14.589   2.453
    4    HA   ASP   1           HA       ASP   1  -4.727  14.173  -0.404
    5   1HB   ASP   1          2HB       ASP   1  -2.282  13.607   1.290
    6   2HB   ASP   1          1HB       ASP   1  -2.439  13.297  -0.436
    7    H    VAL   2           H        VAL   2  -5.271  12.146  -1.025
    8    HA   VAL   2           HA       VAL   2  -6.353  10.360   0.872
    9    HB   VAL   2           HB       VAL   2  -5.641   9.776  -2.005
   10   1HG1  VAL   2          1HG1      VAL   2  -6.087   7.753  -0.772
   11   2HG1  VAL   2          2HG1      VAL   2  -7.455   8.101  -1.827
   12   3HG1  VAL   2          3HG1      VAL   2  -7.564   8.445  -0.101
   13   1HG2  VAL   2          1HG2      VAL   2  -8.387  10.515  -1.112
   14   2HG2  VAL   2          2HG2      VAL   2  -7.630  10.691  -2.695
   15   3HG2  VAL   2          3HG2      VAL   2  -7.201  11.790  -1.385
   16    H    MET   3           H        MET   3  -5.640   8.391   1.632
   17    HA   MET   3           HA       MET   3  -2.835   7.695   1.064
   18   1HB   MET   3          2HB       MET   3  -4.249   7.715   3.730
   19   2HB   MET   3          1HB       MET   3  -2.698   6.934   3.456
   20   1HG   MET   3          2HG       MET   3  -1.706   9.066   2.854
   21   2HG   MET   3          1HG       MET   3  -3.264   9.863   3.065
   22   1HE   MET   3          1HE       MET   3  -1.240  11.227   4.199
   23   2HE   MET   3          2HE       MET   3  -0.060  10.169   4.972
   24   3HE   MET   3          3HE       MET   3  -1.089  11.209   5.956
   25    H    TRP   4           H        TRP   4  -2.311   5.404   1.571
   26    HA   TRP   4           HA       TRP   4  -4.611   3.607   1.565
   27   1HB   TRP   4          2HB       TRP   4  -2.509   3.628  -0.602
   28   2HB   TRP   4          1HB       TRP   4  -3.689   2.342  -0.366
   29    HD1  TRP   4           HD       TRP   4  -3.626   6.133  -1.175
   30    HE1  TRP   4           1HE      TRP   4  -5.682   6.663  -2.630
   31    HE3  TRP   4           3HE      TRP   4  -5.845   1.531  -1.138
   32    HZ2  TRP   4           2HZ      TRP   4  -7.947   5.306  -3.627
   33    HZ3  TRP   4           3HZ      TRP   4  -7.954   1.231  -2.364
   34    HH2  TRP   4           HH       TRP   4  -8.980   3.077  -3.587
   35    H    GLU   5           H        GLU   5  -4.235   2.227   3.146
   36    HA   GLU   5           HA       GLU   5  -1.621   1.667   4.145
   37   1HB   GLU   5          2HB       GLU   5  -2.749   0.089   5.647
   38   2HB   GLU   5          1HB       GLU   5  -3.567   1.643   5.628
   39   1HG   GLU   5          2HG       GLU   5  -5.462   0.760   4.873
   40   2HG   GLU   5          1HG       GLU   5  -4.628  -0.211   3.659
   41    H    TYR   6           H        TYR   6  -0.672  -0.515   4.257
   42    HA   TYR   6           HA       TYR   6  -1.569  -2.384   2.214
   43   1HB   TYR   6          2HB       TYR   6   0.376  -2.411   0.937
   44   2HB   TYR   6          1HB       TYR   6   0.150  -0.697   1.254
   45    HD1  TYR   6           1HD      TYR   6   1.819   0.553   2.369
   46    HD2  TYR   6           2HD      TYR   6   2.056  -3.694   2.312
   47    HE1  TYR   6           1HE      TYR   6   4.097   0.673   3.291
   48    HE2  TYR   6           2HE      TYR   6   4.332  -3.586   3.234
   49    HH   TYR   6           HH       TYR   6   5.792  -2.160   4.376
   50    H    LYS   7           H        LYS   7  -1.195  -4.469   2.721
   51    HA   LYS   7           HA       LYS   7   0.552  -5.033   5.020
   52   1HB   LYS   7          2HB       LYS   7  -1.791  -5.148   5.735
   53   2HB   LYS   7          1HB       LYS   7  -2.145  -6.278   4.436
   54   1HG   LYS   7          2HG       LYS   7  -0.438  -7.818   5.492
   55   2HG   LYS   7          1HG       LYS   7  -0.467  -6.731   6.883
   56   1HD   LYS   7          2HD       LYS   7  -2.966  -7.955   5.737
   57   2HD   LYS   7          1HD       LYS   7  -2.004  -8.757   6.980
   58   1HE   LYS   7          2HE       LYS   7  -2.405  -6.084   7.815
   59   2HE   LYS   7          1HE       LYS   7  -3.963  -6.703   7.271
   60   1HZ   LYS   7          1HZ       LYS   7  -3.724  -7.198   9.570
   61   2HZ   LYS   7          2HZ       LYS   7  -2.194  -7.882   9.340
   62   3HZ   LYS   7          3HZ       LYS   7  -3.567  -8.657   8.727
   63    H    TRP   8           H        TRP   8   2.114  -6.429   4.538
   64    HA   TRP   8           HA       TRP   8   2.505  -7.566   2.046
   65   1HB   TRP   8          2HB       TRP   8   3.570  -8.374   4.755
   66   2HB   TRP   8          1HB       TRP   8   4.124  -9.103   3.254
   67    HD1  TRP   8           HD       TRP   8   5.054  -6.475   5.574
   68    HE1  TRP   8           1HE      TRP   8   6.667  -4.788   4.493
   69    HE3  TRP   8           3HE      TRP   8   4.407  -7.755   0.663
   70    HZ2  TRP   8           2HZ      TRP   8   7.552  -4.093   1.908
   71    HZ3  TRP   8           3HZ      TRP   8   5.679  -6.529  -1.049
   72    HH2  TRP   8           HH       TRP   8   7.217  -4.734  -0.437
   73    H    GLU   9           H        GLU   9   1.166  -9.058   4.969
   74    HA   GLU   9           HA       GLU   9   0.333 -11.371   3.360
   75   1HB   GLU   9          2HB       GLU   9   1.182 -11.008   6.144
   76   2HB   GLU   9          1HB       GLU   9  -0.248 -12.015   5.969
   77   1HG   GLU   9          2HG       GLU   9   0.907 -13.541   4.552
   78   2HG   GLU   9          1HG       GLU   9   2.303 -12.470   4.444
   79    H    ASN  10           H        ASN  10  -1.763 -12.378   4.591
   80    HA   ASN  10           HA       ASN  10  -3.743 -10.213   4.812
   81   1HB   ASN  10          2HB       ASN  10  -4.317 -12.838   3.439
   82   2HB   ASN  10          1HB       ASN  10  -5.298 -11.376   3.436
   83   1HD2  ASN  10          1HD2      ASN  10  -4.379 -12.846   1.167
   84   2HD2  ASN  10          2HD2      ASN  10  -3.379 -11.784   0.241
   85    H    THR  11           H        THR  11  -2.460 -11.507   6.951
   86    HA   THR  11           HA       THR  11  -4.508 -13.326   8.004
   87    HB   THR  11           HB       THR  11  -2.912 -14.268   9.382
   88    HG1  THR  11           1HG      THR  11  -1.227 -13.196  10.245
   89   1HG2  THR  11          1HG2      THR  11  -2.183 -14.158   6.823
   90   2HG2  THR  11          2HG2      THR  11  -1.231 -14.968   8.069
   91   3HG2  THR  11          3HG2      THR  11  -0.803 -13.337   7.553
   92    H    GLY  12           H        GLY  12  -4.708 -13.113  10.507
   93   1HA   GLY  12          2HA       GLY  12  -5.591 -10.392  11.008
   94   2HA   GLY  12          1HA       GLY  12  -5.885 -11.792  12.031
   95    H    ASP  13           H        ASP  13  -2.655 -11.715  11.193
   96    HA   ASP  13           HA       ASP  13  -1.962 -10.300  13.680
   97   1HB   ASP  13          2HB       ASP  13  -0.904 -12.833  12.477
   98   2HB   ASP  13          1HB       ASP  13   0.138 -11.855  13.506
   99    H    ALA  14           H        ALA  14  -1.182 -10.839  10.302
  100    HA   ALA  14           HA       ALA  14   1.266  -9.709   9.966
  101   1HB   ALA  14          1HB       ALA  14  -1.122  -9.974   8.322
  102   2HB   ALA  14          2HB       ALA  14   0.574 -10.206   7.901
  103   3HB   ALA  14          3HB       ALA  14  -0.128  -8.588   7.873
  104    H    GLU  15           H        GLU  15   2.158  -7.672   9.819
  105    HA   GLU  15           HA       GLU  15   1.181  -5.664  11.476
  106   1HB   GLU  15          2HB       GLU  15   3.303  -5.812   9.386
  107   2HB   GLU  15          1HB       GLU  15   2.828  -4.224   9.971
  108   1HG   GLU  15          2HG       GLU  15   3.909  -6.506  11.604
  109   2HG   GLU  15          1HG       GLU  15   4.723  -4.991  11.216
  110    H    LEU  16           H        LEU  16   1.142  -3.279  10.399
  111    HA   LEU  16           HA       LEU  16  -0.632  -3.250   8.086
  112   1HB   LEU  16          2HB       LEU  16  -1.807  -3.331  10.496
  113   2HB   LEU  16          1HB       LEU  16  -1.533  -1.602  10.380
  114    HG   LEU  16           HG       LEU  16  -3.759  -2.123   9.606
  115   1HD1  LEU  16          1HD1      LEU  16  -2.147  -0.457   8.383
  116   2HD1  LEU  16          2HD1      LEU  16  -3.740  -0.823   7.720
  117   3HD1  LEU  16          3HD1      LEU  16  -2.307  -1.609   7.058
  118   1HD2  LEU  16          1HD2      LEU  16  -4.291  -3.697   7.993
  119   2HD2  LEU  16          2HD2      LEU  16  -3.009  -4.500   8.898
  120   3HD2  LEU  16          3HD2      LEU  16  -2.651  -3.740   7.347
  121    H    TYR  17           H        TYR  17   0.752  -2.072   6.862
  122    HA   TYR  17           HA       TYR  17   1.556   0.565   7.910
  123   1HB   TYR  17          2HB       TYR  17   2.907  -1.075   5.754
  124   2HB   TYR  17          1HB       TYR  17   3.445   0.488   6.354
  125    HD1  TYR  17           1HD      TYR  17   3.859  -2.983   6.628
  126    HD2  TYR  17           2HD      TYR  17   3.898   0.582   8.947
  127    HE1  TYR  17           1HE      TYR  17   5.241  -4.106   8.319
  128    HE2  TYR  17           2HE      TYR  17   5.280  -0.530  10.646
  129    HH   TYR  17           HH       TYR  17   7.039  -2.983  10.273
  130    H    GLY  18           H        GLY  18   2.361   1.665   5.466
  131   1HA   GLY  18          2HA       GLY  18   1.598   2.431   3.417
  132   2HA   GLY  18          1HA       GLY  18   0.147   1.479   3.632
  133    HA   PRO  19           HA       PRO  19  -1.317   5.240   5.907
  134   1HB   PRO  19          2HB       PRO  19   0.139   6.506   7.757
  135   2HB   PRO  19          1HB       PRO  19  -0.570   4.920   8.085
  136   1HG   PRO  19          2HG       PRO  19   2.239   5.623   7.344
  137   2HG   PRO  19          1HG       PRO  19   1.655   4.452   8.539
  138   1HD   PRO  19          2HD       PRO  19   2.497   3.801   5.992
  139   2HD   PRO  19          1HD       PRO  19   1.399   2.815   6.976
  140    H    PHE  20           H        PHE  20   0.887   5.341   3.746
  141    HA   PHE  20           HA       PHE  20   1.586   8.164   3.774
  142   1HB   PHE  20          2HB       PHE  20   2.318   6.368   1.512
  143   2HB   PHE  20          1HB       PHE  20   3.241   7.670   2.254
  144    HD1  PHE  20           1HD      PHE  20   2.239   4.143   2.563
  145    HD2  PHE  20           2HD      PHE  20   4.720   7.254   4.076
  146    HE1  PHE  20           1HE      PHE  20   3.537   2.483   3.838
  147    HE2  PHE  20           2HE      PHE  20   6.021   5.598   5.351
  148    HZ   PHE  20           HZ       PHE  20   5.430   3.215   5.230
  149    H    THR  21           H        THR  21   1.333   9.368   1.689
  150    HA   THR  21           HA       THR  21  -1.395   9.361   0.899
  151    HB   THR  21           HB       THR  21  -0.804  11.187  -0.564
  152    HG1  THR  21           1HG      THR  21   1.105  11.376  -1.403
  153   1HG2  THR  21          1HG2      THR  21  -0.130  11.190   2.173
  154   2HG2  THR  21          2HG2      THR  21  -0.570  12.557   1.148
  155   3HG2  THR  21          3HG2      THR  21   1.122  12.089   1.316
  156    H    SER  22           H        SER  22  -2.337   8.824  -1.081
  157    HA   SER  22           HA       SER  22  -1.645   6.479  -2.300
  158   1HB   SER  22          2HB       SER  22  -2.806   8.426  -4.181
  159   2HB   SER  22          1HB       SER  22  -3.428   6.865  -3.646
  160    HG   SER  22           HG       SER  22  -3.745   9.403  -2.492
  161    H    ALA  23           H        ALA  23  -0.401   9.667  -2.910
  162    HA   ALA  23           HA       ALA  23   0.875   9.218  -5.372
  163   1HB   ALA  23          1HB       ALA  23   1.943  11.261  -5.020
  164   2HB   ALA  23          2HB       ALA  23   1.964  11.056  -3.268
  165   3HB   ALA  23          3HB       ALA  23   0.449  11.418  -4.096
  166    H    GLN  24           H        GLN  24   2.099   9.045  -2.037
  167    HA   GLN  24           HA       GLN  24   4.685   8.144  -2.741
  168   1HB   GLN  24          2HB       GLN  24   3.815   9.178  -0.516
  169   2HB   GLN  24          1HB       GLN  24   3.399   7.521  -0.103
  170   1HG   GLN  24          2HG       GLN  24   5.582   8.227   0.785
  171   2HG   GLN  24          1HG       GLN  24   5.690   6.838  -0.294
  172   1HE2  GLN  24          1HE2      GLN  24   7.744   7.086  -0.984
  173   2HE2  GLN  24          2HE2      GLN  24   8.309   8.442  -1.891
  174    H    MET  25           H        MET  25   1.692   6.522  -1.956
  175    HA   MET  25           HA       MET  25   2.765   3.901  -1.770
  176   1HB   MET  25          2HB       MET  25   0.029   5.061  -2.057
  177   2HB   MET  25          1HB       MET  25   0.248   3.348  -2.386
  178   1HG   MET  25          2HG       MET  25   0.932   4.765   0.179
  179   2HG   MET  25          1HG       MET  25  -0.456   3.714  -0.097
  180   1HE   MET  25          1HE       MET  25   0.061   1.343  -1.346
  181   2HE   MET  25          2HE       MET  25   1.406   0.309  -0.866
  182   3HE   MET  25          3HE       MET  25   1.648   1.561  -2.084
  183    H    GLN  26           H        GLN  26   1.033   5.595  -4.383
  184    HA   GLN  26           HA       GLN  26   1.116   3.585  -6.295
  185   1HB   GLN  26          2HB       GLN  26  -0.188   5.616  -6.612
  186   2HB   GLN  26          1HB       GLN  26   1.280   6.579  -6.683
  187   1HG   GLN  26          2HG       GLN  26   0.162   6.067  -8.884
  188   2HG   GLN  26          1HG       GLN  26   1.884   5.705  -8.777
  189   1HE2  GLN  26          1HE2      GLN  26   1.807   4.203 -10.430
  190   2HE2  GLN  26          2HE2      GLN  26   1.066   2.654 -10.245
  191    H    THR  27           H        THR  27   3.592   5.825  -5.264
  192    HA   THR  27           HA       THR  27   5.402   5.440  -7.389
  193    HB   THR  27           HB       THR  27   6.020   6.123  -4.508
  194    HG1  THR  27           1HG      THR  27   5.864   8.275  -5.245
  195   1HG2  THR  27          1HG2      THR  27   8.018   5.566  -5.804
  196   2HG2  THR  27          2HG2      THR  27   7.963   7.273  -5.365
  197   3HG2  THR  27          3HG2      THR  27   7.563   6.771  -7.008
  198    H    TRP  28           H        TRP  28   5.251   3.956  -4.154
  199    HA   TRP  28           HA       TRP  28   7.382   2.158  -4.558
  200   1HB   TRP  28          2HB       TRP  28   5.090   2.279  -2.622
  201   2HB   TRP  28          1HB       TRP  28   6.178   0.898  -2.636
  202    HD1  TRP  28           HD       TRP  28   8.958   2.274  -2.953
  203    HE1  TRP  28           1HE      TRP  28   9.910   3.770  -1.084
  204    HE3  TRP  28           3HE      TRP  28   4.601   3.438  -0.545
  205    HZ2  TRP  28           2HZ      TRP  28   8.940   5.247   1.117
  206    HZ3  TRP  28           3HZ      TRP  28   4.700   4.899   1.434
  207    HH2  TRP  28           HH       TRP  28   6.825   5.782   2.247
  208    H    VAL  29           H        VAL  29   3.884   1.834  -4.982
  209    HA   VAL  29           HA       VAL  29   3.862  -0.913  -5.607
  210    HB   VAL  29           HB       VAL  29   1.920   1.256  -6.420
  211   1HG1  VAL  29          1HG1      VAL  29   0.384  -0.888  -6.437
  212   2HG1  VAL  29          2HG1      VAL  29   1.907  -1.690  -6.818
  213   3HG1  VAL  29          3HG1      VAL  29   1.301  -0.404  -7.863
  214   1HG2  VAL  29          1HG2      VAL  29   1.784  -0.733  -4.157
  215   2HG2  VAL  29          2HG2      VAL  29   0.588   0.506  -4.541
  216   3HG2  VAL  29          3HG2      VAL  29   2.197   0.973  -3.990
  217    H    SER  30           H        SER  30   4.457   1.944  -7.540
  218    HA   SER  30           HA       SER  30   4.494   0.356  -9.995
  219   1HB   SER  30          2HB       SER  30   4.438   2.392 -11.195
  220   2HB   SER  30          1HB       SER  30   3.362   2.647  -9.821
  221    HG   SER  30           HG       SER  30   5.282   3.594  -8.775
  222    H    GLU  31           H        GLU  31   6.630   2.062  -7.814
  223    HA   GLU  31           HA       GLU  31   8.907   2.318  -9.375
  224   1HB   GLU  31          2HB       GLU  31   8.397   2.021  -6.458
  225   2HB   GLU  31          1HB       GLU  31  10.052   1.821  -7.019
  226   1HG   GLU  31          2HG       GLU  31   8.424   4.215  -7.784
  227   2HG   GLU  31          1HG       GLU  31   9.300   4.141  -6.255
  228    H    GLY  32           H        GLY  32   7.600  -0.519  -7.783
  229   1HA   GLY  32          2HA       GLY  32   8.416  -2.522  -9.263
  230   2HA   GLY  32          1HA       GLY  32   9.955  -2.089  -8.536
  231    H    TYR  33           H        TYR  33   8.548  -1.310  -6.006
  232    HA   TYR  33           HA       TYR  33   8.907  -3.667  -4.575
  233   1HB   TYR  33          2HB       TYR  33   7.200  -1.273  -3.865
  234   2HB   TYR  33          1HB       TYR  33   7.700  -2.524  -2.734
  235    HD1  TYR  33           1HD      TYR  33   8.841   0.315  -4.772
  236    HD2  TYR  33           2HD      TYR  33   9.941  -2.583  -1.858
  237    HE1  TYR  33           1HE      TYR  33  10.909   1.566  -4.317
  238    HE2  TYR  33           2HE      TYR  33  12.012  -1.340  -1.395
  239    HH   TYR  33           HH       TYR  33  12.875   0.952  -1.623
  240    H    PHE  34           H        PHE  34   7.229  -4.832  -3.290
  241    HA   PHE  34           HA       PHE  34   5.422  -6.211  -3.203
  242   1HB   PHE  34          2HB       PHE  34   3.809  -4.350  -4.900
  243   2HB   PHE  34          1HB       PHE  34   3.334  -5.245  -3.461
  244    HD1  PHE  34           1HD      PHE  34   3.114  -2.187  -4.333
  245    HD2  PHE  34           2HD      PHE  34   5.570  -4.387  -1.647
  246    HE1  PHE  34           1HE      PHE  34   3.446  -0.158  -2.979
  247    HE2  PHE  34           2HE      PHE  34   5.904  -2.364  -0.286
  248    HZ   PHE  34           HZ       PHE  34   4.840  -0.244  -0.955
  249    HA   PRO  35           HA       PRO  35   6.658  -7.485  -7.616
  250   1HB   PRO  35          2HB       PRO  35   7.084  -9.954  -6.000
  251   2HB   PRO  35          1HB       PRO  35   8.049  -9.298  -7.328
  252   1HG   PRO  35          2HG       PRO  35   8.871  -9.058  -4.807
  253   2HG   PRO  35          1HG       PRO  35   9.100  -7.739  -5.970
  254   1HD   PRO  35          2HD       PRO  35   7.132  -7.986  -3.745
  255   2HD   PRO  35          1HD       PRO  35   7.947  -6.543  -4.379
  256    H    ASP  36           H        ASP  36   4.715  -8.945  -5.060
  257    HA   ASP  36           HA       ASP  36   2.963 -10.095  -7.123
  258   1HB   ASP  36          2HB       ASP  36   4.023 -11.782  -5.692
  259   2HB   ASP  36          1HB       ASP  36   3.375 -10.980  -4.264
  260    H    GLY  37           H        GLY  37   3.086  -7.390  -5.513
  261   1HA   GLY  37          2HA       GLY  37   1.391  -5.860  -5.109
  262   2HA   GLY  37          1HA       GLY  37   0.215  -7.146  -5.330
  263    H    VAL  38           H        VAL  38   0.059  -5.212  -3.296
  264    HA   VAL  38           HA       VAL  38   0.403  -6.926  -0.934
  265    HB   VAL  38           HB       VAL  38   0.651  -4.728   0.365
  266   1HG1  VAL  38          1HG1      VAL  38   3.146  -4.598  -0.396
  267   2HG1  VAL  38          2HG1      VAL  38   2.720  -6.012  -1.360
  268   3HG1  VAL  38          3HG1      VAL  38   2.535  -6.052   0.394
  269   1HG2  VAL  38          1HG2      VAL  38   0.063  -3.130  -1.294
  270   2HG2  VAL  38          2HG2      VAL  38   1.238  -3.786  -2.434
  271   3HG2  VAL  38          3HG2      VAL  38   1.790  -2.938  -0.989
  272    H    TYR  39           H        TYR  39  -1.061  -6.372   0.860
  273    HA   TYR  39           HA       TYR  39  -3.739  -6.113  -0.072
  274   1HB   TYR  39          2HB       TYR  39  -2.416  -6.967   2.308
  275   2HB   TYR  39          1HB       TYR  39  -3.614  -5.760   2.756
  276    HD1  TYR  39           1HD      TYR  39  -5.387  -6.913   3.703
  277    HD2  TYR  39           2HD      TYR  39  -3.676  -8.369   0.091
  278    HE1  TYR  39           1HE      TYR  39  -7.155  -8.617   3.560
  279    HE2  TYR  39           2HE      TYR  39  -5.440 -10.076  -0.064
  280    HH   TYR  39           HH       TYR  39  -7.101 -11.206   2.097
  281    H    CYS  40           H        CYS  40  -3.608  -4.034  -1.107
  282    HA   CYS  40           HA       CYS  40  -3.163  -1.702   0.523
  283   1HB   CYS  40          2HB       CYS  40  -3.645  -2.230  -2.351
  284   2HB   CYS  40          1HB       CYS  40  -4.131  -0.653  -1.744
  285    HG   CYS  40           HG       CYS  40  -1.265  -1.326  -1.014
  286    H    ARG  41           H        ARG  41  -4.647  -0.167   1.136
  287    HA   ARG  41           HA       ARG  41  -7.392  -0.237   0.453
  288   1HB   ARG  41          2HB       ARG  41  -7.774  -2.055   1.835
  289   2HB   ARG  41          1HB       ARG  41  -6.498  -1.607   2.956
  290   1HG   ARG  41          2HG       ARG  41  -7.854  -0.307   4.193
  291   2HG   ARG  41          1HG       ARG  41  -8.778   0.248   2.796
  292   1HD   ARG  41          2HD       ARG  41  -9.022  -2.590   3.699
  293   2HD   ARG  41          1HD       ARG  41  -9.881  -1.323   4.574
  294    HE   ARG  41           HE       ARG  41 -10.602  -2.429   2.073
  295   1HH1  ARG  41          1HH1      ARG  41 -10.525   0.602   3.801
  296   2HH1  ARG  41          2HH1      ARG  41 -11.841   1.287   2.909
  297   1HH2  ARG  41          1HH2      ARG  41 -12.333  -1.529   0.898
  298   2HH2  ARG  41          2HH2      ARG  41 -12.868   0.078   1.261
  299    H    LYS  42           H        LYS  42  -8.300   1.716   0.907
  300    HA   LYS  42           HA       LYS  42  -6.687   3.854   1.723
  301   1HB   LYS  42          2HB       LYS  42  -9.553   3.446   1.102
  302   2HB   LYS  42          1HB       LYS  42  -9.167   4.854   2.078
  303   1HG   LYS  42          2HG       LYS  42  -7.466   5.451   0.300
  304   2HG   LYS  42          1HG       LYS  42  -8.222   4.203  -0.692
  305   1HD   LYS  42          2HD       LYS  42 -10.076   6.122   0.547
  306   2HD   LYS  42          1HD       LYS  42  -8.987   6.800  -0.665
  307   1HE   LYS  42          2HE       LYS  42  -9.775   5.328  -2.336
  308   2HE   LYS  42          1HE       LYS  42 -10.602   4.312  -1.156
  309   1HZ   LYS  42          1HZ       LYS  42 -12.300   5.552  -2.088
  310   2HZ   LYS  42          2HZ       LYS  42 -11.380   6.970  -2.169
  311   3HZ   LYS  42          3HZ       LYS  42 -11.956   6.421  -0.676
  312    H    LEU  43           H        LEU  43  -6.344   4.848   3.632
  313    HA   LEU  43           HA       LEU  43  -6.728   3.459   6.031
  314   1HB   LEU  43          2HB       LEU  43  -6.354   6.430   5.960
  315   2HB   LEU  43          1HB       LEU  43  -5.737   5.273   7.120
  316    HG   LEU  43           HG       LEU  43  -4.767   5.582   4.276
  317   1HD1  LEU  43          1HD1      LEU  43  -3.517   6.368   6.896
  318   2HD1  LEU  43          2HD1      LEU  43  -4.150   7.466   5.670
  319   3HD1  LEU  43          3HD1      LEU  43  -2.743   6.465   5.315
  320   1HD2  LEU  43          1HD2      LEU  43  -3.748   3.858   6.530
  321   2HD2  LEU  43          2HD2      LEU  43  -2.977   4.062   4.958
  322   3HD2  LEU  43          3HD2      LEU  43  -4.557   3.287   5.070
  323    H    ASP  44           H        ASP  44  -8.158   6.622   5.216
  324    HA   ASP  44           HA       ASP  44 -10.563   5.820   6.717
  325   1HB   ASP  44          2HB       ASP  44  -9.013   7.659   7.685
  326   2HB   ASP  44          1HB       ASP  44  -9.671   8.676   6.409
  327    HA   PRO  45           HA       PRO  45 -12.587   6.415   7.009
  328   1HB   PRO  45          2HB       PRO  45 -14.939   5.421   6.185
  329   2HB   PRO  45          1HB       PRO  45 -14.645   7.163   6.264
  330   1HG   PRO  45          2HG       PRO  45 -14.576   5.336   3.895
  331   2HG   PRO  45          1HG       PRO  45 -15.271   6.960   4.034
  332   1HD   PRO  45          2HD       PRO  45 -12.821   6.441   2.925
  333   2HD   PRO  45          1HD       PRO  45 -13.251   7.984   3.688
  334    HA   PRO  46           HA       PRO  46 -11.468   2.118   6.888
  335   1HB   PRO  46          2HB       PRO  46 -12.318   1.350   9.321
  336   2HB   PRO  46          1HB       PRO  46 -10.936   2.433   9.115
  337   1HG   PRO  46          2HG       PRO  46 -13.769   3.092   9.820
  338   2HG   PRO  46          1HG       PRO  46 -12.267   3.736  10.506
  339   1HD   PRO  46          2HD       PRO  46 -13.749   5.045   8.619
  340   2HD   PRO  46          1HD       PRO  46 -11.998   5.253   8.808
  341    H    GLY  47           H        GLY  47 -12.366   0.035   6.669
  342   1HA   GLY  47          2HA       GLY  47 -15.128  -0.495   7.122
  343   2HA   GLY  47          1HA       GLY  47 -14.796  -0.205   5.421
  344    H    GLY  48           H        GLY  48 -13.621  -1.708   4.239
  345   1HA   GLY  48          2HA       GLY  48 -12.184  -3.871   5.231
  346   2HA   GLY  48          1HA       GLY  48 -13.853  -4.401   5.094
  347    H    GLN  49           H        GLN  49 -13.171  -5.938   3.519
  348    HA   GLN  49           HA       GLN  49 -12.705  -6.713   1.427
  349   1HB   GLN  49          2HB       GLN  49 -14.796  -4.891   1.317
  350   2HB   GLN  49          1HB       GLN  49 -13.756  -4.431  -0.023
  351   1HG   GLN  49          2HG       GLN  49 -15.196  -5.945  -0.995
  352   2HG   GLN  49          1HG       GLN  49 -13.790  -6.940  -0.614
  353   1HE2  GLN  49          1HE2      GLN  49 -17.063  -6.819  -0.497
  354   2HE2  GLN  49          2HE2      GLN  49 -17.355  -7.961   0.764
  355    H    PHE  50           H        PHE  50 -10.440  -6.140   2.063
  356    HA   PHE  50           HA       PHE  50  -9.034  -3.922   1.224
  357   1HB   PHE  50          2HB       PHE  50  -8.357  -6.727   1.838
  358   2HB   PHE  50          1HB       PHE  50  -7.188  -5.881   0.832
  359    HD1  PHE  50           1HD      PHE  50  -5.574  -4.565   1.822
  360    HD2  PHE  50           2HD      PHE  50  -9.106  -5.505   4.000
  361    HE1  PHE  50           1HE      PHE  50  -4.616  -3.503   3.824
  362    HE2  PHE  50           2HE      PHE  50  -8.156  -4.442   6.006
  363    HZ   PHE  50           HZ       PHE  50  -5.909  -3.439   5.919
  364    H    TYR  51           H        TYR  51  -7.169  -4.229  -0.541
  365    HA   TYR  51           HA       TYR  51  -8.078  -5.480  -2.975
  366   1HB   TYR  51          2HB       TYR  51  -8.589  -2.659  -2.455
  367   2HB   TYR  51          1HB       TYR  51  -7.625  -2.899  -3.909
  368    HD1  TYR  51           1HD      TYR  51 -10.904  -2.925  -2.529
  369    HD2  TYR  51           2HD      TYR  51  -8.524  -4.584  -5.640
  370    HE1  TYR  51           1HE      TYR  51 -12.944  -3.489  -3.781
  371    HE2  TYR  51           2HE      TYR  51 -10.557  -5.153  -6.901
  372    HH   TYR  51           HH       TYR  51 -13.281  -5.571  -5.909
  373    H    ASN  52           H        ASN  52  -6.387  -6.065  -4.197
  374    HA   ASN  52           HA       ASN  52  -3.753  -5.717  -3.277
  375   1HB   ASN  52          2HB       ASN  52  -4.868  -7.500  -4.903
  376   2HB   ASN  52          1HB       ASN  52  -4.245  -6.409  -6.136
  377   1HD2  ASN  52          1HD2      ASN  52  -3.430  -9.093  -5.685
  378   2HD2  ASN  52          2HD2      ASN  52  -1.757  -9.062  -5.258
  379    H    SER  53           H        SER  53  -2.190  -4.277  -3.751
  380    HA   SER  53           HA       SER  53  -2.791  -1.753  -4.736
  381   1HB   SER  53          2HB       SER  53  -0.566  -1.233  -4.382
  382   2HB   SER  53          1HB       SER  53  -0.712  -2.685  -3.392
  383    HG   SER  53           HG       SER  53   0.926  -3.301  -4.572
  384    H    LYS  54           H        LYS  54  -1.923  -4.642  -6.443
  385    HA   LYS  54           HA       LYS  54  -1.270  -3.253  -8.894
  386   1HB   LYS  54          2HB       LYS  54  -1.483  -6.153  -8.126
  387   2HB   LYS  54          1HB       LYS  54  -1.285  -5.661  -9.803
  388   1HG   LYS  54          2HG       LYS  54   0.664  -4.273  -8.322
  389   2HG   LYS  54          1HG       LYS  54   0.687  -5.944  -7.759
  390   1HD   LYS  54          2HD       LYS  54   0.510  -5.623 -10.675
  391   2HD   LYS  54          1HD       LYS  54   2.008  -5.032  -9.953
  392   1HE   LYS  54          2HE       LYS  54   2.705  -7.153 -10.068
  393   2HE   LYS  54          1HE       LYS  54   1.645  -7.438  -8.689
  394   1HZ   LYS  54          1HZ       LYS  54   1.032  -9.046 -10.229
  395   2HZ   LYS  54          2HZ       LYS  54   1.135  -7.989 -11.545
  396   3HZ   LYS  54          3HZ       LYS  54  -0.142  -7.846 -10.443
  397    H    ARG  55           H        ARG  55  -4.110  -3.636  -7.402
  398    HA   ARG  55           HA       ARG  55  -5.563  -3.895  -9.943
  399   1HB   ARG  55          2HB       ARG  55  -5.768  -5.569  -7.638
  400   2HB   ARG  55          1HB       ARG  55  -7.280  -4.690  -7.822
  401   1HG   ARG  55          2HG       ARG  55  -6.059  -6.044 -10.184
  402   2HG   ARG  55          1HG       ARG  55  -6.952  -6.987  -8.989
  403   1HD   ARG  55          2HD       ARG  55  -8.778  -5.166  -9.303
  404   2HD   ARG  55          1HD       ARG  55  -7.927  -4.819 -10.807
  405    HE   ARG  55           HE       ARG  55  -8.318  -7.528 -10.829
  406   1HH1  ARG  55          1HH1      ARG  55 -10.385  -4.728 -10.569
  407   2HH1  ARG  55          2HH1      ARG  55 -11.736  -5.500 -11.331
  408   1HH2  ARG  55          1HH2      ARG  55 -10.092  -8.545 -11.831
  409   2HH2  ARG  55          2HH2      ARG  55 -11.570  -7.667 -12.047
  410    H    ILE  56           H        ILE  56  -4.697  -1.754  -7.697
  411    HA   ILE  56           HA       ILE  56  -7.313  -0.433  -7.527
  412    HB   ILE  56           HB       ILE  56  -4.755   0.123  -6.022
  413   1HG1  ILE  56          2HG1      ILE  56  -7.379  -1.149  -5.227
  414   2HG1  ILE  56          1HG1      ILE  56  -5.789  -1.904  -5.242
  415   1HG2  ILE  56          1HG2      ILE  56  -7.461   1.441  -5.810
  416   2HG2  ILE  56          2HG2      ILE  56  -5.967   2.189  -6.374
  417   3HG2  ILE  56          3HG2      ILE  56  -6.121   1.689  -4.689
  418   1HD1  ILE  56          1HD1      ILE  56  -7.087  -0.538  -3.131
  419   2HD1  ILE  56          2HD1      ILE  56  -5.644   0.375  -3.572
  420   3HD1  ILE  56          3HD1      ILE  56  -5.510  -1.327  -3.131
  421    H    ASP  57           H        ASP  57  -7.510   1.800  -8.044
  422    HA   ASP  57           HA       ASP  57  -5.559   2.691 -10.063
  423   1HB   ASP  57          2HB       ASP  57  -8.048   2.259 -10.664
  424   2HB   ASP  57          1HB       ASP  57  -8.353   3.775  -9.822
  425    H    PHE  58           H        PHE  58  -4.143   3.785  -8.731
  426    HA   PHE  58           HA       PHE  58  -4.970   5.634  -6.737
  427   1HB   PHE  58          2HB       PHE  58  -2.301   5.341  -8.131
  428   2HB   PHE  58          1HB       PHE  58  -2.591   6.307  -6.690
  429    HD1  PHE  58           1HD      PHE  58  -2.611   2.851  -8.011
  430    HD2  PHE  58           2HD      PHE  58  -2.575   5.332  -4.554
  431    HE1  PHE  58           1HE      PHE  58  -2.155   0.884  -6.610
  432    HE2  PHE  58           2HE      PHE  58  -2.118   3.368  -3.145
  433    HZ   PHE  58           HZ       PHE  58  -1.901   1.139  -4.174
  434    H    ASP  59           H        ASP  59  -4.884   5.834 -10.115
  435    HA   ASP  59           HA       ASP  59  -4.383   8.681 -10.244
  436   1HB   ASP  59          2HB       ASP  59  -5.327   6.803 -12.419
  437   2HB   ASP  59          1HB       ASP  59  -4.705   8.436 -12.643
  438    H    LEU  60           H        LEU  60  -7.076   6.686  -9.672
  439    HA   LEU  60           HA       LEU  60  -8.970   8.656 -10.661
  440   1HB   LEU  60          2HB       LEU  60  -9.355   5.895  -9.519
  441   2HB   LEU  60          1HB       LEU  60 -10.679   6.951  -9.973
  442    HG   LEU  60           HG       LEU  60  -8.558   6.051 -11.917
  443   1HD1  LEU  60          1HD1      LEU  60  -9.877   4.264 -12.584
  444   2HD1  LEU  60          2HD1      LEU  60 -11.314   4.894 -11.779
  445   3HD1  LEU  60          3HD1      LEU  60  -9.999   4.210 -10.826
  446   1HD2  LEU  60          1HD2      LEU  60 -11.072   7.628 -12.075
  447   2HD2  LEU  60          2HD2      LEU  60 -10.652   6.580 -13.430
  448   3HD2  LEU  60          3HD2      LEU  60  -9.541   7.851 -12.921
  449    H    TYR  61           H        TYR  61  -7.239   9.176  -8.354
  450    HA   TYR  61           HA       TYR  61  -9.352   9.885  -6.463
  451   1HB   TYR  61          2HB       TYR  61  -6.779   8.477  -5.733
  452   2HB   TYR  61          1HB       TYR  61  -7.839   9.255  -4.565
  453    HD1  TYR  61           1HD      TYR  61 -10.192   8.381  -4.292
  454    HD2  TYR  61           2HD      TYR  61  -7.223   6.297  -6.514
  455    HE1  TYR  61           1HE      TYR  61 -11.521   6.319  -4.122
  456    HE2  TYR  61           2HE      TYR  61  -8.545   4.229  -6.353
  457    HH   TYR  61           HH       TYR  61 -11.441   3.927  -5.892
  458    H    THR  62           H        THR  62  -5.909  10.220  -7.280
  459    HA   THR  62           HA       THR  62  -5.455  12.601  -5.864
  460    HB   THR  62           HB       THR  62  -3.466  12.852  -7.273
  461    HG1  THR  62           1HG      THR  62  -4.604  10.753  -8.802
  462   1HG2  THR  62          1HG2      THR  62  -4.125  10.194  -6.149
  463   2HG2  THR  62          2HG2      THR  62  -2.849  11.331  -5.711
  464   3HG2  THR  62          3HG2      THR  62  -2.686  10.334  -7.158
  465   1H    SER  63          1HT       SER  63  17.816   3.992  -7.497
  466   2H    SER  63          2HT       SER  63  18.214   3.498  -5.903
  467   3H    SER  63          3HT       SER  63  19.161   2.963  -7.230
  468    HA   SER  63           HA       SER  63  20.451   4.587  -6.406
  469   1HB   SER  63          2HB       SER  63  19.880   4.947  -8.799
  470   2HB   SER  63          1HB       SER  63  18.582   6.034  -8.304
  471    HG   SER  63           HG       SER  63  21.258   6.499  -8.499
  472    H    HIS  64           H        HIS  64  17.116   5.840  -6.453
  473    HA   HIS  64           HA       HIS  64  17.728   7.286  -3.962
  474   1HB   HIS  64          2HB       HIS  64  16.327   9.133  -4.681
  475   2HB   HIS  64          1HB       HIS  64  17.577   8.845  -5.885
  476    HD1  HIS  64           1HD      HIS  64  14.081   9.473  -5.634
  477    HD2  HIS  64           2HD      HIS  64  16.456   7.113  -8.095
  478    HE1  HIS  64           1HE      HIS  64  12.679   9.001  -7.669
  479    HE2  HIS  64           2HE      HIS  64  14.106   7.499  -9.104
  480    H    ARG  65           H        ARG  65  15.246   8.224  -3.337
  481    HA   ARG  65           HA       ARG  65  13.284   7.657  -2.345
  482   1HB   ARG  65          2HB       ARG  65  12.542   7.059  -4.577
  483   2HB   ARG  65          1HB       ARG  65  13.296   5.479  -4.438
  484   1HG   ARG  65          2HG       ARG  65  11.218   4.829  -3.904
  485   2HG   ARG  65          1HG       ARG  65  11.665   5.408  -2.300
  486   1HD   ARG  65          2HD       ARG  65  10.010   6.778  -4.396
  487   2HD   ARG  65          1HD       ARG  65   9.570   6.372  -2.740
  488    HE   ARG  65           HE       ARG  65  10.812   8.208  -1.974
  489   1HH1  ARG  65          1HH1      ARG  65  10.890   7.958  -5.461
  490   2HH1  ARG  65          2HH1      ARG  65  11.434   9.585  -5.685
  491   1HH2  ARG  65          1HH2      ARG  65  11.528  10.342  -2.277
  492   2HH2  ARG  65          2HH2      ARG  65  11.799  10.936  -3.880
  493    HA   PRO  66           HA       PRO  66  14.586   4.557   0.558
  494   1HB   PRO  66          2HB       PRO  66  12.754   4.995   2.443
  495   2HB   PRO  66          1HB       PRO  66  13.988   6.204   2.070
  496   1HG   PRO  66          2HG       PRO  66  11.108   6.130   1.295
  497   2HG   PRO  66          1HG       PRO  66  12.117   7.518   1.736
  498   1HD   PRO  66          2HD       PRO  66  11.476   6.718  -0.869
  499   2HD   PRO  66          1HD       PRO  66  12.779   7.833  -0.417
  500    HA   PRO  67           HA       PRO  67  11.842   1.090   0.170
  501   1HB   PRO  67          2HB       PRO  67  12.596  -0.421   2.235
  502   2HB   PRO  67          1HB       PRO  67  13.733  -0.013   0.944
  503   1HG   PRO  67          2HG       PRO  67  13.534   1.074   3.703
  504   2HG   PRO  67          1HG       PRO  67  14.965   0.829   2.691
  505   1HD   PRO  67          2HD       PRO  67  13.553   3.252   3.087
  506   2HD   PRO  67          1HD       PRO  67  14.838   2.954   1.904
  507    HA   PRO  68           HA       PRO  68   8.222   1.675   2.687
  508   1HB   PRO  68          2HB       PRO  68   6.875  -0.589   2.111
  509   2HB   PRO  68          1HB       PRO  68   7.082   0.707   0.927
  510   1HG   PRO  68          2HG       PRO  68   8.598  -1.859   1.210
  511   2HG   PRO  68          1HG       PRO  68   7.982  -1.081  -0.259
  512   1HD   PRO  68          2HD       PRO  68  10.578  -0.904   0.541
  513   2HD   PRO  68          1HD       PRO  68   9.760   0.369  -0.388
  514    HA   PRO  69           HA       PRO  69   8.805  -0.307   6.595
  515   1HB   PRO  69          2HB       PRO  69   6.166  -0.703   7.331
  516   2HB   PRO  69          1HB       PRO  69   7.072   0.788   7.576
  517   1HG   PRO  69          2HG       PRO  69   5.113   0.086   5.445
  518   2HG   PRO  69          1HG       PRO  69   5.385   1.635   6.258
  519   1HD   PRO  69          2HD       PRO  69   6.267   1.146   3.757
  520   2HD   PRO  69          1HD       PRO  69   7.168   2.180   4.886
  521    H    GLY  70           H        GLY  70   7.680  -2.191   7.912
  522   1HA   GLY  70          2HA       GLY  70   7.195  -4.429   8.073
  523   2HA   GLY  70          1HA       GLY  70   6.626  -4.370   6.414
  524    H    HIS  71           H        HIS  71   8.513  -4.080   4.789
  525    HA   HIS  71           HA       HIS  71  10.127  -5.277   3.703
  526   1HB   HIS  71          2HB       HIS  71  12.311  -4.861   4.542
  527   2HB   HIS  71          1HB       HIS  71  11.324  -3.502   5.038
  528    HD1  HIS  71           1HD      HIS  71  12.744  -2.865   6.961
  529    HD2  HIS  71           2HD      HIS  71  11.490  -6.802   7.211
  530    HE1  HIS  71           1HE      HIS  71  13.358  -3.612   9.283
  531    HE2  HIS  71           2HE      HIS  71  12.504  -5.977   9.437
  532    H    ARG  72           H        ARG  72  12.236  -6.848   4.593
  533    HA   ARG  72           HA       ARG  72  11.677  -8.831   6.424
  534   1HB   ARG  72          2HB       ARG  72  11.050 -10.686   4.728
  535   2HB   ARG  72          1HB       ARG  72   9.784  -9.617   5.312
  536   1HG   ARG  72          2HG       ARG  72   9.629  -8.485   3.297
  537   2HG   ARG  72          1HG       ARG  72  11.235  -8.997   2.774
  538   1HD   ARG  72          2HD       ARG  72   9.645 -11.318   3.214
  539   2HD   ARG  72          1HD       ARG  72   8.725 -10.195   2.214
  540    HE   ARG  72           HE       ARG  72  10.953 -11.737   1.404
  541   1HH1  ARG  72          1HH1      ARG  72   9.508  -8.589   0.984
  542   2HH1  ARG  72          2HH1      ARG  72  10.184  -8.351  -0.593
  543   1HH2  ARG  72          1HH2      ARG  72  11.843 -11.426  -0.670
  544   2HH2  ARG  72          2HH2      ARG  72  11.509  -9.961  -1.532
  545    H    VAL  73           H        VAL  73  13.627  -9.615   6.807
  546    HA   VAL  73           HA       VAL  73  15.435 -10.088   4.528
  547    HB   VAL  73           HB       VAL  73  17.328  -9.546   6.078
  548   1HG1  VAL  73          1HG1      VAL  73  16.200  -7.960   4.391
  549   2HG1  VAL  73          2HG1      VAL  73  17.281  -7.269   5.601
  550   3HG1  VAL  73          3HG1      VAL  73  15.535  -7.161   5.816
  551   1HG2  VAL  73          1HG2      VAL  73  16.043  -9.843   8.177
  552   2HG2  VAL  73          2HG2      VAL  73  15.163  -8.360   7.811
  553   3HG2  VAL  73          3HG2      VAL  73  16.901  -8.304   8.101
  Start of MODEL    7
    1   1H    ASP   1          1HT       ASP   1  -3.243  12.231  -1.888
    2   2H    ASP   1          2HT       ASP   1  -2.794  13.888  -1.904
    3   3H    ASP   1          3HT       ASP   1  -4.428  13.436  -2.174
    4    HA   ASP   1           HA       ASP   1  -2.875  13.494   0.290
    5   1HB   ASP   1          2HB       ASP   1  -5.605  14.370  -0.655
    6   2HB   ASP   1          1HB       ASP   1  -5.164  14.363   1.049
    7    H    VAL   2           H        VAL   2  -5.390  11.695  -1.386
    8    HA   VAL   2           HA       VAL   2  -6.428  10.248   0.767
    9    HB   VAL   2           HB       VAL   2  -6.115   9.241  -2.064
   10   1HG1  VAL   2          1HG1      VAL   2  -8.228   8.007  -1.479
   11   2HG1  VAL   2          2HG1      VAL   2  -7.948   8.474   0.198
   12   3HG1  VAL   2          3HG1      VAL   2  -6.776   7.459  -0.641
   13   1HG2  VAL   2          1HG2      VAL   2  -7.288  11.128  -2.517
   14   2HG2  VAL   2          2HG2      VAL   2  -7.908  11.270  -0.872
   15   3HG2  VAL   2          3HG2      VAL   2  -8.637  10.120  -1.993
   16    H    MET   3           H        MET   3  -5.218   9.145   2.174
   17    HA   MET   3           HA       MET   3  -2.756   7.871   1.431
   18   1HB   MET   3          2HB       MET   3  -4.282   7.502   4.008
   19   2HB   MET   3          1HB       MET   3  -2.560   7.269   3.736
   20   1HG   MET   3          2HG       MET   3  -2.601   9.795   3.108
   21   2HG   MET   3          1HG       MET   3  -4.107   9.800   4.024
   22   1HE   MET   3          1HE       MET   3  -1.558  11.657   5.854
   23   2HE   MET   3          2HE       MET   3  -1.472  11.266   4.137
   24   3HE   MET   3          3HE       MET   3  -0.222  10.687   5.238
   25    H    TRP   4           H        TRP   4  -2.317   5.569   1.722
   26    HA   TRP   4           HA       TRP   4  -4.668   3.834   1.579
   27   1HB   TRP   4          2HB       TRP   4  -2.553   4.063  -0.549
   28   2HB   TRP   4          1HB       TRP   4  -3.541   2.618  -0.366
   29    HD1  TRP   4           HD       TRP   4  -3.880   6.358  -1.207
   30    HE1  TRP   4           1HE      TRP   4  -6.040   6.684  -2.570
   31    HE3  TRP   4           3HE      TRP   4  -5.743   1.614  -0.904
   32    HZ2  TRP   4           2HZ      TRP   4  -8.245   5.129  -3.402
   33    HZ3  TRP   4           3HZ      TRP   4  -7.882   1.113  -2.006
   34    HH2  TRP   4           HH       TRP   4  -9.105   2.833  -3.232
   35    H    GLU   5           H        GLU   5  -4.415   2.305   3.024
   36    HA   GLU   5           HA       GLU   5  -1.910   1.638   4.202
   37   1HB   GLU   5          2HB       GLU   5  -4.584   1.294   4.861
   38   2HB   GLU   5          1HB       GLU   5  -4.025  -0.343   4.556
   39   1HG   GLU   5          2HG       GLU   5  -2.647  -0.361   6.352
   40   2HG   GLU   5          1HG       GLU   5  -2.322   1.367   6.262
   41    H    TYR   6           H        TYR   6  -1.148  -0.683   4.311
   42    HA   TYR   6           HA       TYR   6  -1.768  -2.383   2.086
   43   1HB   TYR   6          2HB       TYR   6   0.141  -2.214   0.796
   44   2HB   TYR   6          1HB       TYR   6  -0.107  -0.539   1.259
   45    HD1  TYR   6           1HD      TYR   6   1.798  -3.593   2.214
   46    HD2  TYR   6           2HD      TYR   6   1.624   0.656   2.272
   47    HE1  TYR   6           1HE      TYR   6   4.087  -3.518   3.103
   48    HE2  TYR   6           2HE      TYR   6   3.915   0.741   3.165
   49    HH   TYR   6           HH       TYR   6   6.005  -1.843   3.114
   50    H    LYS   7           H        LYS   7  -1.450  -4.437   2.618
   51    HA   LYS   7           HA       LYS   7   0.326  -5.037   4.888
   52   1HB   LYS   7          2HB       LYS   7  -2.044  -5.275   5.493
   53   2HB   LYS   7          1HB       LYS   7  -2.285  -6.376   4.148
   54   1HG   LYS   7          2HG       LYS   7  -1.269  -8.114   5.204
   55   2HG   LYS   7          1HG       LYS   7  -0.212  -7.066   6.151
   56   1HD   LYS   7          2HD       LYS   7  -1.626  -7.614   7.829
   57   2HD   LYS   7          1HD       LYS   7  -2.614  -6.331   7.132
   58   1HE   LYS   7          2HE       LYS   7  -3.869  -7.959   5.847
   59   2HE   LYS   7          1HE       LYS   7  -2.840  -9.259   6.445
   60   1HZ   LYS   7          1HZ       LYS   7  -4.729  -9.351   7.776
   61   2HZ   LYS   7          2HZ       LYS   7  -4.840  -7.671   7.929
   62   3HZ   LYS   7          3HZ       LYS   7  -3.617  -8.514   8.739
   63    H    TRP   8           H        TRP   8   1.995  -6.286   4.348
   64    HA   TRP   8           HA       TRP   8   2.431  -7.326   1.805
   65   1HB   TRP   8          2HB       TRP   8   3.659  -8.053   4.468
   66   2HB   TRP   8          1HB       TRP   8   4.231  -8.707   2.938
   67    HD1  TRP   8           HD       TRP   8   4.900  -5.970   5.258
   68    HE1  TRP   8           1HE      TRP   8   6.340  -4.147   4.156
   69    HE3  TRP   8           3HE      TRP   8   4.416  -7.392   0.369
   70    HZ2  TRP   8           2HZ      TRP   8   7.164  -3.408   1.564
   71    HZ3  TRP   8           3HZ      TRP   8   5.566  -6.072  -1.359
   72    HH2  TRP   8           HH       TRP   8   6.912  -4.121  -0.771
   73    H    GLU   9           H        GLU   9   1.511  -9.060   4.771
   74    HA   GLU   9           HA       GLU   9   1.034 -11.501   3.296
   75   1HB   GLU   9          2HB       GLU   9   1.294 -10.720   6.094
   76   2HB   GLU   9          1HB       GLU   9  -0.024 -11.855   5.838
   77   1HG   GLU   9          2HG       GLU   9   2.869 -12.239   5.116
   78   2HG   GLU   9          1HG       GLU   9   1.959 -13.073   6.375
   79    H    ASN  10           H        ASN  10  -1.132 -12.657   4.196
   80    HA   ASN  10           HA       ASN  10  -3.362 -10.792   3.758
   81   1HB   ASN  10          2HB       ASN  10  -3.164 -13.565   2.566
   82   2HB   ASN  10          1HB       ASN  10  -4.475 -12.413   2.330
   83   1HD2  ASN  10          1HD2      ASN  10  -2.937 -10.094   1.989
   84   2HD2  ASN  10          2HD2      ASN  10  -2.094 -10.219   0.487
   85    H    THR  11           H        THR  11  -2.378 -11.715   6.232
   86    HA   THR  11           HA       THR  11  -4.210 -13.803   7.106
   87    HB   THR  11           HB       THR  11  -2.928 -13.985   9.037
   88    HG1  THR  11           1HG      THR  11  -1.953 -12.341  10.017
   89   1HG2  THR  11          1HG2      THR  11  -0.919 -14.500   8.254
   90   2HG2  THR  11          2HG2      THR  11  -0.597 -12.844   7.738
   91   3HG2  THR  11          3HG2      THR  11  -1.517 -13.931   6.695
   92    H    GLY  12           H        GLY  12  -4.723 -13.041   9.700
   93   1HA   GLY  12          2HA       GLY  12  -6.688 -10.917   9.252
   94   2HA   GLY  12          1HA       GLY  12  -6.691 -12.065  10.582
   95    H    ASP  13           H        ASP  13  -3.626 -11.315  10.672
   96    HA   ASP  13           HA       ASP  13  -3.910  -8.715  11.987
   97   1HB   ASP  13          2HB       ASP  13  -3.942 -10.972  13.487
   98   2HB   ASP  13          1HB       ASP  13  -2.212 -10.649  13.432
   99    H    ALA  14           H        ALA  14  -2.437 -10.195   9.597
  100    HA   ALA  14           HA       ALA  14   0.286 -10.118   9.884
  101   1HB   ALA  14          1HB       ALA  14   0.108 -10.648   7.734
  102   2HB   ALA  14          2HB       ALA  14  -0.250  -8.962   7.361
  103   3HB   ALA  14          3HB       ALA  14  -1.563 -10.086   7.708
  104    H    GLU  15           H        GLU  15   1.820  -8.447   8.950
  105    HA   GLU  15           HA       GLU  15   1.846  -6.149  10.455
  106   1HB   GLU  15          2HB       GLU  15   3.348  -5.264   8.483
  107   2HB   GLU  15          1HB       GLU  15   3.899  -6.570   9.522
  108   1HG   GLU  15          2HG       GLU  15   2.390  -7.458   7.180
  109   2HG   GLU  15          1HG       GLU  15   3.889  -6.613   6.801
  110    H    LEU  16           H        LEU  16   1.013  -4.168  10.321
  111    HA   LEU  16           HA       LEU  16  -0.697  -3.571   7.995
  112   1HB   LEU  16          2HB       LEU  16  -1.393  -3.734  10.677
  113   2HB   LEU  16          1HB       LEU  16  -1.260  -2.011  10.385
  114    HG   LEU  16           HG       LEU  16  -3.558  -2.877  10.085
  115   1HD1  LEU  16          1HD1      LEU  16  -3.650  -2.044   7.553
  116   2HD1  LEU  16          2HD1      LEU  16  -2.028  -1.490   7.968
  117   3HD1  LEU  16          3HD1      LEU  16  -3.414  -0.946   8.912
  118   1HD2  LEU  16          1HD2      LEU  16  -2.522  -5.064   9.021
  119   2HD2  LEU  16          2HD2      LEU  16  -2.769  -4.162   7.525
  120   3HD2  LEU  16          3HD2      LEU  16  -4.136  -4.498   8.588
  121    H    TYR  17           H        TYR  17   0.347  -2.209   6.702
  122    HA   TYR  17           HA       TYR  17   1.462   0.236   7.885
  123   1HB   TYR  17          2HB       TYR  17   2.772  -1.389   5.692
  124   2HB   TYR  17          1HB       TYR  17   3.330   0.171   6.279
  125    HD1  TYR  17           1HD      TYR  17   3.957  -3.204   6.447
  126    HD2  TYR  17           2HD      TYR  17   3.560   0.179   8.995
  127    HE1  TYR  17           1HE      TYR  17   5.332  -4.329   8.144
  128    HE2  TYR  17           2HE      TYR  17   4.932  -0.936  10.700
  129    HH   TYR  17           HH       TYR  17   5.422  -3.864  11.045
  130    H    GLY  18           H        GLY  18   2.267   1.439   5.502
  131   1HA   GLY  18          2HA       GLY  18   1.475   2.189   3.424
  132   2HA   GLY  18          1HA       GLY  18  -0.054   1.412   3.761
  133    HA   PRO  19           HA       PRO  19  -1.062   5.273   6.083
  134   1HB   PRO  19          2HB       PRO  19   0.542   6.288   7.984
  135   2HB   PRO  19          1HB       PRO  19  -0.428   4.837   8.270
  136   1HG   PRO  19          2HG       PRO  19   2.477   5.072   7.590
  137   2HG   PRO  19          1HG       PRO  19   1.685   4.012   8.771
  138   1HD   PRO  19          2HD       PRO  19   2.459   3.198   6.275
  139   2HD   PRO  19          1HD       PRO  19   1.126   2.460   7.185
  140    H    PHE  20           H        PHE  20   0.256   5.488   3.703
  141    HA   PHE  20           HA       PHE  20   1.556   8.119   3.895
