*HEADER    PROTEIN BINDING                         18-FEB-02   1L1K              
*TITLE     NMR IDENTIFICATION AND CHARACTERIZATION OF THE FLEXIBLE               
*TITLE    2 REGIONS IN THE 160 KD MOLTEN GLOBULE-LIKE AGGREGATE OF               
*TITLE    3 BARSTAR AT LOW PH                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BARSTAR;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: FLEXIBLE REGION (RESIDUES 1-20);                           
*COMPND   5 SYNONYM: RIBONUCLEASE INHIBITOR;                                     
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS;                     
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: BARSTAR;                                                       
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: MM294;                                     
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PMT316                                    
*KEYWDS    BARSTAR, LOW PH, 160 KD, AGGREGATE, NMR                               
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    J.JUNEJA, N.S.BHAVESH, J.B.UDGAOKAR, R.V.HOSUR                        
*REVDAT   1   04-DEC-02 1L1K    0                                                

  1 LYS+ HN      1 LYS+ QB      4.98   # peak     46
  1 LYS+ HA      2 LYS+ HN      2.80   # peak     17
  2 LYS+ HN      2 LYS+ QB      4.64   # peak     47
  2 LYS+ HN      2 LYS+ QG      6.38   # peak     49
  2 LYS+ HA      3 ALA  HN      2.46   # peak     22
  2 LYS+ QB      3 ALA  HN      4.98   # peak     45
  3 ALA  HN      3 ALA  QB      4.08   # peak     51
  3 ALA  HA      4 VAL  HN      2.59   # peak     20
  3 ALA  QB      4 VAL  HN      4.82   # peak     52
  4 VAL  HN      4 VAL  HA      3.52   # peak     27
  4 VAL  HN      4 VAL  HB      3.17   # peak     39
  4 VAL  HN      4 VAL  QG1     4.54   # peak     57
  4 VAL  HA      5 ILE  HN      2.59   # peak     26
  4 VAL  HB      5 ILE  HN      3.79   # peak     37
  5 ILE  HN      5 ILE  HB      3.17   # peak     43
  5 ILE  HN      5 ILE  QG2     4.67   # peak     55
  5 ILE  HN      5 ILE  HG12    4.60   # peak     48
  5 ILE  HN      5 ILE  HG13    4.60   # peak     53
  5 ILE  HN      6 ASN  HN      3.76   # peak     10
  5 ILE  HA      6 ASN  HN      2.55   # peak     23
  5 ILE  HB      6 ASN  HN      3.73   # peak     44
  5 ILE  QG2     6 ASN  HN      4.70   # peak     59
  5 ILE  QG2     7 GLY  HN      5.94   # peak     67
  6 ASN  HN      6 ASN  HA      3.08   # peak     14
  6 ASN  HN      6 ASN  HB3     3.11   # peak     30
  6 ASN  HA      7 GLY  HN      2.74   # peak     64
  6 ASN  HB3     7 GLY  HN      3.45   # peak     66
  7 GLY  HN      7 GLY  QA      3.80   # peak     65
  7 GLY  HN      8 GLU  HN      3.39   # peak     63
  7 GLY  QA      8 GLU  HN      3.96   # peak     28
  8 GLU  HN      8 GLU  HA      3.14   # peak     21
  8 GLU  HN      8 GLU  HB2     3.14   # peak     35
  8 GLU  HN      8 GLU  HB3     2.93   # peak     40
  8 GLU  HN      8 GLU  QG      5.38   # peak     32
  9 GLN  HN      9 GLN  HA      2.59   # peak     19
  9 GLN  HN      9 GLN  HB3     2.90   # peak     38
  9 GLN  HN      9 GLN  QG      5.63   # peak     34
  9 GLN  HN     10 ILE  HN      3.89   # peak      4
  9 GLN  HN     10 ILE  QG2     6.22   # peak     61
  9 GLN  HA     10 ILE  HN      2.93   # peak     18
  9 GLN  HB2    10 ILE  HN      3.95   # peak     36
  9 GLN  QG     10 ILE  HN      6.38   # peak     33
 10 ILE  HN     10 ILE  HA      3.64   # peak     25
 10 ILE  HN     10 ILE  HB      3.24   # peak     42
 10 ILE  HN     10 ILE  QG2     5.29   # peak     60
 10 ILE  HN     10 ILE  HG12    4.60   # peak     50
 10 ILE  HN     10 ILE  HG13    4.76   # peak     54
 10 ILE  HA     12 SER  HN      3.11   # peak     24
 10 ILE  HB     12 SER  HN      3.70   # peak     41
 10 ILE  QG2    11 ARG+ HN      6.22   # peak     56
 10 ILE  QG2    12 SER  HN      5.41   # peak     58
 11 ARG+ HN     11 ARG+ HA      3.05   # peak     15
 11 ARG+ HN     11 ARG+ QD      5.54   # peak     31
 12 SER  HN     12 SER  HA      3.45   # peak     16
 12 SER  HN     12 SER  HB3     3.17   # peak     29
 15 ASP  HN     16 LEU  HN      4.04   # peak     70
 15 ASP  HA     16 LEU  HN      3.52   # peak     76
 15 ASP  HA     18 GLN  HN      3.14   # peak     77
 15 ASP  HB3    16 LEU  HN      4.01   # peak     81
 15 ASP  HB3    18 GLN  HN      3.33   # peak     82
 16 LEU  HN     16 LEU  HA      3.70   # peak     79
 16 LEU  HN     16 LEU  QB      4.76   # peak     87
 16 LEU  HN     16 LEU  QQD     7.63   # peak     90
 16 LEU  HN     18 GLN  HN      3.76   # peak     75
 16 LEU  HA     18 GLN  HN      3.92   # peak     80
 16 LEU  QB     18 GLN  HN      5.51   # peak     88
 16 LEU  HN 17 HIS HN 4.00   # peak      
 16 LEU  QB 17 HIS  HN 4.00   # peak      
 18 GLN  HN     18 GLN  HB3     3.58   # peak     84
 18 GLN  HN     18 GLN  QG      6.35   # peak     83
 18 GLN  HB3    19 THR  HN      4.29   # peak     85
 18 GLN  HN 17 HIS  HB2 4.00   # peak       
 18 GLN  HN 17 HIS  HB3 4.00   # peak       
 19 THR  HN     19 THR  QG2     6.31   # peak     89
 20 LEU  HN     20 LEU  HA      3.61   # peak     78
 20 LEU  HN     20 LEU  QB      5.01   # peak     86


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    LYS   1           HN       LYS   1   1.884   0.000   0.829
    2    HA   LYS   1           HA       LYS   1   1.504   0.584  -1.969
    3   1HB   LYS   1          2HB       LYS   1   3.278   1.641  -0.531
    4   2HB   LYS   1          3HB       LYS   1   4.073   0.083  -0.442
    5   1HG   LYS   1          2HG       LYS   1   5.151   0.717  -2.349
    6   2HG   LYS   1          3HG       LYS   1   3.656   0.315  -3.170
    7   1HD   LYS   1          2HD       LYS   1   3.567   3.012  -1.980
    8   2HD   LYS   1          3HD       LYS   1   4.896   2.840  -3.109
    9   1HE   LYS   1          2HE       LYS   1   2.812   1.588  -4.473
   10   2HE   LYS   1          3HE       LYS   1   1.973   2.873  -3.628
   11   1HZ   LYS   1          1HZ       LYS   1   4.221   3.139  -5.487
   12   2HZ   LYS   1          2HZ       LYS   1   2.722   3.770  -5.626
   13   3HZ   LYS   1          3HZ       LYS   1   3.757   4.363  -4.512
   14    H    LYS   2           HN       LYS   2   0.343  -1.309  -2.662
   15    HA   LYS   2           HA       LYS   2   2.160  -3.541  -3.113
   16   1HB   LYS   2          2HB       LYS   2   0.602  -5.194  -2.380
   17   2HB   LYS   2          3HB       LYS   2   0.828  -4.056  -1.067
   18   1HG   LYS   2          2HG       LYS   2  -1.326  -3.216  -1.226
   19   2HG   LYS   2          3HG       LYS   2  -1.391  -3.406  -2.967
   20   1HD   LYS   2          2HD       LYS   2  -1.936  -5.720  -2.828
   21   2HD   LYS   2          3HD       LYS   2  -1.344  -5.860  -1.184
   22   1HE   LYS   2          2HE       LYS   2  -3.222  -4.444  -0.365
   23   2HE   LYS   2          3HE       LYS   2  -3.800  -4.235  -2.007
   24   1HZ   LYS   2          1HZ       LYS   2  -4.176  -6.581  -2.141
   25   2HZ   LYS   2          2HZ       LYS   2  -3.548  -6.833  -0.655
   26   3HZ   LYS   2          3HZ       LYS   2  -4.942  -5.999  -0.822
   27    H    ALA   3           HN       ALA   3   1.695  -4.726  -5.045
   28    HA   ALA   3           HA       ALA   3  -0.228  -3.327  -6.776
   29   1HB   ALA   3          1HB       ALA   3   2.238  -4.842  -7.684
   30   2HB   ALA   3          2HB       ALA   3   1.260  -3.669  -8.598
   31   3HB   ALA   3          3HB       ALA   3   2.289  -3.116  -7.255
   32    H    VAL   4           HN       VAL   4  -1.622  -4.594  -8.063
   33    HA   VAL   4           HA       VAL   4  -2.025  -7.255  -7.028
   34    HB   VAL   4           HB       VAL   4  -3.538  -5.698  -9.134
   35   1HG1  VAL   4          1HG1      VAL   4  -4.329  -7.835  -9.418
   36   2HG1  VAL   4          2HG1      VAL   4  -3.982  -8.309  -7.738
   37   3HG1  VAL   4          3HG1      VAL   4  -5.396  -7.291  -8.101
   38   1HG2  VAL   4          1HG2      VAL   4  -3.790  -5.767  -6.121
   39   2HG2  VAL   4          2HG2      VAL   4  -3.662  -4.357  -7.200
   40   3HG2  VAL   4          3HG2      VAL   4  -5.156  -5.325  -7.174
   41    H    ILE   5           HN       ILE   5  -2.270  -9.148  -8.478
   42    HA   ILE   5           HA       ILE   5  -1.053  -8.920 -11.079
   43    HB   ILE   5           HB       ILE   5   0.243 -10.864  -9.215
   44   1HG1  ILE   5          2HG1      ILE   5   1.124  -7.980  -9.531
   45   2HG1  ILE   5          3HG1      ILE   5   0.370  -8.648  -8.098
   46   1HG2  ILE   5          1HG2      ILE   5   0.649 -11.138 -11.579
   47   2HG2  ILE   5          2HG2      ILE   5   1.122  -9.429 -11.735
   48   3HG2  ILE   5          3HG2      ILE   5   2.130 -10.549 -10.787
   49   1HD1  ILE   5          1HD1      ILE   5   3.064  -9.395  -9.300
   50   2HD1  ILE   5          2HD1      ILE   5   2.730  -8.729  -7.684
   51   3HD1  ILE   5          3HD1      ILE   5   2.260 -10.402  -8.072
   52    H    ASN   6           HN       ASN   6  -2.056 -10.305 -12.459
   53    HA   ASN   6           HA       ASN   6  -3.498 -12.500 -11.190
   54   1HB   ASN   6          2HB       ASN   6  -4.532 -10.305 -12.742
   55   2HB   ASN   6          3HB       ASN   6  -4.677 -11.736 -13.743
   56   1HD2  ASN   6          1HD2      ASN   6  -6.764 -12.198 -13.645
   57   2HD2  ASN   6          2HD2      ASN   6  -7.678 -12.525 -12.210
   58    H    GLY   7           HN       GLY   7  -3.054 -14.529 -12.124
   59   1HA   GLY   7          1HA       GLY   7  -2.775 -15.486 -14.498
   60   2HA   GLY   7          2HA       GLY   7  -1.305 -14.532 -14.492
   61    H    GLU   8           HN       GLU   8  -2.974 -17.357 -13.142
   62    HA   GLU   8           HA       GLU   8  -0.525 -18.041 -11.724
   63   1HB   GLU   8          2HB       GLU   8  -2.951 -17.980 -10.639
   64   2HB   GLU   8          3HB       GLU   8  -3.121 -19.553 -11.393
   65   1HG   GLU   8          2HG       GLU   8  -2.207 -20.217  -9.366
   66   2HG   GLU   8          3HG       GLU   8  -0.726 -19.992 -10.275
   67    HE2  GLU   8           HE2      GLU   8  -2.135 -17.026  -8.069
   68    H    GLN   9           HN       GLN   9   0.526 -20.050 -12.117
   69    HA   GLN   9           HA       GLN   9  -0.591 -22.018 -13.736
   70   1HB   GLN   9          2HB       GLN   9  -0.324 -20.881 -15.729
   71   2HB   GLN   9          3HB       GLN   9   0.978 -19.880 -15.117
   72   1HG   GLN   9          2HG       GLN   9   2.624 -21.486 -15.565
   73   2HG   GLN   9          3HG       GLN   9   1.513 -22.832 -15.406
   74   1HE2  GLN   9          1HE2      GLN   9   2.058 -19.924 -17.384
   75   2HE2  GLN   9          2HE2      GLN   9   1.645 -20.617 -18.917
   76    H    ILE  10           HN       ILE  10   0.441 -23.886 -13.144
   77    HA   ILE  10           HA       ILE  10   3.121 -23.568 -11.991
   78    HB   ILE  10           HB       ILE  10   2.089 -26.045 -11.235
   79   1HG1  ILE  10          2HG1      ILE  10  -0.051 -23.908 -10.999
   80   2HG1  ILE  10          3HG1      ILE  10  -0.140 -25.353 -11.986
   81   1HG2  ILE  10          1HG2      ILE  10   3.261 -25.153  -9.547
   82   2HG2  ILE  10          2HG2      ILE  10   2.846 -23.483 -10.002
   83   3HG2  ILE  10          3HG2      ILE  10   1.702 -24.455  -9.046
   84   1HD1  ILE  10          1HD1      ILE  10   0.360 -26.624  -9.720
   85   2HD1  ILE  10          2HD1      ILE  10  -0.200 -25.109  -8.973
   86   3HD1  ILE  10          3HD1      ILE  10  -1.283 -26.025 -10.049
   87    H    ARG  11           HN       ARG  11   3.343 -23.508 -14.618
   88    HA   ARG  11           HA       ARG  11   3.414 -26.184 -15.634
   89   1HB   ARG  11          2HB       ARG  11   2.684 -24.199 -17.033
   90   2HB   ARG  11          3HB       ARG  11   4.315 -23.565 -16.938
   91   1HG   ARG  11          2HG       ARG  11   4.417 -26.347 -17.784
   92   2HG   ARG  11          3HG       ARG  11   3.288 -25.476 -18.802
   93   1HD   ARG  11          2HD       ARG  11   5.396 -23.669 -18.635
   94   2HD   ARG  11          3HD       ARG  11   6.242 -25.203 -18.597
   95    HE   ARG  11           HE       ARG  11   4.456 -25.570 -20.663
   96   1HH1  ARG  11          2HH2      ARG  11   6.788 -23.039 -19.932
   97   2HH1  ARG  11          1HH2      ARG  11   7.070 -22.640 -21.594
   98   1HH2  ARG  11          2HH1      ARG  11   4.827 -25.045 -22.856
   99   2HH2  ARG  11          1HH1      ARG  11   5.946 -23.790 -23.268
  100    H    SER  12           HN       SER  12   5.149 -25.736 -13.381
  101    HA   SER  12           HA       SER  12   7.765 -25.356 -14.527
  102   1HB   SER  12          2HB       SER  12   8.500 -25.634 -12.099
  103   2HB   SER  12          3HB       SER  12   7.460 -24.260 -12.420
  104    HG   SER  12           HG       SER  12   6.825 -25.491 -10.508
  105    H    ILE  13           HN       ILE  13   7.792 -27.302 -15.880
  106    HA   ILE  13           HA       ILE  13   8.002 -29.770 -14.301
  107    HB   ILE  13           HB       ILE  13   6.124 -29.636 -15.930
  108   1HG1  ILE  13          2HG1      ILE  13   7.809 -31.793 -17.035
  109   2HG1  ILE  13          3HG1      ILE  13   7.762 -31.737 -15.284
  110   1HG2  ILE  13          1HG2      ILE  13   6.446 -29.566 -18.249
  111   2HG2  ILE  13          2HG2      ILE  13   7.512 -28.291 -17.611
  112   3HG2  ILE  13          3HG2      ILE  13   8.196 -29.857 -18.110
  113   1HD1  ILE  13          1HD1      ILE  13   5.088 -31.298 -16.372
  114   2HD1  ILE  13          2HD1      ILE  13   5.787 -32.808 -17.002
  115   3HD1  ILE  13          3HD1      ILE  13   5.650 -32.556 -15.246
  116    H    SER  14           HN       SER  14   9.687 -31.306 -14.976