  142   1HB   PHE  20          2HB       PHE  20   2.249   6.268   1.657
  143   2HB   PHE  20          1HB       PHE  20   3.213   7.540   2.396
  144    HD1  PHE  20           1HD      PHE  20   4.590   7.102   4.308
  145    HD2  PHE  20           2HD      PHE  20   2.085   4.062   2.697
  146    HE1  PHE  20           1HE      PHE  20   5.782   5.413   5.646
  147    HE2  PHE  20           2HE      PHE  20   3.275   2.370   4.035
  148    HZ   PHE  20           HZ       PHE  20   5.120   3.050   5.509
  149    H    THR  21           H        THR  21   1.452   9.319   1.781
  150    HA   THR  21           HA       THR  21  -1.262   9.470   0.932
  151    HB   THR  21           HB       THR  21  -0.466  11.236  -0.586
  152    HG1  THR  21           1HG      THR  21   2.123  10.575   0.360
  153   1HG2  THR  21          1HG2      THR  21  -0.559  12.579   1.162
  154   2HG2  THR  21          2HG2      THR  21   1.138  12.232   1.489
  155   3HG2  THR  21          3HG2      THR  21  -0.123  11.258   2.244
  156    H    SER  22           H        SER  22  -2.158   9.057  -1.110
  157    HA   SER  22           HA       SER  22  -1.562   6.685  -2.342
  158   1HB   SER  22          2HB       SER  22  -3.653   7.787  -2.805
  159   2HB   SER  22          1HB       SER  22  -2.825   9.164  -3.534
  160    HG   SER  22           HG       SER  22  -2.292   7.931  -5.270
  161    H    ALA  23           H        ALA  23  -0.098   9.797  -2.819
  162    HA   ALA  23           HA       ALA  23   1.228   9.333  -5.253
  163   1HB   ALA  23          1HB       ALA  23   2.378  11.033  -3.071
  164   2HB   ALA  23          2HB       ALA  23   0.903  11.519  -3.908
  165   3HB   ALA  23          3HB       ALA  23   2.400  11.295  -4.815
  166    H    GLN  24           H        GLN  24   2.419   9.103  -1.899
  167    HA   GLN  24           HA       GLN  24   4.927   8.017  -2.534
  168   1HB   GLN  24          2HB       GLN  24   4.105   9.021  -0.309
  169   2HB   GLN  24          1HB       GLN  24   3.447   7.423   0.019
  170   1HG   GLN  24          2HG       GLN  24   5.538   7.502   1.085
  171   2HG   GLN  24          1HG       GLN  24   5.764   6.515  -0.357
  172   1HE2  GLN  24          1HE2      GLN  24   7.945   6.876  -0.511
  173   2HE2  GLN  24          2HE2      GLN  24   8.622   8.408  -0.936
  174    H    MET  25           H        MET  25   1.801   6.578  -2.014
  175    HA   MET  25           HA       MET  25   2.683   3.875  -1.892
  176   1HB   MET  25          2HB       MET  25   0.035   5.220  -2.321
  177   2HB   MET  25          1HB       MET  25   0.189   3.489  -2.587
  178   1HG   MET  25          2HG       MET  25   0.793   4.946  -0.025
  179   2HG   MET  25          1HG       MET  25  -0.635   3.970  -0.358
  180   1HE   MET  25          1HE       MET  25   1.559   1.600  -2.130
  181   2HE   MET  25          2HE       MET  25  -0.132   1.635  -1.632
  182   3HE   MET  25          3HE       MET  25   0.969   0.451  -0.928
  183    H    GLN  26           H        GLN  26   1.515   5.992  -4.462
  184    HA   GLN  26           HA       GLN  26   1.344   4.121  -6.526
  185   1HB   GLN  26          2HB       GLN  26   1.167   6.938  -6.251
  186   2HB   GLN  26          1HB       GLN  26   2.309   6.623  -7.550
  187   1HG   GLN  26          2HG       GLN  26  -0.246   5.124  -7.552
  188   2HG   GLN  26          1HG       GLN  26  -0.286   6.834  -7.978
  189   1HE2  GLN  26          1HE2      GLN  26   1.967   4.169  -8.624
  190   2HE2  GLN  26          2HE2      GLN  26   1.993   4.378 -10.339
  191    H    THR  27           H        THR  27   4.081   5.990  -5.322
  192    HA   THR  27           HA       THR  27   5.924   5.294  -7.325
  193    HB   THR  27           HB       THR  27   6.389   6.017  -4.423
  194    HG1  THR  27           1HG      THR  27   6.504   7.593  -6.777
  195   1HG2  THR  27          1HG2      THR  27   8.627   6.692  -5.088
  196   2HG2  THR  27          2HG2      THR  27   8.343   6.064  -6.711
  197   3HG2  THR  27          3HG2      THR  27   8.384   4.963  -5.334
  198    H    TRP  28           H        TRP  28   5.659   3.978  -4.013
  199    HA   TRP  28           HA       TRP  28   7.447   1.877  -4.331
  200   1HB   TRP  28          2HB       TRP  28   5.055   2.228  -2.534
  201   2HB   TRP  28          1HB       TRP  28   6.094   0.812  -2.444
  202    HD1  TRP  28           HD       TRP  28   8.920   2.192  -2.714
  203    HE1  TRP  28           1HE      TRP  28   9.816   3.669  -0.805
  204    HE3  TRP  28           3HE      TRP  28   4.498   3.312  -0.412
  205    HZ2  TRP  28           2HZ      TRP  28   8.784   5.115   1.388
  206    HZ3  TRP  28           3HZ      TRP  28   4.538   4.748   1.585
  207    HH2  TRP  28           HH       TRP  28   6.637   5.630   2.466
  208    H    VAL  29           H        VAL  29   3.931   1.914  -4.825
  209    HA   VAL  29           HA       VAL  29   3.620  -0.797  -5.453
  210    HB   VAL  29           HB       VAL  29   2.003   1.588  -6.361
  211   1HG1  VAL  29          1HG1      VAL  29   1.225   0.063  -7.857
  212   2HG1  VAL  29          2HG1      VAL  29   0.231  -0.388  -6.472
  213   3HG1  VAL  29          3HG1      VAL  29   1.681  -1.317  -6.858
  214   1HG2  VAL  29          1HG2      VAL  29   1.240  -0.401  -4.254
  215   2HG2  VAL  29          2HG2      VAL  29   0.630   1.233  -4.514
  216   3HG2  VAL  29          3HG2      VAL  29   2.253   0.991  -3.872
  217    H    SER  30           H        SER  30   4.723   1.898  -7.375
  218    HA   SER  30           HA       SER  30   4.675   0.264  -9.804
  219   1HB   SER  30          2HB       SER  30   4.993   3.209  -9.292
  220   2HB   SER  30          1HB       SER  30   5.483   2.506 -10.833
  221    HG   SER  30           HG       SER  30   2.904   2.265  -9.670
  222    H    GLU  31           H        GLU  31   6.857   1.582  -7.450
  223    HA   GLU  31           HA       GLU  31   9.248   1.615  -8.873
  224   1HB   GLU  31          2HB       GLU  31   8.634   2.252  -6.370
  225   2HB   GLU  31          1HB       GLU  31   9.270   0.645  -6.054
  226   1HG   GLU  31          2HG       GLU  31  11.135   1.947  -5.781
  227   2HG   GLU  31          1HG       GLU  31  11.291   1.456  -7.467
  228    H    GLY  32           H        GLY  32   7.485  -1.067  -7.465
  229   1HA   GLY  32          2HA       GLY  32   7.812  -3.214  -8.658
  230   2HA   GLY  32          1HA       GLY  32   9.535  -2.891  -8.562
  231    H    TYR  33           H        TYR  33   8.469  -1.794  -5.708
  232    HA   TYR  33           HA       TYR  33   9.582  -3.829  -4.174
  233   1HB   TYR  33          2HB       TYR  33   7.888  -1.458  -3.637
  234   2HB   TYR  33          1HB       TYR  33   7.903  -2.697  -2.387
  235    HD1  TYR  33           1HD      TYR  33  10.051  -0.399  -4.336
  236    HD2  TYR  33           2HD      TYR  33   9.763  -2.951  -0.945
  237    HE1  TYR  33           1HE      TYR  33  12.180   0.494  -3.491
  238    HE2  TYR  33           2HE      TYR  33  11.891  -2.064  -0.088
  239    HH   TYR  33           HH       TYR  33  14.030  -0.308  -1.943
  240    H    PHE  34           H        PHE  34   6.291  -3.362  -5.288
  241    HA   PHE  34           HA       PHE  34   5.492  -5.848  -3.934
  242   1HB   PHE  34          2HB       PHE  34   3.538  -3.979  -5.236
  243   2HB   PHE  34          1HB       PHE  34   3.280  -5.099  -3.905
  244    HD1  PHE  34           1HD      PHE  34   2.534  -2.111  -4.137
  245    HD2  PHE  34           2HD      PHE  34   5.809  -4.164  -2.358
  246    HE1  PHE  34           1HE      PHE  34   2.821  -0.264  -2.537
  247    HE2  PHE  34           2HE      PHE  34   6.102  -2.318  -0.758
  248    HZ   PHE  34           HZ       PHE  34   4.606  -0.364  -0.849
  249    HA   PRO  35           HA       PRO  35   5.992  -6.914  -8.448
  250   1HB   PRO  35          2HB       PRO  35   7.025  -9.396  -7.946
  251   2HB   PRO  35          1HB       PRO  35   8.010  -7.938  -8.107
  252   1HG   PRO  35          2HG       PRO  35   7.056  -9.316  -5.628
  253   2HG   PRO  35          1HG       PRO  35   8.650  -8.622  -5.981
  254   1HD   PRO  35          2HD       PRO  35   6.839  -7.328  -4.466
  255   2HD   PRO  35          1HD       PRO  35   7.944  -6.461  -5.553
  256    H    ASP  36           H        ASP  36   4.473  -8.374  -5.687
  257    HA   ASP  36           HA       ASP  36   2.736  -9.933  -7.476
  258   1HB   ASP  36          2HB       ASP  36   3.987 -11.366  -5.963
  259   2HB   ASP  36          1HB       ASP  36   3.449 -10.419  -4.580
  260    H    GLY  37           H        GLY  37   2.872  -7.268  -5.393
  261   1HA   GLY  37          2HA       GLY  37   1.048  -5.749  -5.227
  262   2HA   GLY  37          1HA       GLY  37  -0.058  -7.102  -5.413
  263    H    VAL  38           H        VAL  38  -0.275  -5.155  -3.388
  264    HA   VAL  38           HA       VAL  38   0.177  -6.852  -1.036
  265    HB   VAL  38           HB       VAL  38   0.493  -4.728   0.292
  266   1HG1  VAL  38          1HG1      VAL  38   2.437  -5.853  -1.660
  267   2HG1  VAL  38          2HG1      VAL  38   2.450  -5.901   0.103
  268   3HG1  VAL  38          3HG1      VAL  38   2.900  -4.420  -0.743
  269   1HG2  VAL  38          1HG2      VAL  38   1.394  -2.794  -1.028
  270   2HG2  VAL  38          2HG2      VAL  38  -0.335  -3.084  -1.229
  271   3HG2  VAL  38          3HG2      VAL  38   0.798  -3.592  -2.482
  272    H    TYR  39           H        TYR  39  -1.248  -6.354   0.787
  273    HA   TYR  39           HA       TYR  39  -3.950  -6.128  -0.071
  274   1HB   TYR  39          2HB       TYR  39  -2.525  -6.950   2.282
  275   2HB   TYR  39          1HB       TYR  39  -3.813  -5.847   2.742
  276    HD1  TYR  39           1HD      TYR  39  -5.455  -7.193   3.701
  277    HD2  TYR  39           2HD      TYR  39  -3.705  -8.375   0.008
  278    HE1  TYR  39           1HE      TYR  39  -7.080  -9.031   3.527
  279    HE2  TYR  39           2HE      TYR  39  -5.327 -10.216  -0.178
  280    HH   TYR  39           HH       TYR  39  -6.773 -11.543   1.214
  281    H    CYS  40           H        CYS  40  -3.837  -4.023  -1.073
  282    HA   CYS  40           HA       CYS  40  -3.387  -1.703   0.550
  283   1HB   CYS  40          2HB       CYS  40  -3.901  -2.267  -2.275
  284   2HB   CYS  40          1HB       CYS  40  -4.660  -0.786  -1.704
  285    HG   CYS  40           HG       CYS  40  -2.399   0.049  -2.362
  286    H    ARG  41           H        ARG  41  -4.893  -0.122   1.134
  287    HA   ARG  41           HA       ARG  41  -7.640  -0.201   0.693
  288   1HB   ARG  41          2HB       ARG  41  -8.067  -2.074   1.944
  289   2HB   ARG  41          1HB       ARG  41  -6.650  -1.851   2.956
  290   1HG   ARG  41          2HG       ARG  41  -7.733  -0.390   4.382
  291   2HG   ARG  41          1HG       ARG  41  -8.977   0.002   3.194
  292   1HD   ARG  41          2HD       ARG  41  -8.821  -2.825   4.027
  293   2HD   ARG  41          1HD       ARG  41  -9.356  -1.685   5.262
  294    HE   ARG  41           HE       ARG  41 -10.875  -2.626   3.081
  295   1HH1  ARG  41          1HH1      ARG  41 -10.229   0.303   4.865
  296   2HH1  ARG  41          2HH1      ARG  41 -11.779   0.997   4.530
  297   1HH2  ARG  41          1HH2      ARG  41 -12.915  -1.714   2.640
  298   2HH2  ARG  41          2HH2      ARG  41 -13.304  -0.148   3.268
  299    H    LYS  42           H        LYS  42  -8.318   1.816   1.107
  300    HA   LYS  42           HA       LYS  42  -6.750   3.845   2.060
  301   1HB   LYS  42          2HB       LYS  42  -9.754   3.730   2.360
  302   2HB   LYS  42          1HB       LYS  42  -8.751   5.159   2.201
  303   1HG   LYS  42          2HG       LYS  42  -8.915   5.096  -0.001
  304   2HG   LYS  42          1HG       LYS  42  -8.293   3.445  -0.035
  305   1HD   LYS  42          2HD       LYS  42 -10.359   2.529  -0.196
  306   2HD   LYS  42          1HD       LYS  42 -11.102   3.766   0.819
  307   1HE   LYS  42          2HE       LYS  42 -10.473   5.261  -1.315
  308   2HE   LYS  42          1HE       LYS  42 -10.686   3.701  -2.108
  309   1HZ   LYS  42          1HZ       LYS  42 -12.888   3.551  -1.078
  310   2HZ   LYS  42          2HZ       LYS  42 -12.755   4.906  -2.079
  311   3HZ   LYS  42          3HZ       LYS  42 -12.681   5.087  -0.400
  312    H    LEU  43           H        LEU  43  -6.296   4.745   3.990
  313    HA   LEU  43           HA       LEU  43  -6.355   3.213   6.311
  314   1HB   LEU  43          2HB       LEU  43  -6.207   6.215   6.316
  315   2HB   LEU  43          1HB       LEU  43  -5.451   5.088   7.428
  316    HG   LEU  43           HG       LEU  43  -4.681   5.523   4.542
  317   1HD1  LEU  43          1HD1      LEU  43  -3.988   7.341   5.977
  318   2HD1  LEU  43          2HD1      LEU  43  -2.595   6.374   5.497
  319   3HD1  LEU  43          3HD1      LEU  43  -3.274   6.199   7.114
  320   1HD2  LEU  43          1HD2      LEU  43  -4.245   3.263   4.922
  321   2HD2  LEU  43          2HD2      LEU  43  -3.769   3.542   6.598
  322   3HD2  LEU  43          3HD2      LEU  43  -2.712   4.058   5.284
  323    H    ASP  44           H        ASP  44  -8.591   5.682   5.161
  324    HA   ASP  44           HA       ASP  44 -10.327   5.078   7.461
  325   1HB   ASP  44          2HB       ASP  44  -9.360   7.457   7.197
  326   2HB   ASP  44          1HB       ASP  44 -10.499   7.620   5.864
  327    HA   PRO  45           HA       PRO  45 -12.011   4.321   8.075
  328   1HB   PRO  45          2HB       PRO  45 -13.414   2.028   7.996
  329   2HB   PRO  45          1HB       PRO  45 -14.198   3.606   7.859
  330   1HG   PRO  45          2HG       PRO  45 -13.466   1.662   5.704
  331   2HG   PRO  45          1HG       PRO  45 -14.956   2.603   5.903
  332   1HD   PRO  45          2HD       PRO  45 -12.937   3.322   4.211
  333   2HD   PRO  45          1HD       PRO  45 -14.035   4.489   4.976
  334    HA   PRO  46           HA       PRO  46  -8.624   1.431   7.920
  335   1HB   PRO  46          2HB       PRO  46  -8.126   1.207  10.539
  336   2HB   PRO  46          1HB       PRO  46  -7.823   2.718   9.672
  337   1HG   PRO  46          2HG       PRO  46 -10.117   1.973  11.438
  338   2HG   PRO  46          1HG       PRO  46  -9.234   3.506  11.337
  339   1HD   PRO  46          2HD       PRO  46 -11.666   3.017  10.126
  340   2HD   PRO  46          1HD       PRO  46 -10.510   4.256   9.599
  341    H    GLY  47           H        GLY  47  -9.018  -0.629   7.340
  342   1HA   GLY  47          2HA       GLY  47  -9.206  -2.910   7.943
  343   2HA   GLY  47          1HA       GLY  47 -10.121  -2.431   9.363
  344    H    GLY  48           H        GLY  48 -10.263  -3.424   6.087
  345   1HA   GLY  48          2HA       GLY  48 -13.058  -3.974   6.278
  346   2HA   GLY  48          1HA       GLY  48 -12.747  -2.599   5.229
  347    H    GLN  49           H        GLN  49 -13.581  -3.758   3.452
  348    HA   GLN  49           HA       GLN  49 -12.552  -6.265   2.628
  349   1HB   GLN  49          2HB       GLN  49 -14.051  -4.104   1.155
  350   2HB   GLN  49          1HB       GLN  49 -13.590  -5.626   0.405
  351   1HG   GLN  49          2HG       GLN  49 -14.961  -6.870   1.892
  352   2HG   GLN  49          1HG       GLN  49 -15.257  -5.454   2.899
  353   1HE2  GLN  49          1HE2      GLN  49 -17.371  -5.119   2.723
  354   2HE2  GLN  49          2HE2      GLN  49 -18.233  -4.923   1.238
  355    H    PHE  50           H        PHE  50 -10.269  -5.723   2.964
  356    HA   PHE  50           HA       PHE  50  -8.698  -3.908   1.721
  357   1HB   PHE  50          2HB       PHE  50  -8.301  -6.709   2.566
  358   2HB   PHE  50          1HB       PHE  50  -7.120  -6.098   1.413
  359    HD1  PHE  50           1HD      PHE  50  -8.293  -6.015   4.825
  360    HD2  PHE  50           2HD      PHE  50  -5.752  -4.111   1.993
  361    HE1  PHE  50           1HE      PHE  50  -7.085  -4.907   6.660
  362    HE2  PHE  50           2HE      PHE  50  -4.537  -3.000   3.823
  363    HZ   PHE  50           HZ       PHE  50  -5.204  -3.399   6.160
  364    H    TYR  51           H        TYR  51  -7.313  -4.013  -0.198
  365    HA   TYR  51           HA       TYR  51  -8.302  -5.637  -2.403
  366   1HB   TYR  51          2HB       TYR  51  -8.813  -2.765  -2.106
  367   2HB   TYR  51          1HB       TYR  51  -8.069  -3.189  -3.643
  368    HD1  TYR  51           1HD      TYR  51 -11.063  -2.375  -2.455
  369    HD2  TYR  51           2HD      TYR  51  -9.240  -5.718  -4.353
  370    HE1  TYR  51           1HE      TYR  51 -13.257  -3.075  -3.317
  371    HE2  TYR  51           2HE      TYR  51 -11.428  -6.427  -5.221
  372    HH   TYR  51           HH       TYR  51 -14.019  -5.942  -4.301
  373    H    ASN  52           H        ASN  52  -6.703  -6.286  -3.698
  374    HA   ASN  52           HA       ASN  52  -4.023  -5.911  -3.076
  375   1HB   ASN  52          2HB       ASN  52  -5.152  -7.703  -4.565
  376   2HB   ASN  52          1HB       ASN  52  -4.924  -6.549  -5.874
  377   1HD2  ASN  52          1HD2      ASN  52  -3.722  -8.774  -6.334
  378   2HD2  ASN  52          2HD2      ASN  52  -2.024  -8.711  -6.021
  379    H    SER  53           H        SER  53  -2.583  -4.358  -3.470
  380    HA   SER  53           HA       SER  53  -3.255  -1.855  -4.456
  381   1HB   SER  53          2HB       SER  53  -1.008  -1.276  -4.185
  382   2HB   SER  53          1HB       SER  53  -1.186  -2.637  -3.078
  383    HG   SER  53           HG       SER  53  -0.449  -3.932  -4.972
  384    H    LYS  54           H        LYS  54  -2.073  -4.677  -6.144
  385    HA   LYS  54           HA       LYS  54  -1.497  -3.293  -8.587
  386   1HB   LYS  54          2HB       LYS  54  -1.107  -5.918  -7.528
  387   2HB   LYS  54          1HB       LYS  54  -1.916  -6.060  -9.082
  388   1HG   LYS  54          2HG       LYS  54  -0.136  -4.585 -10.042
  389   2HG   LYS  54          1HG       LYS  54   0.709  -4.714  -8.499
  390   1HD   LYS  54          2HD       LYS  54   0.443  -7.274  -8.868
  391   2HD   LYS  54          1HD       LYS  54   0.179  -6.824 -10.554
  392   1HE   LYS  54          2HE       LYS  54   2.589  -6.099  -8.890
  393   2HE   LYS  54          1HE       LYS  54   2.528  -7.372 -10.109
  394   1HZ   LYS  54          1HZ       LYS  54   2.598  -5.889 -11.794
  395   2HZ   LYS  54          2HZ       LYS  54   3.368  -4.928 -10.635
  396   3HZ   LYS  54          3HZ       LYS  54   1.724  -4.704 -10.960
  397    H    ARG  55           H        ARG  55  -4.375  -4.040  -7.105
  398    HA   ARG  55           HA       ARG  55  -5.775  -4.274  -9.684
  399   1HB   ARG  55          2HB       ARG  55  -5.943  -6.066  -7.717
  400   2HB   ARG  55          1HB       ARG  55  -7.172  -4.945  -7.146
  401   1HG   ARG  55          2HG       ARG  55  -8.579  -5.374  -8.896
  402   2HG   ARG  55          1HG       ARG  55  -7.265  -5.829  -9.983
  403   1HD   ARG  55          2HD       ARG  55  -7.950  -7.929  -9.586
  404   2HD   ARG  55          1HD       ARG  55  -7.070  -7.751  -8.069
  405    HE   ARG  55           HE       ARG  55  -9.566  -6.781  -7.534
  406   1HH1  ARG  55          1HH1      ARG  55  -8.307  -9.799  -8.754
  407   2HH1  ARG  55          2HH1      ARG  55  -9.594 -10.749  -8.088
  408   1HH2  ARG  55          1HH2      ARG  55 -11.259  -8.028  -6.659
  409   2HH2  ARG  55          2HH2      ARG  55 -11.270  -9.743  -6.899
  410    H    ILE  56           H        ILE  56  -4.957  -2.006  -7.529
  411    HA   ILE  56           HA       ILE  56  -7.559  -0.647  -7.541
  412    HB   ILE  56           HB       ILE  56  -5.060  -0.017  -5.972
  413   1HG1  ILE  56          2HG1      ILE  56  -7.713  -1.210  -5.137
  414   2HG1  ILE  56          1HG1      ILE  56  -6.172  -2.059  -5.219
  415   1HG2  ILE  56          1HG2      ILE  56  -7.781   1.283  -5.988
  416   2HG2  ILE  56          2HG2      ILE  56  -6.230   2.027  -6.385
  417   3HG2  ILE  56          3HG2      ILE  56  -6.576   1.538  -4.724
  418   1HD1  ILE  56          1HD1      ILE  56  -5.903  -1.555  -3.086
  419   2HD1  ILE  56          2HD1      ILE  56  -7.281  -0.453  -3.106
  420   3HD1  ILE  56          3HD1      ILE  56  -5.683   0.123  -3.582
  421    H    ASP  57           H        ASP  57  -7.686   1.571  -8.179
  422    HA   ASP  57           HA       ASP  57  -5.742   2.239 -10.272
  423   1HB   ASP  57          2HB       ASP  57  -8.307   2.099 -10.661
  424   2HB   ASP  57          1HB       ASP  57  -8.354   3.666  -9.859
  425    H    PHE  58           H        PHE  58  -4.160   3.549  -9.651
  426    HA   PHE  58           HA       PHE  58  -4.641   5.511  -7.537
  427   1HB   PHE  58          2HB       PHE  58  -2.098   4.568  -8.869
  428   2HB   PHE  58          1HB       PHE  58  -2.155   5.826  -7.640
  429    HD1  PHE  58           1HD      PHE  58  -3.091   5.209  -5.353
  430    HD2  PHE  58           2HD      PHE  58  -1.968   2.325  -8.274
  431    HE1  PHE  58           1HE      PHE  58  -2.920   3.497  -3.592
  432    HE2  PHE  58           2HE      PHE  58  -1.798   0.608  -6.520
  433    HZ   PHE  58           HZ       PHE  58  -2.267   1.194  -4.175
  434    H    ASP  59           H        ASP  59  -5.539   5.698 -10.451
  435    HA   ASP  59           HA       ASP  59  -4.165   8.202 -11.153
  436   1HB   ASP  59          2HB       ASP  59  -5.880   6.463 -12.935
  437   2HB   ASP  59          1HB       ASP  59  -4.916   7.850 -13.430
  438    H    LEU  60           H        LEU  60  -7.191   6.829 -10.218
  439    HA   LEU  60           HA       LEU  60  -8.634   9.254 -10.924
  440   1HB   LEU  60          2HB       LEU  60  -9.902   6.902  -9.587
  441   2HB   LEU  60          1HB       LEU  60 -10.615   8.064 -10.688
  442    HG   LEU  60           HG       LEU  60  -8.656   5.903 -11.469
  443   1HD1  LEU  60          1HD1      LEU  60 -11.219   5.480 -10.792
  444   2HD1  LEU  60          2HD1      LEU  60 -10.381   4.569 -12.049
  445   3HD1  LEU  60          3HD1      LEU  60 -11.423   5.922 -12.488
  446   1HD2  LEU  60          1HD2      LEU  60  -8.684   6.693 -13.599
  447   2HD2  LEU  60          2HD2      LEU  60  -8.916   8.219 -12.748
  448   3HD2  LEU  60          3HD2      LEU  60 -10.301   7.378 -13.442
  449    H    TYR  61           H        TYR  61  -6.634   9.194  -8.792
  450    HA   TYR  61           HA       TYR  61  -8.359  10.135  -6.614
  451   1HB   TYR  61          2HB       TYR  61  -5.902   8.402  -6.280
  452   2HB   TYR  61          1HB       TYR  61  -6.791   9.160  -4.965
  453    HD1  TYR  61           1HD      TYR  61  -6.206   6.115  -6.055
  454    HD2  TYR  61           2HD      TYR  61  -9.575   8.687  -5.690
  455    HE1  TYR  61           1HE      TYR  61  -7.683   4.153  -5.936
  456    HE2  TYR  61           2HE      TYR  61 -11.061   6.731  -5.569
  457    HH   TYR  61           HH       TYR  61 -10.979   4.384  -5.027
  458    H    THR  62           H        THR  62  -5.031  10.036  -7.864
  459    HA   THR  62           HA       THR  62  -4.805  12.901  -7.521
  460    HB   THR  62           HB       THR  62  -4.106  12.173  -5.328
  461    HG1  THR  62           1HG      THR  62  -2.544  13.543  -5.449
  462   1HG2  THR  62          1HG2      THR  62  -2.026  10.446  -6.642
  463   2HG2  THR  62          2HG2      THR  62  -3.513   9.841  -5.911
  464   3HG2  THR  62          3HG2      THR  62  -2.308  10.657  -4.914
  465   1H    SER  63          1HT       SER  63  15.960   9.537  -8.582
  466   2H    SER  63          2HT       SER  63  16.003   8.327  -9.799
  467   3H    SER  63          3HT       SER  63  17.168   8.323  -8.537
  468    HA   SER  63           HA       SER  63  14.283   8.054  -8.070
  469   1HB   SER  63          2HB       SER  63  16.313   6.107  -9.007
  470   2HB   SER  63          1HB       SER  63  15.271   5.561  -7.693
  471    HG   SER  63           HG       SER  63  14.376   6.647 -10.160
  472    H    HIS  64           H        HIS  64  14.895   9.537  -6.292
  473    HA   HIS  64           HA       HIS  64  16.553   8.345  -4.205
  474   1HB   HIS  64          2HB       HIS  64  16.198  10.547  -3.052
  475   2HB   HIS  64          1HB       HIS  64  16.992  10.669  -4.619
  476    HD1  HIS  64           1HD      HIS  64  15.716  11.862  -6.504
  477    HD2  HIS  64           2HD      HIS  64  13.611  11.642  -2.928
  478    HE1  HIS  64           1HE      HIS  64  13.767  13.427  -6.775
  479    HE2  HIS  64           2HE      HIS  64  12.563  13.351  -4.562
  480    H    ARG  65           H        ARG  65  14.418   6.790  -4.509
  481    HA   ARG  65           HA       ARG  65  12.332   7.626  -2.661
  482   1HB   ARG  65          2HB       ARG  65  11.343   6.551  -4.445
  483   2HB   ARG  65          1HB       ARG  65  12.665   5.411  -4.632
  484   1HG   ARG  65          2HG       ARG  65  11.007   5.225  -2.177
  485   2HG   ARG  65          1HG       ARG  65  10.302   4.686  -3.702
  486   1HD   ARG  65          2HD       ARG  65  12.768   3.662  -2.320
  487   2HD   ARG  65          1HD       ARG  65  11.300   2.777  -2.729
  488    HE   ARG  65           HE       ARG  65  12.197   3.516  -5.145
  489   1HH1  ARG  65          1HH1      ARG  65  13.801   2.005  -2.436
  490   2HH1  ARG  65          2HH1      ARG  65  14.935   1.150  -3.426
  491   1HH2  ARG  65          1HH2      ARG  65  13.689   2.391  -6.446
  492   2HH2  ARG  65          2HH2      ARG  65  14.872   1.369  -5.701
  493    HA   PRO  66           HA       PRO  66  14.254   5.412   0.684
  494   1HB   PRO  66          2HB       PRO  66  12.381   5.790   2.547
  495   2HB   PRO  66          1HB       PRO  66  13.350   7.136   1.935
  496   1HG   PRO  66          2HG       PRO  66  10.545   6.357   1.263
  497   2HG   PRO  66          1HG       PRO  66  11.236   7.973   1.489
  498   1HD   PRO  66          2HD       PRO  66  10.785   6.760  -0.965
  499   2HD   PRO  66          1HD       PRO  66  11.912   8.101  -0.684
  500    HA   PRO  67           HA       PRO  67  12.280   1.451   1.003
  501   1HB   PRO  67          2HB       PRO  67  13.236   0.521   3.307
  502   2HB   PRO  67          1HB       PRO  67  14.322   0.918   1.970
  503   1HG   PRO  67          2HG       PRO  67  13.763   2.433   4.473
  504   2HG   PRO  67          1HG       PRO  67  15.278   2.276   3.568
  505   1HD   PRO  67          2HD       PRO  67  13.466   4.429   3.439
  506   2HD   PRO  67          1HD       PRO  67  14.811   4.122   2.328
  507    HA   PRO  68           HA       PRO  68   8.498   2.262   3.335
  508   1HB   PRO  68          2HB       PRO  68   7.124   0.094   2.444
  509   2HB   PRO  68          1HB       PRO  68   7.326   1.566   1.486
  510   1HG   PRO  68          2HG       PRO  68   8.841  -1.012   1.339
  511   2HG   PRO  68          1HG       PRO  68   8.221  -0.002   0.020
  512   1HD   PRO  68          2HD       PRO  68  10.815   0.045   0.782
  513   2HD   PRO  68          1HD       PRO  68   9.981   1.484   0.161
  514    HA   PRO  69           HA       PRO  69   8.713  -0.324   6.898
  515   1HB   PRO  69          2HB       PRO  69   6.085  -0.894   7.426
  516   2HB   PRO  69          1HB       PRO  69   6.858   0.645   7.808
  517   1HG   PRO  69          2HG       PRO  69   5.103  -0.076   5.505
  518   2HG   PRO  69          1HG       PRO  69   5.160   1.420   6.450
  519   1HD   PRO  69          2HD       PRO  69   6.271   1.194   3.990
  520   2HD   PRO  69          1HD       PRO  69   6.936   2.258   5.245
  521    H    GLY  70           H        GLY  70   7.711  -2.433   7.860
  522   1HA   GLY  70          2HA       GLY  70   7.321  -4.690   7.679
  523   2HA   GLY  70          1HA       GLY  70   6.811  -4.420   6.021
  524    H    HIS  71           H        HIS  71   8.705  -3.855   4.511
  525    HA   HIS  71           HA       HIS  71  10.415  -4.825   3.341
  526   1HB   HIS  71          2HB       HIS  71  12.550  -4.365   4.283
  527   2HB   HIS  71          1HB       HIS  71  11.465  -3.135   4.895
  528    HD1  HIS  71           1HD      HIS  71  12.795  -2.627   6.915
  529    HD2  HIS  71           2HD      HIS  71  11.802  -6.637   6.700
  530    HE1  HIS  71           1HE      HIS  71  13.401  -3.582   9.161
  531    HE2  HIS  71           2HE      HIS  71  12.689  -5.995   9.037
  532    H    ARG  72           H        ARG  72  12.614  -6.346   4.137
  533    HA   ARG  72           HA       ARG  72  12.066  -8.559   5.713
  534   1HB   ARG  72          2HB       ARG  72  11.656 -10.269   3.899
  535   2HB   ARG  72          1HB       ARG  72  10.304  -9.202   4.249
  536   1HG   ARG  72          2HG       ARG  72  11.908  -8.037   2.193
  537   2HG   ARG  72          1HG       ARG  72  11.531  -9.706   1.766
  538   1HD   ARG  72          2HD       ARG  72   9.528  -7.600   2.578
  539   2HD   ARG  72          1HD       ARG  72   9.839  -8.140   0.928
  540    HE   ARG  72           HE       ARG  72   8.287  -9.492   2.931
  541   1HH1  ARG  72          1HH1      ARG  72  10.163  -9.894   0.017
  542   2HH1  ARG  72          2HH1      ARG  72   9.374 -11.368  -0.437
  543   1HH2  ARG  72          1HH2      ARG  72   7.248 -11.429   2.337
  544   2HH2  ARG  72          2HH2      ARG  72   7.718 -12.239   0.879
  545    H    VAL  73           H        VAL  73  14.186  -8.534   6.254
  546    HA   VAL  73           HA       VAL  73  16.329  -8.238   4.447
  547    HB   VAL  73           HB       VAL  73  17.742  -9.131   6.311
  548   1HG1  VAL  73          1HG1      VAL  73  17.642  -7.166   7.512
  549   2HG1  VAL  73          2HG1      VAL  73  15.880  -7.101   7.465
  550   3HG1  VAL  73          3HG1      VAL  73  16.816  -6.709   6.023
  551   1HG2  VAL  73          1HG2      VAL  73  16.892 -10.019   8.223
  552   2HG2  VAL  73          2HG2      VAL  73  15.605 -10.501   7.118
  553   3HG2  VAL  73          3HG2      VAL  73  15.407  -9.074   8.134
  Start of MODEL    8
    1   1H    ASP   1          1HT       ASP   1  -4.054  15.425  -0.752
    2   2H    ASP   1          2HT       ASP   1  -4.686  14.794   0.713
    3   3H    ASP   1          3HT       ASP   1  -5.334  14.287  -0.793
    4    HA   ASP   1           HA       ASP   1  -3.228  13.312  -1.371
    5   1HB   ASP   1          2HB       ASP   1  -2.502  14.049   1.476
    6   2HB   ASP   1          1HB       ASP   1  -1.496  13.139   0.353
    7    H    VAL   2           H        VAL   2  -5.095  11.859  -1.429
    8    HA   VAL   2           HA       VAL   2  -6.045  10.485   0.838
    9    HB   VAL   2           HB       VAL   2  -6.001   9.467  -2.006
   10   1HG1  VAL   2          1HG1      VAL   2  -7.998   8.210  -1.308
   11   2HG1  VAL   2          2HG1      VAL   2  -7.777   8.802   0.338
   12   3HG1  VAL   2          3HG1      VAL   2  -6.564   7.750  -0.392
   13   1HG2  VAL   2          1HG2      VAL   2  -7.955  11.280  -0.602
   14   2HG2  VAL   2          2HG2      VAL   2  -8.304  10.443  -2.114
   15   3HG2  VAL   2          3HG2      VAL   2  -7.004  11.632  -2.045
   16    H    MET   3           H        MET   3  -4.803   9.299   2.138
   17    HA   MET   3           HA       MET   3  -2.440   7.951   1.186
   18   1HB   MET   3          2HB       MET   3  -3.785   7.927   3.891
   19   2HB   MET   3          1HB       MET   3  -2.223   7.202   3.538
   20   1HG   MET   3          2HG       MET   3  -1.220   9.297   3.168
   21   2HG   MET   3          1HG       MET   3  -2.779  10.115   3.086
   22   1HE   MET   3          1HE       MET   3  -0.436  10.952   6.424
   23   2HE   MET   3          2HE       MET   3  -0.750  11.544   4.792
   24   3HE   MET   3          3HE       MET   3   0.200  10.077   5.031
   25    H    TRP   4           H        TRP   4  -2.067   5.618   1.677
   26    HA   TRP   4           HA       TRP   4  -4.472   3.971   1.718
   27   1HB   TRP   4          2HB       TRP   4  -2.516   4.014  -0.576
   28   2HB   TRP   4          1HB       TRP   4  -3.611   2.669  -0.278
   29    HD1  TRP   4           HD       TRP   4  -3.802   6.471  -0.993
   30    HE1  TRP   4           1HE      TRP   4  -5.967   6.918  -2.313
   31    HE3  TRP   4           3HE      TRP   4  -5.764   1.758  -0.938
   32    HZ2  TRP   4           2HZ      TRP   4  -8.214   5.457  -3.209
   33    HZ3  TRP   4           3HZ      TRP   4  -7.923   1.365  -2.043
   34    HH2  TRP   4           HH       TRP   4  -9.122   3.175  -3.156
   35    H    GLU   5           H        GLU   5  -4.124   2.466   3.194
   36    HA   GLU   5           HA       GLU   5  -1.526   1.777   4.131
   37   1HB   GLU   5          2HB       GLU   5  -2.697   0.110   5.516
   38   2HB   GLU   5          1HB       GLU   5  -3.439   1.700   5.630
   39   1HG   GLU   5          2HG       GLU   5  -5.376   0.992   4.770
   40   2HG   GLU   5          1HG       GLU   5  -4.585  -0.008   3.553
   41    H    TYR   6           H        TYR   6  -0.736  -0.512   4.203
   42    HA   TYR   6           HA       TYR   6  -1.617  -2.228   2.046
   43   1HB   TYR   6          2HB       TYR   6   0.293  -2.198   0.727
   44   2HB   TYR   6          1HB       TYR   6   0.119  -0.502   1.154
   45    HD1  TYR   6           1HD      TYR   6   1.986  -3.601   1.934
   46    HD2  TYR   6           2HD      TYR   6   1.821   0.629   2.363
   47    HE1  TYR   6           1HE      TYR   6   4.280  -3.609   2.818
   48    HE2  TYR   6           2HE      TYR   6   4.116   0.632   3.248
   49    HH   TYR   6           HH       TYR   6   6.160  -0.878   3.074
   50    H    LYS   7           H        LYS   7  -1.228  -4.345   2.445
   51    HA   LYS   7           HA       LYS   7   0.533  -5.003   4.704
   52   1HB   LYS   7          2HB       LYS   7  -1.757  -5.182   5.478
   53   2HB   LYS   7          1HB       LYS   7  -2.189  -6.167   4.089
   54   1HG   LYS   7          2HG       LYS   7  -0.501  -7.854   4.934
   55   2HG   LYS   7          1HG       LYS   7  -0.456  -6.909   6.423
   56   1HD   LYS   7          2HD       LYS   7  -3.057  -7.863   5.276
   57   2HD   LYS   7          1HD       LYS   7  -2.067  -8.918   6.286
   58   1HE   LYS   7          2HE       LYS   7  -2.512  -7.753   8.173
   59   2HE   LYS   7          1HE       LYS   7  -2.540  -6.203   7.334
   60   1HZ   LYS   7          1HZ       LYS   7  -4.713  -8.177   6.992
   61   2HZ   LYS   7          2HZ       LYS   7  -4.740  -6.512   6.686
   62   3HZ   LYS   7          3HZ       LYS   7  -4.717  -7.078   8.280
   63    H    TRP   8           H        TRP   8   2.028  -6.491   4.268
   64    HA   TRP   8           HA       TRP   8   2.460  -7.473   1.691
   65   1HB   TRP   8          2HB       TRP   8   3.533  -8.362   4.370
   66   2HB   TRP   8          1HB       TRP   8   4.094  -9.039   2.844
   67    HD1  TRP   8           HD       TRP   8   5.019  -6.480   5.240
   68    HE1  TRP   8           1HE      TRP   8   6.589  -4.730   4.196
   69    HE3  TRP   8           3HE      TRP   8   4.314  -7.596   0.300
   70    HZ2  TRP   8           2HZ      TRP   8   7.422  -3.928   1.623
   71    HZ3  TRP   8           3HZ      TRP   8   5.537  -6.290  -1.388
   72    HH2  TRP   8           HH       TRP   8   7.057  -4.493  -0.739
   73    H    GLU   9           H        GLU   9   1.253  -9.192   4.568
   74    HA   GLU   9           HA       GLU   9   0.544 -11.485   2.919
   75   1HB   GLU   9          2HB       GLU   9   0.120 -11.120   5.886
   76   2HB   GLU   9          1HB       GLU   9   0.071 -12.628   4.983
   77   1HG   GLU   9          2HG       GLU   9   2.543 -10.940   5.131
   78   2HG   GLU   9          1HG       GLU   9   2.155 -12.151   6.351
   79    H    ASN  10           H        ASN  10  -1.619 -12.466   3.149
   80    HA   ASN  10           HA       ASN  10  -3.669 -10.370   3.094
   81   1HB   ASN  10          2HB       ASN  10  -5.042 -12.193   1.959
   82   2HB   ASN  10          1HB       ASN  10  -3.660 -11.582   1.057
   83   1HD2  ASN  10          1HD2      ASN  10  -1.830 -12.880   0.821
   84   2HD2  ASN  10          2HD2      ASN  10  -1.888 -14.587   1.080
   85    H    THR  11           H        THR  11  -2.748 -11.243   5.605
   86    HA   THR  11           HA       THR  11  -4.947 -12.914   6.602
   87    HB   THR  11           HB       THR  11  -3.610 -13.575   8.366
   88    HG1  THR  11           1HG      THR  11  -1.810 -12.354   9.079
   89   1HG2  THR  11          1HG2      THR  11  -1.647 -12.939   6.188
   90   2HG2  THR  11          2HG2      THR  11  -2.517 -14.451   6.440
   91   3HG2  THR  11          3HG2      THR  11  -1.291 -13.936   7.597
   92    H    GLY  12           H        GLY  12  -5.158 -12.218   9.171
   93   1HA   GLY  12          2HA       GLY  12  -6.108  -9.432   9.019
   94   2HA   GLY  12          1HA       GLY  12  -6.777 -10.670  10.071
   95    H    ASP  13           H        ASP  13  -3.624 -11.256  10.317
   96    HA   ASP  13           HA       ASP  13  -3.298  -9.411  12.585
   97   1HB   ASP  13          2HB       ASP  13  -1.744 -11.164  13.495
   98   2HB   ASP  13          1HB       ASP  13  -3.425 -11.672  13.372
   99    H    ALA  14           H        ALA  14  -1.962 -10.462   9.583
  100    HA   ALA  14           HA       ALA  14   0.716 -10.034   9.742
  101   1HB   ALA  14          1HB       ALA  14   0.639 -10.127   7.516
  102   2HB   ALA  14          2HB       ALA  14  -0.374  -8.687   7.409
  103   3HB   ALA  14          3HB       ALA  14  -1.110 -10.264   7.691
  104    H    GLU  15           H        GLU  15   2.047  -8.155   9.060
  105    HA   GLU  15           HA       GLU  15   1.633  -5.953  10.734
  106   1HB   GLU  15          2HB       GLU  15   3.369  -5.843   8.281
  107   2HB   GLU  15          1HB       GLU  15   3.604  -5.037   9.825
  108   1HG   GLU  15          2HG       GLU  15   3.984  -7.948   9.186
  109   2HG   GLU  15          1HG       GLU  15   5.198  -6.776   9.693
  110    H    LEU  16           H        LEU  16   0.823  -3.956  10.421
  111    HA   LEU  16           HA       LEU  16  -0.566  -3.477   7.868
  112   1HB   LEU  16          2HB       LEU  16  -1.774  -3.710  10.221
  113   2HB   LEU  16          1HB       LEU  16  -1.333  -2.018  10.346
  114    HG   LEU  16           HG       LEU  16  -3.563  -2.123   9.508
  115   1HD1  LEU  16          1HD1      LEU  16  -3.374  -0.749   7.662
  116   2HD1  LEU  16          2HD1      LEU  16  -2.000  -1.641   7.007
  117   3HD1  LEU  16          3HD1      LEU  16  -1.783  -0.589   8.406
  118   1HD2  LEU  16          1HD2      LEU  16  -3.744  -3.284   7.129
  119   2HD2  LEU  16          2HD2      LEU  16  -4.000  -4.177   8.628
  120   3HD2  LEU  16          3HD2      LEU  16  -2.447  -4.274   7.797
  121    H    TYR  17           H        TYR  17   0.453  -2.054   6.649
  122    HA   TYR  17           HA       TYR  17   1.505   0.389   7.901
  123   1HB   TYR  17          2HB       TYR  17   2.888  -1.177   5.709
  124   2HB   TYR  17          1HB       TYR  17   3.434   0.350   6.388
  125    HD1  TYR  17           1HD      TYR  17   3.732  -3.156   6.557
  126    HD2  TYR  17           2HD      TYR  17   3.879   0.349   8.961
  127    HE1  TYR  17           1HE      TYR  17   5.057  -4.369   8.232
  128    HE2  TYR  17           2HE      TYR  17   5.203  -0.854  10.646
  129    HH   TYR  17           HH       TYR  17   6.725  -2.846  10.716
  130    H    GLY  18           H        GLY  18   2.410   1.573   5.521
  131   1HA   GLY  18          2HA       GLY  18   1.716   2.407   3.468
  132   2HA   GLY  18          1HA       GLY  18   0.214   1.533   3.650
  133    HA   PRO  19           HA       PRO  19  -1.059   5.322   6.003
  134   1HB   PRO  19          2HB       PRO  19   0.466   6.487   7.864
  135   2HB   PRO  19          1HB       PRO  19  -0.322   4.934   8.174
  136   1HG   PRO  19          2HG       PRO  19   2.517   5.500   7.419
  137   2HG   PRO  19          1HG       PRO  19   1.883   4.355   8.615
  138   1HD   PRO  19          2HD       PRO  19   2.669   3.662   6.067
  139   2HD   PRO  19          1HD       PRO  19   1.508   2.743   7.044
  140    H    PHE  20           H        PHE  20   1.094   5.345   3.813
  141    HA   PHE  20           HA       PHE  20   1.982   8.113   3.885
  142   1HB   PHE  20          2HB       PHE  20   2.550   6.279   1.597
  143   2HB   PHE  20          1HB       PHE  20   3.557   7.546   2.291
  144    HD1  PHE  20           1HD      PHE  20   5.047   7.092   4.099
  145    HD2  PHE  20           2HD      PHE  20   2.398   4.080   2.680
  146    HE1  PHE  20           1HE      PHE  20   6.284   5.398   5.389
  147    HE2  PHE  20           2HE      PHE  20   3.630   2.383   3.967
  148    HZ   PHE  20           HZ       PHE  20   5.572   3.047   5.324
  149    H    THR  21           H        THR  21   1.769   9.384   1.837
  150    HA   THR  21           HA       THR  21  -0.974   9.546   1.094
  151    HB   THR  21           HB       THR  21  -0.328  11.424  -0.257
  152    HG1  THR  21           1HG      THR  21   2.348  10.552   0.081
  153   1HG2  THR  21          1HG2      THR  21   0.721  12.844   1.270
  154   2HG2  THR  21          2HG2      THR  21   1.626  11.524   2.010
  155   3HG2  THR  21          3HG2      THR  21  -0.115  11.650   2.262
  156    H    SER  22           H        SER  22  -1.946   9.184  -0.922
  157    HA   SER  22           HA       SER  22  -1.396   6.858  -2.250
  158   1HB   SER  22          2HB       SER  22  -3.481   7.771  -2.761
  159   2HB   SER  22          1HB       SER  22  -2.811   9.368  -3.097
  160    HG   SER  22           HG       SER  22  -2.075   8.647  -5.048
  161    H    ALA  23           H        ALA  23   0.050   9.985  -2.698
  162    HA   ALA  23           HA       ALA  23   1.297   9.592  -5.182
  163   1HB   ALA  23          1HB       ALA  23   2.715  11.200  -3.145
  164   2HB   ALA  23          2HB       ALA  23   1.060  11.681  -3.517
  165   3HB   ALA  23          3HB       ALA  23   2.266  11.607  -4.802
  166    H    GLN  24           H        GLN  24   2.460   9.069  -1.864
  167    HA   GLN  24           HA       GLN  24   4.994   8.057  -2.636
  168   1HB   GLN  24          2HB       GLN  24   4.230   9.009  -0.350
  169   2HB   GLN  24          1HB       GLN  24   3.649   7.379  -0.037
  170   1HG   GLN  24          2HG       GLN  24   5.893   7.820   0.886
  171   2HG   GLN  24          1HG       GLN  24   5.860   6.485  -0.264
  172   1HE2  GLN  24          1HE2      GLN  24   7.810   6.495  -1.158
  173   2HE2  GLN  24          2HE2      GLN  24   8.558   7.855  -1.916
  174    H    MET  25           H        MET  25   1.877   6.620  -2.032
  175    HA   MET  25           HA       MET  25   2.748   3.916  -1.976
  176   1HB   MET  25          2HB       MET  25   0.095   5.266  -2.346
  177   2HB   MET  25          1HB       MET  25   0.245   3.538  -2.629
  178   1HG   MET  25          2HG       MET  25   0.892   4.975  -0.066
  179   2HG   MET  25          1HG       MET  25  -0.542   4.001  -0.381
  180   1HE   MET  25          1HE       MET  25   0.782   0.489  -0.856
  181   2HE   MET  25          2HE       MET  25   1.617   1.429  -2.092
  182   3HE   MET  25          3HE       MET  25  -0.073   1.768  -1.719
  183    H    GLN  26           H        GLN  26   1.388   5.992  -4.505
  184    HA   GLN  26           HA       GLN  26   1.255   4.138  -6.572
  185   1HB   GLN  26          2HB       GLN  26   1.496   7.097  -6.401
  186   2HB   GLN  26          1HB       GLN  26   1.858   6.359  -7.955
  187   1HG   GLN  26          2HG       GLN  26  -0.569   5.270  -6.881
  188   2HG   GLN  26          1HG       GLN  26  -0.647   7.031  -6.917
  189   1HE2  GLN  26          1HE2      GLN  26  -0.266   4.138  -8.826
  190   2HE2  GLN  26          2HE2      GLN  26  -0.627   4.859 -10.353
  191    H    THR  27           H        THR  27   3.965   6.146  -5.496
  192    HA   THR  27           HA       THR  27   5.767   5.514  -7.539
  193    HB   THR  27           HB       THR  27   6.367   6.120  -4.636
  194    HG1  THR  27           1HG      THR  27   6.034   7.790  -6.896
  195   1HG2  THR  27          1HG2      THR  27   8.207   6.909  -6.811
  196   2HG2  THR  27          2HG2      THR  27   8.215   5.221  -6.306
  197   3HG2  THR  27          3HG2      THR  27   8.541   6.495  -5.131
  198    H    TRP  28           H        TRP  28   5.455   4.038  -4.305
  199    HA   TRP  28           HA       TRP  28   7.351   2.017  -4.682
  200   1HB   TRP  28          2HB       TRP  28   4.997   2.358  -2.859
  201   2HB   TRP  28          1HB       TRP  28   5.873   0.833  -2.883
  202    HD1  TRP  28           HD       TRP  28   8.838   1.905  -3.072
  203    HE1  TRP  28           1HE      TRP  28   9.891   3.119  -1.058
  204    HE3  TRP  28           3HE      TRP  28   4.562   3.353  -0.670
  205    HZ2  TRP  28           2HZ      TRP  28   9.021   4.501   1.240
  206    HZ3  TRP  28           3HZ      TRP  28   4.761   4.624   1.429
  207    HH2  TRP  28           HH       TRP  28   6.945   5.184   2.363
  208    H    VAL  29           H        VAL  29   3.881   2.084  -5.340
  209    HA   VAL  29           HA       VAL  29   3.707  -0.658  -6.099
  210    HB   VAL  29           HB       VAL  29   1.834   1.652  -6.631
  211   1HG1  VAL  29          1HG1      VAL  29   1.651  -1.251  -7.280
  212   2HG1  VAL  29          2HG1      VAL  29   1.142   0.149  -8.224
  213   3HG1  VAL  29          3HG1      VAL  29   0.189  -0.370  -6.834
  214   1HG2  VAL  29          1HG2      VAL  29   2.219   1.072  -4.248
  215   2HG2  VAL  29          2HG2      VAL  29   1.642  -0.558  -4.591
  216   3HG2  VAL  29          3HG2      VAL  29   0.555   0.819  -4.774
  217    H    SER  30           H        SER  30   4.392   2.317  -7.812
  218    HA   SER  30           HA       SER  30   4.205   0.965 -10.394
  219   1HB   SER  30          2HB       SER  30   4.246   3.094 -11.399
  220   2HB   SER  30          1HB       SER  30   3.303   3.330  -9.928
  221    HG   SER  30           HG       SER  30   4.764   4.964  -9.959
  222    H    GLU  31           H        GLU  31   6.592   2.282  -8.199
  223    HA   GLU  31           HA       GLU  31   8.791   2.439  -9.903
  224   1HB   GLU  31          2HB       GLU  31   8.777   3.327  -7.610
  225   2HB   GLU  31          1HB       GLU  31   8.755   1.687  -6.974
  226   1HG   GLU  31          2HG       GLU  31  10.976   2.578  -6.835
  227   2HG   GLU  31          1HG       GLU  31  10.940   1.279  -8.025
  228    H    GLY  32           H        GLY  32   7.672  -0.303  -7.928
  229   1HA   GLY  32          2HA       GLY  32   8.135  -2.337  -9.655
  230   2HA   GLY  32          1HA       GLY  32   9.731  -2.033  -8.986
  231    H    TYR  33           H        TYR  33   8.489  -1.234  -6.372
  232    HA   TYR  33           HA       TYR  33   8.769  -3.621  -5.001
  233   1HB   TYR  33          2HB       TYR  33   7.187  -1.164  -4.226
  234   2HB   TYR  33          1HB       TYR  33   7.576  -2.478  -3.123
  235    HD1  TYR  33           1HD      TYR  33   9.711  -2.626  -2.098
  236    HD2  TYR  33           2HD      TYR  33   9.034   0.230  -5.178
  237    HE1  TYR  33           1HE      TYR  33  11.856  -1.549  -1.563
  238    HE2  TYR  33           2HE      TYR  33  11.177   1.313  -4.654
  239    HH   TYR  33           HH       TYR  33  12.876   0.761  -1.844
  240    H    PHE  34           H        PHE  34   7.120  -4.808  -3.739
  241    HA   PHE  34           HA       PHE  34   5.261  -6.112  -3.610
  242   1HB   PHE  34          2HB       PHE  34   3.706  -4.173  -5.286
  243   2HB   PHE  34          1HB       PHE  34   3.172  -5.126  -3.908
  244    HD1  PHE  34           1HD      PHE  34   2.866  -2.093  -4.529
  245    HD2  PHE  34           2HD      PHE  34   5.539  -4.340  -2.102
  246    HE1  PHE  34           1HE      PHE  34   3.173  -0.139  -3.066
  247    HE2  PHE  34           2HE      PHE  34   5.852  -2.391  -0.633
  248    HZ   PHE  34           HZ       PHE  34   4.666  -0.287  -1.117
  249    HA   PRO  35           HA       PRO  35   6.301  -7.285  -8.120
  250   1HB   PRO  35          2HB       PRO  35   7.253  -9.771  -7.286
  251   2HB   PRO  35          1HB       PRO  35   8.249  -8.377  -7.711
  252   1HG   PRO  35          2HG       PRO  35   7.396  -9.351  -5.024
  253   2HG   PRO  35          1HG       PRO  35   8.940  -8.639  -5.523
  254   1HD   PRO  35          2HD       PRO  35   7.134  -7.219  -4.150
  255   2HD   PRO  35          1HD       PRO  35   8.112  -6.471  -5.431
  256    H    ASP  36           H        ASP  36   4.655  -8.666  -5.381
  257    HA   ASP  36           HA       ASP  36   2.986 -10.260  -7.201
  258   1HB   ASP  36          2HB       ASP  36   4.158 -11.663  -5.606
  259   2HB   ASP  36          1HB       ASP  36   3.584 -10.673  -4.267
  260    H    GLY  37           H        GLY  37   3.046  -7.562  -5.132
  261   1HA   GLY  37          2HA       GLY  37   1.197  -6.034  -5.152
  262   2HA   GLY  37          1HA       GLY  37   0.111  -7.411  -5.261
  263    H    VAL  38           H        VAL  38  -0.126  -5.317  -3.376
  264    HA   VAL  38           HA       VAL  38   0.283  -6.854  -0.908
  265    HB   VAL  38           HB       VAL  38   0.592  -4.665   0.290
  266   1HG1  VAL  38          1HG1      VAL  38   2.459  -6.161  -0.153
  267   2HG1  VAL  38          2HG1      VAL  38   2.968  -4.478  -0.295
  268   3HG1  VAL  38          3HG1      VAL  38   2.680  -5.437  -1.747
  269   1HG2  VAL  38          1HG2      VAL  38  -0.166  -3.016  -1.171
  270   2HG2  VAL  38          2HG2      VAL  38   0.709  -3.694  -2.544
  271   3HG2  VAL  38          3HG2      VAL  38   1.589  -2.861  -1.263
  272    H    TYR  39           H        TYR  39  -1.178  -6.271   0.842
  273    HA   TYR  39           HA       TYR  39  -3.865  -6.018  -0.103
  274   1HB   TYR  39          2HB       TYR  39  -2.513  -6.866   2.295
  275   2HB   TYR  39          1HB       TYR  39  -3.819  -5.765   2.707
  276    HD1  TYR  39           1HD      TYR  39  -3.672  -8.215  -0.086
  277    HD2  TYR  39           2HD      TYR  39  -5.428  -7.180   3.648
  278    HE1  TYR  39           1HE      TYR  39  -5.286 -10.053  -0.343
  279    HE2  TYR  39           2HE      TYR  39  -7.048  -9.016   3.402
  280    HH   TYR  39           HH       TYR  39  -8.061 -10.323   1.414
  281    H    CYS  40           H        CYS  40  -3.967  -3.949  -1.029
  282    HA   CYS  40           HA       CYS  40  -3.319  -1.623   0.533
  283   1HB   CYS  40          2HB       CYS  40  -4.121  -2.183  -2.240
  284   2HB   CYS  40          1HB       CYS  40  -4.711  -0.654  -1.598
  285    HG   CYS  40           HG       CYS  40  -2.397   0.259  -1.559
  286    H    ARG  41           H        ARG  41  -4.812   0.090   0.988
  287    HA   ARG  41           HA       ARG  41  -7.591  -0.105   0.871
  288   1HB   ARG  41          2HB       ARG  41  -6.329  -1.546   3.087
  289   2HB   ARG  41          1HB       ARG  41  -7.543  -0.386   3.609
  290   1HG   ARG  41          2HG       ARG  41  -8.595  -1.806   1.399
  291   2HG   ARG  41          1HG       ARG  41  -7.908  -2.977   2.526
  292   1HD   ARG  41          2HD       ARG  41 -10.126  -2.696   3.239
  293   2HD   ARG  41          1HD       ARG  41  -9.167  -1.713   4.346
  294    HE   ARG  41           HE       ARG  41 -10.298  -0.361   2.031
  295   1HH1  ARG  41          1HH1      ARG  41 -10.540  -1.070   5.445
  296   2HH1  ARG  41          2HH1      ARG  41 -11.598   0.261   5.769
  297   1HH2  ARG  41          1HH2      ARG  41 -11.688   1.386   2.463
  298   2HH2  ARG  41          2HH2      ARG  41 -12.250   1.653   4.079
  299    H    LYS  42           H        LYS  42  -8.588   1.749   1.659
  300    HA   LYS  42           HA       LYS  42  -6.863   3.981   2.123
  301   1HB   LYS  42          2HB       LYS  42  -9.781   3.528   1.792
  302   2HB   LYS  42          1HB       LYS  42  -9.299   4.977   2.659
  303   1HG   LYS  42          2HG       LYS  42  -7.838   5.556   0.717
  304   2HG   LYS  42          1HG       LYS  42  -8.556   4.195  -0.146
  305   1HD   LYS  42          2HD       LYS  42 -10.595   5.873   1.025
  306   2HD   LYS  42          1HD       LYS  42  -9.523   6.812  -0.016
  307   1HE   LYS  42          2HE       LYS  42  -9.915   5.287  -1.853
  308   2HE   LYS  42          1HE       LYS  42 -10.894   4.249  -0.819
  309   1HZ   LYS  42          1HZ       LYS  42 -12.042   5.937  -2.373
  310   2HZ   LYS  42          2HZ       LYS  42 -11.636   7.074  -1.188
  311   3HZ   LYS  42          3HZ       LYS  42 -12.619   5.755  -0.792
  312    H    LEU  43           H        LEU  43  -6.088   4.643   3.992
  313    HA   LEU  43           HA       LEU  43  -6.235   3.410   6.395
  314   1HB   LEU  43          2HB       LEU  43  -6.129   6.406   6.295
  315   2HB   LEU  43          1HB       LEU  43  -5.300   5.317   7.391
  316    HG   LEU  43           HG       LEU  43  -4.666   5.734   4.468
  317   1HD1  LEU  43          1HD1      LEU  43  -3.206   6.470   6.991
  318   2HD1  LEU  43          2HD1      LEU  43  -3.928   7.572   5.818
  319   3HD1  LEU  43          3HD1      LEU  43  -2.534   6.589   5.365
  320   1HD2  LEU  43          1HD2      LEU  43  -3.497   3.849   6.504
  321   2HD2  LEU  43          2HD2      LEU  43  -2.691   4.283   4.997
  322   3HD2  LEU  43          3HD2      LEU  43  -4.241   3.443   4.957
  323    H    ASP  44           H        ASP  44  -8.295   6.167   5.457
  324    HA   ASP  44           HA       ASP  44 -10.171   5.345   7.574
  325   1HB   ASP  44          2HB       ASP  44  -8.957   7.616   7.776
  326   2HB   ASP  44          1HB       ASP  44 -10.019   8.140   6.473
  327    HA   PRO  45           HA       PRO  45 -12.027   5.032   8.101
  328   1HB   PRO  45          2HB       PRO  45 -14.012   3.257   7.847
  329   2HB   PRO  45          1HB       PRO  45 -14.318   4.996   7.751
  330   1HG   PRO  45          2HG       PRO  45 -14.064   2.991   5.545
  331   2HG   PRO  45          1HG       PRO  45 -15.223   4.322   5.721
  332   1HD   PRO  45          2HD       PRO  45 -12.952   4.437   4.168
  333   2HD   PRO  45          1HD       PRO  45 -13.768   5.856   4.851
  334    HA   PRO  46           HA       PRO  46  -9.618   1.301   7.922
  335   1HB   PRO  46          2HB       PRO  46  -9.650   0.591  10.502
  336   2HB   PRO  46          1HB       PRO  46  -8.823   2.059   9.962
  337   1HG   PRO  46          2HG       PRO  46 -11.508   1.761  11.248
  338   2HG   PRO  46          1HG       PRO  46 -10.247   2.969  11.556
  339   1HD   PRO  46          2HD       PRO  46 -12.455   3.407   9.974
  340   2HD   PRO  46          1HD       PRO  46 -10.923   4.289   9.815
  341    H    GLY  47           H        GLY  47  -9.948  -0.833   7.541
  342   1HA   GLY  47          2HA       GLY  47 -10.936  -2.935   7.700
  343   2HA   GLY  47          1HA       GLY  47 -12.127  -2.263   8.804
  344    H    GLY  48           H        GLY  48 -11.379  -3.047   5.527
  345   1HA   GLY  48          2HA       GLY  48 -14.174  -2.789   4.821
  346   2HA   GLY  48          1HA       GLY  48 -13.109  -1.683   3.969
  347    H    GLN  49           H        GLN  49 -14.119  -2.930   2.147
  348    HA   GLN  49           HA       GLN  49 -13.387  -5.623   1.679
  349   1HB   GLN  49          2HB       GLN  49 -14.550  -3.414   0.074
  350   2HB   GLN  49          1HB       GLN  49 -13.814  -4.744  -0.810
  351   1HG   GLN  49          2HG       GLN  49 -16.047  -4.945   1.197
  352   2HG   GLN  49          1HG       GLN  49 -16.180  -5.122  -0.551
  353   1HE2  GLN  49          1HE2      GLN  49 -14.082  -6.703  -1.169
  354   2HE2  GLN  49          2HE2      GLN  49 -14.247  -8.249  -0.414
  355    H    PHE  50           H        PHE  50 -11.133  -5.428   2.319
  356    HA   PHE  50           HA       PHE  50  -9.094  -4.010   1.289
  357   1HB   PHE  50          2HB       PHE  50  -9.366  -6.725   2.332
  358   2HB   PHE  50          1HB       PHE  50  -8.011  -6.557   1.219
  359    HD1  PHE  50           1HD      PHE  50  -6.107  -5.195   1.775
  360    HD2  PHE  50           2HD      PHE  50  -9.422  -5.499   4.427
  361    HE1  PHE  50           1HE      PHE  50  -4.755  -4.197   3.571
  362    HE2  PHE  50           2HE      PHE  50  -8.075  -4.500   6.229
  363    HZ   PHE  50           HZ       PHE  50  -5.739  -3.848   5.802
  364    H    TYR  51           H        TYR  51  -7.541  -4.311  -0.431
  365    HA   TYR  51           HA       TYR  51  -8.262  -5.971  -2.679
  366   1HB   TYR  51          2HB       TYR  51  -8.847  -3.076  -2.616
  367   2HB   TYR  51          1HB       TYR  51  -8.026  -3.645  -4.065
  368    HD1  TYR  51           1HD      TYR  51 -11.048  -2.672  -3.220
  369    HD2  TYR  51           2HD      TYR  51  -9.191  -6.284  -4.486
  370    HE1  TYR  51           1HE      TYR  51 -13.199  -3.454  -4.123
  371    HE2  TYR  51           2HE      TYR  51 -11.335  -7.076  -5.393
  372    HH   TYR  51           HH       TYR  51 -14.025  -6.327  -4.679
  373    H    ASN  52           H        ASN  52  -6.513  -6.501  -3.876
  374    HA   ASN  52           HA       ASN  52  -3.939  -5.973  -2.922
  375   1HB   ASN  52          2HB       ASN  52  -4.827  -7.861  -4.500
  376   2HB   ASN  52          1HB       ASN  52  -4.404  -6.732  -5.785
  377   1HD2  ASN  52          1HD2      ASN  52  -3.068  -8.859  -6.068
  378   2HD2  ASN  52          2HD2      ASN  52  -1.460  -8.780  -5.442
  379    H    SER  53           H        SER  53  -2.412  -4.475  -3.401
  380    HA   SER  53           HA       SER  53  -3.109  -1.975  -4.361
  381   1HB   SER  53          2HB       SER  53  -1.027  -2.662  -3.027
  382   2HB   SER  53          1HB       SER  53  -0.307  -3.072  -4.583
  383    HG   SER  53           HG       SER  53  -0.859  -0.854  -5.202
  384    H    LYS  54           H        LYS  54  -2.011  -4.796  -6.096
  385    HA   LYS  54           HA       LYS  54  -1.511  -3.402  -8.555
  386   1HB   LYS  54          2HB       LYS  54  -1.119  -6.052  -7.525
  387   2HB   LYS  54          1HB       LYS  54  -1.941  -6.150  -9.076
  388   1HG   LYS  54          2HG       LYS  54  -0.110  -4.514  -9.882
  389   2HG   LYS  54          1HG       LYS  54   0.758  -5.038  -8.438
  390   1HD   LYS  54          2HD       LYS  54  -0.333  -7.298  -9.865
  391   2HD   LYS  54          1HD       LYS  54   0.679  -6.314 -10.924
  392   1HE   LYS  54          2HE       LYS  54   2.578  -6.734  -9.730
  393   2HE   LYS  54          1HE       LYS  54   1.709  -6.924  -8.207
  394   1HZ   LYS  54          1HZ       LYS  54   1.899  -8.893 -10.419
  395   2HZ   LYS  54          2HZ       LYS  54   0.861  -9.069  -9.095
  396   3HZ   LYS  54          3HZ       LYS  54   2.536  -9.040  -8.858
  397    H    ARG  55           H        ARG  55  -4.320  -4.200  -6.952
  398    HA   ARG  55           HA       ARG  55  -5.838  -4.475  -9.451
  399   1HB   ARG  55          2HB       ARG  55  -5.989  -5.918  -7.054
  400   2HB   ARG  55          1HB       ARG  55  -7.418  -4.896  -7.068
  401   1HG   ARG  55          2HG       ARG  55  -6.591  -6.833  -9.218
  402   2HG   ARG  55          1HG       ARG  55  -7.905  -7.043  -8.060
  403   1HD   ARG  55          2HD       ARG  55  -9.215  -5.399  -9.062
  404   2HD   ARG  55          1HD       ARG  55  -7.837  -4.669  -9.883
  405    HE   ARG  55           HE       ARG  55  -8.253  -7.317 -10.795
  406   1HH1  ARG  55          1HH1      ARG  55  -9.562  -4.092 -11.047
  407   2HH1  ARG  55          2HH1      ARG  55 -10.231  -4.352 -12.623
  408   1HH2  ARG  55          1HH2      ARG  55  -9.131  -7.661 -12.867
  409   2HH2  ARG  55          2HH2      ARG  55  -9.988  -6.378 -13.657
  410    H    ILE  56           H        ILE  56  -4.901  -2.158  -7.345
  411    HA   ILE  56           HA       ILE  56  -7.421  -0.661  -7.505
  412    HB   ILE  56           HB       ILE  56  -4.980  -0.121  -5.818
  413   1HG1  ILE  56          2HG1      ILE  56  -7.697  -1.253  -5.132
  414   2HG1  ILE  56          1HG1      ILE  56  -6.150  -2.089  -5.037
  415   1HG2  ILE  56          1HG2      ILE  56  -6.373   1.566  -4.703
  416   2HG2  ILE  56          2HG2      ILE  56  -7.668   1.251  -5.859
  417   3HG2  ILE  56          3HG2      ILE  56  -6.140   1.937  -6.411
  418   1HD1  ILE  56          1HD1      ILE  56  -5.748   0.096  -3.442
  419   2HD1  ILE  56          2HD1      ILE  56  -6.180  -1.523  -2.891
  420   3HD1  ILE  56          3HD1      ILE  56  -7.436  -0.310  -3.136
  421    H    ASP  57           H        ASP  57  -7.417   1.489  -8.281
  422    HA   ASP  57           HA       ASP  57  -5.100   2.149  -9.978
  423   1HB   ASP  57          2HB       ASP  57  -7.343   1.499 -11.087
  424   2HB   ASP  57          1HB       ASP  57  -7.903   3.078 -10.548
  425    H    PHE  58           H        PHE  58  -4.165   3.367  -8.261
  426    HA   PHE  58           HA       PHE  58  -5.439   5.428  -6.868
  427   1HB   PHE  58          2HB       PHE  58  -2.526   5.471  -7.633
  428   2HB   PHE  58          1HB       PHE  58  -3.279   6.142  -6.191
  429    HD1  PHE  58           1HD      PHE  58  -1.745   3.261  -7.685
  430    HD2  PHE  58           2HD      PHE  58  -4.179   4.576  -4.451
  431    HE1  PHE  58           1HE      PHE  58  -1.235   1.188  -6.462
  432    HE2  PHE  58           2HE      PHE  58  -3.673   2.505  -3.223
  433    HZ   PHE  58           HZ       PHE  58  -2.196   0.807  -4.228
  434    H    ASP  59           H        ASP  59  -4.208   5.289 -10.090
  435    HA   ASP  59           HA       ASP  59  -3.760   7.984 -10.632
  436   1HB   ASP  59          2HB       ASP  59  -3.325   5.908 -12.106
  437   2HB   ASP  59          1HB       ASP  59  -4.986   6.122 -12.652
  438    H    LEU  60           H        LEU  60  -6.720   6.300 -10.104
  439    HA   LEU  60           HA       LEU  60  -8.294   8.449 -11.267
  440   1HB   LEU  60          2HB       LEU  60  -9.472   6.059  -9.912
  441   2HB   LEU  60          1HB       LEU  60 -10.142   7.033 -11.206
  442    HG   LEU  60           HG       LEU  60  -7.921   5.005 -11.437
  443   1HD1  LEU  60          1HD1      LEU  60 -10.045   3.939 -11.324
  444   2HD1  LEU  60          2HD1      LEU  60  -9.552   3.951 -13.017
  445   3HD1  LEU  60          3HD1      LEU  60 -10.757   5.103 -12.442
  446   1HD2  LEU  60          1HD2      LEU  60  -7.224   6.513 -13.007
  447   2HD2  LEU  60          2HD2      LEU  60  -8.845   7.153 -13.276
  448   3HD2  LEU  60          3HD2      LEU  60  -8.386   5.595 -13.962
  449    H    TYR  61           H        TYR  61  -6.690   8.822  -8.850
  450    HA   TYR  61           HA       TYR  61  -8.842   9.780  -7.112
  451   1HB   TYR  61          2HB       TYR  61  -6.470   8.134  -6.222
  452   2HB   TYR  61          1HB       TYR  61  -7.467   9.073  -5.117
  453    HD1  TYR  61           1HD      TYR  61  -6.894   5.926  -5.575
  454    HD2  TYR  61           2HD      TYR  61 -10.164   8.557  -6.275
  455    HE1  TYR  61           1HE      TYR  61  -8.451   4.033  -5.385
  456    HE2  TYR  61           2HE      TYR  61 -11.729   6.671  -6.087
  457    HH   TYR  61           HH       TYR  61 -11.282   3.860  -6.497
  458    H    THR  62           H        THR  62  -5.316   9.756  -7.612
  459    HA   THR  62           HA       THR  62  -5.184  12.512  -6.630
  460    HB   THR  62           HB       THR  62  -3.589  10.894  -5.687
  461    HG1  THR  62           1HG      THR  62  -2.322  12.792  -7.369
  462   1HG2  THR  62          1HG2      THR  62  -1.769  10.705  -7.883
  463   2HG2  THR  62          2HG2      THR  62  -3.316   9.979  -8.316
  464   3HG2  THR  62          3HG2      THR  62  -2.453   9.426  -6.881
  465   1H    SER  63          1HT       SER  63  13.923  14.579  -4.931
  466   2H    SER  63          2HT       SER  63  15.174  13.600  -4.281
  467   3H    SER  63          3HT       SER  63  13.661  13.709  -3.477
  468    HA   SER  63           HA       SER  63  12.573  12.503  -5.072
  469   1HB   SER  63          2HB       SER  63  13.996  11.824  -7.166
  470   2HB   SER  63          1HB       SER  63  13.260  13.425  -7.102
  471    HG   SER  63           HG       SER  63  15.540  13.349  -7.715
  472    H    HIS  64           H        HIS  64  14.275  11.937  -2.804
  473    HA   HIS  64           HA       HIS  64  15.546   9.405  -3.562
  474   1HB   HIS  64          2HB       HIS  64  15.680  10.485  -0.780
  475   2HB   HIS  64          1HB       HIS  64  16.881   9.570  -1.683
  476    HD1  HIS  64           1HD      HIS  64  17.840  11.103  -3.860
  477    HD2  HIS  64           2HD      HIS  64  16.407  13.061  -0.487
  478    HE1  HIS  64           1HE      HIS  64  18.829  13.414  -3.953
  479    HE2  HIS  64           2HE      HIS  64  18.001  14.560  -1.867
  480    H    ARG  65           H        ARG  65  13.743   8.089  -3.801
  481    HA   ARG  65           HA       ARG  65  11.606   7.931  -1.986
  482   1HB   ARG  65          2HB       ARG  65  11.354   7.049  -4.199
  483   2HB   ARG  65          1HB       ARG  65  12.686   5.928  -3.961
  484   1HG   ARG  65          2HG       ARG  65  11.346   4.774  -2.230
  485   2HG   ARG  65          1HG       ARG  65   9.999   5.850  -2.608
  486   1HD   ARG  65          2HD       ARG  65   9.953   3.583  -3.721
  487   2HD   ARG  65          1HD       ARG  65   9.785   4.972  -4.792
  488    HE   ARG  65           HE       ARG  65  12.027   3.131  -4.643
  489   1HH1  ARG  65          1HH1      ARG  65  10.790   6.152  -5.891
  490   2HH1  ARG  65          2HH1      ARG  65  11.945   6.234  -7.176
  491   1HH2  ARG  65          1HH2      ARG  65  13.545   3.244  -6.334
  492   2HH2  ARG  65          2HH2      ARG  65  13.508   4.586  -7.428
  493    HA   PRO  66           HA       PRO  66  13.612   5.612   1.234
  494   1HB   PRO  66          2HB       PRO  66  11.545   5.536   2.944
  495   2HB   PRO  66          1HB       PRO  66  12.434   7.025   2.614
  496   1HG   PRO  66          2HG       PRO  66   9.743   6.188   1.699
  497   2HG   PRO  66          1HG       PRO  66  10.376   7.812   1.998
  498   1HD   PRO  66          2HD       PRO  66  10.106   6.523  -0.513
  499   2HD   PRO  66          1HD       PRO  66  10.931   8.056  -0.182
  500    HA   PRO  67           HA       PRO  67  12.187   1.425   0.972
  501   1HB   PRO  67          2HB       PRO  67  13.026   0.379   3.278
  502   2HB   PRO  67          1HB       PRO  67  14.171   1.035   2.102
  503   1HG   PRO  67          2HG       PRO  67  13.198   2.211   4.658
  504   2HG   PRO  67          1HG       PRO  67  14.795   2.328   3.902
  505   1HD   PRO  67          2HD       PRO  67  12.749   4.255   3.790
  506   2HD   PRO  67          1HD       PRO  67  14.210   4.216   2.788
  507    HA   PRO  68           HA       PRO  68   8.038   1.458   2.745
  508   1HB   PRO  68          2HB       PRO  68   8.030  -1.302   1.652
  509   2HB   PRO  68          1HB       PRO  68   6.884   0.017   1.389
  510   1HG   PRO  68          2HG       PRO  68   8.607  -0.694  -0.516
  511   2HG   PRO  68          1HG       PRO  68   8.196   1.009  -0.242
  512   1HD   PRO  68          2HD       PRO  68  10.650  -0.503   0.559
  513   2HD   PRO  68          1HD       PRO  68  10.496   1.160  -0.047
  514    HA   PRO  69           HA       PRO  69   8.773  -0.592   6.620
  515   1HB   PRO  69          2HB       PRO  69   6.119  -0.975   7.315
  516   2HB   PRO  69          1HB       PRO  69   7.047   0.489   7.629
  517   1HG   PRO  69          2HG       PRO  69   5.089  -0.089   5.463
  518   2HG   PRO  69          1HG       PRO  69   5.398   1.425   6.327
  519   1HD   PRO  69          2HD       PRO  69   6.276   0.981   3.812
  520   2HD   PRO  69          1HD       PRO  69   7.178   1.980   4.968
  521    H    GLY  70           H        GLY  70   7.698  -2.533   7.850
  522   1HA   GLY  70          2HA       GLY  70   7.024  -4.748   7.872
  523   2HA   GLY  70          1HA       GLY  70   6.685  -4.634   6.154
  524    H    HIS  71           H        HIS  71   8.521  -4.721   4.677
  525    HA   HIS  71           HA       HIS  71  10.214  -5.994   3.832
  526   1HB   HIS  71          2HB       HIS  71  12.357  -5.364   4.628
  527   2HB   HIS  71          1HB       HIS  71  11.314  -3.988   4.916
  528    HD1  HIS  71           1HD      HIS  71  12.647  -3.022   6.750
  529    HD2  HIS  71           2HD      HIS  71  11.606  -6.951   7.527
  530    HE1  HIS  71           1HE      HIS  71  13.261  -3.407   9.159
  531    HE2  HIS  71           2HE      HIS  71  12.688  -5.824   9.582
  532    H    ARG  72           H        ARG  72  12.323  -7.362   4.935
  533    HA   ARG  72           HA       ARG  72  11.805  -9.039   7.068
  534   1HB   ARG  72          2HB       ARG  72  11.147 -11.143   5.854
  535   2HB   ARG  72          1HB       ARG  72   9.887  -9.919   5.947
  536   1HG   ARG  72          2HG       ARG  72  11.066  -9.283   3.587
  537   2HG   ARG  72          1HG       ARG  72  11.268 -11.035   3.618
  538   1HD   ARG  72          2HD       ARG  72   8.740  -9.424   3.670
  539   2HD   ARG  72          1HD       ARG  72   9.205 -10.717   2.567
  540    HE   ARG  72           HE       ARG  72   7.866 -11.002   5.058
  541   1HH1  ARG  72          1HH1      ARG  72  10.180 -12.559   2.959
  542   2HH1  ARG  72          2HH1      ARG  72   9.831 -14.149   3.548
  543   1HH2  ARG  72          1HH2      ARG  72   7.407 -13.092   5.834
  544   2HH2  ARG  72          2HH2      ARG  72   8.258 -14.452   5.180
  545    H    VAL  73           H        VAL  73  13.967  -9.006   7.419
  546    HA   VAL  73           HA       VAL  73  15.932  -9.407   5.420
  547    HB   VAL  73           HB       VAL  73  17.487  -9.766   7.363
  548   1HG1  VAL  73          1HG1      VAL  73  16.978  -7.540   6.375
  549   2HG1  VAL  73          2HG1      VAL  73  17.430  -7.476   8.079
  550   3HG1  VAL  73          3HG1      VAL  73  15.737  -7.324   7.610
  551   1HG2  VAL  73          1HG2      VAL  73  15.383  -8.890   9.245
  552   2HG2  VAL  73          2HG2      VAL  73  16.781  -9.934   9.508
  553   3HG2  VAL  73          3HG2      VAL  73  15.332 -10.578   8.736
  Start of MODEL    9
    1   1H    ASP   1          1HT       ASP   1  -4.254  15.025  -1.450
    2   2H    ASP   1          2HT       ASP   1  -5.400  14.238  -0.444
    3   3H    ASP   1          3HT       ASP   1  -5.053  13.614  -2.006
    4    HA   ASP   1           HA       ASP   1  -2.929  12.968  -1.399
    5   1HB   ASP   1          2HB       ASP   1  -3.479  14.801   0.898
    6   2HB   ASP   1          1HB       ASP   1  -2.360  13.463   1.144
    7    H    VAL   2           H        VAL   2  -5.273  11.629  -1.531
    8    HA   VAL   2           HA       VAL   2  -6.180  10.383   0.806
    9    HB   VAL   2           HB       VAL   2  -6.119   9.150  -1.950
   10   1HG1  VAL   2          1HG1      VAL   2  -7.724   8.626   0.533
   11   2HG1  VAL   2          2HG1      VAL   2  -6.766   7.495  -0.423
   12   3HG1  VAL   2          3HG1      VAL   2  -8.283   8.125  -1.063
   13   1HG2  VAL   2          1HG2      VAL   2  -7.881  11.248  -0.757
   14   2HG2  VAL   2          2HG2      VAL   2  -8.531  10.122  -1.948
   15   3HG2  VAL   2          3HG2      VAL   2  -7.172  11.163  -2.369
   16    H    MET   3           H        MET   3  -5.095   9.130   2.168
   17    HA   MET   3           HA       MET   3  -2.639   7.830   1.375
   18   1HB   MET   3          2HB       MET   3  -4.115   7.724   4.011
   19   2HB   MET   3          1HB       MET   3  -2.468   7.179   3.723
   20   1HG   MET   3          2HG       MET   3  -1.818   9.480   3.177
   21   2HG   MET   3          1HG       MET   3  -3.463  10.012   3.517
   22   1HE   MET   3          1HE       MET   3  -0.440  10.799   6.232
   23   2HE   MET   3          2HE       MET   3  -1.743  11.790   5.577
   24   3HE   MET   3          3HE       MET   3  -0.676  10.904   4.487
   25    H    TRP   4           H        TRP   4  -2.236   5.540   1.692
   26    HA   TRP   4           HA       TRP   4  -4.615   3.837   1.734
   27   1HB   TRP   4          2HB       TRP   4  -2.601   3.898  -0.510
   28   2HB   TRP   4          1HB       TRP   4  -3.728   2.570  -0.252
   29    HD1  TRP   4           HD       TRP   4  -3.865   6.394  -0.883
   30    HE1  TRP   4           1HE      TRP   4  -5.981   6.889  -2.264
   31    HE3  TRP   4           3HE      TRP   4  -5.829   1.683  -1.066
   32    HZ2  TRP   4           2HZ      TRP   4  -8.190   5.465  -3.295
   33    HZ3  TRP   4           3HZ      TRP   4  -7.945   1.332  -2.269
   34    HH2  TRP   4           HH       TRP   4  -9.099   3.183  -3.362
   35    H    GLU   5           H        GLU   5  -4.268   2.360   3.234
   36    HA   GLU   5           HA       GLU   5  -1.658   1.675   4.171
   37   1HB   GLU   5          2HB       GLU   5  -2.979  -0.144   5.435
   38   2HB   GLU   5          1HB       GLU   5  -3.299   1.536   5.836
   39   1HG   GLU   5          2HG       GLU   5  -5.332   1.523   4.600
   40   2HG   GLU   5          1HG       GLU   5  -4.967  -0.057   3.909
   41    H    TYR   6           H        TYR   6  -0.869  -0.611   4.254
   42    HA   TYR   6           HA       TYR   6  -1.821  -2.358   2.154
   43   1HB   TYR   6          2HB       TYR   6   0.100  -2.393   0.811
   44   2HB   TYR   6          1HB       TYR   6  -0.177  -0.684   1.118
   45    HD1  TYR   6           1HD      TYR   6   1.489   0.640   2.139
   46    HD2  TYR   6           2HD      TYR   6   1.871  -3.596   2.159
   47    HE1  TYR   6           1HE      TYR   6   3.791   0.855   2.976
   48    HE2  TYR   6           2HE      TYR   6   4.172  -3.392   2.999
   49    HH   TYR   6           HH       TYR   6   5.568  -1.804   4.179
   50    H    LYS   7           H        LYS   7  -1.480  -4.451   2.582
   51    HA   LYS   7           HA       LYS   7   0.371  -5.133   4.764
   52   1HB   LYS   7          2HB       LYS   7  -1.928  -5.311   5.567
   53   2HB   LYS   7          1HB       LYS   7  -2.347  -6.338   4.204
   54   1HG   LYS   7          2HG       LYS   7  -0.496  -7.896   5.114
   55   2HG   LYS   7          1HG       LYS   7  -0.693  -6.973   6.606
   56   1HD   LYS   7          2HD       LYS   7  -3.026  -8.210   5.171
   57   2HD   LYS   7          1HD       LYS   7  -2.076  -9.106   6.358
   58   1HE   LYS   7          2HE       LYS   7  -3.669  -8.268   7.748
   59   2HE   LYS   7          1HE       LYS   7  -2.531  -6.921   7.798
   60   1HZ   LYS   7          1HZ       LYS   7  -4.570  -6.891   5.704
   61   2HZ   LYS   7          2HZ       LYS   7  -3.889  -5.606   6.569
   62   3HZ   LYS   7          3HZ       LYS   7  -5.078  -6.573   7.286
   63    H    TRP   8           H        TRP   8   1.847  -6.637   4.275
   64    HA   TRP   8           HA       TRP   8   2.150  -7.600   1.658
   65   1HB   TRP   8          2HB       TRP   8   3.405  -8.591   4.225
   66   2HB   TRP   8          1HB       TRP   8   3.947  -9.020   2.607
   67    HD1  TRP   8           HD       TRP   8   4.420  -6.455   5.263
   68    HE1  TRP   8           1HE      TRP   8   5.936  -4.561   4.404
   69    HE3  TRP   8           3HE      TRP   8   4.434  -7.614   0.282
   70    HZ2  TRP   8           2HZ      TRP   8   6.998  -3.675   1.948
   71    HZ3  TRP   8           3HZ      TRP   8   5.726  -6.191  -1.254
   72    HH2  TRP   8           HH       TRP   8   6.981  -4.262  -0.435
   73    H    GLU   9           H        GLU   9   1.258  -9.376   4.619
   74    HA   GLU   9           HA       GLU   9   0.510 -11.701   3.070
   75   1HB   GLU   9          2HB       GLU   9   0.190 -11.159   6.026
   76   2HB   GLU   9          1HB       GLU   9  -0.025 -12.714   5.234
   77   1HG   GLU   9          2HG       GLU   9   2.498 -12.001   4.451
   78   2HG   GLU   9          1HG       GLU   9   2.410 -11.364   6.093
   79    H    ASN  10           H        ASN  10  -1.644 -12.750   3.524
   80    HA   ASN  10           HA       ASN  10  -3.744 -10.701   3.340
   81   1HB   ASN  10          2HB       ASN  10  -4.109 -13.569   2.516
   82   2HB   ASN  10          1HB       ASN  10  -4.981 -12.142   1.963
   83   1HD2  ASN  10          1HD2      ASN  10  -2.901 -10.459   1.340
   84   2HD2  ASN  10          2HD2      ASN  10  -2.014 -11.112   0.010
   85    H    THR  11           H        THR  11  -2.766 -11.440   5.870
   86    HA   THR  11           HA       THR  11  -4.908 -13.124   6.965
   87    HB   THR  11           HB       THR  11  -3.522 -13.718   8.713
   88    HG1  THR  11           1HG      THR  11  -1.720 -12.446   9.347
   89   1HG2  THR  11          1HG2      THR  11  -2.457 -14.611   6.767
   90   2HG2  THR  11          2HG2      THR  11  -1.224 -14.082   7.913
   91   3HG2  THR  11          3HG2      THR  11  -1.594 -13.096   6.497
   92    H    GLY  12           H        GLY  12  -5.054 -12.354   9.521
   93   1HA   GLY  12          2HA       GLY  12  -6.070  -9.596   9.311
   94   2HA   GLY  12          1HA       GLY  12  -6.672 -10.813  10.428
   95    H    ASP  13           H        ASP  13  -3.578 -11.418  10.690
   96    HA   ASP  13           HA       ASP  13  -3.188  -9.467  12.850
   97   1HB   ASP  13          2HB       ASP  13  -2.058 -12.242  12.456
   98   2HB   ASP  13          1HB       ASP  13  -1.561 -11.153  13.749
   99    H    ALA  14           H        ALA  14  -1.935 -10.565   9.832
  100    HA   ALA  14           HA       ALA  14   0.736 -10.073   9.868
  101   1HB   ALA  14          1HB       ALA  14  -0.554  -8.800   7.571
  102   2HB   ALA  14          2HB       ALA  14  -1.121 -10.437   7.900
  103   3HB   ALA  14          3HB       ALA  14   0.596 -10.135   7.634
  104    H    GLU  15           H        GLU  15   2.107  -8.297   9.609
  105    HA   GLU  15           HA       GLU  15   1.422  -5.962  10.992
  106   1HB   GLU  15          2HB       GLU  15   3.628  -6.013   8.959
  107   2HB   GLU  15          1HB       GLU  15   3.571  -5.174  10.501
  108   1HG   GLU  15          2HG       GLU  15   3.420  -7.704  11.369
  109   2HG   GLU  15          1HG       GLU  15   4.330  -7.953   9.881
  110    H    LEU  16           H        LEU  16   0.644  -4.037  10.372
  111    HA   LEU  16           HA       LEU  16  -0.093  -3.754   7.538
  112   1HB   LEU  16          2HB       LEU  16  -1.509  -3.166  10.053
  113   2HB   LEU  16          1HB       LEU  16  -1.678  -1.954   8.797
  114    HG   LEU  16           HG       LEU  16  -2.139  -4.311   7.438
  115   1HD1  LEU  16          1HD1      LEU  16  -2.219  -5.616   9.452
  116   2HD1  LEU  16          2HD1      LEU  16  -3.850  -5.464   8.799
  117   3HD1  LEU  16          3HD1      LEU  16  -3.359  -4.488  10.185
  118   1HD2  LEU  16          1HD2      LEU  16  -3.814  -2.128   8.558
  119   2HD2  LEU  16          2HD2      LEU  16  -4.626  -3.542   7.886
  120   3HD2  LEU  16          3HD2      LEU  16  -3.530  -2.593   6.880
  121    H    TYR  17           H        TYR  17   0.139  -1.801   6.503
  122    HA   TYR  17           HA       TYR  17   1.339   0.461   7.836
  123   1HB   TYR  17          2HB       TYR  17   2.843  -0.989   5.645
  124   2HB   TYR  17          1HB       TYR  17   3.330   0.514   6.415
  125    HD1  TYR  17           1HD      TYR  17   3.680   0.412   8.995
  126    HD2  TYR  17           2HD      TYR  17   3.661  -3.000   6.454
  127    HE1  TYR  17           1HE      TYR  17   4.948  -0.843  10.683
  128    HE2  TYR  17           2HE      TYR  17   4.927  -4.267   8.137
  129    HH   TYR  17           HH       TYR  17   6.662  -3.182  10.339
  130    H    GLY  18           H        GLY  18   2.293   1.705   5.475
  131   1HA   GLY  18          2HA       GLY  18   1.609   2.569   3.429
  132   2HA   GLY  18          1HA       GLY  18   0.127   1.654   3.568
  133    HA   PRO  19           HA       PRO  19  -1.268   5.361   5.994
  134   1HB   PRO  19          2HB       PRO  19   0.259   6.589   7.818
  135   2HB   PRO  19          1HB       PRO  19  -0.483   5.020   8.154
  136   1HG   PRO  19          2HG       PRO  19   2.326   5.651   7.338
  137   2HG   PRO  19          1HG       PRO  19   1.746   4.505   8.561
  138   1HD   PRO  19          2HD       PRO  19   2.503   3.789   6.019
  139   2HD   PRO  19          1HD       PRO  19   1.359   2.868   7.014
  140    H    PHE  20           H        PHE  20   1.019   5.429   3.855
  141    HA   PHE  20           HA       PHE  20   1.712   8.245   3.855
  142   1HB   PHE  20          2HB       PHE  20   2.430   6.419   1.610
  143   2HB   PHE  20          1HB       PHE  20   3.366   7.718   2.342
  144    HD1  PHE  20           1HD      PHE  20   4.746   7.322   4.274
  145    HD2  PHE  20           2HD      PHE  20   2.389   4.199   2.602
  146    HE1  PHE  20           1HE      PHE  20   6.002   5.667   5.597
  147    HE2  PHE  20           2HE      PHE  20   3.640   2.540   3.922
  148    HZ   PHE  20           HZ       PHE  20   5.446   3.279   5.422
  149    H    THR  21           H        THR  21   1.496   9.428   1.748
  150    HA   THR  21           HA       THR  21  -1.231   9.487   0.971
  151    HB   THR  21           HB       THR  21  -0.475  11.200  -0.673
  152    HG1  THR  21           1HG      THR  21   1.572  11.460  -1.096
  153   1HG2  THR  21          1HG2      THR  21  -0.292  12.820   0.864
  154   2HG2  THR  21          2HG2      THR  21   1.018  12.008   1.722
  155   3HG2  THR  21          3HG2      THR  21  -0.654  11.515   1.993
  156    H    SER  22           H        SER  22  -2.188   9.018  -1.025
  157    HA   SER  22           HA       SER  22  -1.589   6.629  -2.231
  158   1HB   SER  22          2HB       SER  22  -2.861   7.625  -4.260
  159   2HB   SER  22          1HB       SER  22  -3.713   7.509  -2.720
  160    HG   SER  22           HG       SER  22  -2.382   9.829  -3.671
  161    H    ALA  23           H        ALA  23  -0.228   9.765  -2.830
  162    HA   ALA  23           HA       ALA  23   1.007   9.272  -5.312
  163   1HB   ALA  23          1HB       ALA  23   0.682  11.457  -3.800
  164   2HB   ALA  23          2HB       ALA  23   1.908  11.343  -5.062
  165   3HB   ALA  23          3HB       ALA  23   2.350  11.067  -3.378
  166    H    GLN  24           H        GLN  24   2.177   8.990  -1.971
  167    HA   GLN  24           HA       GLN  24   4.749   8.016  -2.704
  168   1HB   GLN  24          2HB       GLN  24   3.940   9.123  -0.480
  169   2HB   GLN  24          1HB       GLN  24   3.499   7.481  -0.033
  170   1HG   GLN  24          2HG       GLN  24   5.720   8.169   0.791
  171   2HG   GLN  24          1HG       GLN  24   5.764   6.745  -0.246
  172   1HE2  GLN  24          1HE2      GLN  24   7.679   6.822  -1.206
  173   2HE2  GLN  24          2HE2      GLN  24   8.307   8.169  -2.087
  174    H    MET  25           H        MET  25   1.674   6.560  -1.974
  175    HA   MET  25           HA       MET  25   2.645   3.883  -1.743
  176   1HB   MET  25          2HB       MET  25  -0.070   5.127  -2.041
  177   2HB   MET  25          1HB       MET  25   0.122   3.389  -2.223
  178   1HG   MET  25          2HG       MET  25   0.829   5.021   0.204
  179   2HG   MET  25          1HG       MET  25  -0.552   3.941   0.028
  180   1HE   MET  25          1HE       MET  25   1.288   0.491  -0.436
  181   2HE   MET  25          2HE       MET  25   1.564   1.618  -1.765
  182   3HE   MET  25          3HE       MET  25  -0.034   1.500  -1.026
  183    H    GLN  26           H        GLN  26   1.082   5.758  -4.311
  184    HA   GLN  26           HA       GLN  26   0.913   3.762  -6.247
  185   1HB   GLN  26          2HB       GLN  26  -0.225   5.850  -6.576
  186   2HB   GLN  26          1HB       GLN  26   1.283   6.749  -6.506
  187   1HG   GLN  26          2HG       GLN  26   0.597   6.656  -8.773
  188   2HG   GLN  26          1HG       GLN  26   1.991   5.593  -8.592
  189   1HE2  GLN  26          1HE2      GLN  26   1.411   3.265  -8.143
  190   2HE2  GLN  26          2HE2      GLN  26   0.098   2.602  -9.048
  191    H    THR  27           H        THR  27   3.590   5.869  -5.345
  192    HA   THR  27           HA       THR  27   5.305   5.229  -7.483
  193    HB   THR  27           HB       THR  27   6.066   6.016  -4.664
  194    HG1  THR  27           1HG      THR  27   5.486   7.608  -6.936
  195   1HG2  THR  27          1HG2      THR  27   8.166   5.967  -5.339
  196   2HG2  THR  27          2HG2      THR  27   7.775   7.170  -6.569
  197   3HG2  THR  27          3HG2      THR  27   7.669   5.451  -6.951
  198    H    TRP  28           H        TRP  28   5.398   4.037  -4.118
  199    HA   TRP  28           HA       TRP  28   7.304   2.059  -4.464
  200   1HB   TRP  28          2HB       TRP  28   5.017   2.405  -2.556
  201   2HB   TRP  28          1HB       TRP  28   5.973   0.929  -2.519
  202    HD1  TRP  28           HD       TRP  28   8.864   2.140  -2.924
  203    HE1  TRP  28           1HE      TRP  28   9.937   3.551  -1.057
  204    HE3  TRP  28           3HE      TRP  28   4.630   3.516  -0.412
  205    HZ2  TRP  28           2HZ      TRP  28   9.098   5.049   1.184
  206    HZ3  TRP  28           3HZ      TRP  28   4.851   4.941   1.582
  207    HH2  TRP  28           HH       TRP  28   7.040   5.688   2.363
  208    H    VAL  29           H        VAL  29   3.814   1.920  -4.959
  209    HA   VAL  29           HA       VAL  29   3.687  -0.863  -5.498
  210    HB   VAL  29           HB       VAL  29   1.779   1.337  -6.310
  211   1HG1  VAL  29          1HG1      VAL  29   0.223  -0.823  -6.102
  212   2HG1  VAL  29          2HG1      VAL  29   1.716  -1.602  -6.624
  213   3HG1  VAL  29          3HG1      VAL  29   0.989  -0.337  -7.614
  214   1HG2  VAL  29          1HG2      VAL  29   0.697   1.093  -4.300
  215   2HG2  VAL  29          2HG2      VAL  29   2.368   0.829  -3.805
  216   3HG2  VAL  29          3HG2      VAL  29   1.295  -0.548  -4.053
  217    H    SER  30           H        SER  30   4.240   1.975  -7.481
  218    HA   SER  30           HA       SER  30   4.108   0.431  -9.942
  219   1HB   SER  30          2HB       SER  30   3.339   2.916  -9.551
  220   2HB   SER  30          1HB       SER  30   5.040   3.275  -9.846
  221    HG   SER  30           HG       SER  30   4.745   1.965 -11.816
  222    H    GLU  31           H        GLU  31   6.503   1.852  -7.820
  223    HA   GLU  31           HA       GLU  31   8.732   1.828  -9.484
  224   1HB   GLU  31          2HB       GLU  31   8.389   2.625  -6.990
  225   2HB   GLU  31          1HB       GLU  31   9.032   1.032  -6.621
  226   1HG   GLU  31          2HG       GLU  31  10.784   2.706  -6.617
  227   2HG   GLU  31          1HG       GLU  31  11.038   1.531  -7.907
  228    H    GLY  32           H        GLY  32   7.401  -0.764  -7.462
  229   1HA   GLY  32          2HA       GLY  32   7.544  -2.998  -8.621
  230   2HA   GLY  32          1HA       GLY  32   9.252  -2.633  -8.807
  231    H    TYR  33           H        TYR  33   8.430  -1.378  -5.884
  232    HA   TYR  33           HA       TYR  33   9.913  -3.164  -4.373
  233   1HB   TYR  33          2HB       TYR  33   7.945  -1.022  -3.756
  234   2HB   TYR  33          1HB       TYR  33   8.330  -2.150  -2.461
  235    HD1  TYR  33           1HD      TYR  33   9.963   0.094  -4.950
  236    HD2  TYR  33           2HD      TYR  33  10.211  -1.786  -1.142
  237    HE1  TYR  33           1HE      TYR  33  12.010   1.365  -4.462
  238    HE2  TYR  33           2HE      TYR  33  12.258  -0.518  -0.643
  239    HH   TYR  33           HH       TYR  33  13.381   1.513  -1.335
  240    H    PHE  34           H        PHE  34   6.516  -3.212  -5.204
  241    HA   PHE  34           HA       PHE  34   6.152  -5.648  -3.601
  242   1HB   PHE  34          2HB       PHE  34   3.909  -4.162  -4.943
  243   2HB   PHE  34          1HB       PHE  34   3.847  -5.216  -3.538
  244    HD1  PHE  34           1HD      PHE  34   6.334  -3.824  -2.222
  245    HD2  PHE  34           2HD      PHE  34   2.668  -2.412  -3.856
  246    HE1  PHE  34           1HE      PHE  34   6.439  -1.858  -0.747
  247    HE2  PHE  34           2HE      PHE  34   2.766  -0.444  -2.385
  248    HZ   PHE  34           HZ       PHE  34   4.652  -0.164  -0.830
  249    HA   PRO  35           HA       PRO  35   6.746  -7.225  -7.924
  250   1HB   PRO  35          2HB       PRO  35   7.441  -9.738  -6.981
  251   2HB   PRO  35          1HB       PRO  35   8.582  -8.447  -7.369
  252   1HG   PRO  35          2HG       PRO  35   7.474  -9.268  -4.718
  253   2HG   PRO  35          1HG       PRO  35   9.119  -8.751  -5.137
  254   1HD   PRO  35          2HD       PRO  35   7.408  -7.097  -3.911
  255   2HD   PRO  35          1HD       PRO  35   8.544  -6.502  -5.140
  256    H    ASP  36           H        ASP  36   5.015  -8.480  -5.141
  257    HA   ASP  36           HA       ASP  36   3.144  -9.832  -6.961
  258   1HB   ASP  36          2HB       ASP  36   4.302 -11.382  -5.456
  259   2HB   ASP  36          1HB       ASP  36   3.769 -10.441  -4.067
  260    H    GLY  37           H        GLY  37   3.349  -6.982  -5.700
  261   1HA   GLY  37          2HA       GLY  37   1.755  -5.394  -5.213
  262   2HA   GLY  37          1HA       GLY  37   0.528  -6.637  -5.406
  263    H    VAL  38           H        VAL  38  -0.400  -5.412  -3.545
  264    HA   VAL  38           HA       VAL  38   0.178  -6.838  -1.119
  265    HB   VAL  38           HB       VAL  38   0.394  -4.651   0.206
  266   1HG1  VAL  38          1HG1      VAL  38   2.668  -4.927   0.316
  267   2HG1  VAL  38          2HG1      VAL  38   2.839  -5.121  -1.429
  268   3HG1  VAL  38          3HG1      VAL  38   2.195  -6.442  -0.454
  269   1HG2  VAL  38          1HG2      VAL  38   1.636  -2.877  -1.106
  270   2HG2  VAL  38          2HG2      VAL  38  -0.092  -3.015  -1.432
  271   3HG2  VAL  38          3HG2      VAL  38   1.075  -3.695  -2.565
  272    H    TYR  39           H        TYR  39  -1.355  -6.288   0.617
  273    HA   TYR  39           HA       TYR  39  -3.984  -5.937  -0.441
  274   1HB   TYR  39          2HB       TYR  39  -2.789  -6.914   1.979
  275   2HB   TYR  39          1HB       TYR  39  -4.034  -5.742   2.389
  276    HD1  TYR  39           1HD      TYR  39  -5.719  -7.121   3.273
  277    HD2  TYR  39           2HD      TYR  39  -4.004  -8.072  -0.501
  278    HE1  TYR  39           1HE      TYR  39  -7.445  -8.839   2.929
  279    HE2  TYR  39           2HE      TYR  39  -5.725  -9.792  -0.857
  280    HH   TYR  39           HH       TYR  39  -8.180 -10.155   0.050
  281    H    CYS  40           H        CYS  40  -3.790  -3.818  -1.350
  282    HA   CYS  40           HA       CYS  40  -3.366  -1.593   0.448
  283   1HB   CYS  40          2HB       CYS  40  -3.579  -1.955  -2.481
  284   2HB   CYS  40          1HB       CYS  40  -4.089  -0.395  -1.846
  285    HG   CYS  40           HG       CYS  40  -1.697   0.134  -2.019
  286    H    ARG  41           H        ARG  41  -4.837   0.068   0.843
  287    HA   ARG  41           HA       ARG  41  -7.466   0.222  -0.052
  288   1HB   ARG  41          2HB       ARG  41  -8.791  -0.831   1.543
  289   2HB   ARG  41          1HB       ARG  41  -7.491  -1.988   1.314
  290   1HG   ARG  41          2HG       ARG  41  -6.422  -1.253   3.349
  291   2HG   ARG  41          1HG       ARG  41  -7.628   0.017   3.558
  292   1HD   ARG  41          2HD       ARG  41  -7.879  -2.929   3.935
  293   2HD   ARG  41          1HD       ARG  41  -8.443  -1.613   4.962
  294    HE   ARG  41           HE       ARG  41  -9.905  -2.905   2.899
  295   1HH1  ARG  41          1HH1      ARG  41  -9.420   0.203   4.409
  296   2HH1  ARG  41          2HH1      ARG  41 -10.999   0.787   4.003
  297   1HH2  ARG  41          1HH2      ARG  41 -11.981  -2.139   2.362
  298   2HH2  ARG  41          2HH2      ARG  41 -12.452  -0.543   2.839
  299    H    LYS  42           H        LYS  42  -8.487   2.063   0.740
  300    HA   LYS  42           HA       LYS  42  -6.905   4.080   1.799
  301   1HB   LYS  42          2HB       LYS  42  -9.909   3.927   2.043
  302   2HB   LYS  42          1HB       LYS  42  -8.909   5.365   1.959
  303   1HG   LYS  42          2HG       LYS  42  -8.259   4.699  -0.353
  304   2HG   LYS  42          1HG       LYS  42  -9.450   3.402  -0.247
  305   1HD   LYS  42          2HD       LYS  42 -10.987   5.464   0.497
  306   2HD   LYS  42          1HD       LYS  42  -9.836   6.321  -0.530
  307   1HE   LYS  42          2HE       LYS  42 -10.713   5.465  -2.398
  308   2HE   LYS  42          1HE       LYS  42 -10.770   3.838  -1.721
  309   1HZ   LYS  42          1HZ       LYS  42 -12.902   4.079  -1.093
  310   2HZ   LYS  42          2HZ       LYS  42 -12.934   5.265  -2.299
  311   3HZ   LYS  42          3HZ       LYS  42 -12.729   5.711  -0.681
  312    H    LEU  43           H        LEU  43  -6.349   4.688   3.783
  313    HA   LEU  43           HA       LEU  43  -6.459   3.053   5.982
  314   1HB   LEU  43          2HB       LEU  43  -6.443   6.055   6.199
  315   2HB   LEU  43          1HB       LEU  43  -5.705   4.892   7.284
  316    HG   LEU  43           HG       LEU  43  -4.801   5.460   4.457
  317   1HD1  LEU  43          1HD1      LEU  43  -3.574   6.201   7.102
  318   2HD1  LEU  43          2HD1      LEU  43  -4.336   7.308   5.961
  319   3HD1  LEU  43          3HD1      LEU  43  -2.853   6.466   5.515
  320   1HD2  LEU  43          1HD2      LEU  43  -2.847   4.086   5.092
  321   2HD2  LEU  43          2HD2      LEU  43  -4.351   3.168   5.045
  322   3HD2  LEU  43          3HD2      LEU  43  -3.668   3.662   6.594
  323    H    ASP  44           H        ASP  44  -8.847   5.350   4.877
  324    HA   ASP  44           HA       ASP  44 -10.570   4.586   7.140
  325   1HB   ASP  44          2HB       ASP  44  -9.772   7.038   6.935
  326   2HB   ASP  44          1HB       ASP  44 -10.905   7.138   5.591
  327    HA   PRO  45           HA       PRO  45 -12.283   3.809   7.709
  328   1HB   PRO  45          2HB       PRO  45 -13.607   1.470   7.612
  329   2HB   PRO  45          1HB       PRO  45 -14.434   3.019   7.415
  330   1HG   PRO  45          2HG       PRO  45 -13.555   1.063   5.328
  331   2HG   PRO  45          1HG       PRO  45 -15.076   1.965   5.445
  332   1HD   PRO  45          2HD       PRO  45 -12.998   2.708   3.832
  333   2HD   PRO  45          1HD       PRO  45 -14.170   3.853   4.513
  334    HA   PRO  46           HA       PRO  46  -8.755   1.084   7.755
  335   1HB   PRO  46          2HB       PRO  46  -8.443   0.833  10.412
  336   2HB   PRO  46          1HB       PRO  46  -8.098   2.351   9.574
  337   1HG   PRO  46          2HG       PRO  46 -10.519   1.563  11.147
  338   2HG   PRO  46          1HG       PRO  46  -9.636   3.101  11.147
  339   1HD   PRO  46          2HD       PRO  46 -11.953   2.678   9.751
  340   2HD   PRO  46          1HD       PRO  46 -10.719   3.861   9.277
  341    H    GLY  47           H        GLY  47  -8.889  -1.004   7.220
  342   1HA   GLY  47          2HA       GLY  47  -9.127  -3.286   7.627
  343   2HA   GLY  47          1HA       GLY  47  -9.993  -2.907   9.108
  344    H    GLY  48           H        GLY  48 -10.250  -3.625   5.741
  345   1HA   GLY  48          2HA       GLY  48 -13.002  -4.348   6.024
  346   2HA   GLY  48          1HA       GLY  48 -12.815  -2.869   5.094
  347    H    GLN  49           H        GLN  49 -13.590  -3.774   3.195
  348    HA   GLN  49           HA       GLN  49 -12.617  -6.197   2.096
  349   1HB   GLN  49          2HB       GLN  49 -13.964  -3.855   0.742
  350   2HB   GLN  49          1HB       GLN  49 -13.703  -5.432   0.009
  351   1HG   GLN  49          2HG       GLN  49 -15.389  -6.397   1.150
  352   2HG   GLN  49          1HG       GLN  49 -15.116  -5.425   2.595
  353   1HE2  GLN  49          1HE2      GLN  49 -15.735  -4.447  -0.747
  354   2HE2  GLN  49          2HE2      GLN  49 -17.176  -3.558  -0.406
  355    H    PHE  50           H        PHE  50 -10.319  -5.725   2.500
  356    HA   PHE  50           HA       PHE  50  -8.746  -3.803   1.379
  357   1HB   PHE  50          2HB       PHE  50  -8.346  -6.608   2.172
  358   2HB   PHE  50          1HB       PHE  50  -7.171  -6.009   1.006
  359    HD1  PHE  50           1HD      PHE  50  -5.926  -3.862   1.572
  360    HD2  PHE  50           2HD      PHE  50  -8.151  -6.096   4.428
  361    HE1  PHE  50           1HE      PHE  50  -4.679  -2.770   3.392
  362    HE2  PHE  50           2HE      PHE  50  -6.911  -5.008   6.253
  363    HZ   PHE  50           HZ       PHE  50  -5.173  -3.343   5.736
  364    H    TYR  51           H        TYR  51  -7.210  -4.016  -0.494
  365    HA   TYR  51           HA       TYR  51  -8.207  -5.496  -2.780
  366   1HB   TYR  51          2HB       TYR  51  -8.365  -2.513  -2.546
  367   2HB   TYR  51          1HB       TYR  51  -8.058  -3.242  -4.119
  368    HD1  TYR  51           1HD      TYR  51  -9.759  -4.748  -5.132
  369    HD2  TYR  51           2HD      TYR  51 -10.528  -2.586  -1.549
  370    HE1  TYR  51           1HE      TYR  51 -12.170  -5.130  -5.424
  371    HE2  TYR  51           2HE      TYR  51 -12.940  -2.964  -1.830
  372    HH   TYR  51           HH       TYR  51 -14.224  -5.228  -3.835
  373    H    ASN  52           H        ASN  52  -6.566  -6.169  -4.018
  374    HA   ASN  52           HA       ASN  52  -3.906  -5.845  -3.297
  375   1HB   ASN  52          2HB       ASN  52  -4.819  -7.664  -4.750
  376   2HB   ASN  52          1HB       ASN  52  -4.913  -6.504  -6.072
  377   1HD2  ASN  52          1HD2      ASN  52  -2.474  -7.211  -3.593
  378   2HD2  ASN  52          2HD2      ASN  52  -1.170  -7.444  -4.702
  379    H    SER  53           H        SER  53  -2.407  -4.332  -3.641
  380    HA   SER  53           HA       SER  53  -2.989  -1.790  -4.565
  381   1HB   SER  53          2HB       SER  53  -0.731  -1.288  -4.265
  382   2HB   SER  53          1HB       SER  53  -0.942  -2.690  -3.217
  383    HG   SER  53           HG       SER  53   0.883  -3.005  -4.464
  384    H    LYS  54           H        LYS  54  -1.900  -4.603  -6.330
  385    HA   LYS  54           HA       LYS  54  -1.322  -3.155  -8.746
  386   1HB   LYS  54          2HB       LYS  54  -0.813  -5.746  -7.751
  387   2HB   LYS  54          1HB       LYS  54  -1.779  -5.959  -9.203
  388   1HG   LYS  54          2HG       LYS  54   0.159  -5.829 -10.292
  389   2HG   LYS  54          1HG       LYS  54   0.052  -4.092 -10.000
  390   1HD   LYS  54          2HD       LYS  54   1.425  -4.266  -8.049
  391   2HD   LYS  54          1HD       LYS  54   1.377  -6.030  -8.109
  392   1HE   LYS  54          2HE       LYS  54   2.425  -5.709 -10.468
  393   2HE   LYS  54          1HE       LYS  54   2.858  -4.111  -9.862
  394   1HZ   LYS  54          1HZ       LYS  54   3.890  -6.726  -9.108
  395   2HZ   LYS  54          2HZ       LYS  54   3.700  -5.611  -7.852
  396   3HZ   LYS  54          3HZ       LYS  54   4.677  -5.230  -9.179
  397    H    ARG  55           H        ARG  55  -4.176  -3.893  -7.245
  398    HA   ARG  55           HA       ARG  55  -5.614  -4.067  -9.807
  399   1HB   ARG  55          2HB       ARG  55  -5.732  -5.907  -7.829
  400   2HB   ARG  55          1HB       ARG  55  -7.043  -4.843  -7.341
  401   1HG   ARG  55          2HG       ARG  55  -7.870  -5.070  -9.755
  402   2HG   ARG  55          1HG       ARG  55  -6.763  -6.440  -9.858
  403   1HD   ARG  55          2HD       ARG  55  -8.900  -6.142  -7.754
  404   2HD   ARG  55          1HD       ARG  55  -9.108  -7.047  -9.252
  405    HE   ARG  55           HE       ARG  55  -6.868  -8.118  -8.145
  406   1HH1  ARG  55          1HH1      ARG  55 -10.128  -7.600  -7.012
  407   2HH1  ARG  55          2HH1      ARG  55 -10.111  -8.971  -5.953
  408   1HH2  ARG  55          1HH2      ARG  55  -6.843  -9.921  -6.755
  409   2HH2  ARG  55          2HH2      ARG  55  -8.245 -10.289  -5.807
  410    H    ILE  56           H        ILE  56  -4.777  -1.883  -7.582
  411    HA   ILE  56           HA       ILE  56  -7.398  -0.571  -7.450
  412    HB   ILE  56           HB       ILE  56  -4.835   0.023  -5.965
  413   1HG1  ILE  56          2HG1      ILE  56  -7.476  -1.200  -5.156
  414   2HG1  ILE  56          1HG1      ILE  56  -5.881  -1.940  -5.083
  415   1HG2  ILE  56          1HG2      ILE  56  -6.166   1.664  -4.695
  416   2HG2  ILE  56          2HG2      ILE  56  -7.511   1.404  -5.806
  417   3HG2  ILE  56          3HG2      ILE  56  -6.000   2.097  -6.395