  117    HA   SER  14           HA       SER  14  11.743 -31.814 -15.446
  118   1HB   SER  14          2HB       SER  14  11.161 -31.490 -17.786
  119   2HB   SER  14          3HB       SER  14  11.366 -29.754 -17.658
  120    HG   SER  14           HG       SER  14  13.552 -31.542 -17.090
  121    H    ASP  15           HN       ASP  15  12.891 -31.187 -13.605
  122    HA   ASP  15           HA       ASP  15  13.591 -28.405 -13.361
  123   1HB   ASP  15          2HB       ASP  15  13.238 -30.676 -11.576
  124   2HB   ASP  15          3HB       ASP  15  14.832 -29.994 -11.323
  125    HD2  ASP  15           HD2      ASP  15  12.061 -27.521 -11.745
  126    H    LEU  16           HN       LEU  16  14.721 -30.395 -15.446
  127    HA   LEU  16           HA       LEU  16  17.152 -31.389 -14.973
  128   1HB   LEU  16          2HB       LEU  16  15.698 -30.399 -17.241
  129   2HB   LEU  16          3HB       LEU  16  17.390 -29.975 -17.410
  130    HG   LEU  16           HG       LEU  16  16.774 -32.783 -16.619
  131   1HD1  LEU  16          1HD1      LEU  16  15.683 -31.537 -19.027
  132   2HD1  LEU  16          2HD1      LEU  16  16.727 -32.936 -19.376
  133   3HD1  LEU  16          3HD1      LEU  16  15.331 -33.117 -18.286
  134   1HD2  LEU  16          1HD2      LEU  16  18.707 -33.284 -17.975
  135   2HD2  LEU  16          2HD2      LEU  16  18.754 -31.616 -18.594
  136   3HD2  LEU  16          3HD2      LEU  16  19.089 -31.938 -16.875
  137    H    HIS  17           HN       HIS  17  16.576 -27.917 -15.892
  138    HA   HIS  17           HA       HIS  17  19.185 -27.352 -14.694
  139   1HB   HIS  17          2HB       HIS  17  17.848 -26.463 -17.119
  140   2HB   HIS  17          3HB       HIS  17  18.324 -25.100 -16.126
  141    HD1  HIS  17           HD1      HIS  17  19.714 -27.849 -18.250
  142    HD2  HIS  17           HD2      HIS  17  21.146 -24.803 -15.747
  143    HE1  HIS  17           HE1      HIS  17  22.214 -27.651 -18.723
  144    H    GLN  18           HN       GLN  18  16.713 -27.828 -13.158
  145    HA   GLN  18           HA       GLN  18  16.634 -25.219 -11.895
  146   1HB   GLN  18          2HB       GLN  18  14.504 -26.141 -13.425
  147   2HB   GLN  18          3HB       GLN  18  14.044 -26.653 -11.814
  148   1HG   GLN  18          2HG       GLN  18  13.474 -24.532 -11.259
  149   2HG   GLN  18          3HG       GLN  18  15.095 -23.970 -11.620
  150   1HE2  GLN  18          1HE2      GLN  18  12.673 -22.561 -12.054
  151   2HE2  GLN  18          2HE2      GLN  18  12.497 -22.253 -13.749
  152    H    THR  19           HN       THR  19  15.176 -25.623  -9.678
  153    HA   THR  19           HA       THR  19  15.738 -28.234  -8.559
  154    HB   THR  19           HB       THR  19  17.895 -26.995  -8.292
  155    HG1  THR  19           HG1      THR  19  17.698 -27.089  -5.829
  156   1HG2  THR  19          1HG2      THR  19  16.586 -24.677  -8.095
  157   2HG2  THR  19          2HG2      THR  19  16.468 -25.126  -6.377
  158   3HG2  THR  19          3HG2      THR  19  18.065 -24.938  -7.140
  159    H    LEU  20           HN       LEU  20  14.361 -28.791  -6.909
  160    HA   LEU  20           HA       LEU  20  12.122 -27.010  -6.592
  161   1HB   LEU  20          2HB       LEU  20  11.099 -28.877  -5.431
  162   2HB   LEU  20          3HB       LEU  20  11.728 -29.347  -6.998
  163    HG   LEU  20           HG       LEU  20  13.843 -30.043  -5.489
  164   1HD1  LEU  20          1HD1      LEU  20  11.831 -31.039  -3.592
  165   2HD1  LEU  20          2HD1      LEU  20  13.474 -30.415  -3.313
  166   3HD1  LEU  20          3HD1      LEU  20  12.114 -29.284  -3.507
  167   1HD2  LEU  20          1HD2      LEU  20  13.319 -32.144  -6.102
  168   2HD2  LEU  20          2HD2      LEU  20  11.686 -32.062  -5.399
  169   3HD2  LEU  20          3HD2      LEU  20  12.004 -31.345  -6.996
  Start of MODEL    2
    1    H    LYS   1           HN       LYS   1   1.884   0.000   0.829
    2    HA   LYS   1           HA       LYS   1   1.399   0.340  -2.032
    3   1HB   LYS   1          2HB       LYS   1   3.385   1.311  -0.143
    4   2HB   LYS   1          3HB       LYS   1   4.150   0.522  -1.508
    5   1HG   LYS   1          2HG       LYS   1   2.620   1.909  -3.036
    6   2HG   LYS   1          3HG       LYS   1   2.125   2.802  -1.612
    7   1HD   LYS   1          2HD       LYS   1   4.630   3.261  -1.184
    8   2HD   LYS   1          3HD       LYS   1   4.934   2.611  -2.783
    9   1HE   LYS   1          2HE       LYS   1   4.397   4.609  -3.709
   10   2HE   LYS   1          3HE       LYS   1   2.778   4.490  -3.050
   11   1HZ   LYS   1          1HZ       LYS   1   3.518   6.328  -2.004
   12   2HZ   LYS   1          2HZ       LYS   1   4.025   5.235  -0.902
   13   3HZ   LYS   1          3HZ       LYS   1   5.084   5.866  -1.973
   14    H    LYS   2           HN       LYS   2   0.559  -2.041  -1.750
   15    HA   LYS   2           HA       LYS   2   2.395  -3.691  -3.020
   16   1HB   LYS   2          2HB       LYS   2   3.607  -3.817  -0.937
   17   2HB   LYS   2          3HB       LYS   2   2.149  -4.197  -0.043
   18   1HG   LYS   2          2HG       LYS   2   1.903  -6.331  -1.271
   19   2HG   LYS   2          3HG       LYS   2   3.278  -5.940  -2.284
   20   1HD   LYS   2          2HD       LYS   2   4.584  -6.995  -0.756
   21   2HD   LYS   2          3HD       LYS   2   4.292  -5.643   0.320
   22   1HE   LYS   2          2HE       LYS   2   1.967  -7.295   0.493
   23   2HE   LYS   2          3HE       LYS   2   3.336  -8.388   0.537
   24   1HZ   LYS   2          1HZ       LYS   2   4.259  -7.115   2.321
   25   2HZ   LYS   2          2HZ       LYS   2   3.058  -6.011   2.243
   26   3HZ   LYS   2          3HZ       LYS   2   2.733  -7.541   2.715
   27    H    ALA   3           HN       ALA   3   0.642  -4.039  -4.396
   28    HA   ALA   3           HA       ALA   3  -1.671  -5.351  -3.146
   29   1HB   ALA   3          1HB       ALA   3  -2.113  -3.209  -4.337
   30   2HB   ALA   3          2HB       ALA   3  -1.441  -3.919  -5.824
   31   3HB   ALA   3          3HB       ALA   3  -2.925  -4.592  -5.109
   32    H    VAL   4           HN       VAL   4  -2.043  -7.477  -3.596
   33    HA   VAL   4           HA       VAL   4  -0.177  -8.755  -5.419
   34    HB   VAL   4           HB       VAL   4  -0.616  -9.543  -3.076
   35   1HG1  VAL   4          1HG1      VAL   4  -2.735  -9.737  -2.400
   36   2HG1  VAL   4          2HG1      VAL   4  -3.345  -9.555  -4.062
   37   3HG1  VAL   4          3HG1      VAL   4  -2.878 -11.162  -3.457
   38   1HG2  VAL   4          1HG2      VAL   4   0.189 -10.933  -5.161
   39   2HG2  VAL   4          2HG2      VAL   4  -0.208 -11.750  -3.631
   40   3HG2  VAL   4          3HG2      VAL   4  -1.382 -11.747  -4.968
   41    H    ILE   5           HN       ILE   5  -1.305 -10.745  -6.652
   42    HA   ILE   5           HA       ILE   5  -3.926 -10.057  -7.632
   43    HB   ILE   5           HB       ILE   5  -1.783 -10.253  -9.707
   44   1HG1  ILE   5          2HG1      ILE   5  -2.587  -7.665  -8.345
   45   2HG1  ILE   5          3HG1      ILE   5  -1.051  -8.480  -8.125
   46   1HG2  ILE   5          1HG2      ILE   5  -4.379 -10.341 -10.031
   47   2HG2  ILE   5          2HG2      ILE   5  -4.263  -8.574  -9.848
   48   3HG2  ILE   5          3HG2      ILE   5  -3.362  -9.395 -11.145
   49   1HD1  ILE   5          1HD1      ILE   5  -1.509  -8.268 -10.958
   50   2HD1  ILE   5          2HD1      ILE   5  -1.819  -6.675 -10.227
   51   3HD1  ILE   5          3HD1      ILE   5  -0.248  -7.475  -9.984
   52    H    ASN   6           HN       ASN   6  -5.041 -11.905  -8.042
   53    HA   ASN   6           HA       ASN   6  -3.404 -14.289  -8.423
   54   1HB   ASN   6          2HB       ASN   6  -5.285 -13.694  -6.324
   55   2HB   ASN   6          3HB       ASN   6  -6.031 -14.919  -7.331
   56   1HD2  ASN   6          1HD2      ASN   6  -5.843 -16.369  -5.589
   57   2HD2  ASN   6          2HD2      ASN   6  -4.355 -17.176  -5.220
   58    H    GLY   7           HN       GLY   7  -3.994 -15.503 -10.257
   59   1HA   GLY   7          1HA       GLY   7  -5.704 -16.435 -11.637
   60   2HA   GLY   7          2HA       GLY   7  -6.635 -14.961 -11.459
   61    H    GLU   8           HN       GLU   8  -5.094 -12.866 -12.057
   62    HA   GLU   8           HA       GLU   8  -3.902 -13.575 -14.626
   63   1HB   GLU   8          2HB       GLU   8  -6.202 -12.205 -14.446
   64   2HB   GLU   8          3HB       GLU   8  -5.117 -10.854 -14.185
   65   1HG   GLU   8          2HG       GLU   8  -4.722 -10.743 -16.412
   66   2HG   GLU   8          3HG       GLU   8  -4.024 -12.350 -16.368
   67    HE2  GLU   8           HE2      GLU   8  -6.591 -11.570 -18.582
   68    H    GLN   9           HN       GLN   9  -2.320 -11.783 -15.422
   69    HA   GLN   9           HA       GLN   9  -1.242 -10.030 -13.550
   70   1HB   GLN   9          2HB       GLN   9  -0.144 -11.638 -12.306
   71   2HB   GLN   9          3HB       GLN   9  -0.077 -12.783 -13.631
   72   1HG   GLN   9          2HG       GLN   9   1.770 -11.598 -14.679
   73   2HG   GLN   9          3HG       GLN   9   1.589 -10.229 -13.600
   74   1HE2  GLN   9          1HE2      GLN   9   2.426 -13.643 -13.806
   75   2HE2  GLN   9          2HE2      GLN   9   3.433 -13.726 -12.399
   76    H    ILE  10           HN       ILE  10  -0.293  -8.433 -14.756
   77    HA   ILE  10           HA       ILE  10   0.551  -9.192 -17.463
   78    HB   ILE  10           HB       ILE  10   0.276  -6.422 -17.336
   79   1HG1  ILE  10          2HG1      ILE  10  -2.013  -7.775 -15.880
   80   2HG1  ILE  10          3HG1      ILE  10  -0.909  -6.587 -15.215
   81   1HG2  ILE  10          1HG2      ILE  10  -0.392  -7.221 -19.330
   82   2HG2  ILE  10          2HG2      ILE  10  -1.045  -8.724 -18.635
   83   3HG2  ILE  10          3HG2      ILE  10  -2.001  -7.223 -18.569
   84   1HD1  ILE  10          1HD1      ILE  10  -3.317  -6.161 -16.790
   85   2HD1  ILE  10          2HD1      ILE  10  -2.323  -4.967 -15.922
   86   3HD1  ILE  10          3HD1      ILE  10  -1.919  -5.413 -17.597
   87    H    ARG  11           HN       ARG  11   2.435  -9.937 -15.774
   88    HA   ARG  11           HA       ARG  11   4.135  -7.707 -15.193
   89   1HB   ARG  11          2HB       ARG  11   3.793  -9.851 -13.735
   90   2HB   ARG  11          3HB       ARG  11   4.842 -10.657 -14.884
   91   1HG   ARG  11          2HG       ARG  11   6.083  -8.151 -14.152
   92   2HG   ARG  11          3HG       ARG  11   5.586  -8.957 -12.678
   93   1HD   ARG  11          2HD       ARG  11   7.066 -10.482 -14.855
   94   2HD   ARG  11          3HD       ARG  11   7.944  -9.527 -13.677
   95    HE   ARG  11           HE       ARG  11   5.974 -11.384 -12.515
   96   1HH1  ARG  11          2HH2      ARG  11   9.317 -10.911 -13.507
   97   2HH1  ARG  11          1HH2      ARG  11   9.930 -12.179 -12.499
   98   1HH2  ARG  11          2HH1      ARG  11   6.782 -13.058 -11.185
   99   2HH2  ARG  11          1HH1      ARG  11   8.478 -13.408 -11.169
  100    H    SER  12           HN       SER  12   3.582  -8.064 -17.995
  101    HA   SER  12           HA       SER  12   5.947  -9.373 -19.018
  102   1HB   SER  12          2HB       SER  12   4.897  -9.244 -21.183
  103   2HB   SER  12          3HB       SER  12   3.665  -9.755 -20.046
  104    HG   SER  12           HG       SER  12   4.063  -7.029 -20.948
  105    H    ILE  13           HN       ILE  13   7.785  -8.133 -19.115
  106    HA   ILE  13           HA       ILE  13   7.492  -5.420 -20.156
  107    HB   ILE  13           HB       ILE  13   7.549  -5.071 -17.813
  108   1HG1  ILE  13          2HG1      ILE  13  10.209  -4.283 -17.784
  109   2HG1  ILE  13          3HG1      ILE  13   9.830  -4.323 -19.494
  110   1HG2  ILE  13          1HG2      ILE  13   8.704  -7.462 -17.524
  111   2HG2  ILE  13          2HG2      ILE  13  10.154  -6.441 -17.367
  112   3HG2  ILE  13          3HG2      ILE  13   8.773  -6.200 -16.270
  113   1HD1  ILE  13          1HD1      ILE  13   9.315  -2.146 -18.079
  114   2HD1  ILE  13          2HD1      ILE  13   8.155  -2.690 -19.314
  115   3HD1  ILE  13          3HD1      ILE  13   7.856  -3.043 -17.595
  116    H    SER  14           HN       SER  14   9.752  -8.077 -19.166
  117    HA   SER  14           HA       SER  14  11.713  -7.154 -20.991
  118   1HB   SER  14          2HB       SER  14  11.407  -9.535 -19.157
  119   2HB   SER  14          3HB       SER  14  12.652  -9.576 -20.390
  120    HG   SER  14           HG       SER  14  13.756  -7.943 -19.418
  121    H    ASP  15           HN       ASP  15  12.696  -9.009 -22.554
  122    HA   ASP  15           HA       ASP  15  12.463 -10.172 -24.367
  123   1HB   ASP  15          2HB       ASP  15  10.456 -11.285 -22.568
  124   2HB   ASP  15          3HB       ASP  15   9.870 -11.373 -24.217
  125    HD2  ASP  15           HD2      ASP  15  10.683 -14.118 -23.331
  126    H    LEU  16           HN       LEU  16  11.096  -7.424 -23.921
  127    HA   LEU  16           HA       LEU  16   8.720  -7.060 -25.081
  128   1HB   LEU  16          2HB       LEU  16  11.187  -5.528 -24.821
  129   2HB   LEU  16          3HB       LEU  16  10.255  -5.057 -26.228
  130    HG   LEU  16           HG       LEU  16   8.948  -5.276 -23.521
  131   1HD1  LEU  16          1HD1      LEU  16   9.620  -3.199 -22.825
  132   2HD1  LEU  16          2HD1      LEU  16  11.097  -3.757 -23.647
  133   3HD1  LEU  16          3HD1      LEU  16   9.987  -2.636 -24.473
  134   1HD2  LEU  16          1HD2      LEU  16   7.246  -4.974 -25.001
  135   2HD2  LEU  16          2HD2      LEU  16   7.683  -3.271 -24.727