  418   1HD1  ILE  56          1HD1      ILE  56  -5.798  -1.320  -2.960
  419   2HD1  ILE  56          2HD1      ILE  56  -7.257  -0.344  -3.129
  420   3HD1  ILE  56          3HD1      ILE  56  -5.682   0.350  -3.516
  421    H    ASP  57           H        ASP  57  -7.610   1.649  -8.020
  422    HA   ASP  57           HA       ASP  57  -5.698   2.483 -10.097
  423   1HB   ASP  57          2HB       ASP  57  -8.167   2.014 -10.672
  424   2HB   ASP  57          1HB       ASP  57  -8.512   3.521  -9.829
  425    H    PHE  58           H        PHE  58  -4.327   3.437  -8.466
  426    HA   PHE  58           HA       PHE  58  -5.122   5.402  -6.652
  427   1HB   PHE  58          2HB       PHE  58  -2.473   5.048  -8.064
  428   2HB   PHE  58          1HB       PHE  58  -2.733   6.125  -6.698
  429    HD1  PHE  58           1HD      PHE  58  -2.013   2.782  -7.742
  430    HD2  PHE  58           2HD      PHE  58  -3.466   5.122  -4.498
  431    HE1  PHE  58           1HE      PHE  58  -1.543   0.925  -6.197
  432    HE2  PHE  58           2HE      PHE  58  -2.998   3.270  -2.947
  433    HZ   PHE  58           HZ       PHE  58  -2.031   1.168  -3.797
  434    H    ASP  59           H        ASP  59  -4.749   5.545 -10.068
  435    HA   ASP  59           HA       ASP  59  -4.388   8.379 -10.257
  436   1HB   ASP  59          2HB       ASP  59  -5.330   6.439 -12.377
  437   2HB   ASP  59          1HB       ASP  59  -4.717   8.067 -12.648
  438    H    LEU  60           H        LEU  60  -7.028   6.528  -9.395
  439    HA   LEU  60           HA       LEU  60  -8.977   8.325 -10.587
  440   1HB   LEU  60          2HB       LEU  60  -9.145   5.671  -9.221
  441   2HB   LEU  60          1HB       LEU  60 -10.573   6.684  -9.332
  442    HG   LEU  60           HG       LEU  60  -8.969   5.782 -11.723
  443   1HD1  LEU  60          1HD1      LEU  60 -11.648   4.668 -11.255
  444   2HD1  LEU  60          2HD1      LEU  60 -10.389   4.102 -10.157
  445   3HD1  LEU  60          3HD1      LEU  60 -10.194   3.906 -11.899
  446   1HD2  LEU  60          1HD2      LEU  60 -10.123   7.534 -12.569
  447   2HD2  LEU  60          2HD2      LEU  60 -11.351   7.479 -11.305
  448   3HD2  LEU  60          3HD2      LEU  60 -11.416   6.339 -12.649
  449    H    TYR  61           H        TYR  61  -7.146   9.177  -8.457
  450    HA   TYR  61           HA       TYR  61  -9.159  10.254  -6.655
  451   1HB   TYR  61          2HB       TYR  61  -6.707   8.765  -5.705
  452   2HB   TYR  61          1HB       TYR  61  -7.743   9.741  -4.674
  453    HD1  TYR  61           1HD      TYR  61 -10.074   9.016  -4.220
  454    HD2  TYR  61           2HD      TYR  61  -7.344   6.565  -6.376
  455    HE1  TYR  61           1HE      TYR  61 -11.531   7.071  -3.843
  456    HE2  TYR  61           2HE      TYR  61  -8.793   4.614  -6.005
  457    HH   TYR  61           HH       TYR  61 -10.750   4.143  -3.929
  458    H    THR  62           H        THR  62  -5.703  10.163  -7.482
  459    HA   THR  62           HA       THR  62  -5.648  13.091  -7.175
  460    HB   THR  62           HB       THR  62  -4.391  12.289  -5.340
  461    HG1  THR  62           1HG      THR  62  -3.311  13.857  -6.730
  462   1HG2  THR  62          1HG2      THR  62  -3.837  10.116  -5.460
  463   2HG2  THR  62          2HG2      THR  62  -2.309  10.766  -6.052
  464   3HG2  THR  62          3HG2      THR  62  -3.519  10.177  -7.193
  465   1H    SER  63          1HT       SER  63  20.611   4.371  -2.465
  466   2H    SER  63          2HT       SER  63  20.230   2.704  -2.616
  467   3H    SER  63          3HT       SER  63  19.189   3.749  -1.739
  468    HA   SER  63           HA       SER  63  19.789   4.092  -4.592
  469   1HB   SER  63          2HB       SER  63  17.681   2.922  -5.030
  470   2HB   SER  63          1HB       SER  63  18.792   1.865  -4.160
  471    HG   SER  63           HG       SER  63  16.448   2.130  -3.444
  472    H    HIS  64           H        HIS  64  17.828   5.209  -5.592
  473    HA   HIS  64           HA       HIS  64  17.460   7.700  -4.366
  474   1HB   HIS  64          2HB       HIS  64  17.254   7.332  -6.796
  475   2HB   HIS  64          1HB       HIS  64  15.777   6.413  -6.527
  476    HD1  HIS  64           1HD      HIS  64  16.854   9.680  -7.429
  477    HD2  HIS  64           2HD      HIS  64  13.761   8.166  -5.104
  478    HE1  HIS  64           1HE      HIS  64  15.165  11.535  -7.267
  479    HE2  HIS  64           2HE      HIS  64  13.342  10.626  -5.786
  480    H    ARG  65           H        ARG  65  14.842   5.390  -5.091
  481    HA   ARG  65           HA       ARG  65  13.022   6.539  -3.286
  482   1HB   ARG  65          2HB       ARG  65  12.633   4.901  -5.267
  483   2HB   ARG  65          1HB       ARG  65  12.907   3.645  -4.068
  484   1HG   ARG  65          2HG       ARG  65  10.548   4.032  -4.335
  485   2HG   ARG  65          1HG       ARG  65  11.058   4.545  -2.727
  486   1HD   ARG  65          2HD       ARG  65   9.514   6.152  -3.746
  487   2HD   ARG  65          1HD       ARG  65  11.102   6.865  -3.465
  488    HE   ARG  65           HE       ARG  65  11.006   5.843  -6.079
  489   1HH1  ARG  65          1HH1      ARG  65   9.651   8.426  -4.162
  490   2HH1  ARG  65          2HH1      ARG  65   9.447   9.490  -5.512
  491   1HH2  ARG  65          1HH2      ARG  65  10.737   7.241  -7.857
  492   2HH2  ARG  65          2HH2      ARG  65  10.063   8.817  -7.610
  493    HA   PRO  66           HA       PRO  66  14.511   4.839   0.529
  494   1HB   PRO  66          2HB       PRO  66  12.434   5.443   2.120
  495   2HB   PRO  66          1HB       PRO  66  13.516   6.684   1.477
  496   1HG   PRO  66          2HG       PRO  66  10.785   5.888   0.559
  497   2HG   PRO  66          1HG       PRO  66  11.498   7.506   0.685
  498   1HD   PRO  66          2HD       PRO  66  11.294   6.070  -1.659
  499   2HD   PRO  66          1HD       PRO  66  12.482   7.354  -1.374
  500    HA   PRO  67           HA       PRO  67  12.520   0.937   1.191
  501   1HB   PRO  67          2HB       PRO  67  13.361   0.307   3.636
  502   2HB   PRO  67          1HB       PRO  67  14.514   0.556   2.320
  503   1HG   PRO  67          2HG       PRO  67  13.813   2.349   4.591
  504   2HG   PRO  67          1HG       PRO  67  15.372   2.114   3.783
  505   1HD   PRO  67          2HD       PRO  67  13.528   4.198   3.312
  506   2HD   PRO  67          1HD       PRO  67  14.945   3.802   2.326
  507    HA   PRO  68           HA       PRO  68   8.632   2.074   3.235
  508   1HB   PRO  68          2HB       PRO  68   7.230  -0.092   2.376
  509   2HB   PRO  68          1HB       PRO  68   7.523   1.327   1.365
  510   1HG   PRO  68          2HG       PRO  68   8.958  -1.300   1.405
  511   2HG   PRO  68          1HG       PRO  68   8.435  -0.332   0.014
  512   1HD   PRO  68          2HD       PRO  68  10.989  -0.331   0.897
  513   2HD   PRO  68          1HD       PRO  68  10.234   1.105   0.178
  514    HA   PRO  69           HA       PRO  69   8.657  -0.285   6.960
  515   1HB   PRO  69          2HB       PRO  69   5.969  -0.799   7.335
  516   2HB   PRO  69          1HB       PRO  69   6.783   0.693   7.796
  517   1HG   PRO  69          2HG       PRO  69   5.112   0.103   5.404
  518   2HG   PRO  69          1HG       PRO  69   5.239   1.593   6.348
  519   1HD   PRO  69          2HD       PRO  69   6.423   1.290   3.935
  520   2HD   PRO  69          1HD       PRO  69   7.126   2.294   5.218
  521    H    GLY  70           H        GLY  70   7.491  -2.314   7.960
  522   1HA   GLY  70          2HA       GLY  70   7.083  -4.569   7.863
  523   2HA   GLY  70          1HA       GLY  70   6.667  -4.365   6.172
  524    H    HIS  71           H        HIS  71   8.597  -3.992   4.704
  525    HA   HIS  71           HA       HIS  71  10.336  -5.063   3.679
  526   1HB   HIS  71          2HB       HIS  71  12.440  -4.541   4.647
  527   2HB   HIS  71          1HB       HIS  71  11.349  -3.263   5.136
  528    HD1  HIS  71           1HD      HIS  71  12.631  -2.620   7.148
  529    HD2  HIS  71           2HD      HIS  71  11.598  -6.625   7.206
  530    HE1  HIS  71           1HE      HIS  71  13.172  -3.411   9.474
  531    HE2  HIS  71           2HE      HIS  71  12.439  -5.820   9.510
  532    H    ARG  72           H        ARG  72  12.487  -6.530   4.662
  533    HA   ARG  72           HA       ARG  72  11.765  -8.629   6.368
  534   1HB   ARG  72          2HB       ARG  72  11.028  -8.936   3.527
  535   2HB   ARG  72          1HB       ARG  72  11.886 -10.300   4.225
  536   1HG   ARG  72          2HG       ARG  72  10.062 -10.995   5.269
  537   2HG   ARG  72          1HG       ARG  72   9.816  -9.412   6.009
  538   1HD   ARG  72          2HD       ARG  72   8.524  -8.649   4.197
  539   2HD   ARG  72          1HD       ARG  72   9.060  -9.966   3.155
  540    HE   ARG  72           HE       ARG  72   7.646 -10.917   5.443
  541   1HH1  ARG  72          1HH1      ARG  72   7.227  -9.522   2.271
  542   2HH1  ARG  72          2HH1      ARG  72   5.650 -10.200   2.045
  543   1HH2  ARG  72          1HH2      ARG  72   5.571 -11.809   5.147
  544   2HH2  ARG  72          2HH2      ARG  72   4.709 -11.498   3.676
  545    H    VAL  73           H        VAL  73  13.621  -9.396   7.116
  546    HA   VAL  73           HA       VAL  73  16.041  -9.044   5.499
  547    HB   VAL  73           HB       VAL  73  17.259  -9.448   7.640
  548   1HG1  VAL  73          1HG1      VAL  73  15.256  -7.204   7.834
  549   2HG1  VAL  73          2HG1      VAL  73  16.673  -7.178   6.784
  550   3HG1  VAL  73          3HG1      VAL  73  16.875  -7.262   8.534
  551   1HG2  VAL  73          1HG2      VAL  73  14.984 -10.571   8.537
  552   2HG2  VAL  73          2HG2      VAL  73  14.817  -8.955   9.223
  553   3HG2  VAL  73          3HG2      VAL  73  16.238  -9.928   9.600
  Start of MODEL   10
    1   1H    ASP   1          1HT       ASP   1  -3.437  12.720  -2.799
    2   2H    ASP   1          2HT       ASP   1  -2.096  12.118  -1.914
    3   3H    ASP   1          3HT       ASP   1  -2.126  13.758  -2.422
    4    HA   ASP   1           HA       ASP   1  -2.620  13.735  -0.164
    5   1HB   ASP   1          2HB       ASP   1  -3.982  15.138  -1.797
    6   2HB   ASP   1          1HB       ASP   1  -5.260  13.939  -1.620
    7    H    VAL   2           H        VAL   2  -4.958  11.662  -1.880
    8    HA   VAL   2           HA       VAL   2  -6.132  10.522   0.394
    9    HB   VAL   2           HB       VAL   2  -5.799   9.166  -2.284
   10   1HG1  VAL   2          1HG1      VAL   2  -7.773   7.945  -1.714
   11   2HG1  VAL   2          2HG1      VAL   2  -8.011   8.906  -0.255
   12   3HG1  VAL   2          3HG1      VAL   2  -6.642   7.801  -0.367
   13   1HG2  VAL   2          1HG2      VAL   2  -6.773  11.116  -2.976
   14   2HG2  VAL   2          2HG2      VAL   2  -7.546  11.413  -1.418
   15   3HG2  VAL   2          3HG2      VAL   2  -8.212  10.206  -2.517
   16    H    MET   3           H        MET   3  -5.286   9.242   1.887
   17    HA   MET   3           HA       MET   3  -2.732   7.967   1.494
   18   1HB   MET   3          2HB       MET   3  -4.508   7.503   3.869
   19   2HB   MET   3          1HB       MET   3  -2.752   7.512   3.789
   20   1HG   MET   3          2HG       MET   3  -4.578   9.896   3.617
   21   2HG   MET   3          1HG       MET   3  -3.522   9.460   4.959
   22   1HE   MET   3          1HE       MET   3  -1.800  10.660   5.452
   23   2HE   MET   3          2HE       MET   3  -0.648  11.520   4.431
   24   3HE   MET   3          3HE       MET   3  -0.534   9.768   4.608
   25    H    TRP   4           H        TRP   4  -2.318   5.706   1.686
   26    HA   TRP   4           HA       TRP   4  -4.621   3.925   1.457
   27   1HB   TRP   4          2HB       TRP   4  -2.467   4.195  -0.636
   28   2HB   TRP   4          1HB       TRP   4  -3.494   2.771  -0.498
   29    HD1  TRP   4           HD       TRP   4  -3.727   6.532  -1.296
   30    HE1  TRP   4           1HE      TRP   4  -5.850   6.926  -2.699
   31    HE3  TRP   4           3HE      TRP   4  -5.712   1.829  -1.092
   32    HZ2  TRP   4           2HZ      TRP   4  -8.073   5.435  -3.598
   33    HZ3  TRP   4           3HZ      TRP   4  -7.839   1.395  -2.247
   34    HH2  TRP   4           HH       TRP   4  -8.993   3.160  -3.475
   35    H    GLU   5           H        GLU   5  -4.323   2.425   2.934
   36    HA   GLU   5           HA       GLU   5  -1.785   1.782   4.059
   37   1HB   GLU   5          2HB       GLU   5  -4.510   1.315   4.685
   38   2HB   GLU   5          1HB       GLU   5  -3.727  -0.256   4.593
   39   1HG   GLU   5          2HG       GLU   5  -2.533   0.083   6.459
   40   2HG   GLU   5          1HG       GLU   5  -2.244   1.783   6.091
   41    H    TYR   6           H        TYR   6  -1.117  -0.599   4.223
   42    HA   TYR   6           HA       TYR   6  -1.727  -2.266   1.972
   43   1HB   TYR   6          2HB       TYR   6   0.205  -2.138   0.724
   44   2HB   TYR   6          1HB       TYR   6   0.030  -0.462   1.221
   45    HD1  TYR   6           1HD      TYR   6   1.815  -3.621   1.989
   46    HD2  TYR   6           2HD      TYR   6   1.733   0.606   2.462
   47    HE1  TYR   6           1HE      TYR   6   4.082  -3.689   2.938
   48    HE2  TYR   6           2HE      TYR   6   4.000   0.549   3.412
   49    HH   TYR   6           HH       TYR   6   5.979  -2.246   3.282
   50    H    LYS   7           H        LYS   7  -1.357  -4.354   2.393
   51    HA   LYS   7           HA       LYS   7   0.341  -5.033   4.693
   52   1HB   LYS   7          2HB       LYS   7  -1.983  -5.191   5.403
   53   2HB   LYS   7          1HB       LYS   7  -2.367  -6.197   4.014
   54   1HG   LYS   7          2HG       LYS   7  -1.132  -8.016   4.866
   55   2HG   LYS   7          1HG       LYS   7  -0.367  -7.013   6.099
   56   1HD   LYS   7          2HD       LYS   7  -2.151  -8.448   7.021
   57   2HD   LYS   7          1HD       LYS   7  -2.490  -6.730   7.233
   58   1HE   LYS   7          2HE       LYS   7  -3.534  -7.919   4.754
   59   2HE   LYS   7          1HE       LYS   7  -4.253  -8.537   6.240
   60   1HZ   LYS   7          1HZ       LYS   7  -5.019  -6.432   6.829
   61   2HZ   LYS   7          2HZ       LYS   7  -5.322  -6.513   5.167
   62   3HZ   LYS   7          3HZ       LYS   7  -3.996  -5.635   5.743
   63    H    TRP   8           H        TRP   8   1.814  -6.568   4.290
   64    HA   TRP   8           HA       TRP   8   2.303  -7.508   1.713
   65   1HB   TRP   8          2HB       TRP   8   3.294  -8.326   4.426
   66   2HB   TRP   8          1HB       TRP   8   3.773  -9.233   2.996
   67    HD1  TRP   8           HD       TRP   8   5.006  -6.557   5.076
   68    HE1  TRP   8           1HE      TRP   8   6.720  -5.091   3.835
   69    HE3  TRP   8           3HE      TRP   8   4.054  -8.066   0.282
   70    HZ2  TRP   8           2HZ      TRP   8   7.557  -4.636   1.179
   71    HZ3  TRP   8           3HZ      TRP   8   5.357  -7.067  -1.550
   72    HH2  TRP   8           HH       TRP   8   7.072  -5.387  -1.109
   73    H    GLU   9           H        GLU   9   0.855  -9.212   4.482
   74    HA   GLU   9           HA       GLU   9  -0.300 -11.122   2.560
   75   1HB   GLU   9          2HB       GLU   9   0.986 -11.709   5.224
   76   2HB   GLU   9          1HB       GLU   9  -0.079 -12.849   4.413
   77   1HG   GLU   9          2HG       GLU   9   2.413 -11.724   3.163
   78   2HG   GLU   9          1HG       GLU   9   2.366 -13.235   4.071
   79    H    ASN  10           H        ASN  10  -2.434 -11.447   2.738
   80    HA   ASN  10           HA       ASN  10  -3.946  -9.880   4.593
   81   1HB   ASN  10          2HB       ASN  10  -4.738 -10.302   2.300
   82   2HB   ASN  10          1HB       ASN  10  -4.867 -12.020   2.661
   83   1HD2  ASN  10          1HD2      ASN  10  -5.787  -9.118   4.477
   84   2HD2  ASN  10          2HD2      ASN  10  -7.448  -9.553   4.663
   85    H    THR  11           H        THR  11  -2.657 -11.102   6.384
   86    HA   THR  11           HA       THR  11  -4.251 -13.418   7.252
   87    HB   THR  11           HB       THR  11  -2.362 -14.337   8.296
   88    HG1  THR  11           1HG      THR  11  -0.777 -12.068   7.816
   89   1HG2  THR  11          1HG2      THR  11  -2.109 -13.636   5.588
   90   2HG2  THR  11          2HG2      THR  11  -1.326 -14.959   6.455
   91   3HG2  THR  11          3HG2      THR  11  -0.532 -13.389   6.339
   92    H    GLY  12           H        GLY  12  -4.210 -13.669   9.706
   93   1HA   GLY  12          2HA       GLY  12  -5.155 -11.188  10.849
   94   2HA   GLY  12          1HA       GLY  12  -5.177 -12.769  11.619
   95    H    ASP  13           H        ASP  13  -2.128 -12.426  10.478
   96    HA   ASP  13           HA       ASP  13  -1.180 -11.272  13.015
   97   1HB   ASP  13          2HB       ASP  13   0.827 -12.684  12.743
   98   2HB   ASP  13          1HB       ASP  13  -0.645 -13.646  12.826
   99    H    ALA  14           H        ALA  14  -0.866 -11.274   9.531
  100    HA   ALA  14           HA       ALA  14   1.484  -9.971   9.062
  101   1HB   ALA  14          1HB       ALA  14   0.473 -10.371   7.085
  102   2HB   ALA  14          2HB       ALA  14  -0.059  -8.699   7.264
  103   3HB   ALA  14          3HB       ALA  14  -1.137 -10.021   7.713
  104    H    GLU  15           H        GLU  15   2.129  -7.792   8.826
  105    HA   GLU  15           HA       GLU  15   1.214  -6.076  10.905
  106   1HB   GLU  15          2HB       GLU  15   3.105  -5.549   8.606
  107   2HB   GLU  15          1HB       GLU  15   2.848  -4.461   9.963
  108   1HG   GLU  15          2HG       GLU  15   3.842  -7.284  10.249
  109   2HG   GLU  15          1HG       GLU  15   4.895  -5.876  10.112
  110    H    LEU  16           H        LEU  16   1.047  -3.594  10.112
  111    HA   LEU  16           HA       LEU  16  -0.828  -3.415   7.874
  112   1HB   LEU  16          2HB       LEU  16  -1.699  -3.496  10.510
  113   2HB   LEU  16          1HB       LEU  16  -1.687  -1.785  10.128
  114    HG   LEU  16           HG       LEU  16  -3.878  -2.888   9.729
  115   1HD1  LEU  16          1HD1      LEU  16  -2.769  -1.981   7.101
  116   2HD1  LEU  16          2HD1      LEU  16  -2.934  -0.860   8.452
  117   3HD1  LEU  16          3HD1      LEU  16  -4.357  -1.677   7.808
  118   1HD2  LEU  16          1HD2      LEU  16  -4.170  -4.653   8.357
  119   2HD2  LEU  16          2HD2      LEU  16  -2.472  -4.954   8.726
  120   3HD2  LEU  16          3HD2      LEU  16  -2.917  -4.125   7.234
  121    H    TYR  17           H        TYR  17   0.673  -2.255   6.699
  122    HA   TYR  17           HA       TYR  17   1.460   0.356   7.819
  123   1HB   TYR  17          2HB       TYR  17   2.798  -1.199   5.594
  124   2HB   TYR  17          1HB       TYR  17   3.353   0.323   6.279
  125    HD1  TYR  17           1HD      TYR  17   3.655   0.213   8.951
  126    HD2  TYR  17           2HD      TYR  17   3.864  -3.108   6.300
  127    HE1  TYR  17           1HE      TYR  17   5.006  -1.011  10.599
  128    HE2  TYR  17           2HE      TYR  17   5.215  -4.342   7.942
  129    HH   TYR  17           HH       TYR  17   6.879  -3.346  10.078
  130    H    GLY  18           H        GLY  18   2.242   1.593   5.479
  131   1HA   GLY  18          2HA       GLY  18   1.489   2.386   3.417
  132   2HA   GLY  18          1HA       GLY  18   0.005   1.491   3.645
  133    HA   PRO  19           HA       PRO  19  -1.256   5.278   5.996
  134   1HB   PRO  19          2HB       PRO  19   0.235   6.404   7.897
  135   2HB   PRO  19          1HB       PRO  19  -0.518   4.825   8.159
  136   1HG   PRO  19          2HG       PRO  19   2.310   5.477   7.434
  137   2HG   PRO  19          1HG       PRO  19   1.698   4.280   8.590
  138   1HD   PRO  19          2HD       PRO  19   2.501   3.705   6.009
  139   2HD   PRO  19          1HD       PRO  19   1.394   2.708   6.971
  140    H    PHE  20           H        PHE  20   0.854   5.371   3.789
  141    HA   PHE  20           HA       PHE  20   1.707   8.162   3.946
  142   1HB   PHE  20          2HB       PHE  20   2.445   6.428   1.645
  143   2HB   PHE  20          1HB       PHE  20   3.395   7.650   2.481
  144    HD1  PHE  20           1HD      PHE  20   4.727   7.094   4.396
  145    HD2  PHE  20           2HD      PHE  20   2.277   4.159   2.526
  146    HE1  PHE  20           1HE      PHE  20   5.896   5.324   5.646
  147    HE2  PHE  20           2HE      PHE  20   3.442   2.386   3.774
  148    HZ   PHE  20           HZ       PHE  20   5.251   2.973   5.336
  149    H    THR  21           H        THR  21   1.666   9.323   1.779
  150    HA   THR  21           HA       THR  21  -1.051   9.550   0.946
  151    HB   THR  21           HB       THR  21  -0.288  11.341  -0.476
  152    HG1  THR  21           1HG      THR  21   1.555  11.077  -1.413
  153   1HG2  THR  21          1HG2      THR  21   0.016  11.422   2.202
  154   2HG2  THR  21          2HG2      THR  21   0.296  12.790   1.124
  155   3HG2  THR  21          3HG2      THR  21   1.653  11.805   1.669
  156    H    SER  22           H        SER  22  -1.970   9.128  -1.069
  157    HA   SER  22           HA       SER  22  -1.426   6.747  -2.305
  158   1HB   SER  22          2HB       SER  22  -2.490   8.108  -4.394
  159   2HB   SER  22          1HB       SER  22  -3.447   7.500  -3.044
  160    HG   SER  22           HG       SER  22  -2.427  10.118  -3.409
  161    H    ALA  23           H        ALA  23   0.062   9.843  -2.824
  162    HA   ALA  23           HA       ALA  23   1.341   9.350  -5.278
  163   1HB   ALA  23          1HB       ALA  23   1.074  11.510  -3.720
  164   2HB   ALA  23          2HB       ALA  23   2.321  11.374  -4.961
  165   3HB   ALA  23          3HB       ALA  23   2.715  11.041  -3.274
  166    H    GLN  24           H        GLN  24   2.422   8.927  -1.921
  167    HA   GLN  24           HA       GLN  24   4.978   7.894  -2.612
  168   1HB   GLN  24          2HB       GLN  24   4.150   8.932  -0.371
  169   2HB   GLN  24          1HB       GLN  24   3.611   7.298  -0.010
  170   1HG   GLN  24          2HG       GLN  24   5.709   7.421   0.965
  171   2HG   GLN  24          1HG       GLN  24   6.006   6.588  -0.560
  172   1HE2  GLN  24          1HE2      GLN  24   8.042   7.162  -1.001
  173   2HE2  GLN  24          2HE2      GLN  24   8.594   8.788  -1.184
  174    H    MET  25           H        MET  25   1.842   6.496  -2.053
  175    HA   MET  25           HA       MET  25   2.746   3.786  -1.908
  176   1HB   MET  25          2HB       MET  25   0.050   5.072  -2.286
  177   2HB   MET  25          1HB       MET  25   0.254   3.329  -2.397
  178   1HG   MET  25          2HG       MET  25   0.883   5.052  -0.010
  179   2HG   MET  25          1HG       MET  25  -0.496   3.969  -0.189
  180   1HE   MET  25          1HE       MET  25   1.376   0.505  -0.492
  181   2HE   MET  25          2HE       MET  25   1.699   1.598  -1.839
  182   3HE   MET  25          3HE       MET  25   0.074   1.487  -1.164
  183    H    GLN  26           H        GLN  26   1.226   5.776  -4.423
  184    HA   GLN  26           HA       GLN  26   1.101   3.858  -6.440
  185   1HB   GLN  26          2HB       GLN  26  -0.048   5.960  -6.680
  186   2HB   GLN  26          1HB       GLN  26   1.463   6.854  -6.589
  187   1HG   GLN  26          2HG       GLN  26   0.744   6.822  -8.857
  188   2HG   GLN  26          1HG       GLN  26   2.161   5.784  -8.714
  189   1HE2  GLN  26          1HE2      GLN  26   1.700   3.445  -8.433
  190   2HE2  GLN  26          2HE2      GLN  26   0.370   2.775  -9.308
  191    H    THR  27           H        THR  27   3.766   5.854  -5.338
  192    HA   THR  27           HA       THR  27   5.496   5.292  -7.521
  193    HB   THR  27           HB       THR  27   6.333   6.088  -4.734
  194    HG1  THR  27           1HG      THR  27   5.888   8.162  -5.266
  195   1HG2  THR  27          1HG2      THR  27   8.051   7.391  -6.000
  196   2HG2  THR  27          2HG2      THR  27   7.556   6.506  -7.444
  197   3HG2  THR  27          3HG2      THR  27   8.233   5.638  -6.065
  198    H    TRP  28           H        TRP  28   5.375   4.067  -4.176
  199    HA   TRP  28           HA       TRP  28   7.414   2.159  -4.466
  200   1HB   TRP  28          2HB       TRP  28   5.118   2.477  -2.558
  201   2HB   TRP  28          1HB       TRP  28   6.151   1.056  -2.486
  202    HD1  TRP  28           HD       TRP  28   8.958   2.487  -2.997
  203    HE1  TRP  28           1HE      TRP  28   9.968   3.977  -1.153
  204    HE3  TRP  28           3HE      TRP  28   4.699   3.514  -0.366
  205    HZ2  TRP  28           2HZ      TRP  28   9.072   5.397   1.117
  206    HZ3  TRP  28           3HZ      TRP  28   4.860   4.945   1.627
  207    HH2  TRP  28           HH       TRP  28   7.001   5.866   2.354
  208    H    VAL  29           H        VAL  29   3.917   1.947  -4.905
  209    HA   VAL  29           HA       VAL  29   3.797  -0.832  -5.385
  210    HB   VAL  29           HB       VAL  29   1.939   1.386  -6.257
  211   1HG1  VAL  29          1HG1      VAL  29   1.591  -0.494  -7.718
  212   2HG1  VAL  29          2HG1      VAL  29   0.261  -0.409  -6.565
  213   3HG1  VAL  29          3HG1      VAL  29   1.543  -1.601  -6.346
  214   1HG2  VAL  29          1HG2      VAL  29   1.539  -0.615  -4.050
  215   2HG2  VAL  29          2HG2      VAL  29   0.641   0.872  -4.357
  216   3HG2  VAL  29          3HG2      VAL  29   2.308   0.950  -3.788
  217    H    SER  30           H        SER  30   4.547   1.901  -7.424
  218    HA   SER  30           HA       SER  30   4.490   0.238  -9.826
  219   1HB   SER  30          2HB       SER  30   4.721   3.198  -9.342
  220   2HB   SER  30          1HB       SER  30   5.155   2.504 -10.904
  221    HG   SER  30           HG       SER  30   2.658   2.082  -9.628
  222    H    GLU  31           H        GLU  31   6.728   1.839  -7.670
  223    HA   GLU  31           HA       GLU  31   9.040   1.845  -9.207
  224   1HB   GLU  31          2HB       GLU  31   8.395   1.928  -6.347
  225   2HB   GLU  31          1HB       GLU  31   9.978   1.248  -6.694
  226   1HG   GLU  31          2HG       GLU  31   8.973   3.938  -7.596
  227   2HG   GLU  31          1HG       GLU  31  10.109   3.638  -6.282
  228    H    GLY  32           H        GLY  32   7.459  -0.799  -7.548
  229   1HA   GLY  32          2HA       GLY  32   7.822  -3.018  -8.546
  230   2HA   GLY  32          1HA       GLY  32   9.528  -2.611  -8.633
  231    H    TYR  33           H        TYR  33   8.470  -1.369  -5.774
  232    HA   TYR  33           HA       TYR  33   9.909  -3.126  -4.169
  233   1HB   TYR  33          2HB       TYR  33   7.747  -1.124  -3.563
  234   2HB   TYR  33          1HB       TYR  33   8.465  -2.100  -2.285
  235    HD1  TYR  33           1HD      TYR  33  10.625  -1.602  -1.426
  236    HD2  TYR  33           2HD      TYR  33   9.177   0.461  -4.854
  237    HE1  TYR  33           1HE      TYR  33  12.483  -0.003  -1.241
  238    HE2  TYR  33           2HE      TYR  33  11.032   2.065  -4.680
  239    HH   TYR  33           HH       TYR  33  12.917   2.407  -1.969
  240    H    PHE  34           H        PHE  34   6.542  -3.170  -5.143
  241    HA   PHE  34           HA       PHE  34   6.151  -5.649  -3.603
  242   1HB   PHE  34          2HB       PHE  34   3.879  -4.137  -4.842
  243   2HB   PHE  34          1HB       PHE  34   3.881  -5.176  -3.422
  244    HD1  PHE  34           1HD      PHE  34   2.776  -2.286  -3.861
  245    HD2  PHE  34           2HD      PHE  34   6.314  -3.853  -2.091
  246    HE1  PHE  34           1HE      PHE  34   2.934  -0.298  -2.420
  247    HE2  PHE  34           2HE      PHE  34   6.477  -1.868  -0.647
  248    HZ   PHE  34           HZ       PHE  34   4.785  -0.087  -0.814
  249    HA   PRO  35           HA       PRO  35   6.558  -6.920  -8.063
  250   1HB   PRO  35          2HB       PRO  35   7.696  -9.337  -7.413
  251   2HB   PRO  35          1HB       PRO  35   8.612  -7.862  -7.740
  252   1HG   PRO  35          2HG       PRO  35   7.835  -9.071  -5.118
  253   2HG   PRO  35          1HG       PRO  35   9.367  -8.315  -5.595
  254   1HD   PRO  35          2HD       PRO  35   7.549  -7.013  -4.101
  255   2HD   PRO  35          1HD       PRO  35   8.541  -6.170  -5.308
  256    H    ASP  36           H        ASP  36   5.124  -8.268  -5.210
  257    HA   ASP  36           HA       ASP  36   3.441 -10.004  -6.881
  258   1HB   ASP  36          2HB       ASP  36   4.783 -11.276  -5.292
  259   2HB   ASP  36          1HB       ASP  36   4.186 -10.284  -3.965
  260    H    GLY  37           H        GLY  37   3.380  -7.076  -5.439
  261   1HA   GLY  37          2HA       GLY  37   1.580  -5.666  -5.084
  262   2HA   GLY  37          1HA       GLY  37   0.502  -7.026  -5.369
  263    H    VAL  38           H        VAL  38   0.127  -5.108  -3.338
  264    HA   VAL  38           HA       VAL  38   0.388  -6.844  -0.985
  265    HB   VAL  38           HB       VAL  38   0.597  -4.710   0.387
  266   1HG1  VAL  38          1HG1      VAL  38   2.921  -5.356  -1.421
  267   2HG1  VAL  38          2HG1      VAL  38   2.428  -6.343  -0.045
  268   3HG1  VAL  38          3HG1      VAL  38   2.988  -4.690   0.211
  269   1HG2  VAL  38          1HG2      VAL  38   1.771  -2.857  -0.888
  270   2HG2  VAL  38          2HG2      VAL  38   0.039  -3.022  -1.168
  271   3HG2  VAL  38          3HG2      VAL  38   1.188  -3.632  -2.360
  272    H    TYR  39           H        TYR  39  -1.170  -6.361   0.725
  273    HA   TYR  39           HA       TYR  39  -3.785  -5.959  -0.379
  274   1HB   TYR  39          2HB       TYR  39  -2.652  -7.144   1.970
  275   2HB   TYR  39          1HB       TYR  39  -3.895  -5.999   2.457
  276    HD1  TYR  39           1HD      TYR  39  -3.434  -8.596  -0.196
  277    HD2  TYR  39           2HD      TYR  39  -5.995  -6.892   2.741
  278    HE1  TYR  39           1HE      TYR  39  -5.163 -10.254  -0.753
  279    HE2  TYR  39           2HE      TYR  39  -7.732  -8.546   2.196
  280    HH   TYR  39           HH       TYR  39  -8.044 -10.111  -0.361
  281    H    CYS  40           H        CYS  40  -3.762  -3.804  -1.084
  282    HA   CYS  40           HA       CYS  40  -3.271  -1.706   0.844
  283   1HB   CYS  40          2HB       CYS  40  -3.568  -1.880  -2.082
  284   2HB   CYS  40          1HB       CYS  40  -4.185  -0.400  -1.354
  285    HG   CYS  40           HG       CYS  40  -1.778   0.063  -0.438
  286    H    ARG  41           H        ARG  41  -4.769  -0.009   1.276
  287    HA   ARG  41           HA       ARG  41  -7.486  -0.067   0.594
  288   1HB   ARG  41          2HB       ARG  41  -8.281  -1.672   1.935
  289   2HB   ARG  41          1HB       ARG  41  -6.719  -1.881   2.704
  290   1HG   ARG  41          2HG       ARG  41  -8.233  -1.385   4.426
  291   2HG   ARG  41          1HG       ARG  41  -7.316   0.098   4.163
  292   1HD   ARG  41          2HD       ARG  41  -9.781   0.423   4.450
  293   2HD   ARG  41          1HD       ARG  41  -9.120   1.086   2.958
  294    HE   ARG  41           HE       ARG  41 -10.134  -1.571   2.638
  295   1HH1  ARG  41          1HH1      ARG  41 -11.015   1.804   2.736
  296   2HH1  ARG  41          2HH1      ARG  41 -12.436   1.591   1.770
  297   1HH2  ARG  41          1HH2      ARG  41 -12.005  -1.853   1.367
  298   2HH2  ARG  41          2HH2      ARG  41 -12.998  -0.485   0.993
  299    H    LYS  42           H        LYS  42  -8.206   1.946   0.892
  300    HA   LYS  42           HA       LYS  42  -6.688   4.018   1.861
  301   1HB   LYS  42          2HB       LYS  42  -9.575   3.624   1.288
  302   2HB   LYS  42          1HB       LYS  42  -9.131   5.043   2.219
  303   1HG   LYS  42          2HG       LYS  42  -7.524   5.639   0.406
  304   2HG   LYS  42          1HG       LYS  42  -8.191   4.306  -0.538
  305   1HD   LYS  42          2HD       LYS  42 -10.049   6.335   0.609
  306   2HD   LYS  42          1HD       LYS  42  -9.105   6.754  -0.822
  307   1HE   LYS  42          2HE       LYS  42 -10.246   5.327  -2.158
  308   2HE   LYS  42          1HE       LYS  42 -10.458   4.132  -0.879
  309   1HZ   LYS  42          1HZ       LYS  42 -12.574   4.855  -0.989
  310   2HZ   LYS  42          2HZ       LYS  42 -12.162   6.362  -1.635
  311   3HZ   LYS  42          3HZ       LYS  42 -12.010   6.085   0.026
  312    H    LEU  43           H        LEU  43  -6.319   4.952   3.786
  313    HA   LEU  43           HA       LEU  43  -6.706   3.538   6.165
  314   1HB   LEU  43          2HB       LEU  43  -6.312   6.510   6.097
  315   2HB   LEU  43          1HB       LEU  43  -5.722   5.354   7.275
  316    HG   LEU  43           HG       LEU  43  -4.721   5.623   4.439
  317   1HD1  LEU  43          1HD1      LEU  43  -3.457   6.397   7.057
  318   2HD1  LEU  43          2HD1      LEU  43  -4.095   7.508   5.844
  319   3HD1  LEU  43          3HD1      LEU  43  -2.700   6.498   5.468
  320   1HD2  LEU  43          1HD2      LEU  43  -3.361   4.067   6.590
  321   2HD2  LEU  43          2HD2      LEU  43  -3.245   3.903   4.838
  322   3HD2  LEU  43          3HD2      LEU  43  -4.682   3.329   5.684
  323    H    ASP  44           H        ASP  44  -8.185   6.663   5.288
  324    HA   ASP  44           HA       ASP  44 -10.490   5.936   6.970
  325   1HB   ASP  44          2HB       ASP  44  -8.999   7.965   7.577
  326   2HB   ASP  44          1HB       ASP  44  -9.785   8.760   6.216
  327    HA   PRO  45           HA       PRO  45 -12.575   6.454   7.296
  328   1HB   PRO  45          2HB       PRO  45 -14.734   4.876   6.147
  329   2HB   PRO  45          1HB       PRO  45 -14.824   6.392   7.045
  330   1HG   PRO  45          2HG       PRO  45 -15.388   6.209   4.395
  331   2HG   PRO  45          1HG       PRO  45 -14.732   7.675   5.146
  332   1HD   PRO  45          2HD       PRO  45 -13.314   5.554   3.572
  333   2HD   PRO  45          1HD       PRO  45 -13.122   7.320   3.512
  334    HA   PRO  46           HA       PRO  46 -10.755   2.371   7.555
  335   1HB   PRO  46          2HB       PRO  46 -10.879   2.081  10.234
  336   2HB   PRO  46          1HB       PRO  46  -9.710   3.153   9.455
  337   1HG   PRO  46          2HG       PRO  46 -12.321   3.823  10.757
  338   2HG   PRO  46          1HG       PRO  46 -10.764   4.661  10.879
  339   1HD   PRO  46          2HD       PRO  46 -12.780   5.501   9.256
  340   2HD   PRO  46          1HD       PRO  46 -11.065   5.773   8.890
  341    H    GLY  47           H        GLY  47 -12.221   0.979   6.634
  342   1HA   GLY  47          2HA       GLY  47 -14.368   0.011   8.406
  343   2HA   GLY  47          1HA       GLY  47 -14.584   0.179   6.672
  344    H    GLY  48           H        GLY  48 -13.311  -1.204   5.268
  345   1HA   GLY  48          2HA       GLY  48 -11.679  -3.295   6.131
  346   2HA   GLY  48          1HA       GLY  48 -13.330  -3.897   6.127
  347    H    GLN  49           H        GLN  49 -13.067  -5.341   4.459
  348    HA   GLN  49           HA       GLN  49 -12.728  -6.124   2.341
  349   1HB   GLN  49          2HB       GLN  49 -14.557  -3.886   2.333
  350   2HB   GLN  49          1HB       GLN  49 -13.763  -4.066   0.776
  351   1HG   GLN  49          2HG       GLN  49 -15.436  -5.493   0.363
  352   2HG   GLN  49          1HG       GLN  49 -14.441  -6.627   1.276
  353   1HE2  GLN  49          1HE2      GLN  49 -14.783  -6.147   3.793
  354   2HE2  GLN  49          2HE2      GLN  49 -16.441  -6.200   4.274
  355    H    PHE  50           H        PHE  50 -10.380  -5.689   2.757
  356    HA   PHE  50           HA       PHE  50  -9.015  -3.484   1.723
  357   1HB   PHE  50          2HB       PHE  50  -8.305  -6.239   2.518
  358   2HB   PHE  50          1HB       PHE  50  -7.196  -5.472   1.385
  359    HD1  PHE  50           1HD      PHE  50  -9.083  -4.456   4.447
  360    HD2  PHE  50           2HD      PHE  50  -5.377  -4.490   2.354
  361    HE1  PHE  50           1HE      PHE  50  -8.024  -3.247   6.309
  362    HE2  PHE  50           2HE      PHE  50  -4.311  -3.279   4.213
  363    HZ   PHE  50           HZ       PHE  50  -5.635  -2.657   6.194
  364    H    TYR  51           H        TYR  51  -7.234  -4.039  -0.114
  365    HA   TYR  51           HA       TYR  51  -8.254  -5.487  -2.360
  366   1HB   TYR  51          2HB       TYR  51  -9.255  -2.908  -2.072
  367   2HB   TYR  51          1HB       TYR  51  -7.950  -2.725  -3.239
  368    HD1  TYR  51           1HD      TYR  51 -10.220  -5.636  -2.774
  369    HD2  TYR  51           2HD      TYR  51  -9.088  -2.369  -5.254
  370    HE1  TYR  51           1HE      TYR  51 -11.698  -6.479  -4.548
  371    HE2  TYR  51           2HE      TYR  51 -10.564  -3.203  -7.036
  372    HH   TYR  51           HH       TYR  51 -12.806  -4.781  -6.982
  373    H    ASN  52           H        ASN  52  -6.591  -6.148  -3.562
  374    HA   ASN  52           HA       ASN  52  -3.940  -5.584  -2.887
  375   1HB   ASN  52          2HB       ASN  52  -4.949  -7.571  -4.222
  376   2HB   ASN  52          1HB       ASN  52  -4.715  -6.538  -5.629
  377   1HD2  ASN  52          1HD2      ASN  52  -3.237  -8.075  -6.439
  378   2HD2  ASN  52          2HD2      ASN  52  -1.621  -8.161  -5.833
  379    H    SER  53           H        SER  53  -2.492  -4.095  -3.530
  380    HA   SER  53           HA       SER  53  -3.275  -1.689  -4.675
  381   1HB   SER  53          2HB       SER  53  -0.592  -1.752  -5.229
  382   2HB   SER  53          1HB       SER  53  -1.285  -1.304  -3.671
  383    HG   SER  53           HG       SER  53   0.328  -3.314  -4.188
  384    H    LYS  54           H        LYS  54  -2.020  -4.598  -6.177
  385    HA   LYS  54           HA       LYS  54  -1.553  -3.480  -8.740
  386   1HB   LYS  54          2HB       LYS  54  -1.284  -6.021  -7.486
  387   2HB   LYS  54          1HB       LYS  54  -2.212  -6.249  -8.962
  388   1HG   LYS  54          2HG       LYS  54  -0.425  -5.047 -10.201
  389   2HG   LYS  54          1HG       LYS  54   0.519  -5.009  -8.711
  390   1HD   LYS  54          2HD       LYS  54  -0.450  -7.676  -9.272
  391   2HD   LYS  54          1HD       LYS  54   0.480  -7.035 -10.628
  392   1HE   LYS  54          2HE       LYS  54   2.174  -6.333  -8.782
  393   2HE   LYS  54          1HE       LYS  54   1.340  -7.545  -7.810
  394   1HZ   LYS  54          1HZ       LYS  54   2.106  -9.240  -9.098
  395   2HZ   LYS  54          2HZ       LYS  54   3.395  -8.164  -9.291
  396   3HZ   LYS  54          3HZ       LYS  54   2.221  -8.298 -10.499
  397    H    ARG  55           H        ARG  55  -4.428  -4.136  -7.083
  398    HA   ARG  55           HA       ARG  55  -5.935  -4.256  -9.611
  399   1HB   ARG  55          2HB       ARG  55  -6.117  -5.843  -7.254
  400   2HB   ARG  55          1HB       ARG  55  -7.599  -4.908  -7.387
  401   1HG   ARG  55          2HG       ARG  55  -7.940  -6.988  -8.488
  402   2HG   ARG  55          1HG       ARG  55  -7.832  -5.735  -9.725
  403   1HD   ARG  55          2HD       ARG  55  -5.212  -6.594  -9.365
  404   2HD   ARG  55          1HD       ARG  55  -6.174  -8.070  -9.306
  405    HE   ARG  55           HE       ARG  55  -5.681  -6.418 -11.595
  406   1HH1  ARG  55          1HH1      ARG  55  -7.907  -8.687 -10.156
  407   2HH1  ARG  55          2HH1      ARG  55  -8.573  -9.188 -11.674
  408   1HH2  ARG  55          1HH2      ARG  55  -6.557  -7.074 -13.593
  409   2HH2  ARG  55          2HH2      ARG  55  -7.807  -8.272 -13.625
  410    H    ILE  56           H        ILE  56  -4.911  -1.975  -7.693
  411    HA   ILE  56           HA       ILE  56  -7.497  -0.594  -7.438
  412    HB   ILE  56           HB       ILE  56  -4.889  -0.128  -5.995
  413   1HG1  ILE  56          2HG1      ILE  56  -7.642  -0.978  -5.074
  414   2HG1  ILE  56          1HG1      ILE  56  -6.196  -1.981  -5.120
  415   1HG2  ILE  56          1HG2      ILE  56  -6.114   1.652  -4.763
  416   2HG2  ILE  56          2HG2      ILE  56  -7.420   1.508  -5.940
  417   3HG2  ILE  56          3HG2      ILE  56  -5.819   2.034  -6.459
  418   1HD1  ILE  56          1HD1      ILE  56  -6.990  -0.948  -2.884
  419   2HD1  ILE  56          2HD1      ILE  56  -6.213   0.514  -3.490
  420   3HD1  ILE  56          3HD1      ILE  56  -5.272  -0.963  -3.279
  421    H    ASP  57           H        ASP  57  -7.602   1.644  -8.013
  422    HA   ASP  57           HA       ASP  57  -5.688   2.367 -10.132
  423   1HB   ASP  57          2HB       ASP  57  -8.189   1.924 -10.678
  424   2HB   ASP  57          1HB       ASP  57  -8.466   3.497  -9.937
  425    H    PHE  58           H        PHE  58  -4.303   3.364  -8.559
  426    HA   PHE  58           HA       PHE  58  -5.063   5.357  -6.766
  427   1HB   PHE  58          2HB       PHE  58  -2.445   4.982  -8.228
  428   2HB   PHE  58          1HB       PHE  58  -2.677   6.087  -6.877
  429    HD1  PHE  58           1HD      PHE  58  -4.256   4.576  -4.997
  430    HD2  PHE  58           2HD      PHE  58  -1.084   3.272  -7.517
  431    HE1  PHE  58           1HE      PHE  58  -3.756   2.756  -3.419
  432    HE2  PHE  58           2HE      PHE  58  -0.580   1.449  -5.944
  433    HZ   PHE  58           HZ       PHE  58  -1.915   1.187  -3.893
  434    H    ASP  59           H        ASP  59  -4.765   5.454 -10.190
  435    HA   ASP  59           HA       ASP  59  -4.456   8.300 -10.401
  436   1HB   ASP  59          2HB       ASP  59  -4.835   6.040 -12.304
  437   2HB   ASP  59          1HB       ASP  59  -5.264   7.655 -12.857
  438    H    LEU  60           H        LEU  60  -7.062   6.304  -9.655
  439    HA   LEU  60           HA       LEU  60  -9.040   8.097 -10.801
  440   1HB   LEU  60          2HB       LEU  60  -9.146   5.370  -9.585
  441   2HB   LEU  60          1HB       LEU  60 -10.605   6.340  -9.657
  442    HG   LEU  60           HG       LEU  60  -8.941   5.589 -12.061
  443   1HD1  LEU  60          1HD1      LEU  60 -10.296   3.786 -10.678
  444   2HD1  LEU  60          2HD1      LEU  60 -10.277   3.786 -12.442
  445   3HD1  LEU  60          3HD1      LEU  60 -11.649   4.476 -11.574
  446   1HD2  LEU  60          1HD2      LEU  60 -10.308   6.851 -13.307
  447   2HD2  LEU  60          2HD2      LEU  60 -10.703   7.660 -11.792
  448   3HD2  LEU  60          3HD2      LEU  60 -11.740   6.368 -12.398
  449    H    TYR  61           H        TYR  61  -7.288   8.904  -8.595
  450    HA   TYR  61           HA       TYR  61  -9.381   9.795  -6.771
  451   1HB   TYR  61          2HB       TYR  61  -6.900   8.296  -5.938
  452   2HB   TYR  61          1HB       TYR  61  -7.785   9.338  -4.829
  453    HD1  TYR  61           1HD      TYR  61 -10.019   8.717  -4.052
  454    HD2  TYR  61           2HD      TYR  61  -7.810   6.175  -6.652
  455    HE1  TYR  61           1HE      TYR  61 -11.548   6.864  -3.530
  456    HE2  TYR  61           2HE      TYR  61  -9.334   4.315  -6.138
  457    HH   TYR  61           HH       TYR  61 -12.099   4.417  -5.157
  458    H    THR  62           H        THR  62  -5.926   9.962  -7.589
  459    HA   THR  62           HA       THR  62  -5.469  12.488  -6.411
  460    HB   THR  62           HB       THR  62  -3.531  12.438  -8.229
  461    HG1  THR  62           1HG      THR  62  -3.827  10.758  -9.459
  462   1HG2  THR  62          1HG2      THR  62  -2.482  12.109  -6.302
  463   2HG2  THR  62          2HG2      THR  62  -2.633  10.384  -6.645
  464   3HG2  THR  62          3HG2      THR  62  -3.829  11.190  -5.629
  465   1H    SER  63          1HT       SER  63  17.361  12.843  -4.630
  466   2H    SER  63          2HT       SER  63  16.766  11.961  -5.977
  467   3H    SER  63          3HT       SER  63  18.111  11.371  -5.089
  468    HA   SER  63           HA       SER  63  16.805  10.951  -3.216
  469   1HB   SER  63          2HB       SER  63  14.222  11.392  -3.649
  470   2HB   SER  63          1HB       SER  63  15.270  12.667  -3.028
  471    HG   SER  63           HG       SER  63  14.647  13.741  -4.715
  472    H    HIS  64           H        HIS  64  17.141   8.826  -3.605
  473    HA   HIS  64           HA       HIS  64  15.854   7.522  -5.862
  474   1HB   HIS  64          2HB       HIS  64  18.092   6.930  -4.068
  475   2HB   HIS  64          1HB       HIS  64  17.085   5.528  -4.414
  476    HD1  HIS  64           1HD      HIS  64  18.800   8.290  -6.401
  477    HD2  HIS  64           2HD      HIS  64  17.824   4.261  -6.682
  478    HE1  HIS  64           1HE      HIS  64  19.794   7.506  -8.574
  479    HE2  HIS  64           2HE      HIS  64  19.258   5.048  -8.685
  480    H    ARG  65           H        ARG  65  14.649   8.486  -3.073
  481    HA   ARG  65           HA       ARG  65  12.875   7.889  -1.793
  482   1HB   ARG  65          2HB       ARG  65  12.388   6.770  -4.325
  483   2HB   ARG  65          1HB       ARG  65  11.991   5.512  -3.163
  484   1HG   ARG  65          2HG       ARG  65  10.452   6.993  -2.032
  485   2HG   ARG  65          1HG       ARG  65  10.902   8.319  -3.107
  486   1HD   ARG  65          2HD       ARG  65   9.337   5.837  -3.715
  487   2HD   ARG  65          1HD       ARG  65   8.910   7.520  -4.015
  488    HE   ARG  65           HE       ARG  65  10.350   5.792  -5.753
  489   1HH1  ARG  65          1HH1      ARG  65  10.095   9.121  -4.739
  490   2HH1  ARG  65          2HH1      ARG  65  10.700   9.753  -6.234
  491   1HH2  ARG  65          1HH2      ARG  65  11.142   6.619  -7.720
  492   2HH2  ARG  65          2HH2      ARG  65  11.292   8.332  -7.928
  493    HA   PRO  66           HA       PRO  66  14.578   4.653   0.728
  494   1HB   PRO  66          2HB       PRO  66  12.975   4.893   2.849
  495   2HB   PRO  66          1HB       PRO  66  14.135   6.157   2.427
  496   1HG   PRO  66          2HG       PRO  66  11.187   6.061   1.977
  497   2HG   PRO  66          1HG       PRO  66  12.208   7.435   2.430
  498   1HD   PRO  66          2HD       PRO  66  11.296   6.881  -0.140
  499   2HD   PRO  66          1HD       PRO  66  12.664   7.939   0.258
  500    HA   PRO  67           HA       PRO  67  11.938   1.113   0.425
  501   1HB   PRO  67          2HB       PRO  67  12.762  -0.431   2.451
  502   2HB   PRO  67          1HB       PRO  67  13.840  -0.009   1.116
  503   1HG   PRO  67          2HG       PRO  67  13.751   1.060   3.890
  504   2HG   PRO  67          1HG       PRO  67  15.144   0.804   2.827
  505   1HD   PRO  67          2HD       PRO  67  13.820   3.241   3.289
  506   2HD   PRO  67          1HD       PRO  67  14.995   2.915   2.005
  507    HA   PRO  68           HA       PRO  68   8.348   1.848   2.976
  508   1HB   PRO  68          2HB       PRO  68   6.897  -0.330   2.216
  509   2HB   PRO  68          1HB       PRO  68   7.062   1.122   1.222
  510   1HG   PRO  68          2HG       PRO  68   8.536  -1.477   1.038
  511   2HG   PRO  68          1HG       PRO  68   7.861  -0.478  -0.264
  512   1HD   PRO  68          2HD       PRO  68  10.488  -0.454   0.348
  513   2HD   PRO  68          1HD       PRO  68   9.640   0.996  -0.225
  514    HA   PRO  69           HA       PRO  69   8.749  -0.559   6.648
  515   1HB   PRO  69          2HB       PRO  69   6.115  -0.982   7.337
  516   2HB   PRO  69          1HB       PRO  69   7.010   0.502   7.667
  517   1HG   PRO  69          2HG       PRO  69   5.085  -0.105   5.470
  518   2HG   PRO  69          1HG       PRO  69   5.297   1.389   6.397
  519   1HD   PRO  69          2HD       PRO  69   6.245   1.107   3.888
  520   2HD   PRO  69          1HD       PRO  69   7.091   2.078   5.109
  521    H    GLY  70           H        GLY  70   7.671  -2.579   7.750
  522   1HA   GLY  70          2HA       GLY  70   7.146  -4.819   7.659
  523   2HA   GLY  70          1HA       GLY  70   6.599  -4.575   6.008
  524    H    HIS  71           H        HIS  71   8.509  -4.089   4.456
  525    HA   HIS  71           HA       HIS  71  10.148  -5.130   3.260
  526   1HB   HIS  71          2HB       HIS  71  12.313  -4.829   4.177
  527   2HB   HIS  71          1HB       HIS  71  11.321  -3.560   4.863
  528    HD1  HIS  71           1HD      HIS  71  12.711  -3.216   6.879
  529    HD2  HIS  71           2HD      HIS  71  11.498  -7.156   6.507
  530    HE1  HIS  71           1HE      HIS  71  13.307  -4.306   9.067
  531    HE2  HIS  71           2HE      HIS  71  12.637  -6.717   8.781
  532    H    ARG  72           H        ARG  72  12.195  -6.828   3.871
  533    HA   ARG  72           HA       ARG  72  11.704  -9.026   5.441
  534   1HB   ARG  72          2HB       ARG  72  10.984 -10.595   3.422
  535   2HB   ARG  72          1HB       ARG  72   9.795  -9.794   4.439
  536   1HG   ARG  72          2HG       ARG  72   9.048  -8.503   2.766
  537   2HG   ARG  72          1HG       ARG  72  10.667  -8.224   2.122
  538   1HD   ARG  72          2HD       ARG  72   8.932  -9.589   0.738
  539   2HD   ARG  72          1HD       ARG  72  10.612 -10.113   0.804
  540    HE   ARG  72           HE       ARG  72   8.923 -11.304   2.810
  541   1HH1  ARG  72          1HH1      ARG  72  10.134 -11.562  -0.454
  542   2HH1  ARG  72          2HH1      ARG  72   9.880 -13.272  -0.545
  543   1HH2  ARG  72          1HH2      ARG  72   8.589 -13.553   2.691
  544   2HH2  ARG  72          2HH2      ARG  72   9.003 -14.403   1.240
  545    H    VAL  73           H        VAL  73  13.993  -8.358   5.342
  546    HA   VAL  73           HA       VAL  73  15.471  -9.213   2.987
  547    HB   VAL  73           HB       VAL  73  17.471  -8.430   4.293
  548   1HG1  VAL  73          1HG1      VAL  73  15.304  -6.354   4.025
  549   2HG1  VAL  73          2HG1      VAL  73  16.205  -7.021   2.665
  550   3HG1  VAL  73          3HG1      VAL  73  17.046  -6.106   3.916
  551   1HG2  VAL  73          1HG2      VAL  73  15.742  -6.958   6.174
  552   2HG2  VAL  73          2HG2      VAL  73  17.343  -7.657   6.411
  553   3HG2  VAL  73          3HG2      VAL  73  15.913  -8.686   6.479
  Start of MODEL   11
    1   1H    ASP   1          1HT       ASP   1  -5.198  14.596   1.426
    2   2H    ASP   1          2HT       ASP   1  -5.441  14.476  -0.268
    3   3H    ASP   1          3HT       ASP   1  -4.270  15.564   0.357
    4    HA   ASP   1           HA       ASP   1  -3.342  13.537  -0.594
    5   1HB   ASP   1          2HB       ASP   1  -1.833  13.158   1.337
    6   2HB   ASP   1          1HB       ASP   1  -2.131  14.871   1.051
    7    H    VAL   2           H        VAL   2  -5.127  12.045  -1.027
    8    HA   VAL   2           HA       VAL   2  -6.264  10.389   0.943
    9    HB   VAL   2           HB       VAL   2  -5.847   9.678  -1.961
   10   1HG1  VAL   2          1HG1      VAL   2  -6.546   7.801  -0.597
   11   2HG1  VAL   2          2HG1      VAL   2  -7.872   8.317  -1.638
   12   3HG1  VAL   2          3HG1      VAL   2  -7.873   8.751   0.071
   13   1HG2  VAL   2          1HG2      VAL   2  -7.121  11.921  -1.110
   14   2HG2  VAL   2          2HG2      VAL   2  -8.446  10.757  -1.130
   15   3HG2  VAL   2          3HG2      VAL   2  -7.509  11.052  -2.594
   16    H    MET   3           H        MET   3  -4.951   9.289   2.292
   17    HA   MET   3           HA       MET   3  -2.548   7.999   1.361
   18   1HB   MET   3          2HB       MET   3  -3.939   7.904   4.044
   19   2HB   MET   3          1HB       MET   3  -2.358   7.213   3.705
   20   1HG   MET   3          2HG       MET   3  -1.426   9.372   3.297
   21   2HG   MET   3          1HG       MET   3  -3.016  10.129   3.383
   22   1HE   MET   3          1HE       MET   3  -1.639  11.896   5.396
   23   2HE   MET   3          2HE       MET   3  -0.342  10.881   4.767
   24   3HE   MET   3          3HE       MET   3  -0.568  11.044   6.509
   25    H    TRP   4           H        TRP   4  -2.135   5.704   1.568
   26    HA   TRP   4           HA       TRP   4  -4.528   4.009   1.604
   27   1HB   TRP   4          2HB       TRP   4  -2.503   4.147  -0.624
   28   2HB   TRP   4          1HB       TRP   4  -3.567   2.762  -0.392
   29    HD1  TRP   4           HD       TRP   4  -3.843   6.574  -1.018
   30    HE1  TRP   4           1HE      TRP   4  -5.991   7.000  -2.372
   31    HE3  TRP   4           3HE      TRP   4  -5.682   1.810  -1.131
   32    HZ2  TRP   4           2HZ      TRP   4  -8.178   5.509  -3.356
   33    HZ3  TRP   4           3HZ      TRP   4  -7.808   1.394  -2.292
   34    HH2  TRP   4           HH       TRP   4  -9.029   3.204  -3.384
   35    H    GLU   5           H        GLU   5  -4.227   2.468   3.041
   36    HA   GLU   5           HA       GLU   5  -1.700   1.799   4.138
   37   1HB   GLU   5          2HB       GLU   5  -4.477   1.135   4.609
   38   2HB   GLU   5          1HB       GLU   5  -3.463  -0.296   4.735
   39   1HG   GLU   5          2HG       GLU   5  -2.513   0.388   6.641
   40   2HG   GLU   5          1HG       GLU   5  -2.410   2.065   6.108
   41    H    TYR   6           H        TYR   6  -0.975  -0.551   4.261
   42    HA   TYR   6           HA       TYR   6  -1.546  -2.224   2.007
   43   1HB   TYR   6          2HB       TYR   6   0.371  -2.030   0.743
   44   2HB   TYR   6          1HB       TYR   6   0.138  -0.362   1.242
   45    HD1  TYR   6           1HD      TYR   6   2.039  -3.454   2.010
   46    HD2  TYR   6           2HD      TYR   6   1.820   0.771   2.454
   47    HE1  TYR   6           1HE      TYR   6   4.313  -3.440   2.941
   48    HE2  TYR   6           2HE      TYR   6   4.096   0.794   3.387
   49    HH   TYR   6           HH       TYR   6   6.212  -1.760   3.140
   50    H    LYS   7           H        LYS   7  -1.076  -4.308   2.416
   51    HA   LYS   7           HA       LYS   7   0.656  -4.905   4.714
   52   1HB   LYS   7          2HB       LYS   7  -1.676  -5.151   5.411
   53   2HB   LYS   7          1HB       LYS   7  -1.987  -6.218   4.049
   54   1HG   LYS   7          2HG       LYS   7  -0.041  -7.621   5.128
   55   2HG   LYS   7          1HG       LYS   7  -0.527  -6.747   6.581
   56   1HD   LYS   7          2HD       LYS   7  -2.572  -8.112   4.872
   57   2HD   LYS   7          1HD       LYS   7  -1.633  -9.031   6.048
   58   1HE   LYS   7          2HE       LYS   7  -2.738  -8.154   7.796
   59   2HE   LYS   7          1HE       LYS   7  -2.775  -6.541   7.088
   60   1HZ   LYS   7          1HZ       LYS   7  -4.693  -7.024   5.897
   61   2HZ   LYS   7          2HZ       LYS   7  -4.975  -7.766   7.391
   62   3HZ   LYS   7          3HZ       LYS   7  -4.509  -8.698   6.059
   63    H    TRP   8           H        TRP   8   2.283  -6.196   4.181
   64    HA   TRP   8           HA       TRP   8   2.705  -7.232   1.638
   65   1HB   TRP   8          2HB       TRP   8   3.890  -8.039   4.299
   66   2HB   TRP   8          1HB       TRP   8   4.473  -8.646   2.753
   67    HD1  TRP   8           HD       TRP   8   5.159  -6.006   5.173
   68    HE1  TRP   8           1HE      TRP   8   6.607  -4.145   4.139
   69    HE3  TRP   8           3HE      TRP   8   4.657  -7.232   0.234
   70    HZ2  TRP   8           2HZ      TRP   8   7.427  -3.308   1.572
   71    HZ3  TRP   8           3HZ      TRP   8   5.805  -5.850  -1.446
   72    HH2  TRP   8           HH       TRP   8   7.160  -3.928  -0.790
   73    H    GLU   9           H        GLU   9   1.593  -8.906   4.567
   74    HA   GLU   9           HA       GLU   9   1.034 -11.310   3.022
   75   1HB   GLU   9          2HB       GLU   9   1.836 -10.872   5.641
   76   2HB   GLU   9          1HB       GLU   9   0.145 -11.323   5.801
   77   1HG   GLU   9          2HG       GLU   9   1.669 -13.239   5.969
   78   2HG   GLU   9          1HG       GLU   9   0.531 -13.386   4.631
   79    H    ASN  10           H        ASN  10  -1.148 -12.403   3.996
   80    HA   ASN  10           HA       ASN  10  -3.294 -10.411   3.686
   81   1HB   ASN  10          2HB       ASN  10  -4.577 -12.080   2.391
   82   2HB   ASN  10          1HB       ASN  10  -3.071 -11.641   1.591
   83   1HD2  ASN  10          1HD2      ASN  10  -1.252 -13.106   1.863
   84   2HD2  ASN  10          2HD2      ASN  10  -1.558 -14.800   2.014
   85    H    THR  11           H        THR  11  -2.266 -11.349   6.134
   86    HA   THR  11           HA       THR  11  -4.405 -13.126   7.095
   87    HB   THR  11           HB       THR  11  -2.978 -13.953   8.718
   88    HG1  THR  11           1HG      THR  11  -1.256 -12.848   9.552
   89   1HG2  THR  11          1HG2      THR  11  -1.263 -14.854   7.607
   90   2HG2  THR  11          2HG2      THR  11  -0.656 -13.290   7.062
   91   3HG2  THR  11          3HG2      THR  11  -1.999 -14.060   6.215
   92    H    GLY  12           H        GLY  12  -5.038 -12.705   9.423
   93   1HA   GLY  12          2HA       GLY  12  -5.784  -9.915   9.653
   94   2HA   GLY  12          1HA       GLY  12  -6.313 -11.229  10.695
   95    H    ASP  13           H        ASP  13  -3.048 -11.530  10.464
   96    HA   ASP  13           HA       ASP  13  -2.616  -9.915  12.886
   97   1HB   ASP  13          2HB       ASP  13  -2.038 -12.694  12.275
   98   2HB   ASP  13          1HB       ASP  13  -0.589 -11.832  12.786
   99    H    ALA  14           H        ALA  14  -1.481 -10.684   9.691
  100    HA   ALA  14           HA       ALA  14   1.121  -9.913   9.623
  101   1HB   ALA  14          1HB       ALA  14  -0.010  -8.643   7.391
  102   2HB   ALA  14          2HB       ALA  14  -1.033 -10.037   7.733
  103   3HB   ALA  14          3HB       ALA  14   0.696 -10.257   7.472
  104    H    GLU  15           H        GLU  15   2.263  -7.966   9.288
  105    HA   GLU  15           HA       GLU  15   1.520  -5.826  10.915
  106   1HB   GLU  15          2HB       GLU  15   3.440  -5.546   8.617
  107   2HB   GLU  15          1HB       GLU  15   3.476  -4.736  10.176
  108   1HG   GLU  15          2HG       GLU  15   3.685  -7.315  10.951
  109   2HG   GLU  15          1HG       GLU  15   4.500  -7.371   9.389
  110    H    LEU  16           H        LEU  16   0.595  -3.886  10.548
  111    HA   LEU  16           HA       LEU  16  -0.670  -3.508   7.917
  112   1HB   LEU  16          2HB       LEU  16  -1.840  -3.643  10.401
  113   2HB   LEU  16          1HB       LEU  16  -1.713  -1.915  10.142
  114    HG   LEU  16           HG       LEU  16  -3.884  -2.764   9.418
  115   1HD1  LEU  16          1HD1      LEU  16  -2.566  -2.144   6.840
  116   2HD1  LEU  16          2HD1      LEU  16  -2.405  -0.963   8.140
  117   3HD1  LEU  16          3HD1      LEU  16  -4.006  -1.445   7.577
  118   1HD2  LEU  16          1HD2      LEU  16  -3.472  -4.111   7.073
  119   2HD2  LEU  16          2HD2      LEU  16  -3.896  -4.853   8.616
  120   3HD2  LEU  16          3HD2      LEU  16  -2.207  -4.770   8.111
  121    H    TYR  17           H        TYR  17   0.482  -2.129   6.737
  122    HA   TYR  17           HA       TYR  17   1.340   0.393   7.996
  123   1HB   TYR  17          2HB       TYR  17   2.822  -1.142   5.847
  124   2HB   TYR  17          1HB       TYR  17   3.306   0.407   6.521
  125    HD1  TYR  17           1HD      TYR  17   3.705   0.453   9.098
  126    HD2  TYR  17           2HD      TYR  17   3.682  -3.093   6.748
  127    HE1  TYR  17           1HE      TYR  17   5.016  -0.695  10.830
  128    HE2  TYR  17           2HE      TYR  17   4.990  -4.253   8.474
  129    HH   TYR  17           HH       TYR  17   5.445  -2.999  11.592
  130    H    GLY  18           H        GLY  18   2.249   1.633   5.664
  131   1HA   GLY  18          2HA       GLY  18   1.578   2.435   3.581
  132   2HA   GLY  18          1HA       GLY  18   0.089   1.535   3.745
  133    HA   PRO  19           HA       PRO  19  -1.263   5.323   6.055
  134   1HB   PRO  19          2HB       PRO  19   0.174   6.476   7.978
  135   2HB   PRO  19          1HB       PRO  19  -0.564   4.889   8.236
  136   1HG   PRO  19          2HG       PRO  19   2.270   5.572   7.554
  137   2HG   PRO  19          1HG       PRO  19   1.654   4.383   8.716
  138   1HD   PRO  19          2HD       PRO  19   2.506   3.779   6.160
  139   2HD   PRO  19          1HD       PRO  19   1.386   2.786   7.111
  140    H    PHE  20           H        PHE  20   0.883   5.419   3.889
  141    HA   PHE  20           HA       PHE  20   1.757   8.196   4.053
  142   1HB   PHE  20          2HB       PHE  20   2.404   6.426   1.736
  143   2HB   PHE  20          1HB       PHE  20   3.376   7.688   2.485
  144    HD1  PHE  20           1HD      PHE  20   4.852   7.205   4.293
  145    HD2  PHE  20           2HD      PHE  20   2.246   4.200   2.776
  146    HE1  PHE  20           1HE      PHE  20   6.093   5.493   5.553
  147    HE2  PHE  20           2HE      PHE  20   3.483   2.486   4.037
  148    HZ   PHE  20           HZ       PHE  20   5.407   3.135   5.425
  149    H    THR  21           H        THR  21   1.625   9.462   1.976
  150    HA   THR  21           HA       THR  21  -1.098   9.690   1.197
  151    HB   THR  21           HB       THR  21  -0.426  11.559  -0.090
  152    HG1  THR  21           1HG      THR  21   1.403  11.652  -1.128
  153   1HG2  THR  21          1HG2      THR  21   1.811  12.127   1.550
  154   2HG2  THR  21          2HG2      THR  21   0.611  11.276   2.523
  155   3HG2  THR  21          3HG2      THR  21   0.166  12.752   1.666
  156    H    SER  22           H        SER  22  -2.081   9.301  -0.790
  157    HA   SER  22           HA       SER  22  -1.614   6.948  -2.085
  158   1HB   SER  22          2HB       SER  22  -2.646   8.385  -4.145
  159   2HB   SER  22          1HB       SER  22  -3.613   7.777  -2.802
  160    HG   SER  22           HG       SER  22  -3.946  10.017  -3.198
  161    H    ALA  23           H        ALA  23  -0.109  10.042  -2.651
  162    HA   ALA  23           HA       ALA  23   1.161   9.516  -5.094
  163   1HB   ALA  23          1HB       ALA  23   2.383  11.220  -2.949
  164   2HB   ALA  23          2HB       ALA  23   0.911  11.722  -3.781
  165   3HB   ALA  23          3HB       ALA  23   2.394  11.457  -4.697
  166    H    GLN  24           H        GLN  24   2.486   9.332  -1.781
  167    HA   GLN  24           HA       GLN  24   4.951   8.217  -2.468
  168   1HB   GLN  24          2HB       GLN  24   4.122   9.174  -0.205
  169   2HB   GLN  24          1HB       GLN  24   3.547   7.541   0.101
  170   1HG   GLN  24          2HG       GLN  24   5.698   7.820   1.112
  171   2HG   GLN  24          1HG       GLN  24   5.842   6.704  -0.246
  172   1HE2  GLN  24          1HE2      GLN  24   8.013   7.060  -0.549
  173   2HE2  GLN  24          2HE2      GLN  24   8.646   8.545  -1.165
  174    H    MET  25           H        MET  25   1.824   6.775  -1.994
  175    HA   MET  25           HA       MET  25   2.728   4.066  -1.918
  176   1HB   MET  25          2HB       MET  25   0.055   5.387  -2.289
  177   2HB   MET  25          1HB       MET  25   0.234   3.656  -2.540
  178   1HG   MET  25          2HG       MET  25   0.857   5.154  -0.005
  179   2HG   MET  25          1HG       MET  25  -0.560   4.149  -0.301
  180   1HE   MET  25          1HE       MET  25  -0.077   1.532  -1.295
  181   2HE   MET  25          2HE       MET  25   1.454   0.704  -1.011
  182   3HE   MET  25          3HE       MET  25   1.366   2.016  -2.188
  183    H    GLN  26           H        GLN  26   1.436   6.213  -4.409
  184    HA   GLN  26           HA       GLN  26   1.268   4.386  -6.511
  185   1HB   GLN  26          2HB       GLN  26   1.396   7.317  -6.228
  186   2HB   GLN  26          1HB       GLN  26   1.964   6.709  -7.778
  187   1HG   GLN  26          2HG       GLN  26  -0.182   6.819  -8.369
  188   2HG   GLN  26          1HG       GLN  26  -0.336   5.311  -7.472
  189   1HE2  GLN  26          1HE2      GLN  26  -1.408   5.282  -5.543
  190   2HE2  GLN  26          2HE2      GLN  26  -2.302   6.628  -4.935
  191    H    THR  27           H        THR  27   3.986   6.262  -5.292
  192    HA   THR  27           HA       THR  27   5.795   5.678  -7.370
  193    HB   THR  27           HB       THR  27   6.376   6.307  -4.469
  194    HG1  THR  27           1HG      THR  27   6.203   8.035  -6.711
  195   1HG2  THR  27          1HG2      THR  27   8.272   7.345  -6.353
  196   2HG2  THR  27          2HG2      THR  27   8.170   5.589  -6.476
  197   3HG2  THR  27          3HG2      THR  27   8.536   6.344  -4.926
  198    H    TRP  28           H        TRP  28   5.631   4.293  -4.082
  199    HA   TRP  28           HA       TRP  28   7.485   2.262  -4.450
  200   1HB   TRP  28          2HB       TRP  28   5.112   2.559  -2.631
  201   2HB   TRP  28          1HB       TRP  28   6.088   1.095  -2.608
  202    HD1  TRP  28           HD       TRP  28   8.972   2.381  -2.852
  203    HE1  TRP  28           1HE      TRP  28   9.942   3.721  -0.880
  204    HE3  TRP  28           3HE      TRP  28   4.618   3.550  -0.442
  205    HZ2  TRP  28           2HZ      TRP  28   8.989   5.092   1.396
  206    HZ3  TRP  28           3HZ      TRP  28   4.733   4.880   1.625
  207    HH2  TRP  28           HH       TRP  28   6.875   5.633   2.525
  208    H    VAL  29           H        VAL  29   3.994   2.254  -5.025
  209    HA   VAL  29           HA       VAL  29   3.783  -0.474  -5.724
  210    HB   VAL  29           HB       VAL  29   2.034   1.876  -6.464
  211   1HG1  VAL  29          1HG1      VAL  29   0.335  -0.118  -6.690
  212   2HG1  VAL  29          2HG1      VAL  29   1.798  -1.029  -7.065
  213   3HG1  VAL  29          3HG1      VAL  29   1.352   0.368  -8.046
  214   1HG2  VAL  29          1HG2      VAL  29   1.476  -0.266  -4.434
  215   2HG2  VAL  29          2HG2      VAL  29   0.684   1.298  -4.631
  216   3HG2  VAL  29          3HG2      VAL  29   2.337   1.216  -4.023
  217    H    SER  30           H        SER  30   4.709   2.373  -7.515
  218    HA   SER  30           HA       SER  30   4.618   0.928 -10.050
  219   1HB   SER  30          2HB       SER  30   4.998   3.811  -9.298
  220   2HB   SER  30          1HB       SER  30   5.463   3.240 -10.901
  221    HG   SER  30           HG       SER  30   3.016   3.809  -9.956
  222    H    GLU  31           H        GLU  31   6.905   2.133  -7.702
  223    HA   GLU  31           HA       GLU  31   9.238   2.128  -9.228
  224   1HB   GLU  31          2HB       GLU  31   8.589   2.499  -6.539
  225   2HB   GLU  31          1HB       GLU  31   9.701   1.139  -6.537
  226   1HG   GLU  31          2HG       GLU  31  10.272   3.740  -7.930
  227   2HG   GLU  31          1HG       GLU  31  10.745   3.399  -6.266
  228    H    GLY  32           H        GLY  32   7.696  -0.512  -7.429
  229   1HA   GLY  32          2HA       GLY  32   7.855  -2.680  -8.737
  230   2HA   GLY  32          1HA       GLY  32   9.585  -2.379  -8.717
  231    H    TYR  33           H        TYR  33   8.572  -1.254  -5.825
  232    HA   TYR  33           HA       TYR  33   9.777  -3.226  -4.297
  233   1HB   TYR  33          2HB       TYR  33   7.885  -0.997  -3.712
  234   2HB   TYR  33          1HB       TYR  33   8.160  -2.197  -2.455
  235    HD1  TYR  33           1HD      TYR  33   9.858   0.280  -4.626
  236    HD2  TYR  33           2HD      TYR  33  10.128  -2.161  -1.152
  237    HE1  TYR  33           1HE      TYR  33  11.921   1.448  -3.974
  238    HE2  TYR  33           2HE      TYR  33  12.192  -1.000  -0.489
  239    HH   TYR  33           HH       TYR  33  13.120   1.825  -1.504
  240    H    PHE  34           H        PHE  34   6.486  -2.983  -5.451
  241    HA   PHE  34           HA       PHE  34   5.830  -5.493  -4.056
  242   1HB   PHE  34          2HB       PHE  34   3.751  -3.729  -5.308
  243   2HB   PHE  34          1HB       PHE  34   3.586  -4.861  -3.971
  244    HD1  PHE  34           1HD      PHE  34   2.736  -1.870  -4.245
  245    HD2  PHE  34           2HD      PHE  34   6.042  -3.840  -2.427
  246    HE1  PHE  34           1HE      PHE  34   2.967  -0.010  -2.653
  247    HE2  PHE  34           2HE      PHE  34   6.278  -1.982  -0.832
  248    HZ   PHE  34           HZ       PHE  34   4.739  -0.062  -0.947
  249    HA   PRO  35           HA       PRO  35   6.267  -6.599  -8.538
  250   1HB   PRO  35          2HB       PRO  35   7.333  -9.058  -8.053
  251   2HB   PRO  35          1HB       PRO  35   8.304  -7.586  -8.169
  252   1HG   PRO  35          2HG       PRO  35   7.319  -9.021  -5.732
  253   2HG   PRO  35          1HG       PRO  35   8.914  -8.310  -6.044
  254   1HD   PRO  35          2HD       PRO  35   7.049  -7.060  -4.544
  255   2HD   PRO  35          1HD       PRO  35   8.191  -6.168  -5.569
  256    H    ASP  36           H        ASP  36   4.766  -8.076  -5.774
  257    HA   ASP  36           HA       ASP  36   3.032  -9.634  -7.565
  258   1HB   ASP  36          2HB       ASP  36   4.339 -11.074  -6.102
  259   2HB   ASP  36          1HB       ASP  36   3.796 -10.172  -4.691
  260    H    GLY  37           H        GLY  37   3.126  -6.929  -5.597
  261   1HA   GLY  37          2HA       GLY  37   1.286  -5.482  -5.311
  262   2HA   GLY  37          1HA       GLY  37   0.205  -6.854  -5.514
  263    H    VAL  38           H        VAL  38  -0.058  -4.961  -3.456
  264    HA   VAL  38           HA       VAL  38   0.438  -6.684  -1.133
  265    HB   VAL  38           HB       VAL  38   0.730  -4.577   0.230
  266   1HG1  VAL  38          1HG1      VAL  38   2.831  -5.153  -1.858
  267   2HG1  VAL  38          2HG1      VAL  38   2.595  -6.057  -0.363
  268   3HG1  VAL  38          3HG1      VAL  38   3.097  -4.367  -0.302
  269   1HG2  VAL  38          1HG2      VAL  38   1.417  -2.557  -0.897
  270   2HG2  VAL  38          2HG2      VAL  38  -0.175  -3.036  -1.487
  271   3HG2  VAL  38          3HG2      VAL  38   1.258  -3.338  -2.470
  272    H    TYR  39           H        TYR  39  -0.990  -6.229   0.704
  273    HA   TYR  39           HA       TYR  39  -3.697  -5.989  -0.150
  274   1HB   TYR  39          2HB       TYR  39  -2.265  -6.863   2.190
  275   2HB   TYR  39          1HB       TYR  39  -3.571  -5.788   2.665
  276    HD1  TYR  39           1HD      TYR  39  -3.216  -8.438   0.051
  277    HD2  TYR  39           2HD      TYR  39  -5.400  -6.981   3.397
  278    HE1  TYR  39           1HE      TYR  39  -4.814 -10.292  -0.193
  279    HE2  TYR  39           2HE      TYR  39  -7.005  -8.830   3.163
  280    HH   TYR  39           HH       TYR  39  -7.024 -11.139   2.186
  281    H    CYS  40           H        CYS  40  -3.640  -3.864  -1.081
  282    HA   CYS  40           HA       CYS  40  -3.227  -1.618   0.697
  283   1HB   CYS  40          2HB       CYS  40  -3.520  -1.998  -2.217
  284   2HB   CYS  40          1HB       CYS  40  -4.121  -0.473  -1.578
  285    HG   CYS  40           HG       CYS  40  -1.533  -0.402  -2.300
  286    H    ARG  41           H        ARG  41  -4.745  -0.056   1.211
  287    HA   ARG  41           HA       ARG  41  -7.442  -0.089   0.430
  288   1HB   ARG  41          2HB       ARG  41  -7.938  -1.976   1.673
  289   2HB   ARG  41          1HB       ARG  41  -6.701  -1.638   2.875
  290   1HG   ARG  41          2HG       ARG  41  -8.094  -0.454   4.163
  291   2HG   ARG  41          1HG       ARG  41  -8.877   0.319   2.785
  292   1HD   ARG  41          2HD       ARG  41  -9.900  -2.051   2.402
  293   2HD   ARG  41          1HD       ARG  41  -9.496  -2.289   4.102
  294    HE   ARG  41           HE       ARG  41 -10.823   0.056   4.129
  295   1HH1  ARG  41          1HH1      ARG  41 -11.578  -3.059   2.753
  296   2HH1  ARG  41          2HH1      ARG  41 -13.289  -2.860   2.924
  297   1HH2  ARG  41          1HH2      ARG  41 -13.074   0.319   4.358
  298   2HH2  ARG  41          2HH2      ARG  41 -14.138  -0.943   3.835
  299    H    LYS  42           H        LYS  42  -8.447   1.786   1.078
  300    HA   LYS  42           HA       LYS  42  -6.893   3.919   1.967
  301   1HB   LYS  42          2HB       LYS  42  -9.818   3.422   1.638
  302   2HB   LYS  42          1HB       LYS  42  -9.311   4.851   2.520
  303   1HG   LYS  42          2HG       LYS  42  -7.932   5.508   0.564
  304   2HG   LYS  42          1HG       LYS  42  -8.608   4.134  -0.314
  305   1HD   LYS  42          2HD       LYS  42 -10.766   5.583   0.828
  306   2HD   LYS  42          1HD       LYS  42  -9.701   6.741   0.029
  307   1HE   LYS  42          2HE       LYS  42  -9.845   5.539  -2.039
  308   2HE   LYS  42          1HE       LYS  42 -10.724   4.221  -1.267
  309   1HZ   LYS  42          1HZ       LYS  42 -12.647   5.401  -1.226
  310   2HZ   LYS  42          2HZ       LYS  42 -11.953   6.110  -2.596
  311   3HZ   LYS  42          3HZ       LYS  42 -11.877   6.903  -1.104
  312    H    LEU  43           H        LEU  43  -6.265   4.575   3.902
  313    HA   LEU  43           HA       LEU  43  -6.339   3.104   6.191
  314   1HB   LEU  43          2HB       LEU  43  -6.409   6.105   6.299
  315   2HB   LEU  43          1HB       LEU  43  -5.563   4.996   7.362
  316    HG   LEU  43           HG       LEU  43  -4.847   5.602   4.491
  317   1HD1  LEU  43          1HD1      LEU  43  -2.798   6.527   5.514
  318   2HD1  LEU  43          2HD1      LEU  43  -3.532   6.305   7.102
  319   3HD1  LEU  43          3HD1      LEU  43  -4.259   7.414   5.941
  320   1HD2  LEU  43          1HD2      LEU  43  -3.362   3.865   6.452
  321   2HD2  LEU  43          2HD2      LEU  43  -2.986   4.138   4.751
  322   3HD2  LEU  43          3HD2      LEU  43  -4.434   3.238   5.200
  323    H    ASP  44           H        ASP  44  -8.761   5.404   5.089
  324    HA   ASP  44           HA       ASP  44 -10.448   4.618   7.372
  325   1HB   ASP  44          2HB       ASP  44  -9.646   7.072   7.171
  326   2HB   ASP  44          1HB       ASP  44 -10.809   7.186   5.855
  327    HA   PRO  45           HA       PRO  45 -12.140   3.817   7.959
  328   1HB   PRO  45          2HB       PRO  45 -13.413   1.296   7.311
  329   2HB   PRO  45          1HB       PRO  45 -14.085   2.683   8.169
  330   1HG   PRO  45          2HG       PRO  45 -14.909   1.899   5.689
  331   2HG   PRO  45          1HG       PRO  45 -15.009   3.569   6.274
  332   1HD   PRO  45          2HD       PRO  45 -12.980   2.310   4.464
  333   2HD   PRO  45          1HD       PRO  45 -13.743   3.914   4.362
  334    HA   PRO  46           HA       PRO  46  -8.635   1.055   7.816
  335   1HB   PRO  46          2HB       PRO  46  -8.045   1.008  10.422
  336   2HB   PRO  46          1HB       PRO  46  -7.822   2.475   9.459
  337   1HG   PRO  46          2HG       PRO  46 -10.036   1.762  11.340
  338   2HG   PRO  46          1HG       PRO  46  -9.202   3.311  11.129
  339   1HD   PRO  46          2HD       PRO  46 -11.652   2.692  10.023
  340   2HD   PRO  46          1HD       PRO  46 -10.547   3.927   9.389
  341    H    GLY  47           H        GLY  47  -8.749  -1.085   7.530
  342   1HA   GLY  47          2HA       GLY  47  -8.915  -3.308   8.275
  343   2HA   GLY  47          1HA       GLY  47  -9.877  -2.755   9.637
  344    H    GLY  48           H        GLY  48  -9.913  -3.986   6.432
  345   1HA   GLY  48          2HA       GLY  48 -12.610  -4.796   6.597
  346   2HA   GLY  48          1HA       GLY  48 -12.510  -3.342   5.615
  347    H    GLN  49           H        GLN  49 -13.299  -4.618   3.850
  348    HA   GLN  49           HA       GLN  49 -11.917  -6.877   2.857
  349   1HB   GLN  49          2HB       GLN  49 -13.770  -4.930   1.479
  350   2HB   GLN  49          1HB       GLN  49 -13.184  -6.420   0.751
  351   1HG   GLN  49          2HG       GLN  49 -14.186  -7.508   2.910
  352   2HG   GLN  49          1HG       GLN  49 -15.143  -6.028   2.956
  353   1HE2  GLN  49          1HE2      GLN  49 -16.944  -5.977   1.808
  354   2HE2  GLN  49          2HE2      GLN  49 -17.375  -7.081   0.550
  355    H    PHE  50           H        PHE  50  -9.736  -5.982   3.106
  356    HA   PHE  50           HA       PHE  50  -8.575  -3.880   1.838
  357   1HB   PHE  50          2HB       PHE  50  -7.641  -6.572   2.627
  358   2HB   PHE  50          1HB       PHE  50  -6.630  -5.725   1.460
  359    HD1  PHE  50           1HD      PHE  50  -5.403  -3.760   2.075
  360    HD2  PHE  50           2HD      PHE  50  -7.959  -5.690   4.875
  361    HE1  PHE  50           1HE      PHE  50  -4.377  -2.464   3.897
  362    HE2  PHE  50           2HE      PHE  50  -6.941  -4.396   6.703
  363    HZ   PHE  50           HZ       PHE  50  -5.147  -2.780   6.215
  364    H    TYR  51           H        TYR  51  -7.120  -3.881  -0.110
  365    HA   TYR  51           HA       TYR  51  -8.132  -5.517  -2.315
  366   1HB   TYR  51          2HB       TYR  51  -8.483  -2.603  -1.994
  367   2HB   TYR  51          1HB       TYR  51  -7.890  -3.114  -3.571
  368    HD1  TYR  51           1HD      TYR  51 -10.752  -2.821  -1.431
  369    HD2  TYR  51           2HD      TYR  51  -9.244  -4.828  -4.864
  370    HE1  TYR  51           1HE      TYR  51 -13.049  -3.392  -2.097
  371    HE2  TYR  51           2HE      TYR  51 -11.537  -5.406  -5.541
  372    HH   TYR  51           HH       TYR  51 -14.078  -4.051  -4.778
  373    H    ASN  52           H        ASN  52  -6.532  -6.266  -3.536
  374    HA   ASN  52           HA       ASN  52  -3.839  -5.819  -2.972
  375   1HB   ASN  52          2HB       ASN  52  -4.747  -7.813  -4.158
  376   2HB   ASN  52          1HB       ASN  52  -4.997  -6.812  -5.584
  377   1HD2  ASN  52          1HD2      ASN  52  -3.467  -9.034  -5.765
  378   2HD2  ASN  52          2HD2      ASN  52  -1.806  -8.603  -5.969
  379    H    SER  53           H        SER  53  -2.378  -4.352  -3.616
  380    HA   SER  53           HA       SER  53  -3.083  -1.915  -4.718
  381   1HB   SER  53          2HB       SER  53  -0.591  -1.669  -5.185
  382   2HB   SER  53          1HB       SER  53  -1.029  -2.060  -3.522
  383    HG   SER  53           HG       SER  53   0.726  -3.327  -4.481
  384    H    LYS  54           H        LYS  54  -2.225  -4.892  -6.308
  385    HA   LYS  54           HA       LYS  54  -1.820  -3.687  -8.889
  386   1HB   LYS  54          2HB       LYS  54  -1.897  -6.478  -7.823
  387   2HB   LYS  54          1HB       LYS  54  -2.071  -6.226  -9.555
  388   1HG   LYS  54          2HG       LYS  54   0.066  -5.074  -9.625
  389   2HG   LYS  54          1HG       LYS  54   0.235  -5.256  -7.877
  390   1HD   LYS  54          2HD       LYS  54   0.232  -7.694  -8.138
  391   2HD   LYS  54          1HD       LYS  54   0.074  -7.505  -9.886
  392   1HE   LYS  54          2HE       LYS  54   2.306  -6.042  -8.638
  393   2HE   LYS  54          1HE       LYS  54   2.431  -7.800  -8.598
  394   1HZ   LYS  54          1HZ       LYS  54   3.247  -6.335 -10.646
  395   2HZ   LYS  54          2HZ       LYS  54   1.657  -6.623 -11.142
  396   3HZ   LYS  54          3HZ       LYS  54   2.690  -7.922 -10.819
  397    H    ARG  55           H        ARG  55  -4.550  -4.157  -7.091
  398    HA   ARG  55           HA       ARG  55  -6.212  -4.522  -9.494
  399   1HB   ARG  55          2HB       ARG  55  -6.277  -6.288  -7.600
  400   2HB   ARG  55          1HB       ARG  55  -7.194  -5.079  -6.712
  401   1HG   ARG  55          2HG       ARG  55  -8.833  -5.019  -8.558
  402   2HG   ARG  55          1HG       ARG  55  -7.936  -6.310  -9.357
  403   1HD   ARG  55          2HD       ARG  55  -9.054  -6.547  -6.572
  404   2HD   ARG  55          1HD       ARG  55  -9.940  -7.040  -8.015
  405    HE   ARG  55           HE       ARG  55  -7.375  -8.244  -7.949
  406   1HH1  ARG  55          1HH1      ARG  55 -10.544  -8.440  -6.498
  407   2HH1  ARG  55          2HH1      ARG  55 -10.409 -10.127  -6.133
  408   1HH2  ARG  55          1HH2      ARG  55  -7.197 -10.464  -7.468
  409   2HH2  ARG  55          2HH2      ARG  55  -8.509 -11.276  -6.683
  410    H    ILE  56           H        ILE  56  -5.122  -2.173  -7.560
  411    HA   ILE  56           HA       ILE  56  -7.680  -0.753  -7.347
  412    HB   ILE  56           HB       ILE  56  -4.986  -0.084  -6.157
  413   1HG1  ILE  56          2HG1      ILE  56  -7.521  -1.242  -4.992
  414   2HG1  ILE  56          1HG1      ILE  56  -5.925  -1.982  -5.036
  415   1HG2  ILE  56          1HG2      ILE  56  -6.172   1.662  -4.910
  416   2HG2  ILE  56          2HG2      ILE  56  -7.650   1.286  -5.796
  417   3HG2  ILE  56          3HG2      ILE  56  -6.251   1.938  -6.650
  418   1HD1  ILE  56          1HD1      ILE  56  -5.646   0.462  -3.675
  419   2HD1  ILE  56          2HD1      ILE  56  -5.539  -1.173  -3.019
  420   3HD1  ILE  56          3HD1      ILE  56  -7.087  -0.326  -3.034
  421    H    ASP  57           H        ASP  57  -7.902   1.375  -8.161
  422    HA   ASP  57           HA       ASP  57  -6.081   1.965 -10.397
  423   1HB   ASP  57          2HB       ASP  57  -8.627   1.455 -10.732
  424   2HB   ASP  57          1HB       ASP  57  -8.841   3.114 -10.183
  425    H    PHE  58           H        PHE  58  -4.606   3.186  -9.220
  426    HA   PHE  58           HA       PHE  58  -5.292   5.284  -7.466
  427   1HB   PHE  58          2HB       PHE  58  -2.765   4.732  -9.025
  428   2HB   PHE  58          1HB       PHE  58  -2.908   6.005  -7.818
  429    HD1  PHE  58           1HD      PHE  58  -4.455   4.706  -5.711
  430    HD2  PHE  58           2HD      PHE  58  -1.310   3.175  -8.136
  431    HE1  PHE  58           1HE      PHE  58  -3.878   3.098  -3.941
  432    HE2  PHE  58           2HE      PHE  58  -0.729   1.563  -6.371
  433    HZ   PHE  58           HZ       PHE  58  -2.011   1.522  -4.270
  434    H    ASP  59           H        ASP  59  -5.390   5.092 -10.869
  435    HA   ASP  59           HA       ASP  59  -4.873   7.827 -11.469
  436   1HB   ASP  59          2HB       ASP  59  -4.714   5.921 -13.103
  437   2HB   ASP  59          1HB       ASP  59  -6.474   5.869 -13.120
  438    H    LEU  60           H        LEU  60  -7.609   6.168 -10.218
  439    HA   LEU  60           HA       LEU  60  -9.415   8.317 -10.983
  440   1HB   LEU  60          2HB       LEU  60 -10.243   5.939  -9.371
  441   2HB   LEU  60          1HB       LEU  60 -11.200   6.913 -10.473
  442    HG   LEU  60           HG       LEU  60  -9.072   4.921 -11.255
  443   1HD1  LEU  60          1HD1      LEU  60 -12.060   4.857 -11.645
  444   2HD1  LEU  60          2HD1      LEU  60 -11.170   3.927 -10.439
  445   3HD1  LEU  60          3HD1      LEU  60 -10.905   3.627 -12.157
  446   1HD2  LEU  60          1HD2      LEU  60 -10.503   7.029 -12.757
  447   2HD2  LEU  60          2HD2      LEU  60 -10.342   5.458 -13.541
  448   3HD2  LEU  60          3HD2      LEU  60  -8.904   6.334 -13.018
  449    H    TYR  61           H        TYR  61  -7.281   8.711  -9.028
  450    HA   TYR  61           HA       TYR  61  -8.958   9.668  -6.829
  451   1HB   TYR  61          2HB       TYR  61  -6.436   8.036  -6.521
  452   2HB   TYR  61          1HB       TYR  61  -7.149   8.975  -5.214
  453    HD1  TYR  61           1HD      TYR  61  -6.890   5.785  -6.458
  454    HD2  TYR  61           2HD      TYR  61  -9.843   8.497  -5.036
  455    HE1  TYR  61           1HE      TYR  61  -8.358   3.889  -5.911
  456    HE2  TYR  61           2HE      TYR  61 -11.319   6.609  -4.484
  457    HH   TYR  61           HH       TYR  61 -11.030   4.143  -3.940
  458    H    THR  62           H        THR  62  -5.723   9.709  -8.298
  459    HA   THR  62           HA       THR  62  -4.769  12.023  -7.066
  460    HB   THR  62           HB       THR  62  -3.812  11.882  -9.774
  461    HG1  THR  62           1HG      THR  62  -3.105   9.716  -9.726
  462   1HG2  THR  62          1HG2      THR  62  -1.895  12.187  -8.731
  463   2HG2  THR  62          2HG2      THR  62  -2.047  10.631  -7.916
  464   3HG2  THR  62          3HG2      THR  62  -2.747  12.078  -7.191
  465   1H    SER  63          1HT       SER  63  14.531   4.648  -9.856
  466   2H    SER  63          2HT       SER  63  13.950   5.890 -10.887
  467   3H    SER  63          3HT       SER  63  13.590   5.926  -9.210
  468    HA   SER  63           HA       SER  63  16.297   6.084 -10.349
  469   1HB   SER  63          2HB       SER  63  15.154   8.047 -11.056
  470   2HB   SER  63          1HB       SER  63  14.310   8.201  -9.515
  471    HG   SER  63           HG       SER  63  17.126   8.362  -9.729
  472    H    HIS  64           H        HIS  64  14.498   7.433  -7.590
  473    HA   HIS  64           HA       HIS  64  16.242   5.963  -5.755
  474   1HB   HIS  64          2HB       HIS  64  16.317   8.229  -4.419
  475   2HB   HIS  64          1HB       HIS  64  17.473   7.915  -5.709
  476    HD1  HIS  64           1HD      HIS  64  17.851  10.056  -6.880
  477    HD2  HIS  64           2HD      HIS  64  13.840   9.499  -5.945
  478    HE1  HIS  64           1HE      HIS  64  16.648  12.028  -7.876
  479    HE2  HIS  64           2HE      HIS  64  14.212  11.616  -7.383
  480    H    ARG  65           H        ARG  65  15.236   5.260  -3.963
  481    HA   ARG  65           HA       ARG  65  12.923   6.538  -2.868
  482   1HB   ARG  65          2HB       ARG  65  12.238   5.041  -4.951
  483   2HB   ARG  65          1HB       ARG  65  12.351   3.752  -3.763
  484   1HG   ARG  65          2HG       ARG  65  10.068   4.635  -4.042
  485   2HG   ARG  65          1HG       ARG  65  10.676   4.785  -2.394
  486   1HD   ARG  65          2HD       ARG  65   9.467   6.796  -3.184
  487   2HD   ARG  65          1HD       ARG  65  11.136   7.126  -2.723
  488    HE   ARG  65           HE       ARG  65  11.321   6.702  -5.380
  489   1HH1  ARG  65          1HH1      ARG  65   9.262   8.754  -3.450
  490   2HH1  ARG  65          2HH1      ARG  65   9.092   9.955  -4.684
  491   1HH2  ARG  65          1HH2      ARG  65  11.098   8.280  -7.006
  492   2HH2  ARG  65          2HH2      ARG  65  10.133   9.687  -6.704
  493    HA   PRO  66           HA       PRO  66  14.611   4.343   0.595
  494   1HB   PRO  66          2HB       PRO  66  12.747   4.916   2.442
  495   2HB   PRO  66          1HB       PRO  66  13.855   6.143   1.817
  496   1HG   PRO  66          2HG       PRO  66  10.998   5.631   1.110
  497   2HG   PRO  66          1HG       PRO  66  11.840   7.175   1.323
  498   1HD   PRO  66          2HD       PRO  66  11.306   6.019  -1.117
  499   2HD   PRO  66          1HD       PRO  66  12.616   7.178  -0.828
  500    HA   PRO  67           HA       PRO  67  12.410   0.531   1.091
  501   1HB   PRO  67          2HB       PRO  67  13.296  -0.343   3.452
  502   2HB   PRO  67          1HB       PRO  67  14.400  -0.099   2.095
  503   1HG   PRO  67          2HG       PRO  67  13.971   1.580   4.515
  504   2HG   PRO  67          1HG       PRO  67  15.460   1.278   3.606
  505   1HD   PRO  67          2HD       PRO  67  13.792   3.537   3.389
  506   2HD   PRO  67          1HD       PRO  67  15.103   3.088   2.286
  507    HA   PRO  68           HA       PRO  68   8.629   1.911   3.240
  508   1HB   PRO  68          2HB       PRO  68   7.694  -0.677   2.120
  509   2HB   PRO  68          1HB       PRO  68   6.960   0.927   2.013
  510   1HG   PRO  68          2HG       PRO  68   8.185  -0.162  -0.091
  511   2HG   PRO  68          1HG       PRO  68   8.312   1.574   0.249
  512   1HD   PRO  68          2HD       PRO  68  10.306  -0.601   0.718
  513   2HD   PRO  68          1HD       PRO  68  10.566   1.073   0.182
  514    HA   PRO  69           HA       PRO  69   8.653  -0.508   6.925
  515   1HB   PRO  69          2HB       PRO  69   5.979  -0.861   7.448
  516   2HB   PRO  69          1HB       PRO  69   6.876   0.612   7.809
  517   1HG   PRO  69          2HG       PRO  69   5.047   0.011   5.537
  518   2HG   PRO  69          1HG       PRO  69   5.287   1.527   6.417
  519   1HD   PRO  69          2HD       PRO  69   6.327   1.051   3.948
  520   2HD   PRO  69          1HD       PRO  69   7.092   2.131   5.130
  521    H    GLY  70           H        GLY  70   7.543  -2.512   7.972
  522   1HA   GLY  70          2HA       GLY  70   6.835  -4.718   7.826
  523   2HA   GLY  70          1HA       GLY  70   6.590  -4.497   6.101
  524    H    HIS  71           H        HIS  71   8.528  -4.479   4.732
  525    HA   HIS  71           HA       HIS  71  10.277  -5.688   3.906
  526   1HB   HIS  71          2HB       HIS  71  12.351  -5.169   4.907
  527   2HB   HIS  71          1HB       HIS  71  11.305  -3.822   5.300
  528    HD1  HIS  71           1HD      HIS  71  12.532  -3.117   7.312
  529    HD2  HIS  71           2HD      HIS  71  11.415  -7.089   7.549
  530    HE1  HIS  71           1HE      HIS  71  12.988  -3.791   9.690
  531    HE2  HIS  71           2HE      HIS  71  12.203  -6.180   9.832
  532    H    ARG  72           H        ARG  72  12.269  -7.194   5.059
  533    HA   ARG  72           HA       ARG  72  11.224  -9.114   6.867
  534   1HB   ARG  72          2HB       ARG  72  11.426 -11.041   5.194
  535   2HB   ARG  72          1HB       ARG  72   9.996 -10.025   5.073
  536   1HG   ARG  72          2HG       ARG  72  11.799  -8.793   3.389
  537   2HG   ARG  72          1HG       ARG  72  12.102 -10.514   3.140
  538   1HD   ARG  72          2HD       ARG  72   9.331  -9.348   3.106
  539   2HD   ARG  72          1HD       ARG  72  10.341  -9.413   1.662
  540    HE   ARG  72           HE       ARG  72   8.935 -11.583   2.872
  541   1HH1  ARG  72          1HH1      ARG  72  11.773 -10.763   1.013
  542   2HH1  ARG  72          2HH1      ARG  72  11.912 -12.335   0.300
  543   1HH2  ARG  72          1HH2      ARG  72   9.117 -13.650   1.934
  544   2HH2  ARG  72          2HH2      ARG  72  10.404 -13.974   0.822
  545    H    VAL  73           H        VAL  73  13.237  -8.194   7.713
  546    HA   VAL  73           HA       VAL  73  15.681  -9.241   6.501
  547    HB   VAL  73           HB       VAL  73  15.763  -6.914   7.138
  548   1HG1  VAL  73          1HG1      VAL  73  15.723  -7.045   9.980
  549   2HG1  VAL  73          2HG1      VAL  73  14.240  -7.772   9.363
  550   3HG1  VAL  73          3HG1      VAL  73  14.675  -6.128   8.900
  551   1HG2  VAL  73          1HG2      VAL  73  17.851  -6.968   8.018
  552   2HG2  VAL  73          2HG2      VAL  73  17.677  -8.693   7.697
  553   3HG2  VAL  73          3HG2      VAL  73  17.394  -8.065   9.320
  Start of MODEL   12
    1   1H    ASP   1          1HT       ASP   1  -1.834  13.284   0.451
    2   2H    ASP   1          2HT       ASP   1  -2.081  14.624  -0.594
    3   3H    ASP   1          3HT       ASP   1  -2.591  13.056  -1.070
    4    HA   ASP   1           HA       ASP   1  -3.635  14.539   1.246
    5   1HB   ASP   1          2HB       ASP   1  -4.133  15.646  -0.908
    6   2HB   ASP   1          1HB       ASP   1  -4.802  14.137  -1.521
    7    H    VAL   2           H        VAL   2  -4.714  12.182  -1.204
    8    HA   VAL   2           HA       VAL   2  -6.356  10.771   0.616
    9    HB   VAL   2           HB       VAL   2  -5.278   9.696  -1.988
   10   1HG1  VAL   2          1HG1      VAL   2  -7.880   9.154  -0.565
   11   2HG1  VAL   2          2HG1      VAL   2  -6.457   8.114  -0.488
   12   3HG1  VAL   2          3HG1      VAL   2  -7.284   8.367  -2.026
   13   1HG2  VAL   2          1HG2      VAL   2  -7.329  11.780  -1.445
   14   2HG2  VAL   2          2HG2      VAL   2  -7.627  10.632  -2.751
   15   3HG2  VAL   2          3HG2      VAL   2  -6.181  11.642  -2.777
   16    H    MET   3           H        MET   3  -5.583   9.651   2.283
   17    HA   MET   3           HA       MET   3  -2.988   8.355   2.136
   18   1HB   MET   3          2HB       MET   3  -4.907   8.248   4.454
   19   2HB   MET   3          1HB       MET   3  -3.162   8.039   4.477
   20   1HG   MET   3          2HG       MET   3  -3.092  10.480   3.642
   21   2HG   MET   3          1HG       MET   3  -4.756  10.551   4.220
   22   1HE   MET   3          1HE       MET   3  -0.939  10.025   6.664
   23   2HE   MET   3          2HE       MET   3  -1.102  11.309   5.465
   24   3HE   MET   3          3HE       MET   3  -1.195   9.620   4.966
   25    H    TRP   4           H        TRP   4  -2.621   6.149   2.331
   26    HA   TRP   4           HA       TRP   4  -4.984   4.405   2.141
   27   1HB   TRP   4          2HB       TRP   4  -2.545   4.378   0.361
   28   2HB   TRP   4          1HB       TRP   4  -3.662   3.023   0.472
   29    HD1  TRP   4           HD       TRP   4  -3.836   6.808  -0.370
   30    HE1  TRP   4           1HE      TRP   4  -5.600   7.121  -2.218
   31    HE3  TRP   4           3HE      TRP   4  -5.437   1.969  -0.796
   32    HZ2  TRP   4           2HZ      TRP   4  -7.429   5.530  -3.662
   33    HZ3  TRP   4           3HZ      TRP   4  -7.197   1.450  -2.435
   34    HH2  TRP   4           HH       TRP   4  -8.172   3.195  -3.838
   35    H    GLU   5           H        GLU   5  -3.852   1.978   2.012
   36    HA   GLU   5           HA       GLU   5  -1.793   1.752   4.053
   37   1HB   GLU   5          2HB       GLU   5  -3.060   0.311   5.494
   38   2HB   GLU   5          1HB       GLU   5  -3.984   1.787   5.263
   39   1HG   GLU   5          2HG       GLU   5  -5.720   0.625   4.549
   40   2HG   GLU   5          1HG       GLU   5  -4.749  -0.085   3.261
   41    H    TYR   6           H        TYR   6  -1.042  -0.543   4.258
   42    HA   TYR   6           HA       TYR   6  -1.792  -2.324   2.107
   43   1HB   TYR   6          2HB       TYR   6   0.167  -2.334   0.893
   44   2HB   TYR   6          1HB       TYR   6   0.060  -0.634   1.327
   45    HD1  TYR   6           1HD      TYR   6   1.658  -3.842   2.324
   46    HD2  TYR   6           2HD      TYR   6   1.823   0.405   2.473
   47    HE1  TYR   6           1HE      TYR   6   3.906  -3.970   3.312
   48    HE2  TYR   6           2HE      TYR   6   4.070   0.290   3.463
   49    HH   TYR   6           HH       TYR   6   5.960  -2.418   3.422
   50    H    LYS   7           H        LYS   7  -1.487  -4.421   2.597
   51    HA   LYS   7           HA       LYS   7   0.132  -5.082   4.956
   52   1HB   LYS   7          2HB       LYS   7  -2.212  -5.069   5.641
   53   2HB   LYS   7          1HB       LYS   7  -2.627  -6.141   4.314
   54   1HG   LYS   7          2HG       LYS   7  -1.188  -7.880   5.316
   55   2HG   LYS   7          1HG       LYS   7  -0.892  -6.803   6.682
   56   1HD   LYS   7          2HD       LYS   7  -3.592  -7.832   5.806
   57   2HD   LYS   7          1HD       LYS   7  -2.655  -8.441   7.171
   58   1HE   LYS   7          2HE       LYS   7  -3.507  -6.869   8.485
   59   2HE   LYS   7          1HE       LYS   7  -2.886  -5.612   7.416
   60   1HZ   LYS   7          1HZ       LYS   7  -5.516  -6.974   7.243
   61   2HZ   LYS   7          2HZ       LYS   7  -4.915  -5.945   6.043
   62   3HZ   LYS   7          3HZ       LYS   7  -5.226  -5.344   7.593
   63    H    TRP   8           H        TRP   8   1.529  -6.698   4.622
   64    HA   TRP   8           HA       TRP   8   1.903  -7.803   2.070
   65   1HB   TRP   8          2HB       TRP   8   3.031  -8.408   4.786
   66   2HB   TRP   8          1HB       TRP   8   3.426  -9.435   3.412
   67    HD1  TRP   8           HD       TRP   8   4.863  -6.688   5.204
   68    HE1  TRP   8           1HE      TRP   8   6.492  -5.324   3.752
   69    HE3  TRP   8           3HE      TRP   8   3.468  -8.395   0.590
   70    HZ2  TRP   8           2HZ      TRP   8   7.107  -5.013   1.014
   71    HZ3  TRP   8           3HZ      TRP   8   4.628  -7.515  -1.393
   72    HH2  TRP   8           HH       TRP   8   6.409  -5.860  -1.183
   73    H    GLU   9           H        GLU   9   0.857  -9.426   5.069
   74    HA   GLU   9           HA       GLU   9  -0.321 -11.545   3.399
   75   1HB   GLU   9          2HB       GLU   9   0.335 -11.664   6.345
   76   2HB   GLU   9          1HB       GLU   9  -0.177 -13.001   5.326
   77   1HG   GLU   9          2HG       GLU   9   1.960 -13.461   5.001
   78   2HG   GLU   9          1HG       GLU   9   2.071 -11.975   4.058
   79    H    ASN  10           H        ASN  10  -2.456 -11.948   3.446
   80    HA   ASN  10           HA       ASN  10  -4.167 -10.051   4.779
   81   1HB   ASN  10          2HB       ASN  10  -5.080 -12.486   3.254
   82   2HB   ASN  10          1HB       ASN  10  -5.941 -10.970   3.502
   83   1HD2  ASN  10          1HD2      ASN  10  -5.347 -12.331   1.025
   84   2HD2  ASN  10          2HD2      ASN  10  -4.418 -11.232   0.070
   85    H    THR  11           H        THR  11  -3.041 -11.093   6.849
   86    HA   THR  11           HA       THR  11  -4.849 -13.183   7.859
   87    HB   THR  11           HB       THR  11  -3.132 -14.104   9.105
   88    HG1  THR  11           1HG      THR  11  -1.276 -12.976   9.702
   89   1HG2  THR  11          1HG2      THR  11  -1.732 -12.944   6.719
   90   2HG2  THR  11          2HG2      THR  11  -2.527 -14.514   6.833
   91   3HG2  THR  11          3HG2      THR  11  -1.064 -14.196   7.766
   92    H    GLY  12           H        GLY  12  -4.630 -13.074  10.463
   93   1HA   GLY  12          2HA       GLY  12  -5.685 -10.430  11.132
   94   2HA   GLY  12          1HA       GLY  12  -5.841 -11.887  12.104
   95    H    ASP  13           H        ASP  13  -2.701 -11.757  11.103
   96    HA   ASP  13           HA       ASP  13  -1.867 -10.339  13.544
   97   1HB   ASP  13          2HB       ASP  13  -0.853 -12.852  12.259
   98   2HB   ASP  13          1HB       ASP  13   0.224 -11.877  13.254
   99    H    ALA  14           H        ALA  14  -1.368 -10.773  10.117
  100    HA   ALA  14           HA       ALA  14   1.078  -9.681   9.621
  101   1HB   ALA  14          1HB       ALA  14   0.133 -10.217   7.648
  102   2HB   ALA  14          2HB       ALA  14  -0.323  -8.514   7.632
  103   3HB   ALA  14          3HB       ALA  14  -1.481  -9.732   8.166
  104    H    GLU  15           H        GLU  15   1.976  -7.648   9.416
  105    HA   GLU  15           HA       GLU  15   1.150  -5.664  11.199
  106   1HB   GLU  15          2HB       GLU  15   3.101  -5.741   8.927
  107   2HB   GLU  15          1HB       GLU  15   2.737  -4.208   9.706
  108   1HG   GLU  15          2HG       GLU  15   3.534  -6.577  11.340
  109   2HG   GLU  15          1HG       GLU  15   4.752  -5.605  10.516
  110    H    LEU  16           H        LEU  16   1.056  -3.260  10.182
  111    HA   LEU  16           HA       LEU  16  -0.875  -3.198   7.991
  112   1HB   LEU  16          2HB       LEU  16  -1.912  -3.283  10.417
  113   2HB   LEU  16          1HB       LEU  16  -1.505  -1.578  10.414
  114    HG   LEU  16           HG       LEU  16  -3.795  -1.811   9.747
  115   1HD1  LEU  16          1HD1      LEU  16  -2.455  -1.351   7.125
  116   2HD1  LEU  16          2HD1      LEU  16  -2.113  -0.267   8.473
  117   3HD1  LEU  16          3HD1      LEU  16  -3.768  -0.458   7.893
  118   1HD2  LEU  16          1HD2      LEU  16  -2.839  -3.619   7.533
  119   2HD2  LEU  16          2HD2      LEU  16  -4.503  -3.138   7.863
  120   3HD2  LEU  16          3HD2      LEU  16  -3.638  -4.165   9.008
  121    H    TYR  17           H        TYR  17   0.851  -2.231   6.838
  122    HA   TYR  17           HA       TYR  17   1.566   0.493   7.701
  123   1HB   TYR  17          2HB       TYR  17   2.908  -1.175   5.565
  124   2HB   TYR  17          1HB       TYR  17   3.490   0.335   6.255
  125    HD1  TYR  17           1HD      TYR  17   3.903   0.284   8.855
  126    HD2  TYR  17           2HD      TYR  17   3.740  -3.169   6.376
  127    HE1  TYR  17           1HE      TYR  17   5.177  -0.978  10.538
  128    HE2  TYR  17           2HE      TYR  17   5.012  -4.441   8.051
  129    HH   TYR  17           HH       TYR  17   5.617  -3.220  11.217
  130    H    GLY  18           H        GLY  18   2.201   1.746   5.428
  131   1HA   GLY  18          2HA       GLY  18   1.434   2.164   3.200
  132   2HA   GLY  18          1HA       GLY  18  -0.064   1.372   3.619
  133    HA   PRO  19           HA       PRO  19  -1.870   5.051   5.763
  134   1HB   PRO  19          2HB       PRO  19   0.566   5.809   7.334
  135   2HB   PRO  19          1HB       PRO  19  -1.139   5.926   7.787
  136   1HG   PRO  19          2HG       PRO  19   0.377   3.925   8.683
  137   2HG   PRO  19          1HG       PRO  19  -1.317   3.662   8.229
  138   1HD   PRO  19          2HD       PRO  19   1.158   2.820   6.847
  139   2HD   PRO  19          1HD       PRO  19  -0.470   2.117   6.784