  136   3HD2  LEU  16          3HD2      LEU  16   8.266  -4.116 -26.181
  137    H    HIS  17           HN       HIS  17  11.830  -7.261 -26.958
  138    HA   HIS  17           HA       HIS  17  10.181  -7.957 -29.272
  139   1HB   HIS  17          2HB       HIS  17  12.484  -6.222 -28.889
  140   2HB   HIS  17          3HB       HIS  17  12.794  -7.415 -30.134
  141    HD1  HIS  17           HD1      HIS  17  11.407  -7.269 -32.333
  142    HD2  HIS  17           HD2      HIS  17  10.449  -4.331 -29.496
  143    HE1  HIS  17           HE1      HIS  17   9.976  -5.541 -33.548
  144    H    GLN  18           HN       GLN  18  10.850  -9.817 -27.085
  145    HA   GLN  18           HA       GLN  18  12.377 -11.686 -28.709
  146   1HB   GLN  18          2HB       GLN  18  13.189 -10.586 -26.183
  147   2HB   GLN  18          3HB       GLN  18  12.792 -12.272 -25.911
  148   1HG   GLN  18          2HG       GLN  18  15.003 -12.505 -26.591
  149   2HG   GLN  18          3HG       GLN  18  14.208 -12.649 -28.146
  150   1HE2  GLN  18          1HE2      GLN  18  15.644 -10.307 -25.907
  151   2HE2  GLN  18          2HE2      GLN  18  16.267  -9.210 -27.094
  152    H    THR  19           HN       THR  19  11.302 -13.598 -29.032
  153    HA   THR  19           HA       THR  19   8.722 -14.030 -28.406
  154    HB   THR  19           HB       THR  19   9.246 -16.423 -28.868
  155    HG1  THR  19           HG1      THR  19  11.985 -15.408 -28.592
  156   1HG2  THR  19          1HG2      THR  19   9.956 -16.069 -31.033
  157   2HG2  THR  19          2HG2      THR  19   9.847 -14.344 -30.610
  158   3HG2  THR  19          3HG2      THR  19  11.409 -15.189 -30.501
  159    H    LEU  20           HN       LEU  20   7.504 -14.278 -26.647
  160    HA   LEU  20           HA       LEU  20   6.892 -15.020 -24.631
  161   1HB   LEU  20          2HB       LEU  20   9.043 -16.677 -25.139
  162   2HB   LEU  20          3HB       LEU  20   9.474 -15.934 -23.611
  163    HG   LEU  20           HG       LEU  20   8.331 -18.040 -23.246
  164   1HD1  LEU  20          1HD1      LEU  20   7.939 -15.895 -21.801
  165   2HD1  LEU  20          2HD1      LEU  20   6.280 -16.007 -22.438
  166   3HD1  LEU  20          3HD1      LEU  20   6.972 -17.362 -21.515
  167   1HD2  LEU  20          1HD2      LEU  20   6.260 -18.644 -24.080
  168   2HD2  LEU  20          2HD2      LEU  20   5.781 -16.962 -24.412
  169   3HD2  LEU  20          3HD2      LEU  20   6.980 -17.768 -25.452
  Start of MODEL    3
    1    H    LYS   1           HN       LYS   1   1.884   0.000   0.829
    2    HA   LYS   1           HA       LYS   1   1.535   0.633  -1.950
    3   1HB   LYS   1          2HB       LYS   1   3.400   1.393  -0.269
    4   2HB   LYS   1          3HB       LYS   1   4.152  -0.134  -0.685
    5   1HG   LYS   1          2HG       LYS   1   3.435   0.819  -3.189
    6   2HG   LYS   1          3HG       LYS   1   3.793   2.311  -2.343
    7   1HD   LYS   1          2HD       LYS   1   6.045   1.808  -2.102
    8   2HD   LYS   1          3HD       LYS   1   5.758   0.087  -1.937
    9   1HE   LYS   1          2HE       LYS   1   5.456  -0.192  -4.327
   10   2HE   LYS   1          3HE       LYS   1   5.357   1.538  -4.588
   11   1HZ   LYS   1          1HZ       LYS   1   7.685   1.549  -3.594
   12   2HZ   LYS   1          2HZ       LYS   1   7.706  -0.053  -3.911
   13   3HZ   LYS   1          3HZ       LYS   1   7.510   1.018  -5.128
   14    H    LYS   2           HN       LYS   2   1.814  -0.724  -3.720
   15    HA   LYS   2           HA       LYS   2   1.622  -3.544  -3.079
   16   1HB   LYS   2          2HB       LYS   2   0.359  -1.928  -4.920
   17   2HB   LYS   2          3HB       LYS   2   1.564  -2.730  -5.907
   18   1HG   LYS   2          2HG       LYS   2   0.032  -4.429  -6.002
   19   2HG   LYS   2          3HG       LYS   2   0.667  -4.862  -4.427
   20   1HD   LYS   2          2HD       LYS   2  -1.352  -4.459  -3.484
   21   2HD   LYS   2          3HD       LYS   2  -1.275  -2.787  -4.003
   22   1HE   LYS   2          2HE       LYS   2  -2.267  -3.366  -6.187
   23   2HE   LYS   2          3HE       LYS   2  -2.223  -5.074  -5.794
   24   1HZ   LYS   2          1HZ       LYS   2  -3.684  -3.139  -4.147
   25   2HZ   LYS   2          2HZ       LYS   2  -4.374  -3.906  -5.413
   26   3HZ   LYS   2          3HZ       LYS   2  -3.822  -4.766  -4.139
   27    H    ALA   3           HN       ALA   3   2.916  -5.124  -4.449
   28    HA   ALA   3           HA       ALA   3   5.679  -4.360  -4.248
   29   1HB   ALA   3          1HB       ALA   3   4.660  -6.957  -5.401
   30   2HB   ALA   3          2HB       ALA   3   6.105  -6.653  -4.407
   31   3HB   ALA   3          3HB       ALA   3   4.489  -6.627  -3.661
   32    H    VAL   4           HN       VAL   4   7.133  -5.236  -6.201
   33    HA   VAL   4           HA       VAL   4   6.305  -3.657  -8.452
   34    HB   VAL   4           HB       VAL   4   8.767  -5.369  -8.081
   35   1HG1  VAL   4          1HG1      VAL   4   7.829  -3.491 -10.152
   36   2HG1  VAL   4          2HG1      VAL   4   9.488  -3.190  -9.581
   37   3HG1  VAL   4          3HG1      VAL   4   9.049  -4.785 -10.239
   38   1HG2  VAL   4          1HG2      VAL   4   8.637  -3.858  -6.200
   39   2HG2  VAL   4          2HG2      VAL   4   9.873  -3.260  -7.333
   40   3HG2  VAL   4          3HG2      VAL   4   8.271  -2.486  -7.273
   41    H    ILE   5           HN       ILE   5   6.145  -4.462 -10.659
   42    HA   ILE   5           HA       ILE   5   5.954  -7.317 -10.997
   43    HB   ILE   5           HB       ILE   5   3.504  -5.766 -11.722
   44   1HG1  ILE   5          2HG1      ILE   5   3.972  -7.015  -8.998
   45   2HG1  ILE   5          3HG1      ILE   5   3.935  -5.293  -9.320
   46   1HG2  ILE   5          1HG2      ILE   5   2.803  -7.756 -12.399
   47   2HG2  ILE   5          2HG2      ILE   5   4.390  -8.441 -11.975
   48   3HG2  ILE   5          3HG2      ILE   5   3.073  -8.439 -10.777
   49   1HD1  ILE   5          1HD1      ILE   5   1.596  -5.596 -10.285
   50   2HD1  ILE   5          2HD1      ILE   5   1.652  -7.277  -9.703
   51   3HD1  ILE   5          3HD1      ILE   5   1.732  -5.931  -8.542
   52    H    ASN   6           HN       ASN   6   6.691  -7.847 -12.999
   53    HA   ASN   6           HA       ASN   6   6.699  -5.670 -14.940
   54   1HB   ASN   6          2HB       ASN   6   8.927  -7.103 -13.810
   55   2HB   ASN   6          3HB       ASN   6   8.786  -7.631 -15.475
   56   1HD2  ASN   6          1HD2      ASN   6  10.987  -6.393 -15.037
   57   2HD2  ASN   6          2HD2      ASN   6  11.015  -4.752 -15.592
   58    H    GLY   7           HN       GLY   7   5.791  -6.249 -16.947
   59   1HA   GLY   7          1HA       GLY   7   5.953  -8.535 -18.352
   60   2HA   GLY   7          2HA       GLY   7   4.685  -8.913 -17.203
   61    H    GLU   8           HN       GLU   8   3.123  -6.763 -16.891
   62    HA   GLU   8           HA       GLU   8   2.273  -6.222 -19.619
   63   1HB   GLU   8          2HB       GLU   8   0.832  -7.293 -17.566
   64   2HB   GLU   8          3HB       GLU   8   0.471  -5.597 -17.314
   65   1HG   GLU   8          2HG       GLU   8  -0.281  -5.382 -19.675
   66   2HG   GLU   8          3HG       GLU   8   0.136  -7.057 -19.978
   67    HE2  GLU   8           HE2      GLU   8  -2.655  -5.244 -18.729
   68    H    GLN   9           HN       GLN   9   1.328  -4.018 -20.064
   69    HA   GLN   9           HA       GLN   9   1.746  -1.932 -18.271
   70   1HB   GLN   9          2HB       GLN   9   4.040  -1.838 -18.528
   71   2HB   GLN   9          3HB       GLN   9   4.009  -2.587 -20.112
   72   1HG   GLN   9          2HG       GLN   9   3.137  -0.478 -21.112
   73   2HG   GLN   9          3HG       GLN   9   3.107   0.274 -19.530
   74   1HE2  GLN   9          1HE2      GLN   9   5.063   0.653 -18.409
   75   2HE2  GLN   9          2HE2      GLN   9   6.572   0.829 -19.241
   76    H    ILE  10           HN       ILE  10   0.295  -0.371 -18.876
   77    HA   ILE  10           HA       ILE  10  -0.545  -0.414 -21.688
   78    HB   ILE  10           HB       ILE  10  -2.474   0.951 -20.262
   79   1HG1  ILE  10          2HG1      ILE  10  -3.050  -0.705 -18.430
   80   2HG1  ILE  10          3HG1      ILE  10  -1.423  -1.339 -18.583
   81   1HG2  ILE  10          1HG2      ILE  10  -3.525  -1.546 -20.441
   82   2HG2  ILE  10          2HG2      ILE  10  -3.404  -0.402 -21.798
   83   3HG2  ILE  10          3HG2      ILE  10  -2.171  -1.669 -21.590
   84   1HD1  ILE  10          1HD1      ILE  10  -2.300   1.009 -17.157
   85   2HD1  ILE  10          2HD1      ILE  10  -0.662   0.319 -17.248
   86   3HD1  ILE  10          3HD1      ILE  10  -1.191   1.519 -18.452
   87    H    ARG  11           HN       ARG  11   1.768   0.871 -21.486
   88    HA   ARG  11           HA       ARG  11   1.269   3.597 -20.762
   89   1HB   ARG  11          2HB       ARG  11   3.532   2.000 -20.727
   90   2HB   ARG  11          3HB       ARG  11   3.793   2.906 -22.204
   91   1HG   ARG  11          2HG       ARG  11   2.874   4.519 -19.858
   92   2HG   ARG  11          3HG       ARG  11   4.474   3.821 -19.708
   93   1HD   ARG  11          2HD       ARG  11   4.504   4.817 -22.319
   94   2HD   ARG  11          3HD       ARG  11   3.537   6.010 -21.475
   95    HE   ARG  11           HE       ARG  11   5.639   5.691 -19.747
   96   1HH1  ARG  11          2HH2      ARG  11   5.512   6.246 -23.220
   97   2HH1  ARG  11          1HH2      ARG  11   7.024   7.090 -23.269
   98   1HH2  ARG  11          2HH1      ARG  11   7.633   6.805 -19.812
   99   2HH2  ARG  11          1HH1      ARG  11   8.239   7.410 -21.317
  100    H    SER  12           HN       SER  12  -0.400   2.625 -22.895
  101    HA   SER  12           HA       SER  12   0.795   3.405 -25.356
  102   1HB   SER  12          2HB       SER  12  -1.394   2.875 -26.331
  103   2HB   SER  12          3HB       SER  12  -0.907   1.602 -25.230
  104    HG   SER  12           HG       SER  12  -2.232   2.903 -23.573
  105    H    ILE  13           HN       ILE  13   1.174   5.564 -25.739
  106    HA   ILE  13           HA       ILE  13   0.194   7.684 -24.410
  107    HB   ILE  13           HB       ILE  13   0.947   7.431 -27.318
  108   1HG1  ILE  13          2HG1      ILE  13   2.813   8.876 -25.691
  109   2HG1  ILE  13          3HG1      ILE  13   2.442   7.361 -24.892
  110   1HG2  ILE  13          1HG2      ILE  13  -0.530   9.437 -26.764
  111   2HG2  ILE  13          2HG2      ILE  13   0.831  10.024 -25.778
  112   3HG2  ILE  13          3HG2      ILE  13   1.044   9.768 -27.527
  113   1HD1  ILE  13          1HD1      ILE  13   2.832   6.196 -27.145
  114   2HD1  ILE  13          2HD1      ILE  13   3.470   7.750 -27.733
  115   3HD1  ILE  13          3HD1      ILE  13   4.275   6.910 -26.387
  116    H    SER  14           HN       SER  14  -1.179   6.574 -27.592
  117    HA   SER  14           HA       SER  14  -3.278   8.167 -27.756
  118   1HB   SER  14          2HB       SER  14  -2.679   5.413 -28.616
  119   2HB   SER  14          3HB       SER  14  -4.401   5.692 -28.454
  120    HG   SER  14           HG       SER  14  -2.549   7.283 -30.017
  121    H    ASP  15           HN       ASP  15  -5.004   8.708 -26.470
  122    HA   ASP  15           HA       ASP  15  -5.536   6.981 -24.227
  123   1HB   ASP  15          2HB       ASP  15  -5.740   9.822 -24.819
  124   2HB   ASP  15          3HB       ASP  15  -7.301   9.241 -24.275
  125    HD2  ASP  15           HD2      ASP  15  -6.087  10.796 -21.989
  126    H    LEU  16           HN       LEU  16  -6.323   6.445 -27.172
  127    HA   LEU  16           HA       LEU  16  -8.863   6.908 -27.848
  128   1HB   LEU  16          2HB       LEU  16  -6.994   4.649 -28.209
  129   2HB   LEU  16          3HB       LEU  16  -8.681   4.285 -28.512
  130    HG   LEU  16           HG       LEU  16  -7.455   6.711 -29.788
  131   1HD1  LEU  16          1HD1      LEU  16  -5.804   5.234 -30.460
  132   2HD1  LEU  16          2HD1      LEU  16  -6.918   3.847 -30.522
  133   3HD1  LEU  16          3HD1      LEU  16  -6.993   5.105 -31.779
  134   1HD2  LEU  16          1HD2      LEU  16  -9.094   5.488 -31.613
  135   2HD2  LEU  16          2HD2      LEU  16  -9.889   5.093 -30.070
  136   3HD2  LEU  16          3HD2      LEU  16  -9.574   6.792 -30.499
  137    H    HIS  17           HN       HIS  17  -7.857   4.152 -25.698
  138    HA   HIS  17           HA       HIS  17 -10.617   4.135 -24.728
  139   1HB   HIS  17          2HB       HIS  17  -8.727   2.047 -25.457
  140   2HB   HIS  17          3HB       HIS  17  -9.310   1.826 -23.819
  141    HD1  HIS  17           HD1      HIS  17 -10.225   1.223 -27.297
  142    HD2  HIS  17           HD2      HIS  17 -12.290   1.785 -23.689
  143    HE1  HIS  17           HE1      HIS  17 -12.588   0.340 -27.681
  144    H    GLN  18           HN       GLN  18  -8.578   6.104 -23.918
  145    HA   GLN  18           HA       GLN  18  -8.520   5.362 -21.107
  146   1HB   GLN  18          2HB       GLN  18  -6.227   5.740 -22.811
  147   2HB   GLN  18          3HB       GLN  18  -6.268   7.067 -21.667
  148   1HG   GLN  18          2HG       GLN  18  -6.889   4.888 -20.046
  149   2HG   GLN  18          3HG       GLN  18  -5.767   4.180 -21.191
  150   1HE2  GLN  18          1HE2      GLN  18  -3.651   4.790 -21.239
  151   2HE2  GLN  18          2HE2      GLN  18  -2.897   5.792 -20.044
  152    H    THR  19           HN       THR  19  -9.913   6.766 -20.127
  153    HA   THR  19           HA       THR  19 -10.996   9.019 -21.123