  140    H    PHE  20           H        PHE  20   1.444   5.252   4.689
  141    HA   PHE  20           HA       PHE  20   1.918   7.879   4.221
  142   1HB   PHE  20          2HB       PHE  20   2.488   5.952   1.998
  143   2HB   PHE  20          1HB       PHE  20   3.496   7.247   2.633
  144    HD1  PHE  20           1HD      PHE  20   2.568   3.759   2.902
  145    HD2  PHE  20           2HD      PHE  20   4.718   6.930   4.757
  146    HE1  PHE  20           1HE      PHE  20   3.778   2.122   4.285
  147    HE2  PHE  20           2HE      PHE  20   5.933   5.297   6.140
  148    HZ   PHE  20           HZ       PHE  20   5.463   2.897   5.906
  149    H    THR  21           H        THR  21   1.845   9.116   2.150
  150    HA   THR  21           HA       THR  21  -0.838   9.470   1.317
  151    HB   THR  21           HB       THR  21   0.202  11.051  -0.366
  152    HG1  THR  21           1HG      THR  21   2.225  10.688  -0.738
  153   1HG2  THR  21          1HG2      THR  21  -0.304  12.344   1.394
  154   2HG2  THR  21          2HG2      THR  21   1.445  12.365   1.618
  155   3HG2  THR  21          3HG2      THR  21   0.449  11.250   2.553
  156    H    SER  22           H        SER  22  -1.836   9.071  -0.662
  157    HA   SER  22           HA       SER  22  -1.425   6.656  -1.901
  158   1HB   SER  22          2HB       SER  22  -2.646   7.748  -3.898
  159   2HB   SER  22          1HB       SER  22  -3.484   7.719  -2.347
  160    HG   SER  22           HG       SER  22  -1.943   9.913  -3.270
  161    H    ALA  23           H        ALA  23   0.145   9.699  -2.477
  162    HA   ALA  23           HA       ALA  23   1.327   9.138  -4.973
  163   1HB   ALA  23          1HB       ALA  23   2.713  11.034  -4.553
  164   2HB   ALA  23          2HB       ALA  23   2.446  10.917  -2.814
  165   3HB   ALA  23          3HB       ALA  23   1.122  11.389  -3.879
  166    H    GLN  24           H        GLN  24   2.427   8.682  -1.638
  167    HA   GLN  24           HA       GLN  24   4.975   7.641  -2.357
  168   1HB   GLN  24          2HB       GLN  24   4.079   8.648  -0.083
  169   2HB   GLN  24          1HB       GLN  24   3.696   6.966   0.254
  170   1HG   GLN  24          2HG       GLN  24   5.854   7.542   1.171
  171   2HG   GLN  24          1HG       GLN  24   6.033   6.360  -0.124
  172   1HE2  GLN  24          1HE2      GLN  24   7.842   6.738  -1.166
  173   2HE2  GLN  24          2HE2      GLN  24   8.427   8.284  -1.669
  174    H    MET  25           H        MET  25   1.817   6.286  -1.867
  175    HA   MET  25           HA       MET  25   2.660   3.560  -1.694
  176   1HB   MET  25          2HB       MET  25   0.011   4.904  -2.171
  177   2HB   MET  25          1HB       MET  25   0.179   3.159  -2.304
  178   1HG   MET  25          2HG       MET  25   0.743   4.825   0.137
  179   2HG   MET  25          1HG       MET  25  -0.649   3.775  -0.120
  180   1HE   MET  25          1HE       MET  25  -0.160   1.083  -0.822
  181   2HE   MET  25          2HE       MET  25   1.391   0.308  -0.503
  182   3HE   MET  25          3HE       MET  25   1.252   1.504  -1.791
  183    H    GLN  26           H        GLN  26   1.314   5.596  -4.266
  184    HA   GLN  26           HA       GLN  26   1.220   3.688  -6.296
  185   1HB   GLN  26          2HB       GLN  26   0.126   5.758  -6.665
  186   2HB   GLN  26          1HB       GLN  26   1.582   6.680  -6.330
  187   1HG   GLN  26          2HG       GLN  26   1.228   6.797  -8.653
  188   2HG   GLN  26          1HG       GLN  26   2.569   5.681  -8.413
  189   1HE2  GLN  26          1HE2      GLN  26   1.834   3.327  -8.211
  190   2HE2  GLN  26          2HE2      GLN  26   0.652   2.803  -9.354
  191    H    THR  27           H        THR  27   3.874   5.740  -5.192
  192    HA   THR  27           HA       THR  27   5.696   5.146  -7.244
  193    HB   THR  27           HB       THR  27   6.386   5.751  -4.366
  194    HG1  THR  27           1HG      THR  27   5.810   7.745  -4.697
  195   1HG2  THR  27          1HG2      THR  27   8.480   5.865  -5.045
  196   2HG2  THR  27          2HG2      THR  27   8.031   7.116  -6.204
  197   3HG2  THR  27          3HG2      THR  27   7.993   5.419  -6.680
  198    H    TRP  28           H        TRP  28   5.574   3.806  -3.937
  199    HA   TRP  28           HA       TRP  28   7.474   1.807  -4.311
  200   1HB   TRP  28          2HB       TRP  28   5.144   2.078  -2.426
  201   2HB   TRP  28          1HB       TRP  28   6.203   0.675  -2.384
  202    HD1  TRP  28           HD       TRP  28   9.000   2.104  -2.761
  203    HE1  TRP  28           1HE      TRP  28   9.952   3.576  -0.876
  204    HE3  TRP  28           3HE      TRP  28   4.659   3.136  -0.264
  205    HZ2  TRP  28           2HZ      TRP  28   8.991   4.986   1.372
  206    HZ3  TRP  28           3HZ      TRP  28   4.763   4.556   1.742
  207    HH2  TRP  28           HH       TRP  28   6.885   5.459   2.544
  208    H    VAL  29           H        VAL  29   3.959   1.714  -4.735
  209    HA   VAL  29           HA       VAL  29   3.806  -1.030  -5.416
  210    HB   VAL  29           HB       VAL  29   1.918   1.225  -6.123
  211   1HG1  VAL  29          1HG1      VAL  29   1.628  -1.762  -6.296
  212   2HG1  VAL  29          2HG1      VAL  29   1.409  -0.566  -7.573
  213   3HG1  VAL  29          3HG1      VAL  29   0.245  -0.669  -6.253
  214   1HG2  VAL  29          1HG2      VAL  29   0.788   0.838  -4.142
  215   2HG2  VAL  29          2HG2      VAL  29   2.471   0.650  -3.652
  216   3HG2  VAL  29          3HG2      VAL  29   1.475  -0.775  -3.945
  217    H    SER  30           H        SER  30   4.363   1.894  -7.274
  218    HA   SER  30           HA       SER  30   4.155   0.528  -9.815
  219   1HB   SER  30          2HB       SER  30   3.477   2.913  -9.527
  220   2HB   SER  30          1HB       SER  30   5.169   3.321  -9.244
  221    HG   SER  30           HG       SER  30   3.869   2.883 -11.582
  222    H    GLU  31           H        GLU  31   6.723   1.853  -7.770
  223    HA   GLU  31           HA       GLU  31   8.884   1.521  -9.479
  224   1HB   GLU  31          2HB       GLU  31   8.741   2.569  -7.100
  225   2HB   GLU  31          1HB       GLU  31   9.138   0.948  -6.546
  226   1HG   GLU  31          2HG       GLU  31  10.847   2.090  -8.668
  227   2HG   GLU  31          1HG       GLU  31  10.976   2.805  -7.062
  228    H    GLY  32           H        GLY  32   7.084  -0.855  -7.684
  229   1HA   GLY  32          2HA       GLY  32   7.121  -3.139  -8.495
  230   2HA   GLY  32          1HA       GLY  32   8.832  -2.934  -8.830
  231    H    TYR  33           H        TYR  33   8.090  -1.498  -5.904
  232    HA   TYR  33           HA       TYR  33   9.676  -3.168  -4.368
  233   1HB   TYR  33          2HB       TYR  33   7.759  -1.001  -3.841
  234   2HB   TYR  33          1HB       TYR  33   7.965  -2.125  -2.502
  235    HD1  TYR  33           1HD      TYR  33   9.553   0.458  -4.532
  236    HD2  TYR  33           2HD      TYR  33  10.131  -2.346  -1.385
  237    HE1  TYR  33           1HE      TYR  33  11.627   1.613  -3.892
  238    HE2  TYR  33           2HE      TYR  33  12.206  -1.198  -0.735
  239    HH   TYR  33           HH       TYR  33  13.013   1.561  -1.223
  240    H    PHE  34           H        PHE  34   6.353  -3.528  -5.291
  241    HA   PHE  34           HA       PHE  34   6.153  -5.910  -3.564
  242   1HB   PHE  34          2HB       PHE  34   3.735  -4.529  -4.682
  243   2HB   PHE  34          1HB       PHE  34   3.867  -5.552  -3.258
  244    HD1  PHE  34           1HD      PHE  34   2.630  -2.703  -3.676
  245    HD2  PHE  34           2HD      PHE  34   6.299  -4.128  -2.059
  246    HE1  PHE  34           1HE      PHE  34   2.784  -0.697  -2.261
  247    HE2  PHE  34           2HE      PHE  34   6.459  -2.123  -0.645
  248    HZ   PHE  34           HZ       PHE  34   4.699  -0.404  -0.747
  249    HA   PRO  35           HA       PRO  35   6.324  -7.397  -7.960
  250   1HB   PRO  35          2HB       PRO  35   7.416  -9.767  -6.565
  251   2HB   PRO  35          1HB       PRO  35   8.047  -8.895  -7.966
  252   1HG   PRO  35          2HG       PRO  35   9.217  -8.696  -5.570
  253   2HG   PRO  35          1HG       PRO  35   9.109  -7.304  -6.664
  254   1HD   PRO  35          2HD       PRO  35   7.467  -7.945  -4.244
  255   2HD   PRO  35          1HD       PRO  35   8.110  -6.382  -4.789
  256    H    ASP  36           H        ASP  36   4.947  -8.606  -5.010
  257    HA   ASP  36           HA       ASP  36   3.216 -10.412  -6.552
  258   1HB   ASP  36          2HB       ASP  36   4.532 -11.570  -4.858
  259   2HB   ASP  36          1HB       ASP  36   3.940 -10.469  -3.618
  260    H    GLY  37           H        GLY  37   3.225  -7.405  -5.149
  261   1HA   GLY  37          2HA       GLY  37   1.441  -5.936  -4.933
  262   2HA   GLY  37          1HA       GLY  37   0.339  -7.279  -5.205
  263    H    VAL  38           H        VAL  38  -0.140  -5.341  -3.263
  264    HA   VAL  38           HA       VAL  38   0.021  -6.998  -0.853
  265    HB   VAL  38           HB       VAL  38   0.339  -4.871   0.487
  266   1HG1  VAL  38          1HG1      VAL  38   2.112  -6.511   0.214
  267   2HG1  VAL  38          2HG1      VAL  38   2.777  -4.878   0.181
  268   3HG1  VAL  38          3HG1      VAL  38   2.577  -5.779  -1.321
  269   1HG2  VAL  38          1HG2      VAL  38   0.967  -3.838  -2.267
  270   2HG2  VAL  38          2HG2      VAL  38   1.602  -3.082  -0.805
  271   3HG2  VAL  38          3HG2      VAL  38  -0.140  -3.165  -1.070
  272    H    TYR  39           H        TYR  39  -1.542  -6.366   0.817
  273    HA   TYR  39           HA       TYR  39  -4.121  -5.928  -0.324
  274   1HB   TYR  39          2HB       TYR  39  -3.029  -6.908   2.142
  275   2HB   TYR  39          1HB       TYR  39  -4.251  -5.696   2.497
  276    HD1  TYR  39           1HD      TYR  39  -4.240  -8.008  -0.399
  277    HD2  TYR  39           2HD      TYR  39  -5.957  -7.069   3.378
  278    HE1  TYR  39           1HE      TYR  39  -5.998  -9.683  -0.789
  279    HE2  TYR  39           2HE      TYR  39  -7.720  -8.742   2.999
  280    HH   TYR  39           HH       TYR  39  -7.582 -11.132   0.971
  281    H    CYS  40           H        CYS  40  -4.105  -3.853  -1.213
  282    HA   CYS  40           HA       CYS  40  -3.495  -1.596   0.493
  283   1HB   CYS  40          2HB       CYS  40  -3.993  -1.995  -2.403
  284   2HB   CYS  40          1HB       CYS  40  -4.371  -0.412  -1.735
  285    HG   CYS  40           HG       CYS  40  -1.777  -0.444  -0.890
  286    H    ARG  41           H        ARG  41  -4.904  -0.077   1.233
  287    HA   ARG  41           HA       ARG  41  -7.681  -0.084   0.526
  288   1HB   ARG  41          2HB       ARG  41  -7.969  -1.842   2.034
  289   2HB   ARG  41          1HB       ARG  41  -6.724  -1.246   3.120
  290   1HG   ARG  41          2HG       ARG  41  -8.207  -0.141   4.335
  291   2HG   ARG  41          1HG       ARG  41  -8.890   0.642   2.911
  292   1HD   ARG  41          2HD       ARG  41  -9.562  -2.147   3.841
  293   2HD   ARG  41          1HD       ARG  41 -10.541  -0.714   4.154
  294    HE   ARG  41           HE       ARG  41 -10.467  -2.234   1.754
  295   1HH1  ARG  41          1HH1      ARG  41 -10.844   1.016   2.970
  296   2HH1  ARG  41          2HH1      ARG  41 -11.760   1.555   1.603
  297   1HH2  ARG  41          1HH2      ARG  41 -11.670  -1.526  -0.045
  298   2HH2  ARG  41          2HH2      ARG  41 -12.229   0.113  -0.109
  299    H    LYS  42           H        LYS  42  -8.631   1.863   0.991
  300    HA   LYS  42           HA       LYS  42  -6.909   4.015   1.729
  301   1HB   LYS  42          2HB       LYS  42  -9.715   3.705   0.813
  302   2HB   LYS  42          1HB       LYS  42  -9.335   5.165   1.712
  303   1HG   LYS  42          2HG       LYS  42  -7.486   5.597   0.105
  304   2HG   LYS  42          1HG       LYS  42  -8.053   4.218  -0.837
  305   1HD   LYS  42          2HD       LYS  42 -10.158   6.132  -0.158
  306   2HD   LYS  42          1HD       LYS  42  -8.876   6.811  -1.162
  307   1HE   LYS  42          2HE       LYS  42  -9.634   5.745  -2.959
  308   2HE   LYS  42          1HE       LYS  42  -9.618   4.199  -2.112
  309   1HZ   LYS  42          1HZ       LYS  42 -11.795   4.595  -1.285
  310   2HZ   LYS  42          2HZ       LYS  42 -11.835   4.900  -2.948
  311   3HZ   LYS  42          3HZ       LYS  42 -11.803   6.189  -1.853
  312    H    LEU  43           H        LEU  43  -6.904   5.260   3.560
  313    HA   LEU  43           HA       LEU  43  -7.710   3.979   5.980
  314   1HB   LEU  43          2HB       LEU  43  -6.865   6.847   5.850
  315   2HB   LEU  43          1HB       LEU  43  -6.548   5.656   7.098
  316    HG   LEU  43           HG       LEU  43  -5.237   5.821   4.386
  317   1HD1  LEU  43          1HD1      LEU  43  -3.959   5.974   7.096
  318   2HD1  LEU  43          2HD1      LEU  43  -4.531   7.401   6.232
  319   3HD1  LEU  43          3HD1      LEU  43  -3.268   6.392   5.529
  320   1HD2  LEU  43          1HD2      LEU  43  -5.104   3.586   4.590
  321   2HD2  LEU  43          2HD2      LEU  43  -5.452   3.616   6.318
  322   3HD2  LEU  43          3HD2      LEU  43  -3.823   3.964   5.742
  323    H    ASP  44           H        ASP  44  -8.503   7.244   4.774
  324    HA   ASP  44           HA       ASP  44 -11.162   6.935   6.001
  325   1HB   ASP  44          2HB       ASP  44  -9.498   8.642   7.001
  326   2HB   ASP  44          1HB       ASP  44  -9.832   9.595   5.559
  327    HA   PRO  45           HA       PRO  45 -13.135   7.514   5.908
  328   1HB   PRO  45          2HB       PRO  45 -15.340   6.486   4.763
  329   2HB   PRO  45          1HB       PRO  45 -15.045   8.228   4.820
  330   1HG   PRO  45          2HG       PRO  45 -14.610   6.305   2.566
  331   2HG   PRO  45          1HG       PRO  45 -15.313   7.932   2.528
  332   1HD   PRO  45          2HD       PRO  45 -12.727   7.394   1.835
  333   2HD   PRO  45          1HD       PRO  45 -13.259   8.953   2.494
  334    HA   PRO  46           HA       PRO  46 -11.980   3.217   6.117
  335   1HB   PRO  46          2HB       PRO  46 -13.023   2.608   8.523
  336   2HB   PRO  46          1HB       PRO  46 -11.604   3.650   8.354
  337   1HG   PRO  46          2HG       PRO  46 -14.465   4.404   8.810
  338   2HG   PRO  46          1HG       PRO  46 -13.001   5.061   9.564
  339   1HD   PRO  46          2HD       PRO  46 -14.315   6.283   7.504
  340   2HD   PRO  46          1HD       PRO  46 -12.574   6.462   7.797
  341    H    GLY  47           H        GLY  47 -12.858   1.349   5.416
  342   1HA   GLY  47          2HA       GLY  47 -15.712   0.869   5.801
  343   2HA   GLY  47          1HA       GLY  47 -15.107   0.919   4.153
  344    H    GLY  48           H        GLY  48 -14.116  -0.845   3.306
  345   1HA   GLY  48          2HA       GLY  48 -12.845  -2.882   4.756
  346   2HA   GLY  48          1HA       GLY  48 -14.521  -3.354   4.514
  347    H    GLN  49           H        GLN  49 -14.105  -5.054   3.151
  348    HA   GLN  49           HA       GLN  49 -13.425  -6.185   1.290
  349   1HB   GLN  49          2HB       GLN  49 -14.224  -5.116  -0.804
  350   2HB   GLN  49          1HB       GLN  49 -15.423  -5.177   0.480
  351   1HG   GLN  49          2HG       GLN  49 -15.164  -2.863   0.945
  352   2HG   GLN  49          1HG       GLN  49 -13.752  -2.749  -0.104
  353   1HE2  GLN  49          1HE2      GLN  49 -14.027  -2.330  -2.213
  354   2HE2  GLN  49          2HE2      GLN  49 -15.561  -2.167  -2.992
  355    H    PHE  50           H        PHE  50 -11.173  -5.846   2.017
  356    HA   PHE  50           HA       PHE  50  -9.389  -3.954   1.206
  357   1HB   PHE  50          2HB       PHE  50  -9.242  -6.732   2.014
  358   2HB   PHE  50          1HB       PHE  50  -7.997  -6.354   0.829
  359    HD1  PHE  50           1HD      PHE  50  -6.703  -4.098   1.296
  360    HD2  PHE  50           2HD      PHE  50  -8.781  -6.373   4.231
  361    HE1  PHE  50           1HE      PHE  50  -5.335  -3.064   3.061
  362    HE2  PHE  50           2HE      PHE  50  -7.418  -5.343   6.001
  363    HZ   PHE  50           HZ       PHE  50  -5.692  -3.686   5.417
  364    H    TYR  51           H        TYR  51  -7.651  -4.151  -0.506
  365    HA   TYR  51           HA       TYR  51  -8.521  -5.401  -2.983
  366   1HB   TYR  51          2HB       TYR  51  -9.140  -2.718  -2.481
  367   2HB   TYR  51          1HB       TYR  51  -7.739  -2.667  -3.546
  368    HD1  TYR  51           1HD      TYR  51  -8.198  -5.036  -5.240
  369    HD2  TYR  51           2HD      TYR  51 -10.935  -2.100  -3.828
  370    HE1  TYR  51           1HE      TYR  51  -9.653  -5.469  -7.175
  371    HE2  TYR  51           2HE      TYR  51 -12.397  -2.525  -5.758
  372    HH   TYR  51           HH       TYR  51 -12.189  -3.428  -8.062
  373    H    ASN  52           H        ASN  52  -6.825  -6.240  -4.003
  374    HA   ASN  52           HA       ASN  52  -4.203  -5.997  -3.018
  375   1HB   ASN  52          2HB       ASN  52  -5.255  -7.899  -4.409
  376   2HB   ASN  52          1HB       ASN  52  -4.848  -6.915  -5.812
  377   1HD2  ASN  52          1HD2      ASN  52  -3.503  -8.692  -6.439
  378   2HD2  ASN  52          2HD2      ASN  52  -1.924  -8.861  -5.759
  379    H    SER  53           H        SER  53  -2.591  -4.621  -3.462
  380    HA   SER  53           HA       SER  53  -2.973  -2.184  -4.701
  381   1HB   SER  53          2HB       SER  53  -0.642  -1.820  -4.479
  382   2HB   SER  53          1HB       SER  53  -1.065  -2.910  -3.158
  383    HG   SER  53           HG       SER  53   0.302  -3.470  -5.556
  384    H    LYS  54           H        LYS  54  -2.136  -5.248  -6.112
  385    HA   LYS  54           HA       LYS  54  -1.228  -4.192  -8.613
  386   1HB   LYS  54          2HB       LYS  54  -0.999  -6.611  -7.393
  387   2HB   LYS  54          1HB       LYS  54  -2.269  -6.951  -8.560
  388   1HG   LYS  54          2HG       LYS  54  -0.891  -6.586 -10.370
  389   2HG   LYS  54          1HG       LYS  54   0.229  -5.581  -9.447
  390   1HD   LYS  54          2HD       LYS  54  -0.041  -8.370  -8.531
  391   2HD   LYS  54          1HD       LYS  54   0.708  -8.155 -10.115
  392   1HE   LYS  54          2HE       LYS  54   1.668  -6.332  -8.017
  393   2HE   LYS  54          1HE       LYS  54   2.038  -8.035  -7.753
  394   1HZ   LYS  54          1HZ       LYS  54   2.545  -7.017 -10.428
  395   2HZ   LYS  54          2HZ       LYS  54   3.454  -8.087  -9.485
  396   3HZ   LYS  54          3HZ       LYS  54   3.556  -6.422  -9.209
  397    H    ARG  55           H        ARG  55  -4.271  -4.390  -7.233
  398    HA   ARG  55           HA       ARG  55  -5.553  -4.400  -9.885
  399   1HB   ARG  55          2HB       ARG  55  -6.183  -5.868  -7.459
  400   2HB   ARG  55          1HB       ARG  55  -7.557  -4.927  -8.023
  401   1HG   ARG  55          2HG       ARG  55  -7.975  -6.398  -9.621
  402   2HG   ARG  55          1HG       ARG  55  -6.328  -6.262 -10.239
  403   1HD   ARG  55          2HD       ARG  55  -6.869  -7.888  -7.791
  404   2HD   ARG  55          1HD       ARG  55  -7.225  -8.559  -9.383
  405    HE   ARG  55           HE       ARG  55  -4.617  -7.508  -9.380
  406   1HH1  ARG  55          1HH1      ARG  55  -6.446 -10.160  -8.040
  407   2HH1  ARG  55          2HH1      ARG  55  -5.080 -11.219  -7.946
  408   1HH2  ARG  55          1HH2      ARG  55  -2.818  -8.899  -9.258
  409   2HH2  ARG  55          2HH2      ARG  55  -3.020 -10.504  -8.638
  410    H    ILE  56           H        ILE  56  -4.543  -2.311  -7.675
  411    HA   ILE  56           HA       ILE  56  -6.986  -0.681  -7.660
  412    HB   ILE  56           HB       ILE  56  -4.460  -0.405  -6.030
  413   1HG1  ILE  56          2HG1      ILE  56  -7.263  -1.300  -5.338
  414   2HG1  ILE  56          1HG1      ILE  56  -5.795  -2.269  -5.280
  415   1HG2  ILE  56          1HG2      ILE  56  -5.346   1.788  -6.454
  416   2HG2  ILE  56          2HG2      ILE  56  -5.732   1.340  -4.793
  417   3HG2  ILE  56          3HG2      ILE  56  -6.976   1.257  -6.040
  418   1HD1  ILE  56          1HD1      ILE  56  -6.843  -0.292  -3.366
  419   2HD1  ILE  56          2HD1      ILE  56  -5.094  -0.319  -3.595
  420   3HD1  ILE  56          3HD1      ILE  56  -5.940  -1.781  -3.088
  421    H    ASP  57           H        ASP  57  -6.872   1.548  -8.219
  422    HA   ASP  57           HA       ASP  57  -4.647   2.202 -10.036
  423   1HB   ASP  57          2HB       ASP  57  -7.007   1.802 -11.017
  424   2HB   ASP  57          1HB       ASP  57  -7.412   3.357 -10.299
  425    H    PHE  58           H        PHE  58  -3.408   3.781  -9.281
  426    HA   PHE  58           HA       PHE  58  -4.482   5.629  -7.291
  427   1HB   PHE  58          2HB       PHE  58  -1.643   5.195  -8.241
  428   2HB   PHE  58          1HB       PHE  58  -2.125   6.277  -6.940
  429    HD1  PHE  58           1HD      PHE  58  -2.282   2.705  -7.968
  430    HD2  PHE  58           2HD      PHE  58  -2.180   5.504  -4.764
  431    HE1  PHE  58           1HE      PHE  58  -2.077   0.852  -6.361
  432    HE2  PHE  58           2HE      PHE  58  -1.975   3.657  -3.151
  433    HZ   PHE  58           HZ       PHE  58  -1.921   1.327  -3.948
  434    H    ASP  59           H        ASP  59  -5.237   5.848 -10.108
  435    HA   ASP  59           HA       ASP  59  -4.025   8.447 -10.771
  436   1HB   ASP  59          2HB       ASP  59  -5.526   6.613 -12.647
  437   2HB   ASP  59          1HB       ASP  59  -4.596   8.046 -13.075
  438    H    LEU  60           H        LEU  60  -6.980   6.778 -10.052
  439    HA   LEU  60           HA       LEU  60  -8.577   9.107 -10.751
  440   1HB   LEU  60          2HB       LEU  60  -9.813   6.678  -9.574
  441   2HB   LEU  60          1HB       LEU  60 -10.426   7.754 -10.814
  442    HG   LEU  60           HG       LEU  60  -8.225   5.734 -11.251
  443   1HD1  LEU  60          1HD1      LEU  60 -10.009   4.550 -12.575
  444   2HD1  LEU  60          2HD1      LEU  60 -11.182   5.602 -11.783
  445   3HD1  LEU  60          3HD1      LEU  60 -10.198   4.498 -10.822
  446   1HD2  LEU  60          1HD2      LEU  60  -9.859   7.095 -13.360
  447   2HD2  LEU  60          2HD2      LEU  60  -8.293   6.297 -13.504
  448   3HD2  LEU  60          3HD2      LEU  60  -8.414   7.861 -12.698
  449    H    TYR  61           H        TYR  61  -6.723   9.105  -8.488
  450    HA   TYR  61           HA       TYR  61  -8.668   9.758  -6.387
  451   1HB   TYR  61          2HB       TYR  61  -6.062   8.274  -5.992
  452   2HB   TYR  61          1HB       TYR  61  -7.085   8.875  -4.692
  453    HD1  TYR  61           1HD      TYR  61  -9.697   8.114  -5.107
  454    HD2  TYR  61           2HD      TYR  61  -6.218   6.010  -6.361
  455    HE1  TYR  61           1HE      TYR  61 -10.985   6.020  -5.150
  456    HE2  TYR  61           2HE      TYR  61  -7.497   3.911  -6.407
  457    HH   TYR  61           HH       TYR  61  -9.764   3.106  -5.075
  458    H    THR  62           H        THR  62  -5.293  10.103  -7.453
  459    HA   THR  62           HA       THR  62  -4.834  12.444  -5.878
  460    HB   THR  62           HB       THR  62  -2.693  12.545  -6.940
  461    HG1  THR  62           1HG      THR  62  -2.623  12.161  -8.986
  462   1HG2  THR  62          1HG2      THR  62  -2.714   9.676  -7.169
  463   2HG2  THR  62          2HG2      THR  62  -3.564  10.213  -5.721
  464   3HG2  THR  62          3HG2      THR  62  -1.895  10.710  -5.999
  465   1H    SER  63          1HT       SER  63  14.504   9.471  -9.923
  466   2H    SER  63          2HT       SER  63  14.240  11.163 -10.035
  467   3H    SER  63          3HT       SER  63  13.040  10.149  -9.344
  468    HA   SER  63           HA       SER  63  15.646  10.940  -8.269
  469   1HB   SER  63          2HB       SER  63  12.821  11.510  -7.802
  470   2HB   SER  63          1HB       SER  63  13.655  11.016  -6.328
  471    HG   SER  63           HG       SER  63  14.049  13.261  -7.940
  472    H    HIS  64           H        HIS  64  15.386  10.089  -5.743
  473    HA   HIS  64           HA       HIS  64  15.061   7.168  -5.923
  474   1HB   HIS  64          2HB       HIS  64  17.334   8.731  -4.701
  475   2HB   HIS  64          1HB       HIS  64  17.022   7.045  -4.300
  476    HD1  HIS  64           1HD      HIS  64  17.391   9.008  -7.551
  477    HD2  HIS  64           2HD      HIS  64  18.575   5.433  -5.796
  478    HE1  HIS  64           1HE      HIS  64  18.825   7.859  -9.268
  479    HE2  HIS  64           2HE      HIS  64  19.464   5.662  -8.214
  480    H    ARG  65           H        ARG  65  13.195   6.944  -4.799
  481    HA   ARG  65           HA       ARG  65  12.699   8.426  -2.379
  482   1HB   ARG  65          2HB       ARG  65  10.547   7.604  -2.465
  483   2HB   ARG  65          1HB       ARG  65  10.995   7.544  -4.162
  484   1HG   ARG  65          2HG       ARG  65  11.055   5.221  -2.246
  485   2HG   ARG  65          1HG       ARG  65   9.817   5.530  -3.465
  486   1HD   ARG  65          2HD       ARG  65  12.744   5.086  -4.044
  487   2HD   ARG  65          1HD       ARG  65  11.492   3.852  -4.178
  488    HE   ARG  65           HE       ARG  65  10.577   5.854  -5.759
  489   1HH1  ARG  65          1HH1      ARG  65  13.597   4.112  -5.594
  490   2HH1  ARG  65          2HH1      ARG  65  13.926   4.272  -7.286
  491   1HH2  ARG  65          1HH2      ARG  65  11.008   6.065  -7.986
  492   2HH2  ARG  65          2HH2      ARG  65  12.457   5.381  -8.644
  493    HA   PRO  66           HA       PRO  66  14.313   5.580   0.562
  494   1HB   PRO  66          2HB       PRO  66  12.579   5.818   2.618
  495   2HB   PRO  66          1HB       PRO  66  13.704   7.106   2.171
  496   1HG   PRO  66          2HG       PRO  66  10.795   6.820   1.517
  497   2HG   PRO  66          1HG       PRO  66  11.688   8.262   2.034
  498   1HD   PRO  66          2HD       PRO  66  11.043   7.774  -0.564
  499   2HD   PRO  66          1HD       PRO  66  12.493   8.674  -0.082
  500    HA   PRO  67           HA       PRO  67  12.063   1.765   0.533
  501   1HB   PRO  67          2HB       PRO  67  13.117   0.460   2.607
  502   2HB   PRO  67          1HB       PRO  67  14.118   0.947   1.234
  503   1HG   PRO  67          2HG       PRO  67  13.914   2.148   3.950
  504   2HG   PRO  67          1HG       PRO  67  15.323   2.005   2.886
  505   1HD   PRO  67          2HD       PRO  67  13.700   4.283   3.219
  506   2HD   PRO  67          1HD       PRO  67  14.909   4.031   1.948
  507    HA   PRO  68           HA       PRO  68   8.583   2.246   3.314
  508   1HB   PRO  68          2HB       PRO  68   7.065   0.232   2.390
  509   2HB   PRO  68          1HB       PRO  68   7.317   1.711   1.454
  510   1HG   PRO  68          2HG       PRO  68   8.644  -0.957   1.174
  511   2HG   PRO  68          1HG       PRO  68   8.039   0.130  -0.090
  512   1HD   PRO  68          2HD       PRO  68  10.673  -0.040   0.639
  513   2HD   PRO  68          1HD       PRO  68   9.937   1.414  -0.060
  514    HA   PRO  69           HA       PRO  69   9.044  -0.625   6.634
  515   1HB   PRO  69          2HB       PRO  69   6.465  -1.228   7.328
  516   2HB   PRO  69          1HB       PRO  69   7.267   0.288   7.750
  517   1HG   PRO  69          2HG       PRO  69   5.358  -0.290   5.524
  518   2HG   PRO  69          1HG       PRO  69   5.450   1.125   6.585
  519   1HD   PRO  69          2HD       PRO  69   6.406   1.154   4.061
  520   2HD   PRO  69          1HD       PRO  69   7.168   2.081   5.370
  521    H    GLY  70           H        GLY  70   8.160  -2.825   7.477
  522   1HA   GLY  70          2HA       GLY  70   7.726  -5.058   7.113
  523   2HA   GLY  70          1HA       GLY  70   7.091  -4.631   5.532
  524    H    HIS  71           H        HIS  71   8.900  -3.858   3.976
  525    HA   HIS  71           HA       HIS  71  10.522  -4.668   2.587
  526   1HB   HIS  71          2HB       HIS  71  12.714  -4.350   3.437
  527   2HB   HIS  71          1HB       HIS  71  11.691  -3.217   4.294
  528    HD1  HIS  71           1HD      HIS  71  13.157  -3.007   6.272
  529    HD2  HIS  71           2HD      HIS  71  12.123  -6.948   5.542
  530    HE1  HIS  71           1HE      HIS  71  13.910  -4.280   8.308
  531    HE2  HIS  71           2HE      HIS  71  13.349  -6.683   7.798
  532    H    ARG  72           H        ARG  72  12.719  -6.294   2.974
  533    HA   ARG  72           HA       ARG  72  12.311  -8.696   4.280
  534   1HB   ARG  72          2HB       ARG  72  10.672  -8.429   1.926
  535   2HB   ARG  72          1HB       ARG  72  11.830  -9.731   1.697
  536   1HG   ARG  72          2HG       ARG  72  10.670 -11.081   3.015
  537   2HG   ARG  72          1HG       ARG  72  10.659  -9.889   4.317
  538   1HD   ARG  72          2HD       ARG  72   8.411 -10.093   3.910
  539   2HD   ARG  72          1HD       ARG  72   8.815  -8.753   2.839
  540    HE   ARG  72           HE       ARG  72   9.089 -11.155   1.421
  541   1HH1  ARG  72          1HH1      ARG  72   6.595  -9.172   2.845
  542   2HH1  ARG  72          2HH1      ARG  72   5.377  -9.680   1.723
  543   1HH2  ARG  72          1HH2      ARG  72   7.489 -11.823  -0.055
  544   2HH2  ARG  72          2HH2      ARG  72   5.884 -11.185   0.077
  545    H    VAL  73           H        VAL  73  14.489  -8.672   4.562
  546    HA   VAL  73           HA       VAL  73  16.411  -8.161   2.582
  547    HB   VAL  73           HB       VAL  73  18.023  -9.248   4.122
  548   1HG1  VAL  73          1HG1      VAL  73  16.388  -7.619   5.956
  549   2HG1  VAL  73          2HG1      VAL  73  16.781  -6.877   4.405
  550   3HG1  VAL  73          3HG1      VAL  73  18.073  -7.436   5.467
  551   1HG2  VAL  73          1HG2      VAL  73  15.989 -10.813   4.918
  552   2HG2  VAL  73          2HG2      VAL  73  15.966  -9.611   6.208
  553   3HG2  VAL  73          3HG2      VAL  73  17.435 -10.533   5.888
  Start of MODEL   13
    1   1H    ASP   1          1HT       ASP   1  -4.675  15.125   0.904
    2   2H    ASP   1          2HT       ASP   1  -3.210  15.714   0.231
    3   3H    ASP   1          3HT       ASP   1  -3.171  14.571   1.510
    4    HA   ASP   1           HA       ASP   1  -4.235  14.119  -1.196
    5   1HB   ASP   1          2HB       ASP   1  -1.600  14.238  -0.305
    6   2HB   ASP   1          1HB       ASP   1  -1.973  12.517  -0.290
    7    H    VAL   2           H        VAL   2  -5.003  12.023  -1.576
    8    HA   VAL   2           HA       VAL   2  -6.420  10.827   0.538
    9    HB   VAL   2           HB       VAL   2  -5.707   9.506  -2.080
   10   1HG1  VAL   2          1HG1      VAL   2  -8.254   9.140  -0.559
   11   2HG1  VAL   2          2HG1      VAL   2  -6.806   8.244  -0.096
   12   3HG1  VAL   2          3HG1      VAL   2  -7.475   8.061  -1.718
   13   1HG2  VAL   2          1HG2      VAL   2  -6.631  11.556  -2.741
   14   2HG2  VAL   2          2HG2      VAL   2  -7.803  11.552  -1.422
   15   3HG2  VAL   2          3HG2      VAL   2  -7.990  10.430  -2.769
   16    H    MET   3           H        MET   3  -5.577   9.721   2.174
   17    HA   MET   3           HA       MET   3  -3.019   8.385   1.913
   18   1HB   MET   3          2HB       MET   3  -4.855   8.461   4.309
   19   2HB   MET   3          1HB       MET   3  -3.149   8.040   4.293
   20   1HG   MET   3          2HG       MET   3  -2.962  10.487   3.273
   21   2HG   MET   3          1HG       MET   3  -4.452  10.691   4.192
   22   1HE   MET   3          1HE       MET   3  -1.404  11.717   4.084
   23   2HE   MET   3          2HE       MET   3  -0.361  10.469   4.766
   24   3HE   MET   3          3HE       MET   3  -0.785  11.886   5.726
   25    H    TRP   4           H        TRP   4  -2.654   6.190   2.042
   26    HA   TRP   4           HA       TRP   4  -5.041   4.462   2.054
   27   1HB   TRP   4          2HB       TRP   4  -2.704   4.367   0.143
   28   2HB   TRP   4          1HB       TRP   4  -3.852   3.046   0.328
   29    HD1  TRP   4           HD       TRP   4  -3.919   6.812  -0.596
   30    HE1  TRP   4           1HE      TRP   4  -5.792   7.168  -2.326
   31    HE3  TRP   4           3HE      TRP   4  -5.793   2.059  -0.749
   32    HZ2  TRP   4           2HZ      TRP   4  -7.799   5.636  -3.587
   33    HZ3  TRP   4           3HZ      TRP   4  -7.690   1.588  -2.243
   34    HH2  TRP   4           HH       TRP   4  -8.672   3.340  -3.630
   35    H    GLU   5           H        GLU   5  -3.909   2.017   1.879
   36    HA   GLU   5           HA       GLU   5  -1.800   1.822   3.885
   37   1HB   GLU   5          2HB       GLU   5  -4.566   1.404   4.475
   38   2HB   GLU   5          1HB       GLU   5  -3.737  -0.144   4.567
   39   1HG   GLU   5          2HG       GLU   5  -2.356   0.551   6.289
   40   2HG   GLU   5          1HG       GLU   5  -2.607   2.258   5.932
   41    H    TYR   6           H        TYR   6  -1.182  -0.547   4.193
   42    HA   TYR   6           HA       TYR   6  -1.839  -2.429   2.172
   43   1HB   TYR   6          2HB       TYR   6  -0.047  -2.354   0.722
   44   2HB   TYR   6          1HB       TYR   6  -0.275  -0.642   1.048
   45    HD1  TYR   6           1HD      TYR   6   1.771  -3.598   1.969
   46    HD2  TYR   6           2HD      TYR   6   1.461   0.642   1.989
   47    HE1  TYR   6           1HE      TYR   6   4.116  -3.437   2.691
   48    HE2  TYR   6           2HE      TYR   6   3.806   0.818   2.710
   49    HH   TYR   6           HH       TYR   6   5.945  -1.847   2.672
   50    H    LYS   7           H        LYS   7  -1.426  -4.413   2.910
   51    HA   LYS   7           HA       LYS   7   0.633  -4.729   4.980
   52   1HB   LYS   7          2HB       LYS   7  -0.764  -6.265   6.199
   53   2HB   LYS   7          1HB       LYS   7  -1.638  -4.758   5.976
   54   1HG   LYS   7          2HG       LYS   7  -3.044  -5.704   4.331
   55   2HG   LYS   7          1HG       LYS   7  -2.026  -7.139   4.186
   56   1HD   LYS   7          2HD       LYS   7  -2.938  -8.123   5.994
   57   2HD   LYS   7          1HD       LYS   7  -3.035  -6.610   6.894
   58   1HE   LYS   7          2HE       LYS   7  -5.201  -6.451   6.441
   59   2HE   LYS   7          1HE       LYS   7  -4.865  -6.493   4.711
   60   1HZ   LYS   7          1HZ       LYS   7  -5.002  -8.958   6.344
   61   2HZ   LYS   7          2HZ       LYS   7  -5.091  -8.810   4.662
   62   3HZ   LYS   7          3HZ       LYS   7  -6.377  -8.282   5.626
   63    H    TRP   8           H        TRP   8   2.079  -6.278   4.588
   64    HA   TRP   8           HA       TRP   8   2.125  -7.648   2.132
   65   1HB   TRP   8          2HB       TRP   8   3.719  -7.942   4.673
   66   2HB   TRP   8          1HB       TRP   8   4.008  -8.969   3.274
   67    HD1  TRP   8           HD       TRP   8   5.210  -5.877   4.767
   68    HE1  TRP   8           1HE      TRP   8   6.516  -4.459   3.061
   69    HE3  TRP   8           3HE      TRP   8   3.763  -8.239   0.469
   70    HZ2  TRP   8           2HZ      TRP   8   6.884  -4.356   0.264
   71    HZ3  TRP   8           3HZ      TRP   8   4.638  -7.420  -1.678
   72    HH2  TRP   8           HH       TRP   8   6.165  -5.520  -1.776
   73    H    GLU   9           H        GLU   9   1.769  -8.963   5.427
   74    HA   GLU   9           HA       GLU   9   0.829 -11.488   4.356
   75   1HB   GLU   9          2HB       GLU   9   1.151 -10.594   7.225
   76   2HB   GLU   9          1HB       GLU   9   0.822 -12.236   6.689
   77   1HG   GLU   9          2HG       GLU   9   3.062 -11.697   5.283
   78   2HG   GLU   9          1HG       GLU   9   3.337 -10.724   6.727
   79    H    ASN  10           H        ASN  10  -1.214 -12.283   4.467
   80    HA   ASN  10           HA       ASN  10  -3.300 -10.375   5.259
   81   1HB   ASN  10          2HB       ASN  10  -3.613 -12.857   3.562
   82   2HB   ASN  10          1HB       ASN  10  -4.789 -11.564   3.783
   83   1HD2  ASN  10          1HD2      ASN  10  -3.133  -9.360   3.544
   84   2HD2  ASN  10          2HD2      ASN  10  -2.548  -9.271   1.921
   85    H    THR  11           H        THR  11  -1.938 -11.829   7.251
   86    HA   THR  11           HA       THR  11  -3.487 -14.107   8.043
   87    HB   THR  11           HB       THR  11  -2.026 -14.313   9.834
   88    HG1  THR  11           1HG      THR  11  -1.809 -12.671  11.091
   89   1HG2  THR  11          1HG2      THR  11  -0.049 -12.611   8.535
   90   2HG2  THR  11          2HG2      THR  11  -0.837 -13.760   7.455
   91   3HG2  THR  11          3HG2      THR  11  -0.007 -14.335   8.900
   92    H    GLY  12           H        GLY  12  -3.829 -13.678  10.782
   93   1HA   GLY  12          2HA       GLY  12  -6.267 -12.124  10.750
   94   2HA   GLY  12          1HA       GLY  12  -5.643 -13.064  12.098
   95    H    ASP  13           H        ASP  13  -3.171 -11.168  10.961
   96    HA   ASP  13           HA       ASP  13  -3.874  -8.734  12.348
   97   1HB   ASP  13          2HB       ASP  13  -2.582 -10.787  13.774
   98   2HB   ASP  13          1HB       ASP  13  -1.328  -9.609  13.402
   99    H    ALA  14           H        ALA  14  -0.940 -10.491  11.304
  100    HA   ALA  14           HA       ALA  14   0.851  -9.818  10.052
  101   1HB   ALA  14          1HB       ALA  14   0.269  -8.927   7.850
  102   2HB   ALA  14          2HB       ALA  14  -1.366  -8.589   8.420
  103   3HB   ALA  14          3HB       ALA  14  -0.796 -10.255   8.313
  104    H    GLU  15           H        GLU  15   1.634  -7.729   8.657
  105    HA   GLU  15           HA       GLU  15   1.848  -5.628  10.656
  106   1HB   GLU  15          2HB       GLU  15   3.225  -5.550   7.995
  107   2HB   GLU  15          1HB       GLU  15   3.757  -4.896   9.536
  108   1HG   GLU  15          2HG       GLU  15   3.718  -7.784   8.703
  109   2HG   GLU  15          1HG       GLU  15   5.131  -6.767   8.980
  110    H    LEU  16           H        LEU  16   1.024  -3.613  10.455
  111    HA   LEU  16           HA       LEU  16  -0.672  -3.127   8.102
  112   1HB   LEU  16          2HB       LEU  16  -1.404  -3.133  10.708
  113   2HB   LEU  16          1HB       LEU  16  -1.023  -1.434  10.491
  114    HG   LEU  16           HG       LEU  16  -3.389  -1.812  10.124
  115   1HD1  LEU  16          1HD1      LEU  16  -3.553  -0.963   7.765
  116   2HD1  LEU  16          2HD1      LEU  16  -1.806  -1.174   7.646
  117   3HD1  LEU  16          3HD1      LEU  16  -2.480  -0.047   8.824
  118   1HD2  LEU  16          1HD2      LEU  16  -2.616  -3.626   7.846
  119   2HD2  LEU  16          2HD2      LEU  16  -4.240  -3.260   8.426
  120   3HD2  LEU  16          3HD2      LEU  16  -3.137  -4.201   9.430
  121    H    TYR  17           H        TYR  17   0.498  -2.020   6.673
  122    HA   TYR  17           HA       TYR  17   1.644   0.545   7.553
  123   1HB   TYR  17          2HB       TYR  17   2.868  -1.323   5.510
  124   2HB   TYR  17          1HB       TYR  17   3.488   0.256   5.973
  125    HD1  TYR  17           1HD      TYR  17   3.730   0.429   8.706
  126    HD2  TYR  17           2HD      TYR  17   4.025  -3.108   6.362
  127    HE1  TYR  17           1HE      TYR  17   5.075  -0.624  10.476
  128    HE2  TYR  17           2HE      TYR  17   5.370  -4.173   8.124
  129    HH   TYR  17           HH       TYR  17   6.936  -3.244  10.060
  130    H    GLY  18           H        GLY  18   2.206   1.818   5.341
  131   1HA   GLY  18          2HA       GLY  18   1.463   2.228   3.099
  132   2HA   GLY  18          1HA       GLY  18  -0.028   1.413   3.497
  133    HA   PRO  19           HA       PRO  19  -1.910   5.050   5.639
  134   1HB   PRO  19          2HB       PRO  19   0.492   5.824   7.255
  135   2HB   PRO  19          1HB       PRO  19  -1.222   5.914   7.682
  136   1HG   PRO  19          2HG       PRO  19   0.302   3.923   8.584
  137   2HG   PRO  19          1HG       PRO  19  -1.378   3.641   8.093
  138   1HD   PRO  19          2HD       PRO  19   1.136   2.857   6.747
  139   2HD   PRO  19          1HD       PRO  19  -0.476   2.124   6.651
  140    H    PHE  20           H        PHE  20   1.409   5.302   4.592
  141    HA   PHE  20           HA       PHE  20   1.858   7.942   4.168
  142   1HB   PHE  20          2HB       PHE  20   2.451   6.066   1.910
  143   2HB   PHE  20          1HB       PHE  20   3.445   7.356   2.574
  144    HD1  PHE  20           1HD      PHE  20   2.531   3.857   2.783
  145    HD2  PHE  20           2HD      PHE  20   4.694   7.000   4.669
  146    HE1  PHE  20           1HE      PHE  20   3.764   2.200   4.121
  147    HE2  PHE  20           2HE      PHE  20   5.931   5.347   6.007
  148    HZ   PHE  20           HZ       PHE  20   5.468   2.948   5.733
  149    H    THR  21           H        THR  21   1.796   9.195   2.099
  150    HA   THR  21           HA       THR  21  -0.886   9.556   1.270
  151    HB   THR  21           HB       THR  21   0.242  11.089  -0.473
  152    HG1  THR  21           1HG      THR  21   2.301  10.721  -0.612
  153   1HG2  THR  21          1HG2      THR  21   1.271  12.419   1.700
  154   2HG2  THR  21          2HG2      THR  21   0.002  11.412   2.396
  155   3HG2  THR  21          3HG2      THR  21  -0.380  12.533   1.090
  156    H    SER  22           H        SER  22  -1.893   9.147  -0.695
  157    HA   SER  22           HA       SER  22  -1.484   6.742  -1.944
  158   1HB   SER  22          2HB       SER  22  -3.542   7.849  -2.356
  159   2HB   SER  22          1HB       SER  22  -2.734   9.291  -2.968
  160    HG   SER  22           HG       SER  22  -2.450   6.795  -4.253
  161    H    ALA  23           H        ALA  23   0.103   9.777  -2.518
  162    HA   ALA  23           HA       ALA  23   1.273   9.210  -5.020
  163   1HB   ALA  23          1HB       ALA  23   2.411  10.990  -2.873
  164   2HB   ALA  23          2HB       ALA  23   1.073  11.462  -3.921
  165   3HB   ALA  23          3HB       ALA  23   2.654  11.107  -4.616
  166    H    GLN  24           H        GLN  24   2.407   8.781  -1.687
  167    HA   GLN  24           HA       GLN  24   4.948   7.739  -2.414
  168   1HB   GLN  24          2HB       GLN  24   4.199   8.754  -0.159
  169   2HB   GLN  24          1HB       GLN  24   3.566   7.151   0.191
  170   1HG   GLN  24          2HG       GLN  24   5.652   7.071   1.152
  171   2HG   GLN  24          1HG       GLN  24   5.945   6.346  -0.428
  172   1HE2  GLN  24          1HE2      GLN  24   8.062   6.860  -0.624
  173   2HE2  GLN  24          2HE2      GLN  24   8.657   8.478  -0.740
  174    H    MET  25           H        MET  25   1.797   6.363  -1.928
  175    HA   MET  25           HA       MET  25   2.653   3.641  -1.774
  176   1HB   MET  25          2HB       MET  25  -0.007   4.965  -2.266
  177   2HB   MET  25          1HB       MET  25   0.179   3.221  -2.367
  178   1HG   MET  25          2HG       MET  25   0.684   4.949   0.042
  179   2HG   MET  25          1HG       MET  25  -0.657   3.832  -0.200
  180   1HE   MET  25          1HE       MET  25   1.378   1.433  -1.709
  181   2HE   MET  25          2HE       MET  25  -0.158   1.279  -0.857
  182   3HE   MET  25          3HE       MET  25   1.254   0.386  -0.295
  183    H    GLN  26           H        GLN  26   1.305   5.686  -4.333
  184    HA   GLN  26           HA       GLN  26   1.245   3.767  -6.368
  185   1HB   GLN  26          2HB       GLN  26   0.074   5.823  -6.683
  186   2HB   GLN  26          1HB       GLN  26   1.531   6.772  -6.424
  187   1HG   GLN  26          2HG       GLN  26   1.039   6.825  -8.740
  188   2HG   GLN  26          1HG       GLN  26   2.452   5.794  -8.524
  189   1HE2  GLN  26          1HE2      GLN  26   2.025   3.447  -8.433
  190   2HE2  GLN  26          2HE2      GLN  26   0.772   2.806  -9.434
  191    H    THR  27           H        THR  27   3.834   5.811  -5.163
  192    HA   THR  27           HA       THR  27   5.675   5.350  -7.253
  193    HB   THR  27           HB       THR  27   6.329   5.939  -4.363
  194    HG1  THR  27           1HG      THR  27   5.727   7.759  -6.452
  195   1HG2  THR  27          1HG2      THR  27   7.912   5.839  -6.784
  196   2HG2  THR  27          2HG2      THR  27   8.419   5.943  -5.098
  197   3HG2  THR  27          3HG2      THR  27   7.998   7.408  -5.983
  198    H    TRP  28           H        TRP  28   5.653   3.986  -3.951
  199    HA   TRP  28           HA       TRP  28   7.600   2.053  -4.344
  200   1HB   TRP  28          2HB       TRP  28   5.252   2.233  -2.478
  201   2HB   TRP  28          1HB       TRP  28   6.313   0.832  -2.463
  202    HD1  TRP  28           HD       TRP  28   9.121   2.223  -2.733
  203    HE1  TRP  28           1HE      TRP  28  10.044   3.665  -0.808
  204    HE3  TRP  28           3HE      TRP  28   4.728   3.303  -0.350
  205    HZ2  TRP  28           2HZ      TRP  28   9.040   5.073   1.423
  206    HZ3  TRP  28           3HZ      TRP  28   4.796   4.706   1.670
  207    HH2  TRP  28           HH       TRP  28   6.908   5.570   2.539
  208    H    VAL  29           H        VAL  29   4.107   1.865  -4.854
  209    HA   VAL  29           HA       VAL  29   4.053  -0.879  -5.570
  210    HB   VAL  29           HB       VAL  29   2.098   1.325  -6.250
  211   1HG1  VAL  29          1HG1      VAL  29   1.802  -0.555  -7.742
  212   2HG1  VAL  29          2HG1      VAL  29   0.480  -0.506  -6.576
  213   3HG1  VAL  29          3HG1      VAL  29   1.788  -1.671  -6.377
  214   1HG2  VAL  29          1HG2      VAL  29   0.975   0.875  -4.287
  215   2HG2  VAL  29          2HG2      VAL  29   2.654   0.681  -3.785
  216   3HG2  VAL  29          3HG2      VAL  29   1.670  -0.739  -4.136
  217    H    SER  30           H        SER  30   4.558   2.092  -7.357
  218    HA   SER  30           HA       SER  30   4.420   0.773  -9.929
  219   1HB   SER  30          2HB       SER  30   4.900   2.966 -10.869
  220   2HB   SER  30          1HB       SER  30   3.648   3.115  -9.637
  221    HG   SER  30           HG       SER  30   5.494   4.667  -9.612
  222    H    GLU  31           H        GLU  31   6.898   2.053  -7.768
  223    HA   GLU  31           HA       GLU  31   9.110   1.884  -9.445
  224   1HB   GLU  31          2HB       GLU  31   8.768   2.666  -6.901
  225   2HB   GLU  31          1HB       GLU  31   9.488   1.090  -6.610
  226   1HG   GLU  31          2HG       GLU  31  10.870   2.709  -8.621
  227   2HG   GLU  31          1HG       GLU  31  10.873   3.387  -6.993
  228    H    GLY  32           H        GLY  32   7.319  -0.630  -7.846
  229   1HA   GLY  32          2HA       GLY  32   7.431  -2.866  -8.760
  230   2HA   GLY  32          1HA       GLY  32   9.140  -2.601  -9.061
  231    H    TYR  33           H        TYR  33   8.324  -1.338  -6.076
  232    HA   TYR  33           HA       TYR  33   9.931  -3.057  -4.611
  233   1HB   TYR  33          2HB       TYR  33   7.968  -0.952  -3.989
  234   2HB   TYR  33          1HB       TYR  33   8.212  -2.128  -2.702
  235    HD1  TYR  33           1HD      TYR  33   9.624   0.679  -4.500
  236    HD2  TYR  33           2HD      TYR  33  10.488  -2.435  -1.734
  237    HE1  TYR  33           1HE      TYR  33  11.672   1.859  -3.821
  238    HE2  TYR  33           2HE      TYR  33  12.538  -1.263  -1.046
  239    HH   TYR  33           HH       TYR  33  13.986   1.062  -2.750
  240    H    PHE  34           H        PHE  34   6.455  -3.193  -5.199
  241    HA   PHE  34           HA       PHE  34   6.320  -5.714  -3.701
  242   1HB   PHE  34          2HB       PHE  34   3.890  -4.385  -4.834
  243   2HB   PHE  34          1HB       PHE  34   4.044  -5.383  -3.397
  244    HD1  PHE  34           1HD      PHE  34   2.603  -2.715  -3.687
  245    HD2  PHE  34           2HD      PHE  34   6.522  -3.726  -2.370
  246    HE1  PHE  34           1HE      PHE  34   2.657  -0.689  -2.294
  247    HE2  PHE  34           2HE      PHE  34   6.581  -1.701  -0.977
  248    HZ   PHE  34           HZ       PHE  34   4.644  -0.180  -0.940
  249    HA   PRO  35           HA       PRO  35   6.513  -7.333  -7.969
  250   1HB   PRO  35          2HB       PRO  35   7.381  -9.801  -7.250
  251   2HB   PRO  35          1HB       PRO  35   8.465  -8.417  -7.428
  252   1HG   PRO  35          2HG       PRO  35   7.269  -9.579  -4.939
  253   2HG   PRO  35          1HG       PRO  35   8.930  -9.028  -5.230
  254   1HD   PRO  35          2HD       PRO  35   7.115  -7.516  -3.919
  255   2HD   PRO  35          1HD       PRO  35   8.377  -6.806  -4.944
  256    H    ASP  36           H        ASP  36   4.922  -8.566  -5.105
  257    HA   ASP  36           HA       ASP  36   3.042 -10.033  -6.824
  258   1HB   ASP  36          2HB       ASP  36   4.319 -11.501  -5.329
  259   2HB   ASP  36          1HB       ASP  36   3.782 -10.559  -3.943
  260    H    GLY  37           H        GLY  37   3.179  -7.149  -5.639
  261   1HA   GLY  37          2HA       GLY  37   1.562  -5.612  -5.078
  262   2HA   GLY  37          1HA       GLY  37   0.368  -6.886  -5.272
  263    H    VAL  38           H        VAL  38  -0.384  -5.442  -3.348
  264    HA   VAL  38           HA       VAL  38   0.185  -6.982  -0.960
  265    HB   VAL  38           HB       VAL  38   0.402  -4.789   0.372
  266   1HG1  VAL  38          1HG1      VAL  38   2.792  -5.398  -1.331
  267   2HG1  VAL  38          2HG1      VAL  38   2.176  -6.572  -0.167
  268   3HG1  VAL  38          3HG1      VAL  38   2.724  -4.989   0.384
  269   1HG2  VAL  38          1HG2      VAL  38   1.471  -2.942  -0.812
  270   2HG2  VAL  38          2HG2      VAL  38  -0.127  -3.272  -1.482
  271   3HG2  VAL  38          3HG2      VAL  38   1.317  -3.815  -2.336
  272    H    TYR  39           H        TYR  39  -1.319  -6.486   0.804
  273    HA   TYR  39           HA       TYR  39  -3.968  -6.070  -0.225
  274   1HB   TYR  39          2HB       TYR  39  -2.770  -7.282   2.085
  275   2HB   TYR  39          1HB       TYR  39  -4.014  -6.155   2.606
  276    HD1  TYR  39           1HD      TYR  39  -3.921  -8.266  -0.456
  277    HD2  TYR  39           2HD      TYR  39  -5.768  -7.534   3.305