  154    HB   THR  19           HB       THR  19 -11.568   7.820 -18.968
  155    HG1  THR  19           HG1      THR  19 -12.172  10.112 -19.578
  156   1HG2  THR  19          1HG2      THR  19  -8.958   8.165 -18.219
  157   2HG2  THR  19          2HG2      THR  19  -9.672   9.630 -17.504
  158   3HG2  THR  19          3HG2      THR  19 -10.284   8.024 -17.040
  159    H    LEU  20           HN       LEU  20 -10.579  11.189 -21.338
  160    HA   LEU  20           HA       LEU  20  -7.863  11.885 -21.610
  161   1HB   LEU  20          2HB       LEU  20 -10.222  12.784 -22.607
  162   2HB   LEU  20          3HB       LEU  20  -9.881  14.032 -21.425
  163    HG   LEU  20           HG       LEU  20  -9.052  14.686 -23.601
  164   1HD1  LEU  20          1HD1      LEU  20  -7.800  15.470 -21.677
  165   2HD1  LEU  20          2HD1      LEU  20  -6.796  14.000 -21.697
  166   3HD1  LEU  20          3HD1      LEU  20  -6.700  15.163 -23.042
  167   1HD2  LEU  20          1HD2      LEU  20  -8.004  11.935 -23.644
  168   2HD2  LEU  20          2HD2      LEU  20  -8.501  13.004 -24.977
  169   3HD2  LEU  20          3HD2      LEU  20  -6.881  13.171 -24.259
  Start of MODEL    4
    1    H    LYS   1           HN       LYS   1   1.884   0.000   0.829
    2    HA   LYS   1           HA       LYS   1   2.107  -1.028  -1.606
    3   1HB   LYS   1          2HB       LYS   1   0.624   1.488  -1.828
    4   2HB   LYS   1          3HB       LYS   1   2.061   1.465  -2.829
    5   1HG   LYS   1          2HG       LYS   1   1.364  -0.669  -3.860
    6   2HG   LYS   1          3HG       LYS   1  -0.014  -0.777  -2.783
    7   1HD   LYS   1          2HD       LYS   1  -1.104   0.199  -4.565
    8   2HD   LYS   1          3HD       LYS   1  -0.523   1.674  -3.819
    9   1HE   LYS   1          2HE       LYS   1   0.716   2.150  -5.657
   10   2HE   LYS   1          3HE       LYS   1   1.602   0.649  -5.477
   11   1HZ   LYS   1          1HZ       LYS   1  -0.127   1.234  -7.461
   12   2HZ   LYS   1          2HZ       LYS   1   0.438  -0.256  -7.105
   13   3HZ   LYS   1          3HZ       LYS   1  -1.002   0.235  -6.512
   14    H    LYS   2           HN       LYS   2   4.036  -1.405  -0.303
   15    HA   LYS   2           HA       LYS   2   5.835   0.916  -0.295
   16   1HB   LYS   2          2HB       LYS   2   5.198  -0.192   1.913
   17   2HB   LYS   2          3HB       LYS   2   6.110  -1.590   1.379
   18   1HG   LYS   2          2HG       LYS   2   8.117  -0.575   1.772
   19   2HG   LYS   2          3HG       LYS   2   7.618   0.914   0.994
   20   1HD   LYS   2          2HD       LYS   2   7.632   1.796   3.101
   21   2HD   LYS   2          3HD       LYS   2   6.084   0.996   3.288
   22   1HE   LYS   2          2HE       LYS   2   7.584  -1.107   3.959
   23   2HE   LYS   2          3HE       LYS   2   8.805   0.109   4.275
   24   1HZ   LYS   2          1HZ       LYS   2   6.880   1.228   5.548
   25   2HZ   LYS   2          2HZ       LYS   2   6.242  -0.274   5.589
   26   3HZ   LYS   2          3HZ       LYS   2   7.710   0.008   6.247
   27    H    ALA   3           HN       ALA   3   7.641   0.877  -1.557
   28    HA   ALA   3           HA       ALA   3   8.836  -1.577  -2.354
   29   1HB   ALA   3          1HB       ALA   3   8.361  -1.458  -4.728
   30   2HB   ALA   3          2HB       ALA   3   6.813  -1.477  -3.850
   31   3HB   ALA   3          3HB       ALA   3   7.441   0.050  -4.515
   32    H    VAL   4           HN       VAL   4  10.625  -1.007  -4.105
   33    HA   VAL   4           HA       VAL   4  11.714   1.599  -3.296
   34    HB   VAL   4           HB       VAL   4  12.882  -0.490  -2.542
   35   1HG1  VAL   4          1HG1      VAL   4  14.083  -1.861  -4.073
   36   2HG1  VAL   4          2HG1      VAL   4  12.423  -1.738  -4.704
   37   3HG1  VAL   4          3HG1      VAL   4  13.727  -0.775  -5.438
   38   1HG2  VAL   4          1HG2      VAL   4  14.960   0.500  -2.687
   39   2HG2  VAL   4          2HG2      VAL   4  14.737   0.982  -4.386
   40   3HG2  VAL   4          3HG2      VAL   4  13.909   1.879  -3.090
   41    H    ILE   5           HN       ILE   5  13.453   2.326  -5.083
   42    HA   ILE   5           HA       ILE   5  12.583   1.685  -7.754
   43    HB   ILE   5           HB       ILE   5  12.445   4.577  -7.011
   44   1HG1  ILE   5          2HG1      ILE   5  10.118   2.649  -6.748
   45   2HG1  ILE   5          3HG1      ILE   5  10.973   3.380  -5.404
   46   1HG2  ILE   5          1HG2      ILE   5  12.433   4.259  -9.323
   47   2HG2  ILE   5          2HG2      ILE   5  11.391   2.819  -9.220
   48   3HG2  ILE   5          3HG2      ILE   5  10.711   4.434  -8.907
   49   1HD1  ILE   5          1HD1      ILE   5   9.110   4.809  -5.722
   50   2HD1  ILE   5          2HD1      ILE   5  10.431   5.666  -6.552
   51   3HD1  ILE   5          3HD1      ILE   5   9.242   4.736  -7.495
   52    H    ASN   6           HN       ASN   6  14.325   1.706  -9.095
   53    HA   ASN   6           HA       ASN   6  16.624   3.215  -8.126
   54   1HB   ASN   6          2HB       ASN   6  16.377   0.383  -8.592
   55   2HB   ASN   6          3HB       ASN   6  17.405   1.011  -9.865
   56   1HD2  ASN   6          1HD2      ASN   6  17.610  -0.487  -7.110
   57   2HD2  ASN   6          2HD2      ASN   6  19.013   0.211  -6.372
   58    H    GLY   7           HN       GLY   7  17.505   4.618  -9.689
   59   1HA   GLY   7          1HA       GLY   7  17.857   5.633 -11.664
   60   2HA   GLY   7          2HA       GLY   7  17.486   4.117 -12.462
   61    H    GLU   8           HN       GLU   8  15.923   6.951 -10.835
   62    HA   GLU   8           HA       GLU   8  13.643   6.488 -12.593
   63   1HB   GLU   8          2HB       GLU   8  13.548   6.576  -9.893
   64   2HB   GLU   8          3HB       GLU   8  13.410   8.295 -10.206
   65   1HG   GLU   8          2HG       GLU   8  11.629   7.295 -12.062
   66   2HG   GLU   8          3HG       GLU   8  11.475   6.101 -10.789
   67    HE2  GLU   8           HE2      GLU   8   9.485   6.859 -10.319
   68    H    GLN   9           HN       GLN   9  12.486   8.560 -13.306
   69    HA   GLN   9           HA       GLN   9  13.820  10.996 -13.136
   70   1HB   GLN   9          2HB       GLN   9  15.502  10.464 -14.626
   71   2HB   GLN   9          3HB       GLN   9  14.559   9.223 -15.427
   72   1HG   GLN   9          2HG       GLN   9  13.305  10.851 -16.700
   73   2HG   GLN   9          3HG       GLN   9  13.875  12.178 -15.707
   74   1HE2  GLN   9          1HE2      GLN   9  14.725   9.803 -18.133
   75   2HE2  GLN   9          2HE2      GLN   9  16.157  10.569 -18.737
   76    H    ILE  10           HN       ILE  10  12.242  12.522 -13.431
   77    HA   ILE  10           HA       ILE  10   9.893  11.666 -14.970
   78    HB   ILE  10           HB       ILE  10   9.148  13.852 -13.459
   79   1HG1  ILE  10          2HG1      ILE  10   9.835  13.141 -11.124
   80   2HG1  ILE  10          3HG1      ILE  10  11.070  12.142 -11.863
   81   1HG2  ILE  10          1HG2      ILE  10   8.658  10.958 -13.532
   82   2HG2  ILE  10          2HG2      ILE  10   8.330  11.712 -11.953
   83   3HG2  ILE  10          3HG2      ILE  10   7.518  12.321 -13.415
   84   1HD1  ILE  10          1HD1      ILE  10  11.279  14.689 -13.127
   85   2HD1  ILE  10          2HD1      ILE  10  11.098  15.002 -11.384
   86   3HD1  ILE  10          3HD1      ILE  10  12.415  13.957 -11.969
   87    H    ARG  11           HN       ARG  11  11.827  12.375 -16.643
   88    HA   ARG  11           HA       ARG  11  11.764  15.216 -17.003
   89   1HB   ARG  11          2HB       ARG  11  13.792  13.603 -17.411
   90   2HB   ARG  11          3HB       ARG  11  12.994  13.186 -18.915
   91   1HG   ARG  11          2HG       ARG  11  12.967  15.619 -19.555
   92   2HG   ARG  11          3HG       ARG  11  13.811  16.007 -18.069
   93   1HD   ARG  11          2HD       ARG  11  15.379  13.956 -19.188
   94   2HD   ARG  11          3HD       ARG  11  14.877  14.889 -20.584
   95    HE   ARG  11           HE       ARG  11  15.656  16.853 -18.814
   96   1HH1  ARG  11          2HH2      ARG  11  17.218  13.926 -19.987
   97   2HH1  ARG  11          1HH2      ARG  11  18.820  14.564 -19.826
   98   1HH2  ARG  11          2HH1      ARG  11  17.769  17.695 -18.601
   99   2HH2  ARG  11          1HH1      ARG  11  19.136  16.722 -19.032
  100    H    SER  12           HN       SER  12   9.188  13.950 -17.205
  101    HA   SER  12           HA       SER  12   8.421  14.921 -19.721
  102   1HB   SER  12          2HB       SER  12   9.113  12.872 -20.700
  103   2HB   SER  12          3HB       SER  12   8.574  11.922 -19.330
  104    HG   SER  12           HG       SER  12   7.067  13.012 -21.490
  105    H    ILE  13           HN       ILE  13   5.986  14.808 -19.970
  106    HA   ILE  13           HA       ILE  13   4.710  15.426 -17.604
  107    HB   ILE  13           HB       ILE  13   3.562  14.486 -20.234
  108   1HG1  ILE  13          2HG1      ILE  13   3.671  17.352 -19.382
  109   2HG1  ILE  13          3HG1      ILE  13   5.145  16.608 -19.968
  110   1HG2  ILE  13          1HG2      ILE  13   1.978  16.313 -18.562
  111   2HG2  ILE  13          2HG2      ILE  13   1.484  14.884 -19.501
  112   3HG2  ILE  13          3HG2      ILE  13   2.188  14.684 -17.878
  113   1HD1  ILE  13          1HD1      ILE  13   3.052  15.789 -21.746
  114   2HD1  ILE  13          2HD1      ILE  13   2.878  17.542 -21.492
  115   3HD1  ILE  13          3HD1      ILE  13   4.417  16.878 -22.091
  116    H    SER  14           HN       SER  14   4.258  14.180 -15.877
  117    HA   SER  14           HA       SER  14   3.498  11.426 -16.459
  118   1HB   SER  14          2HB       SER  14   5.822  11.646 -15.461
  119   2HB   SER  14          3HB       SER  14   5.096  12.354 -14.032
  120    HG   SER  14           HG       SER  14   5.027  10.291 -13.400
  121    H    ASP  15           HN       ASP  15   2.329  10.453 -14.371
  122    HA   ASP  15           HA       ASP  15   0.497  12.538 -13.488
  123   1HB   ASP  15          2HB       ASP  15   0.129   9.854 -14.544
  124   2HB   ASP  15          3HB       ASP  15  -0.535   9.920 -12.923
  125    HD2  ASP  15           HD2      ASP  15  -0.731  11.713 -15.951
  126    H    LEU  16           HN       LEU  16   3.217  11.588 -12.360
  127    HA   LEU  16           HA       LEU  16   3.147   9.940 -10.261
  128   1HB   LEU  16          2HB       LEU  16   4.979  11.524 -11.189
  129   2HB   LEU  16          3HB       LEU  16   4.405  12.652  -9.976
  130    HG   LEU  16           HG       LEU  16   4.982   9.924  -8.978
  131   1HD1  LEU  16          1HD1      LEU  16   7.413  11.591  -9.374
  132   2HD1  LEU  16          2HD1      LEU  16   7.224   9.823  -9.310
  133   3HD1  LEU  16          3HD1      LEU  16   6.786  10.711 -10.789
  134   1HD2  LEU  16          1HD2      LEU  16   4.595  11.243  -7.192
  135   2HD2  LEU  16          2HD2      LEU  16   6.321  11.639  -7.376
  136   3HD2  LEU  16          3HD2      LEU  16   5.082  12.730  -8.041
  137    H    HIS  17           HN       HIS  17   2.213  13.450 -10.057
  138    HA   HIS  17           HA       HIS  17   0.717  12.728  -7.649
  139   1HB   HIS  17          2HB       HIS  17   2.441  14.962  -8.352
  140   2HB   HIS  17          3HB       HIS  17   0.863  15.522  -7.837
  141    HD1  HIS  17           HD1      HIS  17   0.420  15.575  -5.353
  142    HD2  HIS  17           HD2      HIS  17   3.751  13.226  -6.347
  143    HE1  HIS  17           HE1      HIS  17   1.514  14.915  -3.144
  144    H    GLN  18           HN       GLN  18  -0.189  12.181 -10.401
  145    HA   GLN  18           HA       GLN  18  -2.592  13.798 -10.256
  146   1HB   GLN  18          2HB       GLN  18  -0.608  13.900 -12.386
  147   2HB   GLN  18          3HB       GLN  18  -2.134  13.320 -13.024
  148   1HG   GLN  18          2HG       GLN  18  -2.537  15.594 -13.188
  149   2HG   GLN  18          3HG       GLN  18  -3.124  15.345 -11.555
  150   1HE2  GLN  18          1HE2      GLN  18  -2.575  17.757 -11.778
  151   2HE2  GLN  18          2HE2      GLN  18  -1.020  18.253 -11.196
  152    H    THR  19           HN       THR  19  -4.489  12.744 -11.282
  153    HA   THR  19           HA       THR  19  -4.081   9.842 -11.594
  154    HB   THR  19           HB       THR  19  -5.200  10.022  -9.517
  155    HG1  THR  19           HG1      THR  19  -6.456   8.915 -11.296
  156   1HG2  THR  19          1HG2      THR  19  -5.665  12.354  -9.234
  157   2HG2  THR  19          2HG2      THR  19  -6.551  12.446 -10.775
  158   3HG2  THR  19          3HG2      THR  19  -7.279  11.618  -9.377
  159    H    LEU  20           HN       LEU  20  -4.754   8.949 -13.450
  160    HA   LEU  20           HA       LEU  20  -5.785  10.675 -15.461
  161   1HB   LEU  20          2HB       LEU  20  -5.158   9.074 -16.886
  162   2HB   LEU  20          3HB       LEU  20  -4.230   8.514 -15.509
  163    HG   LEU  20           HG       LEU  20  -5.188   6.565 -16.288
  164   1HD1  LEU  20          1HD1      LEU  20  -6.115   5.838 -14.400
  165   2HD1  LEU  20          2HD1      LEU  20  -6.072   7.526 -13.835
  166   3HD1  LEU  20          3HD1      LEU  20  -7.542   6.882 -14.606
  167   1HD2  LEU  20          1HD2      LEU  20  -6.583   7.367 -18.024
  168   2HD2  LEU  20          2HD2      LEU  20  -7.623   6.397 -16.952
  169   3HD2  LEU  20          3HD2      LEU  20  -7.678   8.175 -16.875
  Start of MODEL    5
    1    H    LYS   1           HN       LYS   1   1.884   0.000   0.829
    2    HA   LYS   1           HA       LYS   1   1.367  -0.199  -2.051
    3   1HB   LYS   1          2HB       LYS   1   2.264   2.103  -0.804
    4   2HB   LYS   1          3HB       LYS   1   3.755   1.348  -1.331
    5   1HG   LYS   1          2HG       LYS   1   3.312   2.257  -3.373
    6   2HG   LYS   1          3HG       LYS   1   2.125   0.980  -3.552
    7   1HD   LYS   1          2HD       LYS   1   0.545   2.654  -2.212
    8   2HD   LYS   1          3HD       LYS   1   1.694   3.865  -2.742
    9   1HE   LYS   1          2HE       LYS   1   1.165   2.287  -5.048
   10   2HE   LYS   1          3HE       LYS   1  -0.394   2.511  -4.280
   11   1HZ   LYS   1          1HZ       LYS   1   0.202   4.910  -4.154
   12   2HZ   LYS   1          2HZ       LYS   1   1.480   4.601  -5.124
   13   3HZ   LYS   1          3HZ       LYS   1  -0.039   4.340  -5.666
   14    H    LYS   2           HN       LYS   2   2.078  -2.168  -2.665
   15    HA   LYS   2           HA       LYS   2   4.675  -3.005  -1.595
   16   1HB   LYS   2          2HB       LYS   2   3.876  -5.296  -1.398
   17   2HB   LYS   2          3HB       LYS   2   2.939  -4.223  -0.378
   18   1HG   LYS   2          2HG       LYS   2   1.766  -4.421  -3.065
   19   2HG   LYS   2          3HG       LYS   2   1.936  -6.004  -2.333
   20   1HD   LYS   2          2HD       LYS   2   0.726  -5.230  -0.307
   21   2HD   LYS   2          3HD       LYS   2   0.614  -3.611  -0.969
   22   1HE   LYS   2          2HE       LYS   2  -1.108  -4.164  -2.390
   23   2HE   LYS   2          3HE       LYS   2  -0.412  -5.720  -2.796
   24   1HZ   LYS   2          1HZ       LYS   2  -1.820  -5.087  -0.295
   25   2HZ   LYS   2          2HZ       LYS   2  -2.414  -5.975  -1.529
   26   3HZ   LYS   2          3HZ       LYS   2  -1.154  -6.534  -0.653
   27    H    ALA   3           HN       ALA   3   5.264  -1.826  -3.671
   28    HA   ALA   3           HA       ALA   3   5.829  -3.715  -5.647
   29   1HB   ALA   3          1HB       ALA   3   4.317  -3.270  -7.366
   30   2HB   ALA   3          2HB       ALA   3   3.261  -3.204  -5.935
   31   3HB   ALA   3          3HB       ALA   3   3.842  -1.697  -6.682
   32    H    VAL   4           HN       VAL   4   6.716  -2.467  -7.706
   33    HA   VAL   4           HA       VAL   4   8.233  -0.220  -6.618
   34    HB   VAL   4           HB       VAL   4   8.724  -1.734  -9.179
   35   1HG1  VAL   4          1HG1      VAL   4  10.175   0.299  -7.564
   36   2HG1  VAL   4          2HG1      VAL   4  11.157  -1.015  -8.255
   37   3HG1  VAL   4          3HG1      VAL   4  10.170   0.014  -9.321
   38   1HG2  VAL   4          1HG2      VAL   4   8.807  -3.510  -7.688
   39   2HG2  VAL   4          2HG2      VAL   4  10.492  -2.936  -7.669
   40   3HG2  VAL   4          3HG2      VAL   4   9.386  -2.497  -6.345
   41    H    ILE   5           HN       ILE   5   8.630   1.673  -8.060
   42    HA   ILE   5           HA       ILE   5   6.647   2.031 -10.145
   43    HB   ILE   5           HB       ILE   5   6.803   4.164  -8.061
   44   1HG1  ILE   5          2HG1      ILE   5   4.716   3.070  -7.040
   45   2HG1  ILE   5          3HG1      ILE   5   5.237   1.591  -7.820
   46   1HG2  ILE   5          1HG2      ILE   5   4.361   3.335  -9.589
   47   2HG2  ILE   5          2HG2      ILE   5   4.848   4.940  -8.992
   48   3HG2  ILE   5          3HG2      ILE   5   5.654   4.237 -10.415
   49   1HD1  ILE   5          1HD1      ILE   5   6.186   2.720  -5.358
   50   2HD1  ILE   5          2HD1      ILE   5   6.712   1.214  -6.148
   51   3HD1  ILE   5          3HD1      ILE   5   7.535   2.748  -6.519
   52    H    ASN   6           HN       ASN   6   7.573   3.037 -11.857
   53    HA   ASN   6           HA       ASN   6   9.988   4.559 -11.261
   54   1HB   ASN   6          2HB       ASN   6   9.649   2.240 -12.948
   55   2HB   ASN   6          3HB       ASN   6   9.960   3.603 -14.006
   56   1HD2  ASN   6          1HD2      ASN   6  11.275   1.294 -11.953
   57   2HD2  ASN   6          2HD2      ASN   6  12.896   1.888 -11.820
   58    H    GLY   7           HN       GLY   7   9.934   6.678 -12.081
   59   1HA   GLY   7          1HA       GLY   7   8.533   7.367 -14.469
   60   2HA   GLY   7          2HA       GLY   7   7.636   7.850 -13.043
   61    H    GLU   8           HN       GLU   8  10.730   8.211 -14.816
   62    HA   GLU   8           HA       GLU   8  11.544  10.310 -13.033
   63   1HB   GLU   8          2HB       GLU   8  13.103   8.562 -14.121
   64   2HB   GLU   8          3HB       GLU   8  12.906   9.455 -15.616
   65   1HG   GLU   8          2HG       GLU   8  14.583  10.820 -14.929
   66   2HG   GLU   8          3HG       GLU   8  13.487  11.454 -13.717
   67    HE2  GLU   8           HE2      GLU   8  15.466  10.339 -11.247
   68    H    GLN   9           HN       GLN   9  11.832  12.537 -13.663
   69    HA   GLN   9           HA       GLN   9  11.243  13.423 -16.234
   70   1HB   GLN   9          2HB       GLN   9   8.956  13.143 -16.076
   71   2HB   GLN   9          3HB       GLN   9   8.949  13.234 -14.326
   72   1HG   GLN   9          2HG       GLN   9   8.964  15.600 -14.307
   73   2HG   GLN   9          3HG       GLN   9   9.646  15.712 -15.918
   74   1HE2  GLN   9          1HE2      GLN   9   6.790  14.540 -14.160
   75   2HE2  GLN   9          2HE2      GLN   9   5.608  14.936 -15.362
   76    H    ILE  10           HN       ILE  10  12.317  15.351 -16.424
   77    HA   ILE  10           HA       ILE  10  12.848  16.783 -13.918
   78    HB   ILE  10           HB       ILE  10  14.612  17.687 -15.878
   79   1HG1  ILE  10          2HG1      ILE  10  14.362  14.667 -16.011
   80   2HG1  ILE  10          3HG1      ILE  10  14.012  15.791 -17.309
   81   1HG2  ILE  10          1HG2      ILE  10  15.185  17.507 -13.566
   82   2HG2  ILE  10          2HG2      ILE  10  14.944  15.744 -13.581
   83   3HG2  ILE  10          3HG2      ILE  10  16.297  16.465 -14.486
   84   1HD1  ILE  10          1HD1      ILE  10  16.683  15.033 -16.121
   85   2HD1  ILE  10          2HD1      ILE  10  16.207  15.171 -17.831
   86   3HD1  ILE  10          3HD1      ILE  10  16.493  16.639 -16.865
   87    H    ARG  11           HN       ARG  11  10.383  17.335 -14.674
   88    HA   ARG  11           HA       ARG  11  10.427  19.439 -16.617
   89   1HB   ARG  11          2HB       ARG  11   8.531  17.714 -16.332
   90   2HB   ARG  11          3HB       ARG  11   8.093  18.549 -14.855
   91   1HG   ARG  11          2HG       ARG  11   8.444  20.372 -17.168
   92   2HG   ARG  11          3HG       ARG  11   7.174  19.189 -17.408
   93   1HD   ARG  11          2HD       ARG  11   6.956  20.211 -14.706
   94   2HD   ARG  11          3HD       ARG  11   7.092  21.575 -15.798
   95    HE   ARG  11           HE       ARG  11   5.252  19.913 -17.056
   96   1HH1  ARG  11          2HH2      ARG  11   5.473  21.379 -13.864
   97   2HH1  ARG  11          1HH2      ARG  11   3.757  21.475 -13.649
   98   1HH2  ARG  11          2HH1      ARG  11   2.988  20.040 -16.772
   99   2HH2  ARG  11          1HH1      ARG  11   2.334  20.708 -15.314
  100    H    SER  12           HN       SER  12  12.064  19.943 -14.303
  101    HA   SER  12           HA       SER  12  10.588  22.197 -13.221
  102   1HB   SER  12          2HB       SER  12  10.835  20.081 -11.642
  103   2HB   SER  12          3HB       SER  12  12.482  20.647 -11.443
  104    HG   SER  12           HG       SER  12  10.034  22.031 -10.787
  105    H    ILE  13           HN       ILE  13  11.874  24.082 -12.907
  106    HA   ILE  13           HA       ILE  13  14.500  23.906 -14.154
  107    HB   ILE  13           HB       ILE  13  14.332  26.342 -14.297
  108   1HG1  ILE  13          2HG1      ILE  13  11.594  26.802 -13.751
  109   2HG1  ILE  13          3HG1      ILE  13  12.233  25.964 -12.352
  110   1HG2  ILE  13          1HG2      ILE  13  12.994  26.331 -16.154
  111   2HG2  ILE  13          2HG2      ILE  13  13.241  24.583 -15.932
  112   3HG2  ILE  13          3HG2      ILE  13  11.730  25.345 -15.381
  113   1HD1  ILE  13          1HD1      ILE  13  13.965  28.131 -13.480
  114   2HD1  ILE  13          2HD1      ILE  13  12.458  28.647 -12.687
  115   3HD1  ILE  13          3HD1      ILE  13  13.655  27.690 -11.783
  116    H    SER  14           HN       SER  14  15.515  22.794 -12.337
  117    HA   SER  14           HA       SER  14  16.329  24.740 -10.366
  118   1HB   SER  14          2HB       SER  14  14.467  23.507  -9.293
  119   2HB   SER  14          3HB       SER  14  15.248  21.979  -9.646
  120    HG   SER  14           HG       SER  14  15.615  23.583  -7.499
  121    H    ASP  15           HN       ASP  15  18.533  24.782 -10.597
  122    HA   ASP  15           HA       ASP  15  19.867  22.216 -10.708
  123   1HB   ASP  15          2HB       ASP  15  19.687  24.122 -12.895
  124   2HB   ASP  15          3HB       ASP  15  21.353  24.037 -12.357
  125    HD2  ASP  15           HD2      ASP  15  21.802  23.131 -14.315
  126    H    LEU  16           HN       LEU  16  19.346  24.568  -8.770
  127    HA   LEU  16           HA       LEU  16  21.333  26.317  -8.427
  128   1HB   LEU  16          2HB       LEU  16  19.274  25.749  -6.989
  129   2HB   LEU  16          3HB       LEU  16  20.341  24.666  -6.118
  130    HG   LEU  16           HG       LEU  16  21.844  26.898  -6.013
  131   1HD1  LEU  16          1HD1      LEU  16  19.211  27.806  -6.858
  132   2HD1  LEU  16          2HD1      LEU  16  19.715  28.540  -5.317
  133   3HD1  LEU  16          3HD1      LEU  16  20.753  28.689  -6.756
  134   1HD2  LEU  16          1HD2      LEU  16  21.492  26.743  -3.804
  135   2HD2  LEU  16          2HD2      LEU  16  19.728  26.917  -3.965
  136   3HD2  LEU  16          3HD2      LEU  16  20.494  25.333  -4.232
  137    H    HIS  17           HN       HIS  17  21.454  22.907  -7.167
  138    HA   HIS  17           HA       HIS  17  24.363  23.221  -7.108
  139   1HB   HIS  17          2HB       HIS  17  22.429  22.042  -5.283
  140   2HB   HIS  17          3HB       HIS  17  23.663  20.881  -5.730
  141    HD1  HIS  17           HD1      HIS  17  26.264  22.105  -5.593
  142    HD2  HIS  17           HD2      HIS  17  23.181  23.495  -3.110
  143    HE1  HIS  17           HE1      HIS  17  27.398  23.326  -3.661
  144    H    GLN  18           HN       GLN  18  22.786  22.740  -9.553
  145    HA   GLN  18           HA       GLN  18  24.029  20.208 -10.223
  146   1HB   GLN  18          2HB       GLN  18  21.176  20.669 -10.064
  147   2HB   GLN  18          3HB       GLN  18  21.605  20.386 -11.740
  148   1HG   GLN  18          2HG       GLN  18  21.559  18.170 -11.214
  149   2HG   GLN  18          3HG       GLN  18  23.109  18.443 -10.444
  150   1HE2  GLN  18          1HE2      GLN  18  20.807  16.634  -9.865
  151   2HE2  GLN  18          2HE2      GLN  18  20.404  16.883  -8.199
  152    H    THR  19           HN       THR  19  24.207  19.942 -12.689
  153    HA   THR  19           HA       THR  19  24.341  22.583 -13.984
  154    HB   THR  19           HB       THR  19  26.488  21.688 -15.043
  155    HG1  THR  19           HG1      THR  19  25.735  19.421 -14.376
  156   1HG2  THR  19          1HG2      THR  19  27.859  21.699 -12.854
  157   2HG2  THR  19          2HG2      THR  19  26.875  23.153 -13.147
  158   3HG2  THR  19          3HG2      THR  19  26.313  21.913 -11.999
  159    H    LEU  20           HN       LEU  20  23.709  22.710 -16.115
  160    HA   LEU  20           HA       LEU  20  22.583  22.141 -17.926
  161   1HB   LEU  20          2HB       LEU  20  24.715  20.453 -17.803
  162   2HB   LEU  20          3HB       LEU  20  23.395  19.308 -17.929
  163    HG   LEU  20           HG       LEU  20  22.622  20.790 -19.940
  164   1HD1  LEU  20          1HD1      LEU  20  24.711  21.690 -21.139
  165   2HD1  LEU  20          2HD1      LEU  20  24.011  22.664 -19.823
  166   3HD1  LEU  20          3HD1      LEU  20  25.469  21.688 -19.528
  167   1HD2  LEU  20          1HD2      LEU  20  23.160  18.878 -20.926
  168   2HD2  LEU  20          2HD2      LEU  20  24.824  19.484 -21.112
  169   3HD2  LEU  20          3HD2      LEU  20  24.381  18.523 -19.681
  Start of MODEL    6
    1    H    LYS   1           HN       LYS   1   1.884   0.000   0.829
    2    HA   LYS   1           HA       LYS   1   1.432   0.435  -2.012
    3   1HB   LYS   1          2HB       LYS   1   3.812   0.955  -2.093
    4   2HB   LYS   1          3HB       LYS   1   3.005   1.908  -0.864
    5   1HG   LYS   1          2HG       LYS   1   4.053  -0.690   0.131
    6   2HG   LYS   1          3HG       LYS   1   5.297   0.394  -0.459
    7   1HD   LYS   1          2HD       LYS   1   3.871   2.185   0.995
    8   2HD   LYS   1          3HD       LYS   1   3.424   0.735   1.870
    9   1HE   LYS   1          2HE       LYS   1   6.089   0.283   1.725
   10   2HE   LYS   1          3HE       LYS   1   6.129   2.030   1.591
   11   1HZ   LYS   1          1HZ       LYS   1   5.459   0.415   3.838
   12   2HZ   LYS   1          2HZ       LYS   1   5.986   1.960   3.787
   13   3HZ   LYS   1          3HZ       LYS   1   4.398   1.632   3.592
   14    H    LYS   2           HN       LYS   2   0.392  -1.891  -1.805
   15    HA   LYS   2           HA       LYS   2   2.525  -3.882  -2.058
   16   1HB   LYS   2          2HB       LYS   2  -0.287  -3.943  -1.091
   17   2HB   LYS   2          3HB       LYS   2   0.253  -5.344  -1.994
   18   1HG   LYS   2          2HG       LYS   2   2.056  -5.780  -0.462
   19   2HG   LYS   2          3HG       LYS   2   1.938  -4.188   0.260
   20   1HD   LYS   2          2HD       LYS   2  -0.079  -4.721   1.420
   21   2HD   LYS   2          3HD       LYS   2  -0.421  -6.095   0.386
   22   1HE   LYS   2          2HE       LYS   2   2.136  -6.615   1.546