  278    HE1  TYR  39           1HE      TYR  39  -5.641  -9.944  -0.981
  279    HE2  TYR  39           2HE      TYR  39  -7.492  -9.209   2.791
  280    HH   TYR  39           HH       TYR  39  -7.347 -11.478   0.892
  281    H    CYS  40           H        CYS  40  -3.935  -3.897  -0.901
  282    HA   CYS  40           HA       CYS  40  -3.438  -1.854   1.101
  283   1HB   CYS  40          2HB       CYS  40  -3.940  -1.776  -1.863
  284   2HB   CYS  40          1HB       CYS  40  -3.951  -0.310  -0.888
  285    HG   CYS  40           HG       CYS  40  -1.557  -0.366  -1.542
  286    H    ARG  41           H        ARG  41  -4.919  -0.206   1.621
  287    HA   ARG  41           HA       ARG  41  -7.658  -0.350   0.808
  288   1HB   ARG  41          2HB       ARG  41  -7.914  -2.074   2.378
  289   2HB   ARG  41          1HB       ARG  41  -6.789  -1.337   3.509
  290   1HG   ARG  41          2HG       ARG  41  -8.377  -0.114   4.484
  291   2HG   ARG  41          1HG       ARG  41  -9.141   0.296   2.948
  292   1HD   ARG  41          2HD       ARG  41 -10.704  -0.992   4.214
  293   2HD   ARG  41          1HD       ARG  41 -10.107  -2.008   2.902
  294    HE   ARG  41           HE       ARG  41  -9.197  -3.415   4.456
  295   1HH1  ARG  41          1HH1      ARG  41  -9.937  -0.373   5.997
  296   2HH1  ARG  41          2HH1      ARG  41  -9.585  -0.951   7.591
  297   1HH2  ARG  41          1HH2      ARG  41  -8.736  -4.178   6.553
  298   2HH2  ARG  41          2HH2      ARG  41  -8.901  -3.111   7.906
  299    H    LYS  42           H        LYS  42  -8.742   1.558   1.247
  300    HA   LYS  42           HA       LYS  42  -7.153   3.835   1.821
  301   1HB   LYS  42          2HB       LYS  42  -9.965   3.287   1.105
  302   2HB   LYS  42          1HB       LYS  42  -9.699   4.764   2.020
  303   1HG   LYS  42          2HG       LYS  42  -7.879   5.275   0.286
  304   2HG   LYS  42          1HG       LYS  42  -8.648   4.013  -0.678
  305   1HD   LYS  42          2HD       LYS  42 -10.570   5.899   0.421
  306   2HD   LYS  42          1HD       LYS  42  -9.363   6.685  -0.598
  307   1HE   LYS  42          2HE       LYS  42 -10.075   5.639  -2.485
  308   2HE   LYS  42          1HE       LYS  42 -10.549   4.176  -1.625
  309   1HZ   LYS  42          1HZ       LYS  42 -12.539   5.219  -0.888
  310   2HZ   LYS  42          2HZ       LYS  42 -12.428   5.481  -2.555
  311   3HZ   LYS  42          3HZ       LYS  42 -12.053   6.729  -1.477
  312    H    LEU  43           H        LEU  43  -7.182   5.223   3.588
  313    HA   LEU  43           HA       LEU  43  -7.707   3.950   6.118
  314   1HB   LEU  43          2HB       LEU  43  -6.941   6.826   5.885
  315   2HB   LEU  43          1HB       LEU  43  -6.471   5.645   7.092
  316    HG   LEU  43           HG       LEU  43  -5.416   5.887   4.277
  317   1HD1  LEU  43          1HD1      LEU  43  -3.987   6.054   6.920
  318   2HD1  LEU  43          2HD1      LEU  43  -4.548   7.454   6.006
  319   3HD1  LEU  43          3HD1      LEU  43  -3.327   6.383   5.319
  320   1HD2  LEU  43          1HD2      LEU  43  -5.163   3.663   4.376
  321   2HD2  LEU  43          2HD2      LEU  43  -5.464   3.608   6.113
  322   3HD2  LEU  43          3HD2      LEU  43  -3.860   4.022   5.509
  323    H    ASP  44           H        ASP  44  -8.668   7.128   4.804
  324    HA   ASP  44           HA       ASP  44 -11.159   6.898   6.354
  325   1HB   ASP  44          2HB       ASP  44  -9.490   8.774   6.899
  326   2HB   ASP  44          1HB       ASP  44  -9.986   9.491   5.369
  327    HA   PRO  45           HA       PRO  45 -13.176   7.265   6.426
  328   1HB   PRO  45          2HB       PRO  45 -15.349   5.855   5.683
  329   2HB   PRO  45          1HB       PRO  45 -15.266   7.612   5.514
  330   1HG   PRO  45          2HG       PRO  45 -14.840   5.490   3.445
  331   2HG   PRO  45          1HG       PRO  45 -15.741   7.011   3.317
  332   1HD   PRO  45          2HD       PRO  45 -13.208   6.694   2.370
  333   2HD   PRO  45          1HD       PRO  45 -13.841   8.249   2.945
  334    HA   PRO  46           HA       PRO  46 -11.460   3.199   7.036
  335   1HB   PRO  46          2HB       PRO  46 -12.203   2.809   9.602
  336   2HB   PRO  46          1HB       PRO  46 -10.927   3.946   9.151
  337   1HG   PRO  46          2HG       PRO  46 -13.797   4.485   9.813
  338   2HG   PRO  46          1HG       PRO  46 -12.345   5.370  10.323
  339   1HD   PRO  46          2HD       PRO  46 -13.953   6.200   8.291
  340   2HD   PRO  46          1HD       PRO  46 -12.213   6.539   8.349
  341    H    GLY  47           H        GLY  47 -12.203   1.240   6.490
  342   1HA   GLY  47          2HA       GLY  47 -14.885   0.440   7.336
  343   2HA   GLY  47          1HA       GLY  47 -14.513   0.419   5.619
  344    H    GLY  48           H        GLY  48 -13.449  -1.294   4.770
  345   1HA   GLY  48          2HA       GLY  48 -11.715  -3.018   6.129
  346   2HA   GLY  48          1HA       GLY  48 -13.329  -3.701   6.235
  347    H    GLN  49           H        GLN  49 -12.695  -5.499   5.001
  348    HA   GLN  49           HA       GLN  49 -12.251  -6.714   3.125
  349   1HB   GLN  49          2HB       GLN  49 -14.421  -4.965   2.683
  350   2HB   GLN  49          1HB       GLN  49 -13.500  -5.021   1.188
  351   1HG   GLN  49          2HG       GLN  49 -14.926  -6.764   0.853
  352   2HG   GLN  49          1HG       GLN  49 -13.574  -7.606   1.606
  353   1HE2  GLN  49          1HE2      GLN  49 -15.022  -9.253   2.244
  354   2HE2  GLN  49          2HE2      GLN  49 -16.070  -9.042   3.602
  355    H    PHE  50           H        PHE  50  -9.996  -5.922   3.436
  356    HA   PHE  50           HA       PHE  50  -8.713  -3.897   2.146
  357   1HB   PHE  50          2HB       PHE  50  -7.953  -6.579   3.061
  358   2HB   PHE  50          1HB       PHE  50  -6.934  -5.960   1.767
  359    HD1  PHE  50           1HD      PHE  50  -7.769  -5.766   5.260
  360    HD2  PHE  50           2HD      PHE  50  -5.752  -3.782   2.083
  361    HE1  PHE  50           1HE      PHE  50  -6.515  -4.427   6.899
  362    HE2  PHE  50           2HE      PHE  50  -4.494  -2.438   3.716
  363    HZ   PHE  50           HZ       PHE  50  -4.874  -2.762   6.128
  364    H    TYR  51           H        TYR  51  -7.379  -3.887   0.165
  365    HA   TYR  51           HA       TYR  51  -8.414  -5.572  -1.993
  366   1HB   TYR  51          2HB       TYR  51  -9.183  -2.884  -1.627
  367   2HB   TYR  51          1HB       TYR  51  -8.041  -2.884  -2.968
  368    HD1  TYR  51           1HD      TYR  51  -9.225  -2.710  -4.945
  369    HD2  TYR  51           2HD      TYR  51 -10.671  -5.324  -1.917
  370    HE1  TYR  51           1HE      TYR  51 -11.005  -3.472  -6.461
  371    HE2  TYR  51           2HE      TYR  51 -12.453  -6.095  -3.424
  372    HH   TYR  51           HH       TYR  51 -13.639  -4.768  -5.701
  373    H    ASN  52           H        ASN  52  -6.831  -6.349  -3.216
  374    HA   ASN  52           HA       ASN  52  -4.136  -5.940  -2.716
  375   1HB   ASN  52          2HB       ASN  52  -5.318  -7.816  -4.052
  376   2HB   ASN  52          1HB       ASN  52  -5.124  -6.748  -5.438
  377   1HD2  ASN  52          1HD2      ASN  52  -3.418  -8.525  -2.944
  378   2HD2  ASN  52          2HD2      ASN  52  -1.915  -8.637  -3.788
  379    H    SER  53           H        SER  53  -2.613  -4.543  -3.406
  380    HA   SER  53           HA       SER  53  -3.310  -2.051  -4.443
  381   1HB   SER  53          2HB       SER  53  -1.169  -2.801  -3.175
  382   2HB   SER  53          1HB       SER  53  -0.545  -3.180  -4.780
  383    HG   SER  53           HG       SER  53  -0.349  -0.910  -3.711
  384    H    LYS  54           H        LYS  54  -2.171  -4.959  -6.052
  385    HA   LYS  54           HA       LYS  54  -1.721  -3.798  -8.589
  386   1HB   LYS  54          2HB       LYS  54  -1.546  -6.379  -7.413
  387   2HB   LYS  54          1HB       LYS  54  -2.524  -6.528  -8.868
  388   1HG   LYS  54          2HG       LYS  54  -0.693  -5.320 -10.094
  389   2HG   LYS  54          1HG       LYS  54   0.287  -5.490  -8.637
  390   1HD   LYS  54          2HD       LYS  54  -0.590  -8.035  -8.971
  391   2HD   LYS  54          1HD       LYS  54  -0.484  -7.495 -10.648
  392   1HE   LYS  54          2HE       LYS  54   1.854  -6.568  -9.788
  393   2HE   LYS  54          1HE       LYS  54   1.658  -7.882  -8.628
  394   1HZ   LYS  54          1HZ       LYS  54   1.803  -9.460 -10.252
  395   2HZ   LYS  54          2HZ       LYS  54   2.812  -8.280 -10.921
  396   3HZ   LYS  54          3HZ       LYS  54   1.222  -8.444 -11.473
  397    H    ARG  55           H        ARG  55  -4.604  -4.377  -6.909
  398    HA   ARG  55           HA       ARG  55  -6.156  -4.452  -9.405
  399   1HB   ARG  55          2HB       ARG  55  -6.405  -5.898  -6.989
  400   2HB   ARG  55          1HB       ARG  55  -7.790  -4.819  -7.073
  401   1HG   ARG  55          2HG       ARG  55  -6.993  -6.581  -9.367
  402   2HG   ARG  55          1HG       ARG  55  -8.060  -7.131  -8.075
  403   1HD   ARG  55          2HD       ARG  55  -8.933  -4.571  -9.020
  404   2HD   ARG  55          1HD       ARG  55  -8.739  -5.670 -10.386
  405    HE   ARG  55           HE       ARG  55 -10.762  -5.771  -8.380
  406   1HH1  ARG  55          1HH1      ARG  55  -8.843  -7.754 -10.515
  407   2HH1  ARG  55          2HH1      ARG  55 -10.009  -9.031 -10.581
  408   1HH2  ARG  55          1HH2      ARG  55 -12.298  -7.449  -8.465
  409   2HH2  ARG  55          2HH2      ARG  55 -11.973  -8.858  -9.418
  410    H    ILE  56           H        ILE  56  -4.955  -2.171  -7.502
  411    HA   ILE  56           HA       ILE  56  -7.414  -0.559  -7.429
  412    HB   ILE  56           HB       ILE  56  -4.833  -0.214  -5.905
  413   1HG1  ILE  56          2HG1      ILE  56  -7.630  -0.979  -5.044
  414   2HG1  ILE  56          1HG1      ILE  56  -6.213  -2.024  -5.048
  415   1HG2  ILE  56          1HG2      ILE  56  -5.992   1.631  -4.744
  416   2HG2  ILE  56          2HG2      ILE  56  -7.333   1.475  -5.881
  417   3HG2  ILE  56          3HG2      ILE  56  -5.738   1.962  -6.458
  418   1HD1  ILE  56          1HD1      ILE  56  -5.458  -1.211  -3.105
  419   2HD1  ILE  56          2HD1      ILE  56  -7.134  -0.706  -2.888
  420   3HD1  ILE  56          3HD1      ILE  56  -5.938   0.443  -3.485
  421    H    ASP  57           H        ASP  57  -7.317   1.640  -8.118
  422    HA   ASP  57           HA       ASP  57  -5.209   2.133 -10.119
  423   1HB   ASP  57          2HB       ASP  57  -7.663   1.842 -10.868
  424   2HB   ASP  57          1HB       ASP  57  -7.926   3.431 -10.157
  425    H    PHE  58           H        PHE  58  -3.841   3.128  -8.571
  426    HA   PHE  58           HA       PHE  58  -4.579   5.229  -6.878
  427   1HB   PHE  58          2HB       PHE  58  -1.893   4.679  -8.154
  428   2HB   PHE  58          1HB       PHE  58  -2.167   5.760  -6.792
  429    HD1  PHE  58           1HD      PHE  58  -1.921   2.295  -7.883
  430    HD2  PHE  58           2HD      PHE  58  -2.717   4.873  -4.593
  431    HE1  PHE  58           1HE      PHE  58  -1.630   0.404  -6.335
  432    HE2  PHE  58           2HE      PHE  58  -2.426   2.989  -3.039
  433    HZ   PHE  58           HZ       PHE  58  -1.881   0.750  -3.909
  434    H    ASP  59           H        ASP  59  -4.101   5.166 -10.276
  435    HA   ASP  59           HA       ASP  59  -3.561   7.982 -10.549
  436   1HB   ASP  59          2HB       ASP  59  -2.903   5.990 -12.133
  437   2HB   ASP  59          1HB       ASP  59  -4.495   6.283 -12.827
  438    H    LEU  60           H        LEU  60  -6.345   6.182  -9.973
  439    HA   LEU  60           HA       LEU  60  -8.088   8.041 -11.370
  440   1HB   LEU  60          2HB       LEU  60  -8.494   5.384 -10.059
  441   2HB   LEU  60          1HB       LEU  60  -9.869   6.436 -10.339
  442    HG   LEU  60           HG       LEU  60  -8.003   5.460 -12.503
  443   1HD1  LEU  60          1HD1      LEU  60 -10.815   4.546 -12.301
  444   2HD1  LEU  60          2HD1      LEU  60  -9.640   3.829 -11.200
  445   3HD1  LEU  60          3HD1      LEU  60  -9.397   3.721 -12.943
  446   1HD2  LEU  60          1HD2      LEU  60 -10.132   6.186 -13.845
  447   2HD2  LEU  60          2HD2      LEU  60  -8.916   7.376 -13.377
  448   3HD2  LEU  60          3HD2      LEU  60 -10.406   7.223 -12.445
  449    H    TYR  61           H        TYR  61  -6.507   8.832  -9.029
  450    HA   TYR  61           HA       TYR  61  -8.728   9.812  -7.391
  451   1HB   TYR  61          2HB       TYR  61  -6.136   8.756  -6.249
  452   2HB   TYR  61          1HB       TYR  61  -7.493   9.408  -5.340
  453    HD1  TYR  61           1HD      TYR  61  -9.828   8.163  -6.059
  454    HD2  TYR  61           2HD      TYR  61  -5.927   6.471  -6.175
  455    HE1  TYR  61           1HE      TYR  61 -10.807   5.912  -5.908
  456    HE2  TYR  61           2HE      TYR  61  -6.894   4.215  -6.026
  457    HH   TYR  61           HH       TYR  61  -8.790   3.042  -5.580
  458    H    THR  62           H        THR  62  -5.257  10.087  -8.103
  459    HA   THR  62           HA       THR  62  -4.868  12.639  -7.020
  460    HB   THR  62           HB       THR  62  -2.957  12.717  -8.768
  461    HG1  THR  62           1HG      THR  62  -3.551  11.255 -10.255
  462   1HG2  THR  62          1HG2      THR  62  -3.100  10.471  -6.773
  463   2HG2  THR  62          2HG2      THR  62  -2.481  12.099  -6.497
  464   3HG2  THR  62          3HG2      THR  62  -1.633  11.007  -7.593
  465   1H    SER  63          1HT       SER  63  18.334  12.741   0.346
  466   2H    SER  63          2HT       SER  63  19.393  11.724   1.235
  467   3H    SER  63          3HT       SER  63  17.695  11.493   1.333
  468    HA   SER  63           HA       SER  63  19.447  11.049  -0.987
  469   1HB   SER  63          2HB       SER  63  18.041   9.356   1.036
  470   2HB   SER  63          1HB       SER  63  18.198   8.736  -0.608
  471    HG   SER  63           HG       SER  63  20.436   8.956  -0.428
  472    H    HIS  64           H        HIS  64  18.048   9.612  -2.578
  473    HA   HIS  64           HA       HIS  64  16.113  11.322  -3.698
  474   1HB   HIS  64          2HB       HIS  64  16.746   8.416  -4.240
  475   2HB   HIS  64          1HB       HIS  64  15.628   9.370  -5.210
  476    HD1  HIS  64           1HD      HIS  64  19.190   8.618  -4.769
  477    HD2  HIS  64           2HD      HIS  64  16.902  11.536  -6.644
  478    HE1  HIS  64           1HE      HIS  64  20.755   9.782  -6.355
  479    HE2  HIS  64           2HE      HIS  64  19.339  11.517  -7.509
  480    H    ARG  65           H        ARG  65  15.406   7.943  -2.865
  481    HA   ARG  65           HA       ARG  65  13.084   8.804  -1.318
  482   1HB   ARG  65          2HB       ARG  65  12.309   8.519  -3.651
  483   2HB   ARG  65          1HB       ARG  65  12.878   6.855  -3.619
  484   1HG   ARG  65          2HG       ARG  65  11.296   6.360  -1.813
  485   2HG   ARG  65          1HG       ARG  65  10.711   8.022  -1.886
  486   1HD   ARG  65          2HD       ARG  65  10.469   5.863  -3.962
  487   2HD   ARG  65          1HD       ARG  65   9.179   6.743  -3.145
  488    HE   ARG  65           HE       ARG  65  10.653   7.582  -5.463
  489   1HH1  ARG  65          1HH1      ARG  65   8.788   8.669  -2.721
  490   2HH1  ARG  65          2HH1      ARG  65   8.336  10.166  -3.463
  491   1HH2  ARG  65          1HH2      ARG  65  10.058   9.551  -6.442
  492   2HH2  ARG  65          2HH2      ARG  65   9.056  10.667  -5.576
  493    HA   PRO  66           HA       PRO  66  14.418   5.297   1.051
  494   1HB   PRO  66          2HB       PRO  66  12.581   5.373   2.980
  495   2HB   PRO  66          1HB       PRO  66  13.781   6.662   2.809
  496   1HG   PRO  66          2HG       PRO  66  10.907   6.626   1.994
  497   2HG   PRO  66          1HG       PRO  66  11.854   7.945   2.703
  498   1HD   PRO  66          2HD       PRO  66  11.282   7.651  -0.004
  499   2HD   PRO  66          1HD       PRO  66  12.589   8.646   0.664
  500    HA   PRO  67           HA       PRO  67  11.770   1.868   0.103
  501   1HB   PRO  67          2HB       PRO  67  12.599   0.059   1.884
  502   2HB   PRO  67          1HB       PRO  67  13.697   0.703   0.659
  503   1HG   PRO  67          2HG       PRO  67  13.538   1.306   3.563
  504   2HG   PRO  67          1HG       PRO  67  14.948   1.295   2.491
  505   1HD   PRO  67          2HD       PRO  67  13.449   3.554   3.328
  506   2HD   PRO  67          1HD       PRO  67  14.731   3.519   2.105
  507    HA   PRO  68           HA       PRO  68   8.210   1.864   2.764
  508   1HB   PRO  68          2HB       PRO  68   6.875  -0.246   1.778
  509   2HB   PRO  68          1HB       PRO  68   7.082   1.238   0.842
  510   1HG   PRO  68          2HG       PRO  68   8.576  -1.347   0.654
  511   2HG   PRO  68          1HG       PRO  68   7.988  -0.296  -0.647
  512   1HD   PRO  68          2HD       PRO  68  10.582  -0.325   0.253
  513   2HD   PRO  68          1HD       PRO  68   9.818   1.073  -0.528
  514    HA   PRO  69           HA       PRO  69   8.959  -0.855   6.170
  515   1HB   PRO  69          2HB       PRO  69   6.397  -1.231   7.082
  516   2HB   PRO  69          1HB       PRO  69   7.360   0.214   7.404
  517   1HG   PRO  69          2HG       PRO  69   5.253  -0.234   5.328
  518   2HG   PRO  69          1HG       PRO  69   5.523   1.180   6.362
  519   1HD   PRO  69          2HD       PRO  69   6.305   1.150   3.795
  520   2HD   PRO  69          1HD       PRO  69   7.272   1.960   5.047
  521    H    GLY  70           H        GLY  70   8.029  -2.965   7.156
  522   1HA   GLY  70          2HA       GLY  70   7.276  -5.144   6.899
  523   2HA   GLY  70          1HA       GLY  70   6.716  -4.731   5.287
  524    H    HIS  71           H        HIS  71   8.501  -4.360   3.661
  525    HA   HIS  71           HA       HIS  71  10.041  -5.434   2.361
  526   1HB   HIS  71          2HB       HIS  71  12.270  -5.154   3.135
  527   2HB   HIS  71          1HB       HIS  71  11.336  -3.857   3.849
  528    HD1  HIS  71           1HD      HIS  71  12.839  -3.485   5.772
  529    HD2  HIS  71           2HD      HIS  71  11.572  -7.417   5.559
  530    HE1  HIS  71           1HE      HIS  71  13.553  -4.531   7.946
  531    HE2  HIS  71           2HE      HIS  71  12.841  -6.940   7.757
  532    H    ARG  72           H        ARG  72  12.143  -7.138   2.918
  533    HA   ARG  72           HA       ARG  72  11.656  -9.320   4.526
  534   1HB   ARG  72          2HB       ARG  72  10.847 -10.952   2.707
  535   2HB   ARG  72          1HB       ARG  72   9.655  -9.893   3.447
  536   1HG   ARG  72          2HG       ARG  72   9.299  -8.730   1.542
  537   2HG   ARG  72          1HG       ARG  72  10.971  -8.892   1.000
  538   1HD   ARG  72          2HD       ARG  72   9.395 -11.383   1.114
  539   2HD   ARG  72          1HD       ARG  72   8.901 -10.212  -0.107
  540    HE   ARG  72           HE       ARG  72  11.637 -10.439  -0.341
  541   1HH1  ARG  72          1HH1      ARG  72   8.888 -12.574  -0.598
  542   2HH1  ARG  72          2HH1      ARG  72   9.649 -13.620  -1.749
  543   1HH2  ARG  72          1HH2      ARG  72  12.639 -11.814  -1.857
  544   2HH2  ARG  72          2HH2      ARG  72  11.778 -13.189  -2.464
  545    H    VAL  73           H        VAL  73  13.742  -9.804   4.717
  546    HA   VAL  73           HA       VAL  73  15.201 -10.618   2.314
  547    HB   VAL  73           HB       VAL  73  17.267  -9.474   3.332
  548   1HG1  VAL  73          1HG1      VAL  73  15.796  -8.815   1.283
  549   2HG1  VAL  73          2HG1      VAL  73  16.995  -7.681   1.910
  550   3HG1  VAL  73          3HG1      VAL  73  15.291  -7.479   2.318
  551   1HG2  VAL  73          1HG2      VAL  73  15.144  -7.759   4.615
  552   2HG2  VAL  73          2HG2      VAL  73  16.891  -7.533   4.696
  553   3HG2  VAL  73          3HG2      VAL  73  16.144  -8.921   5.486
  Start of MODEL   14
    1   1H    ASP   1          1HT       ASP   1  -2.698  13.514  -2.570
    2   2H    ASP   1          2HT       ASP   1  -4.331  12.997  -2.662
    3   3H    ASP   1          3HT       ASP   1  -3.091  11.869  -2.295
    4    HA   ASP   1           HA       ASP   1  -2.613  13.353  -0.326
    5   1HB   ASP   1          2HB       ASP   1  -5.488  14.104  -0.902
    6   2HB   ASP   1          1HB       ASP   1  -4.496  14.665   0.441
    7    H    VAL   2           H        VAL   2  -5.254  11.460  -1.646
    8    HA   VAL   2           HA       VAL   2  -6.261  10.364   0.725
    9    HB   VAL   2           HB       VAL   2  -6.115   8.973  -1.953
   10   1HG1  VAL   2          1HG1      VAL   2  -8.092   8.681   0.307
   11   2HG1  VAL   2          2HG1      VAL   2  -6.777   7.558  -0.047
   12   3HG1  VAL   2          3HG1      VAL   2  -8.085   7.779  -1.209
   13   1HG2  VAL   2          1HG2      VAL   2  -7.101  11.041  -2.440
   14   2HG2  VAL   2          2HG2      VAL   2  -7.987  11.078  -0.915
   15   3HG2  VAL   2          3HG2      VAL   2  -8.465   9.953  -2.185
   16    H    MET   3           H        MET   3  -5.384   9.038   2.161
   17    HA   MET   3           HA       MET   3  -2.828   7.798   1.649
   18   1HB   MET   3          2HB       MET   3  -4.539   7.409   4.097
   19   2HB   MET   3          1HB       MET   3  -2.792   7.266   3.959
   20   1HG   MET   3          2HG       MET   3  -4.294   9.846   3.611
   21   2HG   MET   3          1HG       MET   3  -3.594   9.308   5.138
   22   1HE   MET   3          1HE       MET   3  -0.262   9.833   5.285
   23   2HE   MET   3          2HE       MET   3  -1.883   9.990   5.962
   24   3HE   MET   3          3HE       MET   3  -1.070  11.400   5.284
   25    H    TRP   4           H        TRP   4  -2.429   5.487   2.067
   26    HA   TRP   4           HA       TRP   4  -4.756   3.745   1.798
   27   1HB   TRP   4          2HB       TRP   4  -2.539   3.878  -0.244
   28   2HB   TRP   4          1HB       TRP   4  -3.677   2.539  -0.126
   29    HD1  TRP   4           HD       TRP   4  -3.689   6.347  -0.804
   30    HE1  TRP   4           1HE      TRP   4  -5.699   6.880  -2.322
   31    HE3  TRP   4           3HE      TRP   4  -5.817   1.707  -0.983
   32    HZ2  TRP   4           2HZ      TRP   4  -7.897   5.511  -3.445
   33    HZ3  TRP   4           3HZ      TRP   4  -7.870   1.401  -2.299
   34    HH2  TRP   4           HH       TRP   4  -8.889   3.264  -3.505
   35    H    GLU   5           H        GLU   5  -4.529   2.219   3.273
   36    HA   GLU   5           HA       GLU   5  -1.940   1.531   4.351
   37   1HB   GLU   5          2HB       GLU   5  -3.306  -0.076   5.755
   38   2HB   GLU   5          1HB       GLU   5  -3.698   1.627   5.943
   39   1HG   GLU   5          2HG       GLU   5  -5.682   1.411   4.688
   40   2HG   GLU   5          1HG       GLU   5  -5.221  -0.186   4.100
   41    H    TYR   6           H        TYR   6  -0.770  -0.303   3.957
   42    HA   TYR   6           HA       TYR   6  -1.966  -2.312   2.171
   43   1HB   TYR   6          2HB       TYR   6  -0.100  -2.396   0.786
   44   2HB   TYR   6          1HB       TYR   6  -0.264  -0.675   1.103
   45    HD1  TYR   6           1HD      TYR   6   1.626  -3.714   2.074
   46    HD2  TYR   6           2HD      TYR   6   1.497   0.539   2.107
   47    HE1  TYR   6           1HE      TYR   6   3.955  -3.656   2.859
   48    HE2  TYR   6           2HE      TYR   6   3.827   0.606   2.892
   49    HH   TYR   6           HH       TYR   6   5.423  -2.029   4.149
   50    H    LYS   7           H        LYS   7  -1.605  -4.405   2.648
   51    HA   LYS   7           HA       LYS   7   0.229  -5.007   4.866
   52   1HB   LYS   7          2HB       LYS   7  -2.086  -5.081   5.671
   53   2HB   LYS   7          1HB       LYS   7  -2.505  -6.208   4.390
   54   1HG   LYS   7          2HG       LYS   7  -0.968  -7.858   5.346
   55   2HG   LYS   7          1HG       LYS   7  -0.573  -6.725   6.641
   56   1HD   LYS   7          2HD       LYS   7  -3.308  -7.867   6.063
   57   2HD   LYS   7          1HD       LYS   7  -2.233  -8.374   7.367
   58   1HE   LYS   7          2HE       LYS   7  -2.309  -6.035   8.235
   59   2HE   LYS   7          1HE       LYS   7  -3.528  -5.675   7.015
   60   1HZ   LYS   7          1HZ       LYS   7  -4.875  -7.503   8.004
   61   2HZ   LYS   7          2HZ       LYS   7  -4.645  -6.177   9.029
   62   3HZ   LYS   7          3HZ       LYS   7  -3.750  -7.592   9.266
   63    H    TRP   8           H        TRP   8   1.671  -6.559   4.444
   64    HA   TRP   8           HA       TRP   8   1.977  -7.658   1.895
   65   1HB   TRP   8          2HB       TRP   8   3.119  -8.592   4.536
   66   2HB   TRP   8          1HB       TRP   8   3.670  -9.139   2.956
   67    HD1  TRP   8           HD       TRP   8   4.364  -6.578   5.510
   68    HE1  TRP   8           1HE      TRP   8   5.948  -4.775   4.587
   69    HE3  TRP   8           3HE      TRP   8   4.103  -7.732   0.535
   70    HZ2  TRP   8           2HZ      TRP   8   6.958  -3.950   2.085
   71    HZ3  TRP   8           3HZ      TRP   8   5.410  -6.387  -1.057
   72    HH2  TRP   8           HH       TRP   8   6.808  -4.535  -0.295
   73    H    GLU   9           H        GLU   9   0.858  -9.225   4.888
   74    HA   GLU   9           HA       GLU   9  -0.607 -11.153   3.221
   75   1HB   GLU   9          2HB       GLU   9   1.328 -11.714   5.433
   76   2HB   GLU   9          1HB       GLU   9  -0.036 -12.797   5.191
   77   1HG   GLU   9          2HG       GLU   9   0.683 -13.355   3.004
   78   2HG   GLU   9          1HG       GLU   9   1.886 -12.068   3.002
   79    H    ASN  10           H        ASN  10  -2.607 -11.732   3.949
   80    HA   ASN  10           HA       ASN  10  -3.756 -10.062   6.004
   81   1HB   ASN  10          2HB       ASN  10  -4.750 -11.056   3.688
   82   2HB   ASN  10          1HB       ASN  10  -5.382 -12.238   4.829
   83   1HD2  ASN  10          1HD2      ASN  10  -7.214 -11.769   5.809
   84   2HD2  ASN  10          2HD2      ASN  10  -7.927 -10.199   5.930
   85    H    THR  11           H        THR  11  -2.044 -11.348   7.427
   86    HA   THR  11           HA       THR  11  -2.997 -13.890   8.399
   87    HB   THR  11           HB       THR  11  -1.045 -14.011   9.639
   88    HG1  THR  11           1HG      THR  11  -0.351 -12.423  10.818
   89   1HG2  THR  11          1HG2      THR  11   0.689 -13.548   8.259
   90   2HG2  THR  11          2HG2      THR  11   0.089 -11.939   7.857
   91   3HG2  THR  11          3HG2      THR  11  -0.643 -13.363   7.119
   92    H    GLY  12           H        GLY  12  -2.696 -13.824  11.078
   93   1HA   GLY  12          2HA       GLY  12  -5.120 -12.608  11.952
   94   2HA   GLY  12          1HA       GLY  12  -3.942 -13.423  12.973
   95    H    ASP  13           H        ASP  13  -1.990 -11.390  11.555
   96    HA   ASP  13           HA       ASP  13  -2.718  -8.957  12.973
   97   1HB   ASP  13          2HB       ASP  13  -0.056 -10.304  13.464
   98   2HB   ASP  13          1HB       ASP  13  -0.653  -8.826  14.214
   99    H    ALA  14           H        ALA  14   0.068 -10.465  11.315
  100    HA   ALA  14           HA       ALA  14   1.498  -9.656   9.726
  101   1HB   ALA  14          1HB       ALA  14  -0.433  -8.166   8.187
  102   2HB   ALA  14          2HB       ALA  14  -1.104  -9.703   8.730
  103   3HB   ALA  14          3HB       ALA  14   0.393  -9.675   7.799
  104    H    GLU  15           H        GLU  15   1.839  -7.507   8.257
  105    HA   GLU  15           HA       GLU  15   2.200  -5.376  10.229
  106   1HB   GLU  15          2HB       GLU  15   3.322  -5.247   7.458
  107   2HB   GLU  15          1HB       GLU  15   3.971  -4.590   8.953
  108   1HG   GLU  15          2HG       GLU  15   3.954  -7.477   8.112
  109   2HG   GLU  15          1HG       GLU  15   5.350  -6.405   8.198
  110    H    LEU  16           H        LEU  16   1.223  -3.423  10.071
  111    HA   LEU  16           HA       LEU  16  -0.609  -3.050   7.794
  112   1HB   LEU  16          2HB       LEU  16  -1.402  -3.334  10.309
  113   2HB   LEU  16          1HB       LEU  16  -1.041  -1.619  10.368
  114    HG   LEU  16           HG       LEU  16  -3.371  -1.860   9.901
  115   1HD1  LEU  16          1HD1      LEU  16  -3.581  -0.646   7.850
  116   2HD1  LEU  16          2HD1      LEU  16  -2.014  -1.226   7.287
  117   3HD1  LEU  16          3HD1      LEU  16  -2.104  -0.116   8.655
  118   1HD2  LEU  16          1HD2      LEU  16  -3.901  -3.883   9.053
  119   2HD2  LEU  16          2HD2      LEU  16  -2.422  -3.991   8.098
  120   3HD2  LEU  16          3HD2      LEU  16  -3.781  -3.033   7.513
  121    H    TYR  17           H        TYR  17   0.974  -1.971   6.565
  122    HA   TYR  17           HA       TYR  17   1.713   0.702   7.561
  123   1HB   TYR  17          2HB       TYR  17   2.957  -0.812   5.254
  124   2HB   TYR  17          1HB       TYR  17   3.534   0.689   5.967
  125    HD1  TYR  17           1HD      TYR  17   4.273  -2.627   5.736
  126    HD2  TYR  17           2HD      TYR  17   3.766   0.368   8.714
  127    HE1  TYR  17           1HE      TYR  17   5.703  -3.915   7.264
  128    HE2  TYR  17           2HE      TYR  17   5.195  -0.912  10.251
  129    HH   TYR  17           HH       TYR  17   7.182  -3.385   9.288
  130    H    GLY  18           H        GLY  18   2.204   2.028   5.241
  131   1HA   GLY  18          2HA       GLY  18   1.224   2.513   3.106
  132   2HA   GLY  18          1HA       GLY  18  -0.242   1.749   3.664
  133    HA   PRO  19           HA       PRO  19  -1.572   5.455   6.121
  134   1HB   PRO  19          2HB       PRO  19   1.098   6.231   7.231
  135   2HB   PRO  19          1HB       PRO  19  -0.499   6.331   7.982
  136   1HG   PRO  19          2HG       PRO  19   1.188   4.361   8.606
  137   2HG   PRO  19          1HG       PRO  19  -0.556   4.073   8.479
  138   1HD   PRO  19          2HD       PRO  19   1.630   3.251   6.659
  139   2HD   PRO  19          1HD       PRO  19   0.040   2.512   6.927
  140    H    PHE  20           H        PHE  20   1.509   5.562   4.500
  141    HA   PHE  20           HA       PHE  20   1.821   8.220   3.869
  142   1HB   PHE  20          2HB       PHE  20   2.330   6.337   1.640
  143   2HB   PHE  20          1HB       PHE  20   3.386   7.548   2.355
  144    HD1  PHE  20           1HD      PHE  20   2.240   4.090   2.497
  145    HD2  PHE  20           2HD      PHE  20   4.783   7.009   4.265
  146    HE1  PHE  20           1HE      PHE  20   3.446   2.308   3.691
  147    HE2  PHE  20           2HE      PHE  20   5.995   5.230   5.460
  148    HZ   PHE  20           HZ       PHE  20   5.328   2.882   5.170
  149    H    THR  21           H        THR  21   1.509   9.227   1.678
  150    HA   THR  21           HA       THR  21  -1.296   9.213   1.050
  151    HB   THR  21           HB       THR  21  -0.848  11.106  -0.315
  152    HG1  THR  21           1HG      THR  21   1.174  11.613  -1.054
  153   1HG2  THR  21          1HG2      THR  21   0.587  12.564   1.056
  154   2HG2  THR  21          2HG2      THR  21   1.070  11.156   2.000
  155   3HG2  THR  21          3HG2      THR  21  -0.612  11.684   2.002
  156    H    SER  22           H        SER  22  -2.206   8.860  -1.046
  157    HA   SER  22           HA       SER  22  -1.564   6.491  -2.278
  158   1HB   SER  22          2HB       SER  22  -3.686   7.536  -2.727
  159   2HB   SER  22          1HB       SER  22  -2.902   8.943  -3.446
  160    HG   SER  22           HG       SER  22  -3.271   6.372  -4.490
  161    H    ALA  23           H        ALA  23  -0.180   9.637  -2.738
  162    HA   ALA  23           HA       ALA  23   1.133   9.257  -5.189
  163   1HB   ALA  23          1HB       ALA  23   0.815  11.346  -3.534
  164   2HB   ALA  23          2HB       ALA  23   2.048  11.293  -4.794
  165   3HB   ALA  23          3HB       ALA  23   2.472  10.899  -3.128
  166    H    GLN  24           H        GLN  24   2.429   9.023  -1.872
  167    HA   GLN  24           HA       GLN  24   4.917   7.951  -2.614
  168   1HB   GLN  24          2HB       GLN  24   4.246   8.994  -0.376
  169   2HB   GLN  24          1HB       GLN  24   3.543   7.433   0.017
  170   1HG   GLN  24          2HG       GLN  24   5.647   7.355   0.987
  171   2HG   GLN  24          1HG       GLN  24   5.842   6.462  -0.520
  172   1HE2  GLN  24          1HE2      GLN  24   8.024   6.802  -0.670
  173   2HE2  GLN  24          2HE2      GLN  24   8.717   8.347  -1.010
  174    H    MET  25           H        MET  25   1.853   6.477  -1.813
  175    HA   MET  25           HA       MET  25   2.735   3.803  -1.652
  176   1HB   MET  25          2HB       MET  25   0.088   5.130  -2.088
  177   2HB   MET  25          1HB       MET  25   0.227   3.396  -2.343
  178   1HG   MET  25          2HG       MET  25   0.884   4.868   0.199
  179   2HG   MET  25          1HG       MET  25  -0.563   3.908  -0.104
  180   1HE   MET  25          1HE       MET  25   1.202   0.376  -0.747
  181   2HE   MET  25          2HE       MET  25   1.495   1.629  -1.953
  182   3HE   MET  25          3HE       MET  25  -0.117   1.425  -1.266
  183    H    GLN  26           H        GLN  26   1.275   5.640  -4.326
  184    HA   GLN  26           HA       GLN  26   1.247   3.643  -6.247
  185   1HB   GLN  26          2HB       GLN  26   0.151   5.760  -6.630
  186   2HB   GLN  26          1HB       GLN  26   1.684   6.616  -6.563
  187   1HG   GLN  26          2HG       GLN  26   0.638   6.192  -8.853
  188   2HG   GLN  26          1HG       GLN  26   2.353   5.843  -8.647
  189   1HE2  GLN  26          1HE2      GLN  26   2.625   4.282 -10.135
  190   2HE2  GLN  26          2HE2      GLN  26   1.800   2.764 -10.127
  191    H    THR  27           H        THR  27   3.890   5.718  -5.200
  192    HA   THR  27           HA       THR  27   5.716   5.115  -7.242
  193    HB   THR  27           HB       THR  27   6.258   5.804  -4.346
  194    HG1  THR  27           1HG      THR  27   5.585   7.684  -4.939
  195   1HG2  THR  27          1HG2      THR  27   8.062   5.330  -6.589
  196   2HG2  THR  27          2HG2      THR  27   8.388   5.395  -4.856
  197   3HG2  THR  27          3HG2      THR  27   8.293   6.886  -5.793
  198    H    TRP  28           H        TRP  28   5.572   3.753  -3.942
  199    HA   TRP  28           HA       TRP  28   7.455   1.738  -4.342
  200   1HB   TRP  28          2HB       TRP  28   5.142   2.001  -2.433
  201   2HB   TRP  28          1HB       TRP  28   6.226   0.617  -2.397
  202    HD1  TRP  28           HD       TRP  28   9.018   1.924  -2.683
  203    HE1  TRP  28           1HE      TRP  28   9.954   3.487  -0.864
  204    HE3  TRP  28           3HE      TRP  28   4.629   3.288  -0.446
  205    HZ2  TRP  28           2HZ      TRP  28   8.964   5.083   1.241
  206    HZ3  TRP  28           3HZ      TRP  28   4.712   4.837   1.462
  207    HH2  TRP  28           HH       TRP  28   6.835   5.714   2.289
  208    H    VAL  29           H        VAL  29   3.922   1.642  -4.686
  209    HA   VAL  29           HA       VAL  29   3.652  -1.067  -5.296
  210    HB   VAL  29           HB       VAL  29   1.994   1.267  -6.269
  211   1HG1  VAL  29          1HG1      VAL  29   0.267  -0.775  -6.264
  212   2HG1  VAL  29          2HG1      VAL  29   1.742  -1.650  -6.677
  213   3HG1  VAL  29          3HG1      VAL  29   1.199  -0.309  -7.687
  214   1HG2  VAL  29          1HG2      VAL  29   0.579   0.884  -4.420
  215   2HG2  VAL  29          2HG2      VAL  29   2.220   0.870  -3.776
  216   3HG2  VAL  29          3HG2      VAL  29   1.363  -0.648  -4.038
  217    H    SER  30           H        SER  30   4.661   1.634  -7.264
  218    HA   SER  30           HA       SER  30   4.649  -0.013  -9.680
  219   1HB   SER  30          2HB       SER  30   3.751   2.130 -10.111
  220   2HB   SER  30          1HB       SER  30   5.019   2.938  -9.189
  221    HG   SER  30           HG       SER  30   5.268   3.050 -11.509
  222    H    GLU  31           H        GLU  31   6.823   1.436  -7.371
  223    HA   GLU  31           HA       GLU  31   9.214   1.414  -8.781
  224   1HB   GLU  31          2HB       GLU  31   8.644   2.211  -6.354
  225   2HB   GLU  31          1HB       GLU  31   9.143   0.588  -5.902
  226   1HG   GLU  31          2HG       GLU  31  10.946   2.243  -5.697
  227   2HG   GLU  31          1HG       GLU  31  11.330   0.945  -6.828
  228    H    GLY  32           H        GLY  32   7.418  -1.225  -7.372
  229   1HA   GLY  32          2HA       GLY  32   7.743  -3.421  -8.389
  230   2HA   GLY  32          1HA       GLY  32   9.466  -3.077  -8.421
  231    H    TYR  33           H        TYR  33   8.406  -1.886  -5.550
  232    HA   TYR  33           HA       TYR  33   9.712  -3.796  -3.988
  233   1HB   TYR  33          2HB       TYR  33   7.828  -1.549  -3.415
  234   2HB   TYR  33          1HB       TYR  33   8.200  -2.687  -2.124
  235    HD1  TYR  33           1HD      TYR  33  10.647  -3.033  -1.506
  236    HD2  TYR  33           2HD      TYR  33   9.311   0.187  -3.943
  237    HE1  TYR  33           1HE      TYR  33  12.729  -1.814  -1.028
  238    HE2  TYR  33           2HE      TYR  33  11.388   1.415  -3.472
  239    HH   TYR  33           HH       TYR  33  13.509   0.562  -1.009
  240    H    PHE  34           H        PHE  34   6.383  -3.564  -5.034
  241    HA   PHE  34           HA       PHE  34   5.727  -5.973  -3.480
  242   1HB   PHE  34          2HB       PHE  34   3.678  -4.300  -4.901
  243   2HB   PHE  34          1HB       PHE  34   3.476  -5.339  -3.496
  244    HD1  PHE  34           1HD      PHE  34   2.593  -2.411  -3.919
  245    HD2  PHE  34           2HD      PHE  34   5.968  -4.191  -2.037
  246    HE1  PHE  34           1HE      PHE  34   2.805  -0.450  -2.450
  247    HE2  PHE  34           2HE      PHE  34   6.186  -2.232  -0.565
  248    HZ   PHE  34           HZ       PHE  34   4.601  -0.358  -0.772
  249    HA   PRO  35           HA       PRO  35   6.266  -7.412  -7.880
  250   1HB   PRO  35          2HB       PRO  35   7.298  -9.839  -7.134
  251   2HB   PRO  35          1HB       PRO  35   8.279  -8.401  -7.439
  252   1HG   PRO  35          2HG       PRO  35   7.330  -9.532  -4.836
  253   2HG   PRO  35          1HG       PRO  35   8.916  -8.855  -5.253
  254   1HD   PRO  35          2HD       PRO  35   7.089  -7.443  -3.874
  255   2HD   PRO  35          1HD       PRO  35   8.179  -6.671  -5.045
  256    H    ASP  36           H        ASP  36   4.748  -8.684  -5.016
  257    HA   ASP  36           HA       ASP  36   3.021 -10.371  -6.693
  258   1HB   ASP  36          2HB       ASP  36   4.307 -11.658  -5.063
  259   2HB   ASP  36          1HB       ASP  36   3.700 -10.641  -3.761
  260    H    GLY  37           H        GLY  37   3.006  -7.411  -5.428
  261   1HA   GLY  37          2HA       GLY  37   1.250  -5.947  -5.105
  262   2HA   GLY  37          1HA       GLY  37   0.139  -7.291  -5.320
  263    H    VAL  38           H        VAL  38  -0.195  -5.281  -3.387
  264    HA   VAL  38           HA       VAL  38   0.058  -6.892  -0.946
  265    HB   VAL  38           HB       VAL  38   0.275  -4.666   0.294
  266   1HG1  VAL  38          1HG1      VAL  38   2.186  -5.867   0.499
  267   2HG1  VAL  38          2HG1      VAL  38   2.815  -4.573  -0.522
  268   3HG1  VAL  38          3HG1      VAL  38   2.348  -6.114  -1.240
  269   1HG2  VAL  38          1HG2      VAL  38  -0.253  -3.120  -1.446
  270   2HG2  VAL  38          2HG2      VAL  38   0.994  -3.789  -2.499
  271   3HG2  VAL  38          3HG2      VAL  38   1.451  -2.901  -1.046
  272    H    TYR  39           H        TYR  39  -1.484  -6.279   0.752
  273    HA   TYR  39           HA       TYR  39  -4.106  -5.936  -0.352
  274   1HB   TYR  39          2HB       TYR  39  -2.953  -6.928   2.080
  275   2HB   TYR  39          1HB       TYR  39  -4.188  -5.741   2.478
  276    HD1  TYR  39           1HD      TYR  39  -4.140  -8.083  -0.406
  277    HD2  TYR  39           2HD      TYR  39  -5.914  -7.083   3.329
  278    HE1  TYR  39           1HE      TYR  39  -5.879  -9.780  -0.783
  279    HE2  TYR  39           2HE      TYR  39  -7.657  -8.778   2.963
  280    HH   TYR  39           HH       TYR  39  -8.116 -10.319  -0.063
  281    H    CYS  40           H        CYS  40  -3.879  -3.819  -1.258
  282    HA   CYS  40           HA       CYS  40  -3.475  -1.592   0.550
  283   1HB   CYS  40          2HB       CYS  40  -3.675  -1.944  -2.391
  284   2HB   CYS  40          1HB       CYS  40  -4.101  -0.370  -1.730
  285    HG   CYS  40           HG       CYS  40  -1.725   0.130  -1.431
  286    H    ARG  41           H        ARG  41  -4.958   0.081   0.900
  287    HA   ARG  41           HA       ARG  41  -7.552   0.252  -0.079
  288   1HB   ARG  41          2HB       ARG  41  -8.939  -0.751   1.531
  289   2HB   ARG  41          1HB       ARG  41  -7.710  -1.960   1.198
  290   1HG   ARG  41          2HG       ARG  41  -6.553  -1.417   3.237
  291   2HG   ARG  41          1HG       ARG  41  -7.660  -0.080   3.549
  292   1HD   ARG  41          2HD       ARG  41  -8.540  -2.948   3.305
  293   2HD   ARG  41          1HD       ARG  41  -8.131  -2.183   4.839
  294    HE   ARG  41           HE       ARG  41 -10.544  -1.868   3.352
  295   1HH1  ARG  41          1HH1      ARG  41  -8.356  -0.231   5.521
  296   2HH1  ARG  41          2HH1      ARG  41  -9.568   0.841   6.136
  297   1HH2  ARG  41          1HH2      ARG  41 -12.143  -0.459   4.160
  298   2HH2  ARG  41          2HH2      ARG  41 -11.719   0.710   5.365
  299    H    LYS  42           H        LYS  42  -8.749   1.969   0.894
  300    HA   LYS  42           HA       LYS  42  -7.201   4.042   1.938
  301   1HB   LYS  42          2HB       LYS  42 -10.198   3.646   2.069
  302   2HB   LYS  42          1HB       LYS  42  -9.354   5.161   2.327
  303   1HG   LYS  42          2HG       LYS  42  -8.923   5.473   0.114
  304   2HG   LYS  42          1HG       LYS  42  -8.879   3.742  -0.229
  305   1HD   LYS  42          2HD       LYS  42 -11.297   3.617  -0.045
  306   2HD   LYS  42          1HD       LYS  42 -11.372   5.325   0.394
  307   1HE   LYS  42          2HE       LYS  42  -9.930   4.839  -2.093
  308   2HE   LYS  42          1HE       LYS  42 -11.606   4.293  -2.148
  309   1HZ   LYS  42          1HZ       LYS  42 -10.835   6.801  -2.636
  310   2HZ   LYS  42          2HZ       LYS  42 -11.195   6.916  -0.987
  311   3HZ   LYS  42          3HZ       LYS  42 -12.377   6.385  -2.073
  312    H    LEU  43           H        LEU  43  -6.741   4.706   3.953
  313    HA   LEU  43           HA       LEU  43  -6.735   2.939   6.089
  314   1HB   LEU  43          2HB       LEU  43  -6.764   5.912   6.492
  315   2HB   LEU  43          1HB       LEU  43  -5.896   4.691   7.405
  316    HG   LEU  43           HG       LEU  43  -5.253   5.624   4.606
  317   1HD1  LEU  43          1HD1      LEU  43  -3.191   6.430   5.642
  318   2HD1  LEU  43          2HD1      LEU  43  -3.803   5.943   7.221
  319   3HD1  LEU  43          3HD1      LEU  43  -4.620   7.214   6.311
  320   1HD2  LEU  43          1HD2      LEU  43  -3.417   4.115   4.614
  321   2HD2  LEU  43          2HD2      LEU  43  -4.856   3.181   5.016
  322   3HD2  LEU  43          3HD2      LEU  43  -3.727   3.648   6.285
  323    H    ASP  44           H        ASP  44  -9.068   5.467   5.279
  324    HA   ASP  44           HA       ASP  44 -10.732   4.583   7.536
  325   1HB   ASP  44          2HB       ASP  44 -10.003   7.062   7.209
  326   2HB   ASP  44          1HB       ASP  44 -11.249   7.088   5.967
  327    HA   PRO  45           HA       PRO  45 -12.514   3.985   8.231
  328   1HB   PRO  45          2HB       PRO  45 -13.876   1.666   8.356
  329   2HB   PRO  45          1HB       PRO  45 -14.682   3.210   8.051
  330   1HG   PRO  45          2HG       PRO  45 -13.881   1.076   6.111
  331   2HG   PRO  45          1HG       PRO  45 -15.385   2.012   6.187
  332   1HD   PRO  45          2HD       PRO  45 -13.341   2.586   4.472
  333   2HD   PRO  45          1HD       PRO  45 -14.468   3.807   5.094
  334    HA   PRO  46           HA       PRO  46  -9.091   1.222   8.711
  335   1HB   PRO  46          2HB       PRO  46  -9.291   0.590  11.331
  336   2HB   PRO  46          1HB       PRO  46  -8.801   2.197  10.779
  337   1HG   PRO  46          2HG       PRO  46 -11.480   1.255  11.730
  338   2HG   PRO  46          1HG       PRO  46 -10.621   2.759  12.113
  339   1HD   PRO  46          2HD       PRO  46 -12.615   2.621  10.270
  340   2HD   PRO  46          1HD       PRO  46 -11.270   3.775  10.154
  341    H    GLY  47           H        GLY  47  -9.182  -0.715   7.729
  342   1HA   GLY  47          2HA       GLY  47  -9.385  -3.030   7.681
  343   2HA   GLY  47          1HA       GLY  47 -10.323  -2.953   9.164
  344    H    GLY  48           H        GLY  48 -10.420  -3.027   5.710
  345   1HA   GLY  48          2HA       GLY  48 -13.267  -3.624   5.832
  346   2HA   GLY  48          1HA       GLY  48 -12.818  -2.217   4.883
  347    H    GLN  49           H        GLN  49 -13.692  -3.235   3.032
  348    HA   GLN  49           HA       GLN  49 -12.808  -5.746   2.079
  349   1HB   GLN  49          2HB       GLN  49 -14.206  -3.408   0.829
  350   2HB   GLN  49          1HB       GLN  49 -13.660  -4.750  -0.166
  351   1HG   GLN  49          2HG       GLN  49 -15.095  -5.698   2.145
  352   2HG   GLN  49          1HG       GLN  49 -16.060  -4.544   1.227
  353   1HE2  GLN  49          1HE2      GLN  49 -17.496  -5.900   0.311
  354   2HE2  GLN  49          2HE2      GLN  49 -17.078  -7.168  -0.787
  355    H    PHE  50           H        PHE  50 -10.503  -5.399   2.502
  356    HA   PHE  50           HA       PHE  50  -8.771  -3.636   1.388
  357   1HB   PHE  50          2HB       PHE  50  -8.600  -6.478   2.145
  358   2HB   PHE  50          1HB       PHE  50  -7.361  -5.942   1.016
  359    HD1  PHE  50           1HD      PHE  50  -8.347  -6.111   4.409
  360    HD2  PHE  50           2HD      PHE  50  -6.048  -3.818   1.659
  361    HE1  PHE  50           1HE      PHE  50  -7.074  -5.149   6.281
  362    HE2  PHE  50           2HE      PHE  50  -4.771  -2.852   3.528
  363    HZ   PHE  50           HZ       PHE  50  -5.283  -3.519   5.843
  364    H    TYR  51           H        TYR  51  -7.384  -3.696  -0.500
  365    HA   TYR  51           HA       TYR  51  -8.428  -5.155  -2.807
  366   1HB   TYR  51          2HB       TYR  51  -8.578  -2.236  -2.401
  367   2HB   TYR  51          1HB       TYR  51  -7.946  -2.737  -3.965
  368    HD1  TYR  51           1HD      TYR  51 -10.888  -2.387  -1.910
  369    HD2  TYR  51           2HD      TYR  51  -9.352  -4.218  -5.430
  370    HE1  TYR  51           1HE      TYR  51 -13.183  -2.765  -2.708
  371    HE2  TYR  51           2HE      TYR  51 -11.642  -4.600  -6.238
  372    HH   TYR  51           HH       TYR  51 -14.109  -4.810  -4.744
  373    H    ASN  52           H        ASN  52  -6.826  -5.993  -3.976
  374    HA   ASN  52           HA       ASN  52  -4.146  -5.799  -3.271
  375   1HB   ASN  52          2HB       ASN  52  -5.391  -7.530  -4.770
  376   2HB   ASN  52          1HB       ASN  52  -4.959  -6.445  -6.088
  377   1HD2  ASN  52          1HD2      ASN  52  -3.226  -7.091  -7.116
  378   2HD2  ASN  52          2HD2      ASN  52  -1.841  -7.848  -6.416
  379    H    SER  53           H        SER  53  -2.559  -4.398  -3.702
  380    HA   SER  53           HA       SER  53  -3.009  -1.867  -4.735
  381   1HB   SER  53          2HB       SER  53  -0.712  -1.485  -4.497
  382   2HB   SER  53          1HB       SER  53  -1.013  -2.786  -3.346
  383    HG   SER  53           HG       SER  53  -0.376  -4.225  -5.127
  384    H    LYS  54           H        LYS  54  -2.230  -4.827  -6.383
  385    HA   LYS  54           HA       LYS  54  -1.516  -3.541  -8.862
  386   1HB   LYS  54          2HB       LYS  54  -0.929  -5.962  -7.832
  387   2HB   LYS  54          1HB       LYS  54  -2.291  -6.399  -8.855
  388   1HG   LYS  54          2HG       LYS  54  -1.019  -6.339 -10.664
  389   2HG   LYS  54          1HG       LYS  54  -0.508  -4.689 -10.304
  390   1HD   LYS  54          2HD       LYS  54   1.514  -5.764 -10.241
  391   2HD   LYS  54          1HD       LYS  54   1.033  -5.905  -8.548
  392   1HE   LYS  54          2HE       LYS  54   0.069  -8.147  -9.097
  393   2HE   LYS  54          1HE       LYS  54   0.782  -7.997 -10.702
  394   1HZ   LYS  54          1HZ       LYS  54   2.491  -9.045  -9.716
  395   2HZ   LYS  54          2HZ       LYS  54   2.054  -8.558  -8.156
  396   3HZ   LYS  54          3HZ       LYS  54   2.897  -7.496  -9.167
  397    H    ARG  55           H        ARG  55  -4.405  -3.915  -7.321
  398    HA   ARG  55           HA       ARG  55  -5.877  -4.072  -9.865
  399   1HB   ARG  55          2HB       ARG  55  -6.139  -5.724  -7.634
  400   2HB   ARG  55          1HB       ARG  55  -7.505  -4.623  -7.526
  401   1HG   ARG  55          2HG       ARG  55  -8.516  -6.093  -8.870
  402   2HG   ARG  55          1HG       ARG  55  -7.589  -5.309 -10.151
  403   1HD   ARG  55          2HD       ARG  55  -6.198  -7.070 -10.404
  404   2HD   ARG  55          1HD       ARG  55  -6.187  -7.442  -8.681
  405    HE   ARG  55           HE       ARG  55  -8.679  -8.048  -9.976
  406   1HH1  ARG  55          1HH1      ARG  55  -5.489  -9.239  -9.212
  407   2HH1  ARG  55          2HH1      ARG  55  -5.946 -10.905  -9.332
  408   1HH2  ARG  55          1HH2      ARG  55  -9.282 -10.239 -10.134
  409   2HH2  ARG  55          2HH2      ARG  55  -8.099 -11.473  -9.855
  410    H    ILE  56           H        ILE  56  -4.838  -1.894  -7.725
  411    HA   ILE  56           HA       ILE  56  -7.337  -0.347  -7.691
  412    HB   ILE  56           HB       ILE  56  -4.832   0.011  -6.046
  413   1HG1  ILE  56          2HG1      ILE  56  -7.594  -1.008  -5.358
  414   2HG1  ILE  56          1HG1      ILE  56  -6.094  -1.930  -5.340
  415   1HG2  ILE  56          1HG2      ILE  56  -7.430   1.542  -6.024