   23   2HE   LYS   2          3HE       LYS   2   1.137  -6.003   2.850
   24   1HZ   LYS   2          1HZ       LYS   2  -0.447  -7.733   1.447
   25   2HZ   LYS   2          2HZ       LYS   2   0.998  -8.487   1.555
   26   3HZ   LYS   2          3HZ       LYS   2   0.231  -7.993   2.910
   27    H    ALA   3           HN       ALA   3   2.714  -5.166  -3.926
   28    HA   ALA   3           HA       ALA   3   0.898  -4.503  -6.118
   29   1HB   ALA   3          1HB       ALA   3   3.113  -4.498  -7.542
   30   2HB   ALA   3          2HB       ALA   3   2.614  -3.025  -6.678
   31   3HB   ALA   3          3HB       ALA   3   3.881  -4.072  -5.994
   32    H    VAL   4           HN       VAL   4   1.017  -6.136  -7.891
   33    HA   VAL   4           HA       VAL   4   1.856  -8.724  -6.783
   34    HB   VAL   4           HB       VAL   4  -0.502  -8.639  -6.984
   35   1HG1  VAL   4          1HG1      VAL   4  -1.625  -8.106  -9.167
   36   2HG1  VAL   4          2HG1      VAL   4  -0.816  -6.720  -8.396
   37   3HG1  VAL   4          3HG1      VAL   4  -0.050  -7.542  -9.777
   38   1HG2  VAL   4          1HG2      VAL   4   0.529 -10.071  -9.455
   39   2HG2  VAL   4          2HG2      VAL   4   0.623 -10.707  -7.795
   40   3HG2  VAL   4          3HG2      VAL   4  -0.963 -10.427  -8.552
   41    H    ILE   5           HN       ILE   5   2.453 -10.370  -8.542
   42    HA   ILE   5           HA       ILE   5   3.539  -9.133 -10.929
   43    HB   ILE   5           HB       ILE   5   5.408 -10.817  -9.322
   44   1HG1  ILE   5          2HG1      ILE   5   6.348  -8.603  -8.422
   45   2HG1  ILE   5          3HG1      ILE   5   4.785  -7.907  -8.800
   46   1HG2  ILE   5          1HG2      ILE   5   6.754 -10.348 -11.018
   47   2HG2  ILE   5          2HG2      ILE   5   5.471  -9.377 -11.780
   48   3HG2  ILE   5          3HG2      ILE   5   6.620  -8.611 -10.657
   49   1HD1  ILE   5          1HD1      ILE   5   4.352 -10.416  -7.426
   50   2HD1  ILE   5          2HD1      ILE   5   5.510  -9.436  -6.495
   51   3HD1  ILE   5          3HD1      ILE   5   3.910  -8.773  -6.903
   52    H    ASN   6           HN       ASN   6   3.164 -10.432 -12.652
   53    HA   ASN   6           HA       ASN   6   2.699 -13.242 -12.024
   54   1HB   ASN   6          2HB       ASN   6   0.919 -11.314 -13.228
   55   2HB   ASN   6          3HB       ASN   6   1.372 -12.447 -14.486
   56   1HD2  ASN   6          1HD2      ASN   6  -1.202 -12.214 -13.491
   57   2HD2  ASN   6          2HD2      ASN   6  -1.659 -13.667 -12.664
   58    H    GLY   7           HN       GLY   7   3.977 -14.656 -13.261
   59   1HA   GLY   7          1HA       GLY   7   5.803 -13.485 -15.193
   60   2HA   GLY   7          2HA       GLY   7   5.827 -15.111 -14.540
   61    H    GLU   8           HN       GLU   8   4.784 -16.804 -15.626
   62    HA   GLU   8           HA       GLU   8   3.564 -15.990 -18.144
   63   1HB   GLU   8          2HB       GLU   8   5.734 -17.493 -17.988
   64   2HB   GLU   8          3HB       GLU   8   4.607 -18.779 -17.603
   65   1HG   GLU   8          2HG       GLU   8   4.219 -19.027 -19.822
   66   2HG   GLU   8          3HG       GLU   8   3.441 -17.457 -19.819
   67    HE2  GLU   8           HE2      GLU   8   6.409 -19.059 -20.355
   68    H    GLN   9           HN       GLN   9   1.620 -17.095 -18.866
   69    HA   GLN   9           HA       GLN   9   0.417 -19.079 -17.331
   70   1HB   GLN   9          2HB       GLN   9  -0.256 -17.691 -15.612
   71   2HB   GLN   9          3HB       GLN   9  -0.235 -16.252 -16.611
   72   1HG   GLN   9          2HG       GLN   9  -2.352 -16.839 -17.656
   73   2HG   GLN   9          3HG       GLN   9  -2.324 -18.446 -16.958
   74   1HE2  GLN   9          1HE2      GLN   9  -2.768 -15.037 -16.371
   75   2HE2  GLN   9          2HE2      GLN   9  -3.535 -15.146 -14.822
   76    H    ILE  10           HN       ILE  10  -0.908 -20.155 -18.742
   77    HA   ILE  10           HA       ILE  10  -1.842 -18.617 -21.060
   78    HB   ILE  10           HB       ILE  10  -2.061 -21.338 -21.622
   79   1HG1  ILE  10          2HG1      ILE  10   0.529 -20.754 -20.161
   80   2HG1  ILE  10          3HG1      ILE  10  -0.688 -21.938 -19.726
   81   1HG2  ILE  10          1HG2      ILE  10  -0.793 -20.809 -23.443
   82   2HG2  ILE  10          2HG2      ILE  10  -1.266 -19.174 -22.926
   83   3HG2  ILE  10          3HG2      ILE  10   0.344 -19.808 -22.509
   84   1HD1  ILE  10          1HD1      ILE  10   0.963 -21.959 -22.295
   85   2HD1  ILE  10          2HD1      ILE  10   1.203 -23.024 -20.889
   86   3HD1  ILE  10          3HD1      ILE  10  -0.280 -23.157 -21.864
   87    H    ARG  11           HN       ARG  11  -3.401 -18.045 -19.011
   88    HA   ARG  11           HA       ARG  11  -5.416 -20.063 -18.749
   89   1HB   ARG  11          2HB       ARG  11  -4.481 -17.954 -17.128
   90   2HB   ARG  11          3HB       ARG  11  -6.060 -17.398 -17.647
   91   1HG   ARG  11          2HG       ARG  11  -5.861 -20.256 -16.732
   92   2HG   ARG  11          3HG       ARG  11  -5.714 -19.019 -15.499
   93   1HD   ARG  11          2HD       ARG  11  -8.045 -19.406 -15.556
   94   2HD   ARG  11          3HD       ARG  11  -7.876 -17.982 -16.563
   95    HE   ARG  11           HE       ARG  11  -8.562 -19.242 -18.408
   96   1HH1  ARG  11          2HH2      ARG  11  -7.491 -21.430 -15.869
   97   2HH1  ARG  11          1HH2      ARG  11  -7.994 -22.857 -16.710
   98   1HH2  ARG  11          2HH1      ARG  11  -9.225 -21.125 -19.519
   99   2HH2  ARG  11          1HH1      ARG  11  -8.987 -22.683 -18.801
  100    H    SER  12           HN       SER  12  -5.063 -19.098 -21.438
  101    HA   SER  12           HA       SER  12  -7.686 -18.491 -22.070
  102   1HB   SER  12          2HB       SER  12  -7.429 -16.242 -21.366
  103   2HB   SER  12          3HB       SER  12  -5.784 -16.138 -21.962
  104    HG   SER  12           HG       SER  12  -7.655 -16.713 -23.969
  105    H    ILE  13           HN       ILE  13  -8.022 -18.647 -24.381
  106    HA   ILE  13           HA       ILE  13  -5.620 -19.561 -25.780
  107    HB   ILE  13           HB       ILE  13  -8.557 -20.063 -26.263
  108   1HG1  ILE  13          2HG1      ILE  13  -7.189 -22.473 -25.914
  109   2HG1  ILE  13          3HG1      ILE  13  -6.497 -21.414 -24.702
  110   1HG2  ILE  13          1HG2      ILE  13  -6.591 -21.663 -27.756
  111   2HG2  ILE  13          2HG2      ILE  13  -8.136 -20.949 -28.277
  112   3HG2  ILE  13          3HG2      ILE  13  -6.664 -19.949 -28.229
  113   1HD1  ILE  13          1HD1      ILE  13  -8.789 -22.791 -24.290
  114   2HD1  ILE  13          2HD1      ILE  13  -8.480 -21.210 -23.532
  115   3HD1  ILE  13          3HD1      ILE  13  -9.479 -21.312 -25.001
  116    H    SER  14           HN       SER  14  -4.870 -17.328 -26.095
  117    HA   SER  14           HA       SER  14  -5.817 -16.362 -28.572
  118   1HB   SER  14          2HB       SER  14  -6.290 -14.007 -27.669
  119   2HB   SER  14          3HB       SER  14  -7.521 -15.217 -27.363
  120    HG   SER  14           HG       SER  14  -6.591 -13.711 -25.532
  121    H    ASP  15           HN       ASP  15  -4.329 -14.729 -29.471
  122    HA   ASP  15           HA       ASP  15  -2.398 -13.791 -29.776
  123   1HB   ASP  15          2HB       ASP  15  -2.863 -13.423 -26.929
  124   2HB   ASP  15          3HB       ASP  15  -1.150 -13.683 -27.193
  125    HD2  ASP  15           HD2      ASP  15  -2.665 -11.067 -29.603
  126    H    LEU  16           HN       LEU  16  -2.810 -16.823 -29.330
  127    HA   LEU  16           HA       LEU  16  -0.863 -18.135 -28.060
  128   1HB   LEU  16          2HB       LEU  16  -2.734 -18.737 -29.950
  129   2HB   LEU  16          3HB       LEU  16  -1.252 -19.050 -30.831
  130    HG   LEU  16           HG       LEU  16  -0.572 -20.452 -28.742
  131   1HD1  LEU  16          1HD1      LEU  16  -2.135 -21.106 -27.225
  132   2HD1  LEU  16          2HD1      LEU  16  -2.779 -19.490 -27.602
  133   3HD1  LEU  16          3HD1      LEU  16  -3.489 -20.932 -28.368
  134   1HD2  LEU  16          1HD2      LEU  16  -1.844 -22.429 -29.672
  135   2HD2  LEU  16          2HD2      LEU  16  -2.636 -21.289 -30.787
  136   3HD2  LEU  16          3HD2      LEU  16  -0.870 -21.507 -30.842
  137    H    HIS  17           HN       HIS  17  -0.494 -16.820 -31.431
  138    HA   HIS  17           HA       HIS  17   2.393 -16.923 -30.964
  139   1HB   HIS  17          2HB       HIS  17   0.694 -17.610 -33.223
  140   2HB   HIS  17          3HB       HIS  17   1.919 -16.446 -33.686
  141    HD1  HIS  17           HD1      HIS  17   1.729 -19.813 -31.858
  142    HD2  HIS  17           HD2      HIS  17   4.348 -17.573 -34.249
  143    HE1  HIS  17           HE1      HIS  17   3.745 -21.311 -32.307
  144    H    GLN  18           HN       GLN  18   0.599 -14.855 -29.869
  145    HA   GLN  18           HA       GLN  18   1.863 -12.617 -31.213
  146   1HB   GLN  18          2HB       GLN  18  -1.021 -13.161 -31.097
  147   2HB   GLN  18          3HB       GLN  18  -0.632 -11.609 -30.384
  148   1HG   GLN  18          2HG       GLN  18  -0.159 -10.686 -32.410
  149   2HG   GLN  18          3HG       GLN  18   0.886 -12.019 -32.858
  150   1HE2  GLN  18          1HE2      GLN  18  -0.240 -11.331 -34.934
  151   2HE2  GLN  18          2HE2      GLN  18  -1.668 -12.202 -35.384
  152    H    THR  19           HN       THR  19   2.182 -10.732 -29.806
  153    HA   THR  19           HA       THR  19   1.443 -10.981 -27.031
  154    HB   THR  19           HB       THR  19   4.319 -11.320 -28.015
  155    HG1  THR  19           HG1      THR  19   3.971 -13.304 -26.941
  156   1HG2  THR  19          1HG2      THR  19   4.095 -11.529 -25.163
  157   2HG2  THR  19          2HG2      THR  19   5.051 -10.344 -26.085
  158   3HG2  THR  19          3HG2      THR  19   3.376  -9.966 -25.618
  159    H    LEU  20           HN       LEU  20   3.853  -9.301 -29.169
  160    HA   LEU  20           HA       LEU  20   2.524  -6.808 -28.404
  161   1HB   LEU  20          2HB       LEU  20   4.418  -5.773 -27.699
  162   2HB   LEU  20          3HB       LEU  20   4.689  -7.397 -27.098
  163    HG   LEU  20           HG       LEU  20   6.742  -6.614 -28.001
  164   1HD1  LEU  20          1HD1      LEU  20   5.717  -8.981 -28.677
  165   2HD1  LEU  20          2HD1      LEU  20   5.913  -8.301 -30.310
  166   3HD1  LEU  20          3HD1      LEU  20   7.319  -8.437 -29.228
  167   1HD2  LEU  20          1HD2      LEU  20   7.032  -5.334 -29.832
  168   2HD2  LEU  20          2HD2      LEU  20   5.823  -6.226 -30.786
  169   3HD2  LEU  20          3HD2      LEU  20   5.298  -4.994 -29.614
  Start of MODEL    7
    1    H    LYS   1           HN       LYS   1   1.884   0.000   0.829
    2    HA   LYS   1           HA       LYS   1   1.528   0.623  -1.955
    3   1HB   LYS   1          2HB       LYS   1   3.779   0.488  -0.018
    4   2HB   LYS   1          3HB       LYS   1   4.178   0.155  -1.691
    5   1HG   LYS   1          2HG       LYS   1   2.426   2.403  -1.756
    6   2HG   LYS   1          3HG       LYS   1   3.533   2.708  -0.432
    7   1HD   LYS   1          2HD       LYS   1   5.470   2.232  -1.965
    8   2HD   LYS   1          3HD       LYS   1   4.347   1.981  -3.287
    9   1HE   LYS   1          2HE       LYS   1   3.563   4.469  -2.236
   10   2HE   LYS   1          3HE       LYS   1   5.310   4.509  -2.105
   11   1HZ   LYS   1          1HZ       LYS   1   3.691   4.576  -4.431
   12   2HZ   LYS   1          2HZ       LYS   1   5.249   5.024  -4.240
   13   3HZ   LYS   1          3HZ       LYS   1   4.881   3.463  -4.549
   14    H    LYS   2           HN       LYS   2   0.418  -1.123  -2.893
   15    HA   LYS   2           HA       LYS   2   2.094  -3.480  -3.228
   16   1HB   LYS   2          2HB       LYS   2  -0.214  -3.441  -1.551
   17   2HB   LYS   2          3HB       LYS   2  -0.623  -4.360  -2.986
   18   1HG   LYS   2          2HG       LYS   2   1.898  -5.337  -2.490
   19   2HG   LYS   2          3HG       LYS   2   1.390  -4.957  -0.857
   20   1HD   LYS   2          2HD       LYS   2  -0.503  -6.465  -2.678
   21   2HD   LYS   2          3HD       LYS   2   0.822  -7.327  -1.921
   22   1HE   LYS   2          2HE       LYS   2  -0.049  -6.120   0.295
   23   2HE   LYS   2          3HE       LYS   2  -1.539  -5.956  -0.613
   24   1HZ   LYS   2          1HZ       LYS   2  -0.175  -8.536  -0.418
   25   2HZ   LYS   2          2HZ       LYS   2  -1.212  -8.038   0.741
   26   3HZ   LYS   2          3HZ       LYS   2  -1.737  -8.240  -0.791
   27    H    ALA   3           HN       ALA   3   2.518  -2.421  -5.293
   28    HA   ALA   3           HA       ALA   3   0.218  -2.147  -7.047
   29   1HB   ALA   3          1HB       ALA   3   1.886  -1.171  -8.593
   30   2HB   ALA   3          2HB       ALA   3   1.938  -0.384  -6.997
   31   3HB   ALA   3          3HB       ALA   3   3.183  -1.575  -7.443
   32    H    VAL   4           HN       VAL   4   0.739  -2.993  -9.433
   33    HA   VAL   4           HA       VAL   4   1.512  -5.802  -9.081
   34    HB   VAL   4           HB       VAL   4  -0.101  -4.714 -11.367
   35   1HG1  VAL   4          1HG1      VAL   4  -0.344  -7.388  -9.977
   36   2HG1  VAL   4          2HG1      VAL   4  -0.872  -6.928 -11.613
   37   3HG1  VAL   4          3HG1      VAL   4   0.863  -7.092 -11.251
   38   1HG2  VAL   4          1HG2      VAL   4  -1.209  -5.508  -8.652
   39   2HG2  VAL   4          2HG2      VAL   4  -1.198  -3.867  -9.343
   40   3HG2  VAL   4          3HG2      VAL   4  -2.167  -5.149 -10.109
   41    H    ILE   5           HN       ILE   5   2.776  -6.822 -10.790
   42    HA   ILE   5           HA       ILE   5   4.034  -5.011 -12.673
   43    HB   ILE   5           HB       ILE   5   5.854  -6.687 -11.004
   44   1HG1  ILE   5          2HG1      ILE   5   6.214  -4.574  -9.589
   45   2HG1  ILE   5          3HG1      ILE   5   4.645  -4.048 -10.165
   46   1HG2  ILE   5          1HG2      ILE   5   7.365  -5.728 -12.310
   47   2HG2  ILE   5          2HG2      ILE   5   6.092  -4.788 -13.125
   48   3HG2  ILE   5          3HG2      ILE   5   6.895  -4.132 -11.679
   49   1HD1  ILE   5          1HD1      ILE   5   4.295  -6.761  -9.371
   50   2HD1  ILE   5          2HD1      ILE   5   5.264  -5.987  -8.094
   51   3HD1  ILE   5          3HD1      ILE   5   3.683  -5.306  -8.548
   52    H    ASN   6           HN       ASN   6   4.209  -5.998 -14.621
   53    HA   ASN   6           HA       ASN   6   4.142  -8.913 -14.558
   54   1HB   ASN   6          2HB       ASN   6   2.295  -7.063 -15.782
   55   2HB   ASN   6          3HB       ASN   6   3.158  -7.860 -17.083
   56   1HD2  ASN   6          1HD2      ASN   6   0.399  -8.121 -16.400
   57   2HD2  ASN   6          2HD2      ASN   6   0.082  -9.777 -16.004
   58    H    GLY   7           HN       GLY   7   5.849  -9.870 -15.712
   59   1HA   GLY   7          1HA       GLY   7   6.977  -9.418 -18.027
   60   2HA   GLY   7          2HA       GLY   7   7.663  -8.068 -17.145
   61    H    GLU   8           HN       GLU   8   7.787 -11.506 -17.735
   62    HA   GLU   8           HA       GLU   8   9.405 -12.033 -15.439
   63   1HB   GLU   8          2HB       GLU   8   7.805 -13.710 -16.432
   64   2HB   GLU   8          3HB       GLU   8   8.821 -13.799 -17.857
   65   1HG   GLU   8          2HG       GLU   8  10.067 -15.378 -16.814
   66   2HG   GLU   8          3HG       GLU   8  10.603 -14.154 -15.680
   67    HE2  GLU   8           HE2      GLU   8   7.688 -16.741 -14.898
   68    H    GLN   9           HN       GLN   9  11.668 -12.483 -15.433
   69    HA   GLN   9           HA       GLN   9  13.160 -12.602 -17.777
   70   1HB   GLN   9          2HB       GLN   9  13.060 -10.344 -18.252
   71   2HB   GLN   9          3HB       GLN   9  12.753  -9.890 -16.587
   72   1HG   GLN   9          2HG       GLN   9  15.122 -10.306 -15.998
   73   2HG   GLN   9          3HG       GLN   9  15.452 -10.883 -17.619
   74   1HE2  GLN   9          1HE2      GLN   9  15.639  -9.481 -19.316
   75   2HE2  GLN   9          2HE2      GLN   9  15.752  -7.761 -19.146
   76    H    ILE  10           HN       ILE  10  14.976 -13.747 -17.230
   77    HA   ILE  10           HA       ILE  10  15.751 -13.658 -14.401
   78    HB   ILE  10           HB       ILE  10  16.911 -15.894 -15.595
   79   1HG1  ILE  10          2HG1      ILE  10  14.039 -15.582 -16.519
   80   2HG1  ILE  10          3HG1      ILE  10  15.459 -15.639 -17.545
   81   1HG2  ILE  10          1HG2      ILE  10  15.690 -15.355 -13.300
   82   2HG2  ILE  10          2HG2      ILE  10  14.331 -16.160 -14.120
   83   3HG2  ILE  10          3HG2      ILE  10  15.875 -17.019 -13.905
   84   1HD1  ILE  10          1HD1      ILE  10  14.072 -17.839 -17.159
   85   2HD1  ILE  10          2HD1      ILE  10  15.850 -17.927 -17.121
   86   3HD1  ILE  10          3HD1      ILE  10  14.928 -17.900 -15.599
   87    H    ARG  11           HN       ARG  11  16.681 -11.489 -15.578
   88    HA   ARG  11           HA       ARG  11  19.156 -12.095 -16.884
   89   1HB   ARG  11          2HB       ARG  11  17.347  -9.949 -16.975
   90   2HB   ARG  11          3HB       ARG  11  18.699  -9.279 -16.085
   91   1HG   ARG  11          2HG       ARG  11  19.689 -10.834 -18.345
   92   2HG   ARG  11          3HG       ARG  11  18.501  -9.673 -18.905
   93   1HD   ARG  11          2HD       ARG  11  19.857  -7.875 -18.457
   94   2HD   ARG  11          3HD       ARG  11  20.394  -8.534 -16.925
   95    HE   ARG  11           HE       ARG  11  21.522 -10.080 -19.074
   96   1HH1  ARG  11          2HH2      ARG  11  21.819  -6.943 -17.508
   97   2HH1  ARG  11          1HH2      ARG  11  23.487  -6.746 -17.934
   98   1HH2  ARG  11          2HH1      ARG  11  23.722  -9.821 -19.635
   99   2HH2  ARG  11          1HH1      ARG  11  24.576  -8.394 -19.152
  100    H    SER  12           HN       SER  12  18.974 -13.094 -14.191
  101    HA   SER  12           HA       SER  12  21.066 -11.476 -12.999
  102   1HB   SER  12          2HB       SER  12  20.079 -11.527 -10.816
  103   2HB   SER  12          3HB       SER  12  18.817 -10.989 -11.905
  104    HG   SER  12           HG       SER  12  17.657 -12.740 -11.461
  105    H    ILE  13           HN       ILE  13  22.825 -12.827 -12.959
  106    HA   ILE  13           HA       ILE  13  22.363 -15.560 -12.017
  107    HB   ILE  13           HB       ILE  13  22.487 -15.823 -14.355
  108   1HG1  ILE  13          2HG1      ILE  13  24.869 -16.883 -14.587
  109   2HG1  ILE  13          3HG1      ILE  13  25.021 -16.500 -12.883
  110   1HG2  ILE  13          1HG2      ILE  13  23.302 -14.108 -15.531
  111   2HG2  ILE  13          2HG2      ILE  13  24.367 -13.581 -14.206
  112   3HG2  ILE  13          3HG2      ILE  13  24.890 -14.880 -15.306
  113   1HD1  ILE  13          1HD1      ILE  13  23.547 -18.131 -12.254
  114   2HD1  ILE  13          2HD1      ILE  13  22.431 -17.767 -13.593
  115   3HD1  ILE  13          3HD1      ILE  13  23.856 -18.797 -13.876
  116    H    SER  14           HN       SER  14  23.329 -15.568 -10.052
  117    HA   SER  14           HA       SER  14  26.111 -15.007  -9.975
  118   1HB   SER  14          2HB       SER  14  24.121 -13.100  -8.791
  119   2HB   SER  14          3HB       SER  14  25.530 -13.468  -7.815
  120    HG   SER  14           HG       SER  14  26.794 -12.347  -9.151
  121    H    ASP  15           HN       ASP  15  23.279 -15.088  -7.676
  122    HA   ASP  15           HA       ASP  15  22.778 -16.400  -6.026
  123   1HB   ASP  15          2HB       ASP  15  23.993 -18.179  -7.978
  124   2HB   ASP  15          3HB       ASP  15  24.403 -18.740  -6.370
  125    HD2  ASP  15           HD2      ASP  15  20.741 -18.327  -7.738
  126    H    LEU  16           HN       LEU  16  25.371 -14.718  -6.124
  127    HA   LEU  16           HA       LEU  16  27.536 -15.764  -4.965
  128   1HB   LEU  16          2HB       LEU  16  26.152 -13.155  -4.346
  129   2HB   LEU  16          3HB       LEU  16  27.755 -13.559  -3.763
  130    HG   LEU  16           HG       LEU  16  27.203 -13.719  -6.707
  131   1HD1  LEU  16          1HD1      LEU  16  27.719 -11.146  -5.192
  132   2HD1  LEU  16          2HD1      LEU  16  27.799 -11.337  -6.959
  133   3HD1  LEU  16          3HD1      LEU  16  26.254 -11.572  -6.108
  134   1HD2  LEU  16          1HD2      LEU  16  29.403 -14.298  -5.271
  135   2HD2  LEU  16          2HD2      LEU  16  29.449 -13.702  -6.947
  136   3HD2  LEU  16          3HD2      LEU  16  29.702 -12.574  -5.593
  137    H    HIS  17           HN       HIS  17  24.661 -14.574  -3.082
  138    HA   HIS  17           HA       HIS  17  25.599 -16.291  -0.907
  139   1HB   HIS  17          2HB       HIS  17  24.527 -13.589  -1.019
  140   2HB   HIS  17          3HB       HIS  17  23.586 -14.597   0.063
  141    HD1  HIS  17           HD1      HIS  17  24.551 -13.132   2.060
  142    HD2  HIS  17           HD2      HIS  17  27.388 -15.415  -0.022
  143    HE1  HIS  17           HE1      HIS  17  26.645 -13.171   3.517
  144    H    GLN  18           HN       GLN  18  24.192 -17.262  -3.309
  145    HA   GLN  18           HA       GLN  18  21.878 -18.317  -1.907
  146   1HB   GLN  18          2HB       GLN  18  21.820 -16.607  -4.255
  147   2HB   GLN  18          3HB       GLN  18  21.183 -18.185  -4.671
  148   1HG   GLN  18          2HG       GLN  18  19.321 -17.933  -3.350
  149   2HG   GLN  18          3HG       GLN  18  20.218 -17.172  -2.051
  150   1HE2  GLN  18          1HE2      GLN  18  19.565 -15.217  -1.636
  151   2HE2  GLN  18          2HE2      GLN  18  19.028 -14.018  -2.764
  152    H    THR  19           HN       THR  19  21.929 -20.525  -1.891
  153    HA   THR  19           HA       THR  19  22.783 -22.570  -2.260
  154    HB   THR  19           HB       THR  19  21.992 -21.675  -5.082
  155    HG1  THR  19           HG1      THR  19  20.022 -22.884  -4.224
  156   1HG2  THR  19          1HG2      THR  19  23.286 -24.034  -4.514
  157   2HG2  THR  19          2HG2      THR  19  21.609 -24.486  -4.123
  158   3HG2  THR  19          3HG2      THR  19  22.015 -23.894  -5.752
  159    H    LEU  20           HN       LEU  20  24.948 -21.730  -1.551
  160    HA   LEU  20           HA       LEU  20  26.832 -21.365  -3.714
  161   1HB   LEU  20          2HB       LEU  20  28.444 -21.069  -1.833
  162   2HB   LEU  20          3HB       LEU  20  27.132 -19.910  -1.903
  163    HG   LEU  20           HG       LEU  20  26.520 -22.211  -0.190
  164   1HD1  LEU  20          1HD1      LEU  20  28.494 -22.422   0.823
  165   2HD1  LEU  20          2HD1      LEU  20  29.145 -20.955   0.054
  166   3HD1  LEU  20          3HD1      LEU  20  28.173 -20.825   1.540
  167   1HD2  LEU  20          1HD2      LEU  20  25.502 -20.632   1.151
  168   2HD2  LEU  20          2HD2      LEU  20  26.638 -19.342   0.687
  169   3HD2  LEU  20          3HD2      LEU  20  25.384 -19.878  -0.457
  Start of MODEL    8
    1    H    LYS   1           HN       LYS   1   1.884   0.000   0.829
    2    HA   LYS   1           HA       LYS   1   2.019  -1.007  -1.659
    3   1HB   LYS   1          2HB       LYS   1   1.833   0.753  -3.253
    4   2HB   LYS   1          3HB       LYS   1   0.354   0.742  -2.315
    5   1HG   LYS   1          2HG       LYS   1   1.871   2.476  -0.812
    6   2HG   LYS   1          3HG       LYS   1   2.529   2.788  -2.406
    7   1HD   LYS   1          2HD       LYS   1  -0.034   2.890  -3.127
    8   2HD   LYS   1          3HD       LYS   1  -0.306   3.174  -1.420
    9   1HE   LYS   1          2HE       LYS   1   1.680   4.803  -3.070
   10   2HE   LYS   1          3HE       LYS   1   0.005   5.275  -2.863
   11   1HZ   LYS   1          1HZ       LYS   1   0.767   4.791  -0.355
   12   2HZ   LYS   1          2HZ       LYS   1   2.153   5.381  -0.987
   13   3HZ   LYS   1          3HZ       LYS   1   0.783   6.268  -1.053
   14    H    LYS   2           HN       LYS   2   4.170  -1.068  -2.332
   15    HA   LYS   2           HA       LYS   2   6.017   0.905  -1.412
   16   1HB   LYS   2          2HB       LYS   2   5.488  -1.290   0.324
   17   2HB   LYS   2          3HB       LYS   2   7.073  -1.555  -0.375
   18   1HG   LYS   2          2HG       LYS   2   6.509   1.251   0.497
   19   2HG   LYS   2          3HG       LYS   2   6.608   0.069   1.787
   20   1HD   LYS   2          2HD       LYS   2   8.802  -0.673   0.334
   21   2HD   LYS   2          3HD       LYS   2   8.747   1.028  -0.082
   22   1HE   LYS   2          2HE       LYS   2   8.284   0.729   2.777
   23   2HE   LYS   2          3HE       LYS   2   9.734  -0.149   2.333
   24   1HZ   LYS   2          1HZ       LYS   2  10.019   2.122   0.971
   25   2HZ   LYS   2          2HZ       LYS   2   9.249   2.665   2.305
   26   3HZ   LYS   2          3HZ       LYS   2  10.658   1.852   2.450
   27    H    ALA   3           HN       ALA   3   5.923   0.892  -3.847
   28    HA   ALA   3           HA       ALA   3   8.004  -0.892  -4.799
   29   1HB   ALA   3          1HB       ALA   3   5.692  -1.952  -5.191
   30   2HB   ALA   3          2HB       ALA   3   5.405  -0.626  -6.343
   31   3HB   ALA   3          3HB       ALA   3   6.744  -1.767  -6.616
   32    H    VAL   4           HN       VAL   4   8.504  -0.186  -7.226
   33    HA   VAL   4           HA       VAL   4   8.827   2.685  -7.081
   34    HB   VAL   4           HB       VAL   4  10.662   1.059  -7.618
   35   1HG1  VAL   4          1HG1      VAL   4   9.869   0.916 -10.459
   36   2HG1  VAL   4          2HG1      VAL   4  10.642  -0.302  -9.417
   37   3HG1  VAL   4          3HG1      VAL   4   8.878  -0.068  -9.356
   38   1HG2  VAL   4          1HG2      VAL   4  10.332   3.614  -8.396
   39   2HG2  VAL   4          2HG2      VAL   4  11.775   2.654  -8.802
   40   3HG2  VAL   4          3HG2      VAL   4  10.467   2.843  -9.994
   41    H    ILE   5           HN       ILE   5   8.666   3.787  -9.429
   42    HA   ILE   5           HA       ILE   5   6.344   2.799 -10.857
   43    HB   ILE   5           HB       ILE   5   6.263   5.650  -9.975
   44   1HG1  ILE   5          2HG1      ILE   5   4.745   4.834  -8.071
   45   2HG1  ILE   5          3HG1      ILE   5   5.508   3.269  -8.275
   46   1HG2  ILE   5          1HG2      ILE   5   3.923   3.804 -10.312
   47   2HG2  ILE   5          2HG2      ILE   5   4.038   5.562 -10.567
   48   3HG2  ILE   5          3HG2      ILE   5   4.765   4.443 -11.744
   49   1HD1  ILE   5          1HD1      ILE   5   6.533   5.626  -6.930
   50   2HD1  ILE   5          2HD1      ILE   5   7.223   3.986  -6.986
   51   3HD1  ILE   5          3HD1      ILE   5   7.635   5.169  -8.251
   52    H    ASN   6           HN       ASN   6   6.669   3.026 -13.011
   53    HA   ASN   6           HA       ASN   6   8.650   5.025 -13.776
   54   1HB   ASN   6          2HB       ASN   6   8.674   2.167 -14.186
   55   2HB   ASN   6          3HB       ASN   6   8.428   2.907 -15.755
   56   1HD2  ASN   6          1HD2      ASN   6  10.727   1.515 -14.409
   57   2HD2  ASN   6          2HD2      ASN   6  12.096   2.557 -14.614
   58    H    GLY   7           HN       GLY   7   7.895   6.474 -15.355
   59   1HA   GLY   7          1HA       GLY   7   6.726   7.102 -17.245