  416   2HG2  ILE  56          2HG2      ILE  56  -5.839   2.162  -6.465
  417   3HG2  ILE  56          3HG2      ILE  56  -6.169   1.686  -4.799
  418   1HD1  ILE  56          1HD1      ILE  56  -7.261  -0.237  -3.307
  419   2HD1  ILE  56          2HD1      ILE  56  -5.581   0.181  -3.644
  420   3HD1  ILE  56          3HD1      ILE  56  -6.003  -1.466  -3.175
  421    H    ASP  57           H        ASP  57  -7.284   1.882  -8.272
  422    HA   ASP  57           HA       ASP  57  -5.180   2.491 -10.231
  423   1HB   ASP  57          2HB       ASP  57  -7.625   2.412 -10.944
  424   2HB   ASP  57          1HB       ASP  57  -7.852   3.875  -9.990
  425    H    PHE  58           H        PHE  58  -3.609   3.675  -9.350
  426    HA   PHE  58           HA       PHE  58  -4.213   5.628  -7.279
  427   1HB   PHE  58          2HB       PHE  58  -1.590   4.725  -8.484
  428   2HB   PHE  58          1HB       PHE  58  -1.733   5.907  -7.188
  429    HD1  PHE  58           1HD      PHE  58  -2.623   2.399  -8.048
  430    HD2  PHE  58           2HD      PHE  58  -1.709   5.208  -4.986
  431    HE1  PHE  58           1HE      PHE  58  -2.588   0.578  -6.394
  432    HE2  PHE  58           2HE      PHE  58  -1.671   3.393  -3.326
  433    HZ   PHE  58           HZ       PHE  58  -2.108   1.073  -4.029
  434    H    ASP  59           H        ASP  59  -5.465   6.483  -9.443
  435    HA   ASP  59           HA       ASP  59  -3.935   8.845 -10.205
  436   1HB   ASP  59          2HB       ASP  59  -5.057   6.834 -12.139
  437   2HB   ASP  59          1HB       ASP  59  -4.830   8.518 -12.604
  438    H    LEU  60           H        LEU  60  -7.018   7.143 -10.159
  439    HA   LEU  60           HA       LEU  60  -8.462   9.628 -10.561
  440   1HB   LEU  60          2HB       LEU  60  -9.928   7.117 -10.009
  441   2HB   LEU  60          1HB       LEU  60 -10.280   8.390 -11.161
  442    HG   LEU  60           HG       LEU  60  -8.202   6.225 -11.492
  443   1HD1  LEU  60          1HD1      LEU  60 -10.976   6.621 -12.522
  444   2HD1  LEU  60          2HD1      LEU  60 -10.207   5.163 -11.897
  445   3HD1  LEU  60          3HD1      LEU  60  -9.786   5.762 -13.502
  446   1HD2  LEU  60          1HD2      LEU  60  -8.980   7.901 -13.778
  447   2HD2  LEU  60          2HD2      LEU  60  -7.401   7.266 -13.317
  448   3HD2  LEU  60          3HD2      LEU  60  -8.030   8.715 -12.533
  449    H    TYR  61           H        TYR  61  -6.924   9.096  -8.115
  450    HA   TYR  61           HA       TYR  61  -9.125   9.389  -6.185
  451   1HB   TYR  61          2HB       TYR  61  -6.530   7.887  -5.810
  452   2HB   TYR  61          1HB       TYR  61  -7.614   8.307  -4.489
  453    HD1  TYR  61           1HD      TYR  61  -6.629   5.579  -6.039
  454    HD2  TYR  61           2HD      TYR  61 -10.252   7.768  -5.604
  455    HE1  TYR  61           1HE      TYR  61  -7.914   3.521  -6.447
  456    HE2  TYR  61           2HE      TYR  61 -11.546   5.717  -6.008
  457    HH   TYR  61           HH       TYR  61 -11.150   3.493  -7.198
  458    H    THR  62           H        THR  62  -5.770  10.159  -6.989
  459    HA   THR  62           HA       THR  62  -5.221  11.928  -4.906
  460    HB   THR  62           HB       THR  62  -3.683  13.007  -6.739
  461    HG1  THR  62           1HG      THR  62  -4.752  12.090  -8.516
  462   1HG2  THR  62          1HG2      THR  62  -2.008  11.473  -6.326
  463   2HG2  THR  62          2HG2      THR  62  -3.129  10.113  -6.256
  464   3HG2  THR  62          3HG2      THR  62  -3.071  11.279  -4.933
  465   1H    SER  63          1HT       SER  63  18.614  12.528  -3.813
  466   2H    SER  63          2HT       SER  63  18.881  12.584  -2.118
  467   3H    SER  63          3HT       SER  63  17.468  13.289  -2.792
  468    HA   SER  63           HA       SER  63  18.115  10.433  -3.006
  469   1HB   SER  63          2HB       SER  63  16.102  10.585  -1.178
  470   2HB   SER  63          1HB       SER  63  17.808  10.448  -0.752
  471    HG   SER  63           HG       SER  63  16.175  12.750  -0.805
  472    H    HIS  64           H        HIS  64  16.662   9.336  -4.198
  473    HA   HIS  64           HA       HIS  64  14.622  10.853  -5.588
  474   1HB   HIS  64          2HB       HIS  64  15.424   7.947  -5.853
  475   2HB   HIS  64          1HB       HIS  64  14.328   8.809  -6.927
  476    HD1  HIS  64           1HD      HIS  64  15.698  11.228  -7.779
  477    HD2  HIS  64           2HD      HIS  64  17.821   7.729  -7.057
  478    HE1  HIS  64           1HE      HIS  64  17.852  11.473  -9.053
  479    HE2  HIS  64           2HE      HIS  64  19.159   9.384  -8.526
  480    H    ARG  65           H        ARG  65  14.643   7.749  -3.823
  481    HA   ARG  65           HA       ARG  65  12.205   8.446  -2.454
  482   1HB   ARG  65          2HB       ARG  65  11.091   7.693  -4.366
  483   2HB   ARG  65          1HB       ARG  65  12.256   6.413  -4.659
  484   1HG   ARG  65          2HG       ARG  65  10.904   6.052  -2.128
  485   2HG   ARG  65          1HG       ARG  65   9.765   6.169  -3.469
  486   1HD   ARG  65          2HD       ARG  65  10.543   3.849  -2.948
  487   2HD   ARG  65          1HD       ARG  65  10.805   4.359  -4.612
  488    HE   ARG  65           HE       ARG  65  12.860   3.994  -2.556
  489   1HH1  ARG  65          1HH1      ARG  65  12.037   4.717  -5.879
  490   2HH1  ARG  65          2HH1      ARG  65  13.649   4.475  -6.455
  491   1HH2  ARG  65          1HH2      ARG  65  14.975   3.679  -3.325
  492   2HH2  ARG  65          2HH2      ARG  65  15.315   3.887  -5.009
  493    HA   PRO  66           HA       PRO  66  14.248   5.720   0.399
  494   1HB   PRO  66          2HB       PRO  66  12.491   5.850   2.415
  495   2HB   PRO  66          1HB       PRO  66  13.490   7.237   1.965
  496   1HG   PRO  66          2HG       PRO  66  10.619   6.687   1.354
  497   2HG   PRO  66          1HG       PRO  66  11.401   8.218   1.781
  498   1HD   PRO  66          2HD       PRO  66  10.750   7.434  -0.795
  499   2HD   PRO  66          1HD       PRO  66  11.970   8.654  -0.385
  500    HA   PRO  67           HA       PRO  67  12.201   1.794   0.257
  501   1HB   PRO  67          2HB       PRO  67  13.178   0.534   2.397
  502   2HB   PRO  67          1HB       PRO  67  14.239   1.068   1.089
  503   1HG   PRO  67          2HG       PRO  67  13.801   2.263   3.781
  504   2HG   PRO  67          1HG       PRO  67  15.286   2.172   2.820
  505   1HD   PRO  67          2HD       PRO  67  13.571   4.387   3.028
  506   2HD   PRO  67          1HD       PRO  67  14.854   4.168   1.826
  507    HA   PRO  68           HA       PRO  68   8.499   1.980   2.741
  508   1HB   PRO  68          2HB       PRO  68   7.357  -0.333   1.971
  509   2HB   PRO  68          1HB       PRO  68   7.466   1.061   0.890
  510   1HG   PRO  68          2HG       PRO  68   9.190  -1.384   1.008
  511   2HG   PRO  68          1HG       PRO  68   8.526  -0.551  -0.411
  512   1HD   PRO  68          2HD       PRO  68  11.091  -0.220   0.454
  513   2HD   PRO  68          1HD       PRO  68  10.183   1.040  -0.406
  514    HA   PRO  69           HA       PRO  69   9.256  -0.346   6.419
  515   1HB   PRO  69          2HB       PRO  69   6.709  -0.798   7.307
  516   2HB   PRO  69          1HB       PRO  69   7.546   0.749   7.469
  517   1HG   PRO  69          2HG       PRO  69   5.517  -0.105   5.450
  518   2HG   PRO  69          1HG       PRO  69   5.691   1.448   6.281
  519   1HD   PRO  69          2HD       PRO  69   6.509   1.059   3.730
  520   2HD   PRO  69          1HD       PRO  69   7.331   2.181   4.833
  521    H    GLY  70           H        GLY  70   8.419  -2.391   7.606
  522   1HA   GLY  70          2HA       GLY  70   7.892  -4.638   7.590
  523   2HA   GLY  70          1HA       GLY  70   7.246  -4.438   5.970
  524    H    HIS  71           H        HIS  71   8.881  -4.207   4.213
  525    HA   HIS  71           HA       HIS  71  10.454  -5.308   2.982
  526   1HB   HIS  71          2HB       HIS  71  12.680  -4.741   3.566
  527   2HB   HIS  71          1HB       HIS  71  11.676  -3.446   4.185
  528    HD1  HIS  71           1HD      HIS  71  13.258  -2.719   5.938
  529    HD2  HIS  71           2HD      HIS  71  12.324  -6.736   6.288
  530    HE1  HIS  71           1HE      HIS  71  14.194  -3.428   8.163
  531    HE2  HIS  71           2HE      HIS  71  13.691  -5.891   8.309
  532    H    ARG  72           H        ARG  72  12.699  -6.763   3.588
  533    HA   ARG  72           HA       ARG  72  12.513  -8.733   5.507
  534   1HB   ARG  72          2HB       ARG  72  11.697 -10.662   4.065
  535   2HB   ARG  72          1HB       ARG  72  10.467  -9.542   4.635
  536   1HG   ARG  72          2HG       ARG  72  11.553  -8.765   2.059
  537   2HG   ARG  72          1HG       ARG  72  10.846 -10.382   2.037
  538   1HD   ARG  72          2HD       ARG  72   8.937  -9.092   3.398
  539   2HD   ARG  72          1HD       ARG  72   9.564  -7.745   2.449
  540    HE   ARG  72           HE       ARG  72   8.539  -8.638   0.622
  541   1HH1  ARG  72          1HH1      ARG  72   8.969 -11.176   2.979
  542   2HH1  ARG  72          2HH1      ARG  72   8.100 -12.354   2.053
  543   1HH2  ARG  72          1HH2      ARG  72   7.396 -10.186  -0.596
  544   2HH2  ARG  72          2HH2      ARG  72   7.208 -11.792   0.023
  545    H    VAL  73           H        VAL  73  14.363  -9.879   5.521
  546    HA   VAL  73           HA       VAL  73  15.812 -10.424   3.077
  547    HB   VAL  73           HB       VAL  73  17.931  -9.390   4.029
  548   1HG1  VAL  73          1HG1      VAL  73  16.212  -8.463   2.228
  549   2HG1  VAL  73          2HG1      VAL  73  17.627  -7.541   2.736
  550   3HG1  VAL  73          3HG1      VAL  73  16.045  -7.181   3.426
  551   1HG2  VAL  73          1HG2      VAL  73  17.402  -8.920   6.260
  552   2HG2  VAL  73          2HG2      VAL  73  15.876  -8.149   5.832
  553   3HG2  VAL  73          3HG2      VAL  73  17.403  -7.341   5.476
  Start of MODEL   15
    1   1H    ASP   1          1HT       ASP   1  -3.115  14.989   0.353
    2   2H    ASP   1          2HT       ASP   1  -2.934  13.668   1.434
    3   3H    ASP   1          3HT       ASP   1  -4.427  14.511   1.347
    4    HA   ASP   1           HA       ASP   1  -4.830  13.744  -0.813
    5   1HB   ASP   1          2HB       ASP   1  -2.234  13.807  -1.228
    6   2HB   ASP   1          1HB       ASP   1  -2.315  12.114  -0.748
    7    H    VAL   2           H        VAL   2  -5.528  11.528  -1.359
    8    HA   VAL   2           HA       VAL   2  -6.507  10.178   0.920
    9    HB   VAL   2           HB       VAL   2  -6.384   9.130  -1.911
   10   1HG1  VAL   2          1HG1      VAL   2  -7.167   7.287  -0.902
   11   2HG1  VAL   2          2HG1      VAL   2  -8.681   8.183  -0.786
   12   3HG1  VAL   2          3HG1      VAL   2  -7.569   8.151   0.582
   13   1HG2  VAL   2          1HG2      VAL   2  -8.822  10.406  -0.784
   14   2HG2  VAL   2          2HG2      VAL   2  -8.270  10.303  -2.455
   15   3HG2  VAL   2          3HG2      VAL   2  -7.517  11.449  -1.346
   16    H    MET   3           H        MET   3  -5.220   9.085   2.265
   17    HA   MET   3           HA       MET   3  -2.789   7.833   1.422
   18   1HB   MET   3          2HB       MET   3  -4.291   7.649   4.039
   19   2HB   MET   3          1HB       MET   3  -2.665   7.037   3.762
   20   1HG   MET   3          2HG       MET   3  -1.795   9.214   3.476
   21   2HG   MET   3          1HG       MET   3  -3.407   9.920   3.381
   22   1HE   MET   3          1HE       MET   3  -0.690  10.298   4.897
   23   2HE   MET   3          2HE       MET   3  -0.719  10.042   6.642
   24   3HE   MET   3          3HE       MET   3  -1.537  11.440   5.942
   25    H    TRP   4           H        TRP   4  -2.321   5.505   1.896
   26    HA   TRP   4           HA       TRP   4  -4.653   3.754   1.701
   27   1HB   TRP   4          2HB       TRP   4  -2.450   3.840  -0.361
   28   2HB   TRP   4          1HB       TRP   4  -3.603   2.518  -0.210
   29    HD1  TRP   4           HD       TRP   4  -3.580   6.315  -0.955
   30    HE1  TRP   4           1HE      TRP   4  -5.591   6.840  -2.475
   31    HE3  TRP   4           3HE      TRP   4  -5.750   1.687  -1.058
   32    HZ2  TRP   4           2HZ      TRP   4  -7.802   5.472  -3.573
   33    HZ3  TRP   4           3HZ      TRP   4  -7.810   1.380  -2.367
   34    HH2  TRP   4           HH       TRP   4  -8.814   3.234  -3.597
   35    H    GLU   5           H        GLU   5  -4.399   2.281   3.223
   36    HA   GLU   5           HA       GLU   5  -1.826   1.640   4.325
   37   1HB   GLU   5          2HB       GLU   5  -3.173  -0.049   5.660
   38   2HB   GLU   5          1HB       GLU   5  -3.620   1.638   5.872
   39   1HG   GLU   5          2HG       GLU   5  -5.574   1.394   4.598
   40   2HG   GLU   5          1HG       GLU   5  -5.044  -0.151   3.933
   41    H    TYR   6           H        TYR   6  -0.720  -0.344   4.186
   42    HA   TYR   6           HA       TYR   6  -1.729  -2.258   2.205
   43   1HB   TYR   6          2HB       TYR   6   0.188  -2.267   0.923
   44   2HB   TYR   6          1HB       TYR   6   0.092  -0.569   1.362
   45    HD1  TYR   6           1HD      TYR   6   1.835   0.467   2.591
   46    HD2  TYR   6           2HD      TYR   6   1.777  -3.766   2.170
   47    HE1  TYR   6           1HE      TYR   6   4.111   0.348   3.516
   48    HE2  TYR   6           2HE      TYR   6   4.050  -3.896   3.095
   49    HH   TYR   6           HH       TYR   6   6.125  -1.924   3.162
   50    H    LYS   7           H        LYS   7  -1.470  -4.349   2.714
   51    HA   LYS   7           HA       LYS   7   0.270  -5.016   4.988
   52   1HB   LYS   7          2HB       LYS   7  -2.043  -5.020   5.768
   53   2HB   LYS   7          1HB       LYS   7  -2.508  -6.088   4.451
   54   1HG   LYS   7          2HG       LYS   7  -0.894  -7.772   5.406
   55   2HG   LYS   7          1HG       LYS   7  -0.772  -6.721   6.818
   56   1HD   LYS   7          2HD       LYS   7  -3.364  -7.840   5.756
   57   2HD   LYS   7          1HD       LYS   7  -2.426  -8.575   7.058
   58   1HE   LYS   7          2HE       LYS   7  -3.188  -5.699   7.256
   59   2HE   LYS   7          1HE       LYS   7  -4.404  -6.931   7.584
   60   1HZ   LYS   7          1HZ       LYS   7  -3.322  -6.306   9.616
   61   2HZ   LYS   7          2HZ       LYS   7  -1.794  -6.619   8.963
   62   3HZ   LYS   7          3HZ       LYS   7  -2.874  -7.891   9.233
   63    H    TRP   8           H        TRP   8   1.687  -6.592   4.563
   64    HA   TRP   8           HA       TRP   8   2.006  -7.714   2.036
   65   1HB   TRP   8          2HB       TRP   8   3.019  -8.655   4.724
   66   2HB   TRP   8          1HB       TRP   8   3.547  -9.335   3.189
   67    HD1  TRP   8           HD       TRP   8   4.516  -6.801   5.630
   68    HE1  TRP   8           1HE      TRP   8   6.226  -5.155   4.636
   69    HE3  TRP   8           3HE      TRP   8   3.993  -7.971   0.678
   70    HZ2  TRP   8           2HZ      TRP   8   7.223  -4.446   2.095
   71    HZ3  TRP   8           3HZ      TRP   8   5.364  -6.762  -0.968
   72    HH2  TRP   8           HH       TRP   8   6.945  -5.035  -0.273
   73    H    GLU   9           H        GLU   9   0.645  -9.177   4.973
   74    HA   GLU   9           HA       GLU   9  -0.407 -11.374   3.333
   75   1HB   GLU   9          2HB       GLU   9   0.871 -11.361   5.817
   76   2HB   GLU   9          1HB       GLU   9  -0.819 -11.665   6.192
   77   1HG   GLU   9          2HG       GLU   9  -0.541 -13.783   5.640
   78   2HG   GLU   9          1HG       GLU   9  -0.172 -13.293   3.987
   79    H    ASN  10           H        ASN  10  -2.497 -12.241   4.826
   80    HA   ASN  10           HA       ASN  10  -4.321  -9.947   5.037
   81   1HB   ASN  10          2HB       ASN  10  -6.087 -11.305   3.926
   82   2HB   ASN  10          1HB       ASN  10  -4.736 -10.929   2.861
   83   1HD2  ASN  10          1HD2      ASN  10  -3.056 -12.614   2.674
   84   2HD2  ASN  10          2HD2      ASN  10  -3.563 -14.267   2.682
   85    H    THR  11           H        THR  11  -3.015 -11.271   7.146
   86    HA   THR  11           HA       THR  11  -5.181 -12.827   8.382
   87    HB   THR  11           HB       THR  11  -3.633 -14.044   9.566
   88    HG1  THR  11           1HG      THR  11  -1.944 -13.191  10.495
   89   1HG2  THR  11          1HG2      THR  11  -3.084 -13.915   6.946
   90   2HG2  THR  11          2HG2      THR  11  -2.228 -14.957   8.084
   91   3HG2  THR  11          3HG2      THR  11  -1.536 -13.402   7.619
   92    H    GLY  12           H        GLY  12  -4.894 -12.625  10.948
   93   1HA   GLY  12          2HA       GLY  12  -5.398  -9.813  11.506
   94   2HA   GLY  12          1HA       GLY  12  -5.694 -11.163  12.593
   95    H    ASP  13           H        ASP  13  -2.648 -11.494  11.290
   96    HA   ASP  13           HA       ASP  13  -1.421 -10.168  13.614
   97   1HB   ASP  13          2HB       ASP  13  -0.567 -12.688  12.175
   98   2HB   ASP  13          1HB       ASP  13   0.365 -11.902  13.446
   99    H    ALA  14           H        ALA  14  -1.240 -10.767  10.165
  100    HA   ALA  14           HA       ALA  14   1.239  -9.920   9.443
  101   1HB   ALA  14          1HB       ALA  14  -0.477  -8.616   7.640
  102   2HB   ALA  14          2HB       ALA  14  -1.329 -10.064   8.179
  103   3HB   ALA  14          3HB       ALA  14   0.277 -10.200   7.462
  104    H    GLU  15           H        GLU  15   2.188  -7.912   8.846
  105    HA   GLU  15           HA       GLU  15   1.938  -5.861  10.703
  106   1HB   GLU  15          2HB       GLU  15   2.974  -5.530   7.886
  107   2HB   GLU  15          1HB       GLU  15   3.408  -4.579   9.300
  108   1HG   GLU  15          2HG       GLU  15   4.114  -7.442   8.728
  109   2HG   GLU  15          1HG       GLU  15   5.202  -6.061   8.838
  110    H    LEU  16           H        LEU  16   1.705  -3.463   9.656
  111    HA   LEU  16           HA       LEU  16  -0.574  -3.213   7.922
  112   1HB   LEU  16          2HB       LEU  16  -1.333  -3.706  10.400
  113   2HB   LEU  16          1HB       LEU  16  -0.992  -2.000  10.611
  114    HG   LEU  16           HG       LEU  16  -3.324  -2.221  10.154
  115   1HD1  LEU  16          1HD1      LEU  16  -1.903  -0.441   8.943
  116   2HD1  LEU  16          2HD1      LEU  16  -3.562  -0.711   8.408
  117   3HD1  LEU  16          3HD1      LEU  16  -2.218  -1.399   7.497
  118   1HD2  LEU  16          1HD2      LEU  16  -3.012  -3.392   7.470
  119   2HD2  LEU  16          2HD2      LEU  16  -4.262  -3.651   8.687
  120   3HD2  LEU  16          3HD2      LEU  16  -2.713  -4.484   8.823
  121    H    TYR  17           H        TYR  17   1.017  -2.021   6.771
  122    HA   TYR  17           HA       TYR  17   1.548   0.653   7.893
  123   1HB   TYR  17          2HB       TYR  17   3.082  -0.655   5.644
  124   2HB   TYR  17          1HB       TYR  17   3.523   0.786   6.551
  125    HD1  TYR  17           1HD      TYR  17   4.184  -2.605   6.157
  126    HD2  TYR  17           2HD      TYR  17   3.732   0.345   9.188
  127    HE1  TYR  17           1HE      TYR  17   5.513  -3.990   7.693
  128    HE2  TYR  17           2HE      TYR  17   5.058  -1.031  10.733
  129    HH   TYR  17           HH       TYR  17   7.024  -3.378   9.882
  130    H    GLY  18           H        GLY  18   2.247   1.935   5.517
  131   1HA   GLY  18          2HA       GLY  18   1.380   2.358   3.327
  132   2HA   GLY  18          1HA       GLY  18  -0.114   1.610   3.827
  133    HA   PRO  19           HA       PRO  19  -1.568   5.392   6.098
  134   1HB   PRO  19          2HB       PRO  19   1.046   6.214   7.307
  135   2HB   PRO  19          1HB       PRO  19  -0.585   6.335   7.977
  136   1HG   PRO  19          2HG       PRO  19   1.074   4.392   8.747
  137   2HG   PRO  19          1HG       PRO  19  -0.663   4.096   8.548
  138   1HD   PRO  19          2HD       PRO  19   1.606   3.216   6.864
  139   2HD   PRO  19          1HD       PRO  19   0.005   2.484   7.081
  140    H    PHE  20           H        PHE  20   1.590   5.458   4.624
  141    HA   PHE  20           HA       PHE  20   1.995   8.064   3.935
  142   1HB   PHE  20          2HB       PHE  20   2.404   6.060   1.767
  143   2HB   PHE  20          1HB       PHE  20   3.486   7.318   2.351
  144    HD1  PHE  20           1HD      PHE  20   4.835   6.946   4.377
  145    HD2  PHE  20           2HD      PHE  20   2.427   3.871   2.691
  146    HE1  PHE  20           1HE      PHE  20   6.065   5.266   5.691
  147    HE2  PHE  20           2HE      PHE  20   3.651   2.186   4.003
  148    HZ   PHE  20           HZ       PHE  20   5.471   2.890   5.504
  149    H    THR  21           H        THR  21   1.642   9.209   1.884
  150    HA   THR  21           HA       THR  21  -1.131   9.252   1.205
  151    HB   THR  21           HB       THR  21  -0.605  11.142  -0.158
  152    HG1  THR  21           1HG      THR  21   1.198  11.269  -1.197
  153   1HG2  THR  21          1HG2      THR  21   1.361  11.235   2.114
  154   2HG2  THR  21          2HG2      THR  21  -0.371  11.519   2.280
  155   3HG2  THR  21          3HG2      THR  21   0.608  12.600   1.289
  156    H    SER  22           H        SER  22  -2.068   8.923  -0.873
  157    HA   SER  22           HA       SER  22  -1.480   6.567  -2.148
  158   1HB   SER  22          2HB       SER  22  -3.583   7.602  -2.597
  159   2HB   SER  22          1HB       SER  22  -2.810   9.061  -3.215
  160    HG   SER  22           HG       SER  22  -2.415   8.088  -5.077
  161    H    ALA  23           H        ALA  23  -0.036   9.689  -2.585
  162    HA   ALA  23           HA       ALA  23   1.243   9.295  -5.057
  163   1HB   ALA  23          1HB       ALA  23   2.331  11.280  -4.624
  164   2HB   ALA  23          2HB       ALA  23   2.483  10.944  -2.900
  165   3HB   ALA  23          3HB       ALA  23   0.925  11.426  -3.570
  166    H    GLN  24           H        GLN  24   2.450   8.915  -1.727
  167    HA   GLN  24           HA       GLN  24   4.970   7.883  -2.490
  168   1HB   GLN  24          2HB       GLN  24   4.182   8.895  -0.220
  169   2HB   GLN  24          1HB       GLN  24   3.689   7.248   0.145
  170   1HG   GLN  24          2HG       GLN  24   5.914   7.797   1.024
  171   2HG   GLN  24          1HG       GLN  24   5.944   6.459  -0.122
  172   1HE2  GLN  24          1HE2      GLN  24   7.931   6.600  -0.951
  173   2HE2  GLN  24          2HE2      GLN  24   8.577   7.988  -1.752
  174    H    MET  25           H        MET  25   1.885   6.425  -1.766
  175    HA   MET  25           HA       MET  25   2.815   3.733  -1.684
  176   1HB   MET  25          2HB       MET  25   0.114   5.021  -1.945
  177   2HB   MET  25          1HB       MET  25   0.293   3.286  -2.171
  178   1HG   MET  25          2HG       MET  25   1.037   4.839   0.296
  179   2HG   MET  25          1HG       MET  25  -0.383   3.815   0.097
  180   1HE   MET  25          1HE       MET  25   1.489   0.326  -0.529
  181   2HE   MET  25          2HE       MET  25   1.227   1.549  -1.773
  182   3HE   MET  25          3HE       MET  25  -0.063   1.155  -0.637
  183    H    GLN  26           H        GLN  26   1.252   5.725  -4.168
  184    HA   GLN  26           HA       GLN  26   1.044   3.835  -6.189
  185   1HB   GLN  26          2HB       GLN  26  -0.012   5.975  -6.433
  186   2HB   GLN  26          1HB       GLN  26   1.529   6.816  -6.317
  187   1HG   GLN  26          2HG       GLN  26   0.870   6.856  -8.587
  188   2HG   GLN  26          1HG       GLN  26   2.199   5.708  -8.452
  189   1HE2  GLN  26          1HE2      GLN  26   1.475   3.398  -8.094
  190   2HE2  GLN  26          2HE2      GLN  26   0.135   2.855  -9.040
  191    H    THR  27           H        THR  27   3.800   5.782  -5.182
  192    HA   THR  27           HA       THR  27   5.501   5.174  -7.344
  193    HB   THR  27           HB       THR  27   6.197   5.862  -4.482
  194    HG1  THR  27           1HG      THR  27   6.218   7.938  -5.169
  195   1HG2  THR  27          1HG2      THR  27   8.171   6.894  -6.082
  196   2HG2  THR  27          2HG2      THR  27   7.891   5.294  -6.769
  197   3HG2  THR  27          3HG2      THR  27   8.302   5.461  -5.062
  198    H    TRP  28           H        TRP  28   5.592   3.864  -4.024
  199    HA   TRP  28           HA       TRP  28   7.390   1.819  -4.444
  200   1HB   TRP  28          2HB       TRP  28   5.089   2.144  -2.542
  201   2HB   TRP  28          1HB       TRP  28   6.046   0.670  -2.544
  202    HD1  TRP  28           HD       TRP  28   8.936   1.873  -2.887
  203    HE1  TRP  28           1HE      TRP  28  10.001   3.246  -0.987
  204    HE3  TRP  28           3HE      TRP  28   4.690   3.224  -0.379
  205    HZ2  TRP  28           2HZ      TRP  28   9.156   4.707   1.273
  206    HZ3  TRP  28           3HZ      TRP  28   4.907   4.614   1.641
  207    HH2  TRP  28           HH       TRP  28   7.094   5.336   2.450
  208    H    VAL  29           H        VAL  29   3.893   1.820  -4.942
  209    HA   VAL  29           HA       VAL  29   3.718  -0.931  -5.659
  210    HB   VAL  29           HB       VAL  29   1.826   1.362  -6.215
  211   1HG1  VAL  29          1HG1      VAL  29   1.077  -0.151  -7.753
  212   2HG1  VAL  29          2HG1      VAL  29   0.209  -0.722  -6.328
  213   3HG1  VAL  29          3HG1      VAL  29   1.683  -1.540  -6.849
  214   1HG2  VAL  29          1HG2      VAL  29   0.554   0.515  -4.337
  215   2HG2  VAL  29          2HG2      VAL  29   2.205   0.871  -3.831
  216   3HG2  VAL  29          3HG2      VAL  29   1.711  -0.798  -4.112
  217    H    SER  30           H        SER  30   4.350   2.032  -7.402
  218    HA   SER  30           HA       SER  30   4.437   0.512  -9.923
  219   1HB   SER  30          2HB       SER  30   2.971   2.714  -9.498
  220   2HB   SER  30          1HB       SER  30   4.485   3.485  -9.969
  221    HG   SER  30           HG       SER  30   3.613   3.142 -11.886
  222    H    GLU  31           H        GLU  31   6.552   0.795  -7.791
  223    HA   GLU  31           HA       GLU  31   8.642   2.041  -9.442
  224   1HB   GLU  31          2HB       GLU  31   8.424   3.125  -7.279
  225   2HB   GLU  31          1HB       GLU  31   8.567   1.577  -6.457
  226   1HG   GLU  31          2HG       GLU  31  10.632   2.881  -6.353
  227   2HG   GLU  31          1HG       GLU  31  10.853   1.351  -7.202
  228    H    GLY  32           H        GLY  32   7.703  -0.817  -7.644
  229   1HA   GLY  32          2HA       GLY  32   8.812  -2.751  -9.114
  230   2HA   GLY  32          1HA       GLY  32  10.212  -2.166  -8.227
  231    H    TYR  33           H        TYR  33   8.480  -1.529  -5.875
  232    HA   TYR  33           HA       TYR  33   8.848  -3.942  -4.469
  233   1HB   TYR  33          2HB       TYR  33   7.367  -1.398  -3.841
  234   2HB   TYR  33          1HB       TYR  33   7.367  -2.759  -2.724
  235    HD1  TYR  33           1HD      TYR  33   9.075  -2.954  -1.160
  236    HD2  TYR  33           2HD      TYR  33   9.699  -0.539  -4.607
  237    HE1  TYR  33           1HE      TYR  33  11.223  -2.195  -0.233
  238    HE2  TYR  33           2HE      TYR  33  11.849   0.225  -3.690
  239    HH   TYR  33           HH       TYR  33  13.416  -1.274  -1.183
  240    H    PHE  34           H        PHE  34   7.040  -5.011  -3.207
  241    HA   PHE  34           HA       PHE  34   5.241  -6.403  -3.252
  242   1HB   PHE  34          2HB       PHE  34   3.671  -4.455  -4.879
  243   2HB   PHE  34          1HB       PHE  34   3.186  -5.379  -3.464
  244    HD1  PHE  34           1HD      PHE  34   5.317  -4.637  -1.557
  245    HD2  PHE  34           2HD      PHE  34   3.134  -2.268  -4.335
  246    HE1  PHE  34           1HE      PHE  34   5.680  -2.655  -0.143
  247    HE2  PHE  34           2HE      PHE  34   3.495  -0.281  -2.928
  248    HZ   PHE  34           HZ       PHE  34   4.766  -0.471  -0.831
  249    HA   PRO  35           HA       PRO  35   6.330  -7.607  -7.665
  250   1HB   PRO  35          2HB       PRO  35   6.975 -10.186  -6.926
  251   2HB   PRO  35          1HB       PRO  35   8.138  -8.866  -7.081
  252   1HG   PRO  35          2HG       PRO  35   6.817  -9.950  -4.629
  253   2HG   PRO  35          1HG       PRO  35   8.493  -9.422  -4.860
  254   1HD   PRO  35          2HD       PRO  35   6.693  -7.873  -3.611
  255   2HD   PRO  35          1HD       PRO  35   7.946  -7.178  -4.662
  256    H    ASP  36           H        ASP  36   4.358  -8.935  -5.108
  257    HA   ASP  36           HA       ASP  36   2.651 -10.222  -7.128
  258   1HB   ASP  36          2HB       ASP  36   3.618 -11.858  -5.614
  259   2HB   ASP  36          1HB       ASP  36   3.057 -10.940  -4.221
  260    H    GLY  37           H        GLY  37   2.862  -7.604  -5.074
  261   1HA   GLY  37          2HA       GLY  37   1.161  -5.957  -4.963
  262   2HA   GLY  37          1HA       GLY  37  -0.039  -7.216  -5.208
  263    H    VAL  38           H        VAL  38  -0.163  -5.234  -3.195
  264    HA   VAL  38           HA       VAL  38   0.003  -6.949  -0.816
  265    HB   VAL  38           HB       VAL  38   0.397  -4.829   0.513
  266   1HG1  VAL  38          1HG1      VAL  38   2.745  -5.219  -1.258
  267   2HG1  VAL  38          2HG1      VAL  38   2.119  -6.627  -0.399
  268   3HG1  VAL  38          3HG1      VAL  38   2.642  -5.204   0.503
  269   1HG2  VAL  38          1HG2      VAL  38  -0.153  -3.118  -1.016
  270   2HG2  VAL  38          2HG2      VAL  38   0.903  -3.783  -2.261
  271   3HG2  VAL  38          3HG2      VAL  38   1.598  -3.036  -0.823
  272    H    TYR  39           H        TYR  39  -1.475  -6.314   0.922
  273    HA   TYR  39           HA       TYR  39  -4.103  -5.909  -0.067
  274   1HB   TYR  39          2HB       TYR  39  -2.867  -6.742   2.374
  275   2HB   TYR  39          1HB       TYR  39  -4.032  -5.479   2.745
  276    HD1  TYR  39           1HD      TYR  39  -5.979  -6.410   3.553
  277    HD2  TYR  39           2HD      TYR  39  -4.011  -8.297   0.289
  278    HE1  TYR  39           1HE      TYR  39  -7.804  -8.052   3.413
  279    HE2  TYR  39           2HE      TYR  39  -5.831  -9.945   0.136
  280    HH   TYR  39           HH       TYR  39  -7.980 -10.535   2.492
  281    H    CYS  40           H        CYS  40  -3.924  -3.876  -1.147
  282    HA   CYS  40           HA       CYS  40  -3.437  -1.525   0.493
  283   1HB   CYS  40          2HB       CYS  40  -3.637  -2.063  -2.425
  284   2HB   CYS  40          1HB       CYS  40  -4.011  -0.441  -1.860
  285    HG   CYS  40           HG       CYS  40  -1.614  -0.055  -1.284
  286    H    ARG  41           H        ARG  41  -4.900   0.113   0.855
  287    HA   ARG  41           HA       ARG  41  -7.471   0.322  -0.193
  288   1HB   ARG  41          2HB       ARG  41  -8.904  -0.707   1.309
  289   2HB   ARG  41          1HB       ARG  41  -7.600  -1.876   1.204
  290   1HG   ARG  41          2HG       ARG  41  -6.705  -1.174   3.306
  291   2HG   ARG  41          1HG       ARG  41  -7.820   0.190   3.382
  292   1HD   ARG  41          2HD       ARG  41  -8.423  -2.738   3.656
  293   2HD   ARG  41          1HD       ARG  41  -8.743  -1.437   4.802
  294    HE   ARG  41           HE       ARG  41 -10.424  -2.282   2.668
  295   1HH1  ARG  41          1HH1      ARG  41  -9.439   0.527   4.488
  296   2HH1  ARG  41          2HH1      ARG  41 -10.904   1.396   4.180
  297   1HH2  ARG  41          1HH2      ARG  41 -12.352  -1.140   2.260
  298   2HH2  ARG  41          2HH2      ARG  41 -12.559   0.449   2.916
  299    H    LYS  42           H        LYS  42  -8.572   2.139   0.601
  300    HA   LYS  42           HA       LYS  42  -6.996   4.156   1.720
  301   1HB   LYS  42          2HB       LYS  42 -10.007   4.097   1.814
  302   2HB   LYS  42          1HB       LYS  42  -8.949   5.489   1.683
  303   1HG   LYS  42          2HG       LYS  42  -9.045   5.418  -0.523
  304   2HG   LYS  42          1HG       LYS  42  -8.466   3.753  -0.525
  305   1HD   LYS  42          2HD       LYS  42 -10.589   2.871  -0.610
  306   2HD   LYS  42          1HD       LYS  42 -11.320   4.284   0.154
  307   1HE   LYS  42          2HE       LYS  42 -10.631   5.523  -2.000
  308   2HE   LYS  42          1HE       LYS  42 -10.455   3.911  -2.692
  309   1HZ   LYS  42          1HZ       LYS  42 -12.941   4.528  -1.278
  310   2HZ   LYS  42          2HZ       LYS  42 -12.682   3.538  -2.624
  311   3HZ   LYS  42          3HZ       LYS  42 -12.716   5.220  -2.805
  312    H    LEU  43           H        LEU  43  -6.557   4.745   3.728
  313    HA   LEU  43           HA       LEU  43  -6.856   3.119   5.918
  314   1HB   LEU  43          2HB       LEU  43  -6.790   6.108   6.200
  315   2HB   LEU  43          1HB       LEU  43  -6.068   4.897   7.242
  316    HG   LEU  43           HG       LEU  43  -5.133   5.659   4.475
  317   1HD1  LEU  43          1HD1      LEU  43  -4.610   7.287   6.224
  318   2HD1  LEU  43          2HD1      LEU  43  -3.167   6.488   5.603
  319   3HD1  LEU  43          3HD1      LEU  43  -3.835   6.012   7.164
  320   1HD2  LEU  43          1HD2      LEU  43  -4.911   3.213   5.090
  321   2HD2  LEU  43          2HD2      LEU  43  -3.809   3.734   6.364
  322   3HD2  LEU  43          3HD2      LEU  43  -3.417   4.054   4.674
  323    H    ASP  44           H        ASP  44  -9.079   5.533   4.694
  324    HA   ASP  44           HA       ASP  44 -10.981   4.778   6.812
  325   1HB   ASP  44          2HB       ASP  44 -10.072   7.201   6.735
  326   2HB   ASP  44          1HB       ASP  44 -11.112   7.387   5.326
  327    HA   PRO  45           HA       PRO  45 -12.881   4.375   7.270
  328   1HB   PRO  45          2HB       PRO  45 -14.573   2.298   7.179
  329   2HB   PRO  45          1HB       PRO  45 -15.101   3.937   6.781
  330   1HG   PRO  45          2HG       PRO  45 -14.363   1.688   4.949
  331   2HG   PRO  45          1HG       PRO  45 -15.716   2.828   4.831
  332   1HD   PRO  45          2HD       PRO  45 -13.381   3.085   3.422
  333   2HD   PRO  45          1HD       PRO  45 -14.423   4.451   3.862
  334    HA   PRO  46           HA       PRO  46  -9.693   1.316   7.901
  335   1HB   PRO  46          2HB       PRO  46 -10.871   1.066  10.610
  336   2HB   PRO  46          1HB       PRO  46  -9.218   1.468  10.133
  337   1HG   PRO  46          2HG       PRO  46 -10.860   3.336  11.098
  338   2HG   PRO  46          1HG       PRO  46  -9.716   3.703   9.793
  339   1HD   PRO  46          2HD       PRO  46 -12.664   3.206   9.649
  340   2HD   PRO  46          1HD       PRO  46 -11.672   4.383   8.763
  341    H    GLY  47           H        GLY  47  -9.771  -0.737   7.249
  342   1HA   GLY  47          2HA       GLY  47 -10.381  -2.957   7.140
  343   2HA   GLY  47          1HA       GLY  47 -11.419  -2.687   8.530
  344    H    GLY  48           H        GLY  48 -11.217  -2.748   5.057
  345   1HA   GLY  48          2HA       GLY  48 -14.110  -3.064   4.930
  346   2HA   GLY  48          1HA       GLY  48 -13.448  -1.692   4.056
  347    H    GLN  49           H        GLN  49 -14.154  -2.517   2.072
  348    HA   GLN  49           HA       GLN  49 -13.502  -5.111   1.144
  349   1HB   GLN  49          2HB       GLN  49 -14.199  -2.618  -0.411
  350   2HB   GLN  49          1HB       GLN  49 -14.144  -4.244  -1.078
  351   1HG   GLN  49          2HG       GLN  49 -16.026  -3.221   1.036
  352   2HG   GLN  49          1HG       GLN  49 -16.422  -3.635  -0.631
  353   1HE2  GLN  49          1HE2      GLN  49 -15.163  -5.997  -0.990
  354   2HE2  GLN  49          2HE2      GLN  49 -15.807  -7.195   0.076
  355    H    PHE  50           H        PHE  50 -11.225  -5.043   1.861
  356    HA   PHE  50           HA       PHE  50  -9.194  -3.477   0.938
  357   1HB   PHE  50          2HB       PHE  50  -9.429  -6.222   1.900
  358   2HB   PHE  50          1HB       PHE  50  -8.087  -6.018   0.779
  359    HD1  PHE  50           1HD      PHE  50  -9.034  -5.864   4.123
  360    HD2  PHE  50           2HD      PHE  50  -6.617  -3.855   1.254
  361    HE1  PHE  50           1HE      PHE  50  -7.673  -4.915   5.940
  362    HE2  PHE  50           2HE      PHE  50  -5.253  -2.902   3.067
  363    HZ   PHE  50           HZ       PHE  50  -5.779  -3.432   5.413
  364    H    TYR  51           H        TYR  51  -7.500  -4.022  -0.731
  365    HA   TYR  51           HA       TYR  51  -8.317  -5.486  -3.055
  366   1HB   TYR  51          2HB       TYR  51  -8.844  -2.614  -2.889
  367   2HB   TYR  51          1HB       TYR  51  -7.878  -3.055  -4.292
  368    HD1  TYR  51           1HD      TYR  51  -8.782  -4.888  -5.827
  369    HD2  TYR  51           2HD      TYR  51 -11.163  -2.940  -2.890
  370    HE1  TYR  51           1HE      TYR  51 -10.815  -5.610  -7.006
  371    HE2  TYR  51           2HE      TYR  51 -13.204  -3.658  -4.059
  372    HH   TYR  51           HH       TYR  51 -13.245  -4.770  -7.169
  373    H    ASN  52           H        ASN  52  -6.586  -6.133  -4.193
  374    HA   ASN  52           HA       ASN  52  -3.992  -5.753  -3.214
  375   1HB   ASN  52          2HB       ASN  52  -4.969  -7.609  -4.760
  376   2HB   ASN  52          1HB       ASN  52  -4.509  -6.526  -6.070
  377   1HD2  ASN  52          1HD2      ASN  52  -3.012  -8.031  -6.829
  378   2HD2  ASN  52          2HD2      ASN  52  -1.500  -8.289  -6.035
  379    H    SER  53           H        SER  53  -2.346  -4.392  -3.736
  380    HA   SER  53           HA       SER  53  -2.863  -1.851  -4.706
  381   1HB   SER  53          2HB       SER  53  -0.556  -1.442  -4.550
  382   2HB   SER  53          1HB       SER  53  -0.820  -2.742  -3.387
  383    HG   SER  53           HG       SER  53   0.947  -2.817  -5.176
  384    H    LYS  54           H        LYS  54  -2.005  -4.756  -6.434
  385    HA   LYS  54           HA       LYS  54  -1.413  -3.405  -8.901
  386   1HB   LYS  54          2HB       LYS  54  -1.182  -6.069  -7.859
  387   2HB   LYS  54          1HB       LYS  54  -2.014  -6.124  -9.408
  388   1HG   LYS  54          2HG       LYS  54   0.134  -6.281 -10.125
  389   2HG   LYS  54          1HG       LYS  54  -0.040  -4.525 -10.126
  390   1HD   LYS  54          2HD       LYS  54   1.337  -4.251  -8.339
  391   2HD   LYS  54          1HD       LYS  54   0.860  -5.781  -7.600
  392   1HE   LYS  54          2HE       LYS  54   2.419  -6.980  -8.749
  393   2HE   LYS  54          1HE       LYS  54   2.372  -5.908 -10.148
  394   1HZ   LYS  54          1HZ       LYS  54   3.972  -5.721  -7.715
  395   2HZ   LYS  54          2HZ       LYS  54   3.429  -4.267  -8.386
  396   3HZ   LYS  54          3HZ       LYS  54   4.375  -5.322  -9.309
  397    H    ARG  55           H        ARG  55  -4.260  -3.937  -7.294
  398    HA   ARG  55           HA       ARG  55  -5.791  -4.074  -9.806
  399   1HB   ARG  55          2HB       ARG  55  -5.980  -5.858  -7.814
  400   2HB   ARG  55          1HB       ARG  55  -7.139  -4.671  -7.232
  401   1HG   ARG  55          2HG       ARG  55  -8.529  -5.984  -8.455
  402   2HG   ARG  55          1HG       ARG  55  -8.030  -4.849  -9.711
  403   1HD   ARG  55          2HD       ARG  55  -6.525  -6.382 -10.653
  404   2HD   ARG  55          1HD       ARG  55  -6.548  -7.413  -9.222
  405    HE   ARG  55           HE       ARG  55  -8.393  -7.455 -11.416
  406   1HH1  ARG  55          1HH1      ARG  55  -8.003  -8.161  -8.020
  407   2HH1  ARG  55          2HH1      ARG  55  -9.266  -9.344  -7.993
  408   1HH2  ARG  55          1HH2      ARG  55 -10.055  -9.012 -11.382
  409   2HH2  ARG  55          2HH2      ARG  55 -10.432  -9.828  -9.901
  410    H    ILE  56           H        ILE  56  -4.725  -1.887  -7.680
  411    HA   ILE  56           HA       ILE  56  -7.234  -0.359  -7.597
  412    HB   ILE  56           HB       ILE  56  -4.691   0.025  -6.017
  413   1HG1  ILE  56          2HG1      ILE  56  -7.422  -1.039  -5.275
  414   2HG1  ILE  56          1HG1      ILE  56  -5.898  -1.918  -5.255
  415   1HG2  ILE  56          1HG2      ILE  56  -7.301   1.537  -5.942
  416   2HG2  ILE  56          2HG2      ILE  56  -5.720   2.167  -6.408
  417   3HG2  ILE  56          3HG2      ILE  56  -6.021   1.687  -4.737
  418   1HD1  ILE  56          1HD1      ILE  56  -5.588  -1.335  -3.150
  419   2HD1  ILE  56          2HD1      ILE  56  -7.122  -0.463  -3.171
  420   3HD1  ILE  56          3HD1      ILE  56  -5.627   0.369  -3.600
  421    H    ASP  57           H        ASP  57  -7.212   1.870  -8.177
  422    HA   ASP  57           HA       ASP  57  -5.047   2.572 -10.049
  423   1HB   ASP  57          2HB       ASP  57  -7.424   2.125 -10.959
  424   2HB   ASP  57          1HB       ASP  57  -7.841   3.672 -10.230
  425    H    PHE  58           H        PHE  58  -3.882   3.579  -8.323
  426    HA   PHE  58           HA       PHE  58  -4.871   5.566  -6.638
  427   1HB   PHE  58          2HB       PHE  58  -2.077   5.322  -7.768
  428   2HB   PHE  58          1HB       PHE  58  -2.533   6.265  -6.354
  429    HD1  PHE  58           1HD      PHE  58  -1.971   2.906  -7.680
  430    HD2  PHE  58           2HD      PHE  58  -3.041   5.191  -4.253
  431    HE1  PHE  58           1HE      PHE  58  -1.592   0.937  -6.253
  432    HE2  PHE  58           2HE      PHE  58  -2.663   3.227  -2.819
  433    HZ   PHE  58           HZ       PHE  58  -1.936   1.096  -3.820
  434    H    ASP  59           H        ASP  59  -4.087   5.670  -9.991
  435    HA   ASP  59           HA       ASP  59  -3.760   8.505 -10.183
  436   1HB   ASP  59          2HB       ASP  59  -2.810   6.867 -11.817
  437   2HB   ASP  59          1HB       ASP  59  -4.446   6.551 -12.386
  438    H    LEU  60           H        LEU  60  -6.468   6.480  -9.844
  439    HA   LEU  60           HA       LEU  60  -8.270   8.374 -11.114
  440   1HB   LEU  60          2HB       LEU  60  -8.630   5.601 -10.022
  441   2HB   LEU  60          1HB       LEU  60 -10.004   6.611 -10.428
  442    HG   LEU  60           HG       LEU  60  -7.846   5.902 -12.409
  443   1HD1  LEU  60          1HD1      LEU  60  -9.488   4.058 -11.298
  444   2HD1  LEU  60          2HD1      LEU  60  -8.860   3.971 -12.943
  445   3HD1  LEU  60          3HD1      LEU  60 -10.474   4.617 -12.649
  446   1HD2  LEU  60          1HD2      LEU  60  -9.372   6.689 -14.055
  447   2HD2  LEU  60          2HD2      LEU  60  -9.271   7.927 -12.804
  448   3HD2  LEU  60          3HD2      LEU  60 -10.666   6.850 -12.867
  449    H    TYR  61           H        TYR  61  -6.823   9.010  -8.648
  450    HA   TYR  61           HA       TYR  61  -9.152   9.704  -7.017
  451   1HB   TYR  61          2HB       TYR  61  -6.630   8.382  -6.015
  452   2HB   TYR  61          1HB       TYR  61  -7.743   9.241  -4.956
  453    HD1  TYR  61           1HD      TYR  61 -10.212   8.446  -4.990
  454    HD2  TYR  61           2HD      TYR  61  -6.965   6.122  -6.458
  455    HE1  TYR  61           1HE      TYR  61 -11.575   6.412  -4.768
  456    HE2  TYR  61           2HE      TYR  61  -8.319   4.082  -6.240
  457    HH   TYR  61           HH       TYR  61 -10.924   3.592  -6.233
  458    H    THR  62           H        THR  62  -5.663  10.182  -7.512
  459    HA   THR  62           HA       THR  62  -6.038  13.011  -6.773
  460    HB   THR  62           HB       THR  62  -4.556  11.761  -5.235
  461    HG1  THR  62           1HG      THR  62  -3.864  13.758  -5.204
  462   1HG2  THR  62          1HG2      THR  62  -3.627  10.363  -7.295
  463   2HG2  THR  62          2HG2      THR  62  -2.699  10.623  -5.818
  464   3HG2  THR  62          3HG2      THR  62  -2.393  11.623  -7.238
  465   1H    SER  63          1HT       SER  63  19.094   7.981  -6.382
  466   2H    SER  63          2HT       SER  63  19.131   6.265  -6.411
  467   3H    SER  63          3HT       SER  63  18.790   7.095  -4.947
  468    HA   SER  63           HA       SER  63  17.127   7.222  -7.370
  469   1HB   SER  63          2HB       SER  63  17.434   4.957  -6.076
  470   2HB   SER  63          1HB       SER  63  16.409   5.729  -4.866
  471    HG   SER  63           HG       SER  63  15.762   5.401  -7.611
  472    H    HIS  64           H        HIS  64  14.851   7.833  -6.649
  473    HA   HIS  64           HA       HIS  64  15.041   9.988  -4.648
  474   1HB   HIS  64          2HB       HIS  64  14.656  10.746  -6.981
  475   2HB   HIS  64          1HB       HIS  64  13.168   9.806  -7.017
  476    HD1  HIS  64           1HD      HIS  64  11.221  11.287  -6.745
  477    HD2  HIS  64           2HD      HIS  64  14.457  12.584  -4.484
  478    HE1  HIS  64           1HE      HIS  64  10.418  13.342  -5.541
  479    HE2  HIS  64           2HE      HIS  64  12.365  14.059  -4.112
  480    H    ARG  65           H        ARG  65  14.484   7.335  -3.877
  481    HA   ARG  65           HA       ARG  65  11.956   7.752  -2.560
  482   1HB   ARG  65          2HB       ARG  65  11.005   6.760  -4.462
  483   2HB   ARG  65          1HB       ARG  65  12.321   5.611  -4.636
  484   1HG   ARG  65          2HG       ARG  65  10.980   5.242  -2.112
  485   2HG   ARG  65          1HG       ARG  65   9.834   5.182  -3.452
  486   1HD   ARG  65          2HD       ARG  65  10.569   2.970  -3.194
  487   2HD   ARG  65          1HD       ARG  65  11.476   3.591  -4.571
  488    HE   ARG  65           HE       ARG  65  12.759   3.747  -1.962
  489   1HH1  ARG  65          1HH1      ARG  65  12.456   2.057  -5.006
  490   2HH1  ARG  65          2HH1      ARG  65  13.988   1.266  -4.856
  491   1HH2  ARG  65          1HH2      ARG  65  14.769   2.703  -1.770
  492   2HH2  ARG  65          2HH2      ARG  65  15.299   1.630  -3.022
  493    HA   PRO  66           HA       PRO  66  14.310   5.396   0.396
  494   1HB   PRO  66          2HB       PRO  66  12.668   5.666   2.478
  495   2HB   PRO  66          1HB       PRO  66  13.537   7.055   1.816
  496   1HG   PRO  66          2HG       PRO  66  10.678   6.273   1.491
  497   2HG   PRO  66          1HG       PRO  66  11.392   7.887   1.632
  498   1HD   PRO  66          2HD       PRO  66  10.632   6.621  -0.752
  499   2HD   PRO  66          1HD       PRO  66  11.669   8.052  -0.617
  500    HA   PRO  67           HA       PRO  67  12.420   1.398   0.735
  501   1HB   PRO  67          2HB       PRO  67  13.481   0.407   2.978
  502   2HB   PRO  67          1HB       PRO  67  14.493   0.819   1.588
  503   1HG   PRO  67          2HG       PRO  67  14.094   2.290   4.145
  504   2HG   PRO  67          1HG       PRO  67  15.552   2.136   3.152
  505   1HD   PRO  67          2HD       PRO  67  13.780   4.313   3.176
  506   2HD   PRO  67          1HD       PRO  67  15.029   4.001   1.961
  507    HA   PRO  68           HA       PRO  68   8.719   2.068   3.214
  508   1HB   PRO  68          2HB       PRO  68   7.403  -0.174   2.411
  509   2HB   PRO  68          1HB       PRO  68   7.499   1.295   1.432
  510   1HG   PRO  68          2HG       PRO  68   9.119  -1.216   1.243
  511   2HG   PRO  68          1HG       PRO  68   8.400  -0.248  -0.058
  512   1HD   PRO  68          2HD       PRO  68  11.017  -0.079   0.586
  513   2HD   PRO  68          1HD       PRO  68  10.093   1.321   0.005
  514    HA   PRO  69           HA       PRO  69   9.216  -0.415   6.822
  515   1HB   PRO  69          2HB       PRO  69   6.628  -0.951   7.541
  516   2HB   PRO  69          1HB       PRO  69   7.429   0.596   7.824
  517   1HG   PRO  69          2HG       PRO  69   5.535  -0.188   5.652
  518   2HG   PRO  69          1HG       PRO  69   5.638   1.328   6.560
  519   1HD   PRO  69          2HD       PRO  69   6.605   1.074   4.050
  520   2HD   PRO  69          1HD       PRO  69   7.358   2.141   5.253
  521    H    GLY  70           H        GLY  70   8.280  -2.499   7.896
  522   1HA   GLY  70          2HA       GLY  70   7.883  -4.760   7.789
  523   2HA   GLY  70          1HA       GLY  70   7.232  -4.515   6.177
  524    H    HIS  71           H        HIS  71   9.014  -3.947   4.515
  525    HA   HIS  71           HA       HIS  71  10.616  -4.926   3.214
  526   1HB   HIS  71          2HB       HIS  71  12.825  -4.504   3.988
  527   2HB   HIS  71          1HB       HIS  71  11.808  -3.265   4.694
  528    HD1  HIS  71           1HD      HIS  71  13.294  -2.792   6.611
  529    HD2  HIS  71           2HD      HIS  71  12.248  -6.791   6.435
  530    HE1  HIS  71           1HE      HIS  71  14.065  -3.776   8.794
  531    HE2  HIS  71           2HE      HIS  71  13.503  -6.225   8.618
  532    H    ARG  72           H        ARG  72  12.839  -6.483   3.806
  533    HA   ARG  72           HA       ARG  72  12.418  -8.704   5.404
  534   1HB   ARG  72          2HB       ARG  72  10.966  -8.775   2.853
  535   2HB   ARG  72          1HB       ARG  72  11.986 -10.181   3.123
  536   1HG   ARG  72          2HG       ARG  72  10.647 -11.001   4.714
  537   2HG   ARG  72          1HG       ARG  72  10.367  -9.416   5.438
  538   1HD   ARG  72          2HD       ARG  72   8.605  -8.933   4.003
  539   2HD   ARG  72          1HD       ARG  72   9.126 -10.119   2.808
  540    HE   ARG  72           HE       ARG  72   8.465 -11.516   5.116
  541   1HH1  ARG  72          1HH1      ARG  72   6.867  -9.499   2.759
  542   2HH1  ARG  72          2HH1      ARG  72   5.332 -10.279   2.947
  543   1HH2  ARG  72          1HH2      ARG  72   6.448 -12.544   5.365
  544   2HH2  ARG  72          2HH2      ARG  72   5.094 -12.007   4.427
  545    H    VAL  73           H        VAL  73  14.361  -9.583   5.634
  546    HA   VAL  73           HA       VAL  73  16.334  -9.186   3.494
  547    HB   VAL  73           HB       VAL  73  18.041  -9.620   5.222
  548   1HG1  VAL  73          1HG1      VAL  73  17.204  -7.553   6.720
  549   2HG1  VAL  73          2HG1      VAL  73  16.111  -7.392   5.346
  550   3HG1  VAL  73          3HG1      VAL  73  17.856  -7.373   5.091
  551   1HG2  VAL  73          1HG2      VAL  73  16.605  -9.264   7.604
  552   2HG2  VAL  73          2HG2      VAL  73  17.466 -10.708   7.073
  553   3HG2  VAL  73          3HG2      VAL  73  15.751 -10.521   6.709