   60   2HA   GLY   7          2HA       GLY   7   5.742   5.655 -17.144
   61    H    GLU   8           HN       GLU   8   6.480   8.550 -15.057
   62    HA   GLU   8           HA       GLU   8   3.607   8.913 -14.837
   63   1HB   GLU   8          2HB       GLU   8   4.595   7.704 -12.797
   64   2HB   GLU   8          3HB       GLU   8   5.477   9.177 -12.449
   65   1HG   GLU   8          2HG       GLU   8   3.587  10.322 -11.777
   66   2HG   GLU   8          3HG       GLU   8   2.563   9.557 -12.975
   67    HE2  GLU   8           HE2      GLU   8   1.716   7.134 -12.026
   68    H    GLN   9           HN       GLN   9   3.060  11.183 -13.990
   69    HA   GLN   9           HA       GLN   9   5.047  13.130 -13.931
   70   1HB   GLN   9          2HB       GLN   9   5.412  13.182 -16.211
   71   2HB   GLN   9          3HB       GLN   9   3.825  12.546 -16.597
   72   1HG   GLN   9          2HG       GLN   9   3.982  15.296 -15.364
   73   2HG   GLN   9          3HG       GLN   9   4.456  15.121 -17.042
   74   1HE2  GLN   9          1HE2      GLN   9   2.927  13.784 -18.405
   75   2HE2  GLN   9          2HE2      GLN   9   1.230  14.080 -18.224
   76    H    ILE  10           HN       ILE  10   4.196  14.764 -12.702
   77    HA   ILE  10           HA       ILE  10   1.266  14.933 -12.632
   78    HB   ILE  10           HB       ILE  10   2.311  16.265 -10.418
   79   1HG1  ILE  10          2HG1      ILE  10   3.809  13.673 -10.897
   80   2HG1  ILE  10          3HG1      ILE  10   4.502  15.279 -10.781
   81   1HG2  ILE  10          1HG2      ILE  10   0.247  14.780 -10.752
   82   2HG2  ILE  10          2HG2      ILE  10   1.326  13.416 -10.374
   83   3HG2  ILE  10          3HG2      ILE  10   1.076  14.712  -9.179
   84   1HD1  ILE  10          1HD1      ILE  10   3.345  15.371  -8.424
   85   2HD1  ILE  10          2HD1      ILE  10   3.243  13.602  -8.593
   86   3HD1  ILE  10          3HD1      ILE  10   4.830  14.408  -8.612
   87    H    ARG  11           HN       ARG  11   2.108  16.137 -14.822
   88    HA   ARG  11           HA       ARG  11   2.902  18.816 -14.196
   89   1HB   ARG  11          2HB       ARG  11   3.618  17.341 -16.265
   90   2HB   ARG  11          3HB       ARG  11   2.077  17.819 -16.950
   91   1HG   ARG  11          2HG       ARG  11   2.692  20.070 -17.144
   92   2HG   ARG  11          3HG       ARG  11   3.816  19.995 -15.802
   93   1HD   ARG  11          2HD       ARG  11   4.320  18.527 -18.430
   94   2HD   ARG  11          3HD       ARG  11   4.855  20.174 -18.160
   95    HE   ARG  11           HE       ARG  11   5.965  17.746 -16.929
   96   1HH1  ARG  11          2HH2      ARG  11   5.717  21.251 -16.738
   97   2HH1  ARG  11          1HH2      ARG  11   7.154  21.428 -15.786
   98   1HH2  ARG  11          2HH1      ARG  11   7.860  17.979 -15.673
   99   2HH2  ARG  11          1HH1      ARG  11   8.381  19.555 -15.177
  100    H    SER  12           HN       SER  12   0.362  18.052 -13.078
  101    HA   SER  12           HA       SER  12  -1.188  20.172 -13.903
  102   1HB   SER  12          2HB       SER  12  -1.851  19.113 -15.902
  103   2HB   SER  12          3HB       SER  12  -1.869  17.518 -15.176
  104    HG   SER  12           HG       SER  12  -4.000  17.914 -15.160
  105    H    ILE  13           HN       ILE  13  -1.077  20.316 -11.551
  106    HA   ILE  13           HA       ILE  13  -3.287  19.118 -10.276
  107    HB   ILE  13           HB       ILE  13  -1.699  17.194 -10.339
  108   1HG1  ILE  13          2HG1      ILE  13  -1.843  16.955  -7.681
  109   2HG1  ILE  13          3HG1      ILE  13  -2.889  18.350  -7.855
  110   1HG2  ILE  13          1HG2      ILE  13   0.150  19.154  -9.433
  111   2HG2  ILE  13          2HG2      ILE  13  -0.034  17.942  -8.142
  112   3HG2  ILE  13          3HG2      ILE  13   0.432  17.432  -9.782
  113   1HD1  ILE  13          1HD1      ILE  13  -4.042  16.967  -9.773
  114   2HD1  ILE  13          2HD1      ILE  13  -3.232  15.573  -9.018
  115   3HD1  ILE  13          3HD1      ILE  13  -4.391  16.545  -8.080
  116    H    SER  14           HN       SER  14  -3.879  20.343  -8.495
  117    HA   SER  14           HA       SER  14  -2.038  22.525  -7.935
  118   1HB   SER  14          2HB       SER  14  -4.870  22.409  -8.455
  119   2HB   SER  14          3HB       SER  14  -4.653  22.984  -6.813
  120    HG   SER  14           HG       SER  14  -4.609  24.593  -8.709
  121    H    ASP  15           HN       ASP  15  -0.747  21.382  -6.361
  122    HA   ASP  15           HA       ASP  15  -2.138  21.124  -3.837
  123   1HB   ASP  15          2HB       ASP  15  -1.062  18.922  -5.400
  124   2HB   ASP  15          3HB       ASP  15  -0.127  19.078  -3.926
  125    HD2  ASP  15           HD2      ASP  15  -2.386  17.405  -2.126
  126    H    LEU  16           HN       LEU  16  -0.155  22.983  -5.312
  127    HA   LEU  16           HA       LEU  16   2.423  22.767  -4.657
  128   1HB   LEU  16          2HB       LEU  16   0.713  24.783  -5.476
  129   2HB   LEU  16          3HB       LEU  16   1.393  25.416  -3.990
  130    HG   LEU  16           HG       LEU  16   3.286  24.239  -5.978
  131   1HD1  LEU  16          1HD1      LEU  16   2.929  25.671  -7.639
  132   2HD1  LEU  16          2HD1      LEU  16   1.391  26.092  -6.848
  133   3HD1  LEU  16          3HD1      LEU  16   2.852  27.056  -6.524
  134   1HD2  LEU  16          1HD2      LEU  16   3.632  25.457  -3.587
  135   2HD2  LEU  16          2HD2      LEU  16   4.847  25.444  -4.888
  136   3HD2  LEU  16          3HD2      LEU  16   3.779  26.853  -4.682
  137    H    HIS  17           HN       HIS  17  -0.078  24.174  -2.421
  138    HA   HIS  17           HA       HIS  17   1.780  23.560  -0.245
  139   1HB   HIS  17          2HB       HIS  17   0.080  25.840  -0.859
  140   2HB   HIS  17          3HB       HIS  17  -0.274  25.200   0.734
  141    HD1  HIS  17           HD1      HIS  17   0.777  27.414   1.746
  142    HD2  HIS  17           HD2      HIS  17   3.460  24.962  -0.347
  143    HE1  HIS  17           HE1      HIS  17   3.116  28.226   2.361
  144    H    GLN  18           HN       GLN  18   0.091  21.564  -1.609
  145    HA   GLN  18           HA       GLN  18  -1.417  20.786   0.742
  146   1HB   GLN  18          2HB       GLN  18  -2.631  21.663  -1.674
  147   2HB   GLN  18          3HB       GLN  18  -2.797  19.919  -1.675
  148   1HG   GLN  18          2HG       GLN  18  -3.421  20.550   0.963
  149   2HG   GLN  18          3HG       GLN  18  -4.062  21.934   0.102
  150   1HE2  GLN  18          1HE2      GLN  18  -5.069  19.298   1.426
  151   2HE2  GLN  18          2HE2      GLN  18  -6.274  18.713   0.327
  152    H    THR  19           HN       THR  19  -1.459  18.512   1.118
  153    HA   THR  19           HA       THR  19  -0.308  16.771  -0.892
  154    HB   THR  19           HB       THR  19   1.108  17.685   1.619
  155    HG1  THR  19           HG1      THR  19   1.521  18.154  -0.795
  156   1HG2  THR  19          1HG2      THR  19   2.584  15.527   1.059
  157   2HG2  THR  19          2HG2      THR  19   1.221  15.399   2.196
  158   3HG2  THR  19          3HG2      THR  19   1.026  14.865   0.509
  159    H    LEU  20           HN       LEU  20  -1.417  14.921  -0.937
  160    HA   LEU  20           HA       LEU  20  -2.404  13.841   1.559
  161   1HB   LEU  20          2HB       LEU  20  -4.069  15.424  -0.075
  162   2HB   LEU  20          3HB       LEU  20  -4.551  13.763  -0.355
  163    HG   LEU  20           HG       LEU  20  -4.414  13.760   2.358
  164   1HD1  LEU  20          1HD1      LEU  20  -4.375  16.538   1.610
  165   2HD1  LEU  20          2HD1      LEU  20  -5.887  16.160   2.469
  166   3HD1  LEU  20          3HD1      LEU  20  -4.318  15.797   3.227
  167   1HD2  LEU  20          1HD2      LEU  20  -6.379  12.900   1.714
  168   2HD2  LEU  20          2HD2      LEU  20  -7.005  14.547   1.971
  169   3HD2  LEU  20          3HD2      LEU  20  -6.534  14.018   0.337
  Start of MODEL    9
    1    H    LYS   1           HN       LYS   1   1.884   0.000   0.829
    2    HA   LYS   1           HA       LYS   1   2.083  -1.023  -1.621
    3   1HB   LYS   1          2HB       LYS   1   0.293   0.674  -2.261
    4   2HB   LYS   1          3HB       LYS   1   1.514   1.915  -2.065
    5   1HG   LYS   1          2HG       LYS   1   2.063   1.493  -4.236
    6   2HG   LYS   1          3HG       LYS   1   2.863   0.058  -3.626
    7   1HD   LYS   1          2HD       LYS   1   1.469  -0.978  -5.149
    8   2HD   LYS   1          3HD       LYS   1   0.366  -0.956  -3.788
    9   1HE   LYS   1          2HE       LYS   1  -0.386   1.389  -4.690
   10   2HE   LYS   1          3HE       LYS   1   0.438   0.935  -6.169
   11   1HZ   LYS   1          1HZ       LYS   1  -2.018  -0.031  -5.118
   12   2HZ   LYS   1          2HZ       LYS   1  -1.456  -0.074  -6.650
   13   3HZ   LYS   1          3HZ       LYS   1  -1.027  -1.240  -5.590
   14    H    LYS   2           HN       LYS   2   4.211  -1.453  -1.432
   15    HA   LYS   2           HA       LYS   2   5.911   0.718  -0.428
   16   1HB   LYS   2          2HB       LYS   2   7.444  -1.001   0.313
   17   2HB   LYS   2          3HB       LYS   2   5.848  -1.309   0.966
   18   1HG   LYS   2          2HG       LYS   2   6.201  -2.603  -1.652
   19   2HG   LYS   2          3HG       LYS   2   7.437  -3.111  -0.518
   20   1HD   LYS   2          2HD       LYS   2   5.956  -4.324   0.722
   21   2HD   LYS   2          3HD       LYS   2   4.786  -3.019   0.755
   22   1HE   LYS   2          2HE       LYS   2   3.967  -3.631  -1.492
   23   2HE   LYS   2          3HE       LYS   2   5.216  -4.849  -1.654
   24   1HZ   LYS   2          1HZ       LYS   2   2.943  -4.856   0.188
   25   2HZ   LYS   2          2HZ       LYS   2   3.328  -5.965  -0.946
   26   3HZ   LYS   2          3HZ       LYS   2   4.225  -5.841   0.413
   27    H    ALA   3           HN       ALA   3   8.086   0.923  -1.431
   28    HA   ALA   3           HA       ALA   3   8.622  -0.345  -3.895
   29   1HB   ALA   3          1HB       ALA   3   8.347   1.655  -5.350
   30   2HB   ALA   3          2HB       ALA   3   6.794   1.074  -4.703
   31   3HB   ALA   3          3HB       ALA   3   7.571   2.511  -3.997
   32    H    VAL   4           HN       VAL   4  10.559  -0.675  -2.605
   33    HA   VAL   4           HA       VAL   4  12.165   1.778  -2.384
   34    HB   VAL   4           HB       VAL   4  12.519  -0.757  -0.788
   35   1HG1  VAL   4          1HG1      VAL   4  14.351   0.252  -0.020
   36   2HG1  VAL   4          2HG1      VAL   4  14.041   1.641  -1.090
   37   3HG1  VAL   4          3HG1      VAL   4  13.367   1.618   0.557
   38   1HG2  VAL   4          1HG2      VAL   4  10.258   0.178  -0.377
   39   2HG2  VAL   4          2HG2      VAL   4  11.317   0.284   1.050
   40   3HG2  VAL   4          3HG2      VAL   4  11.004   1.733   0.066
   41    H    ILE   5           HN       ILE   5  14.396   1.644  -3.030
   42    HA   ILE   5           HA       ILE   5  15.205  -0.807  -4.351
   43    HB   ILE   5           HB       ILE   5  15.441   1.712  -5.936
   44   1HG1  ILE   5          2HG1      ILE   5  13.278   0.969  -7.105
   45   2HG1  ILE   5          3HG1      ILE   5  12.935   0.048  -5.655
   46   1HG2  ILE   5          1HG2      ILE   5  15.204  -1.223  -6.654
   47   2HG2  ILE   5          2HG2      ILE   5  15.383   0.116  -7.814
   48   3HG2  ILE   5          3HG2      ILE   5  16.688  -0.240  -6.656
   49   1HD1  ILE   5          1HD1      ILE   5  13.774   2.676  -4.829
   50   2HD1  ILE   5          2HD1      ILE   5  12.545   2.859  -6.103
   51   3HD1  ILE   5          3HD1      ILE   5  12.175   1.918  -4.638
   52    H    ASN   6           HN       ASN   6  17.306  -1.219  -3.887
   53    HA   ASN   6           HA       ASN   6  18.881   1.090  -3.052
   54   1HB   ASN   6          2HB       ASN   6  18.204  -1.300  -1.580
   55   2HB   ASN   6          3HB       ASN   6  19.917  -1.388  -1.939
   56   1HD2  ASN   6          1HD2      ASN   6  20.642  -1.028   0.091
   57   2HD2  ASN   6          2HD2      ASN   6  20.488   0.471   0.946
   58    H    GLY   7           HN       GLY   7  20.833   1.302  -4.196
   59   1HA   GLY   7          1HA       GLY   7  22.795   0.338  -5.115
   60   2HA   GLY   7          2HA       GLY   7  21.877  -1.076  -5.591
   61    H    GLU   8           HN       GLU   8  22.589   2.342  -6.321
   62    HA   GLU   8           HA       GLU   8  20.946   2.225  -8.678
   63   1HB   GLU   8          2HB       GLU   8  21.018   4.293  -7.303
   64   2HB   GLU   8          3HB       GLU   8  22.741   4.439  -7.590
   65   1HG   GLU   8          2HG       GLU   8  22.462   5.017  -9.856
   66   2HG   GLU   8          3HG       GLU   8  20.906   4.221  -9.980
   67    HE2  GLU   8           HE2      GLU   8  20.910   8.016  -9.395
   68    H    GLN   9           HN       GLN   9  22.226   0.385  -9.615
   69    HA   GLN   9           HA       GLN   9  24.020   1.366 -11.502
   70   1HB   GLN   9          2HB       GLN   9  25.852   1.427 -10.096
   71   2HB   GLN   9          3HB       GLN   9  25.199   0.222  -9.004
   72   1HG   GLN   9          2HG       GLN   9  25.926  -0.675 -11.788
   73   2HG   GLN   9          3HG       GLN   9  27.240  -0.325 -10.683
   74   1HE2  GLN   9          1HE2      GLN   9  27.025  -1.281  -8.465
   75   2HE2  GLN   9          2HE2      GLN   9  26.459  -2.913  -8.335
   76    H    ILE  10           HN       ILE  10  23.762   0.047 -13.262
   77    HA   ILE  10           HA       ILE  10  22.768  -2.659 -12.710
   78    HB   ILE  10           HB       ILE  10  22.237  -2.102 -15.359
   79   1HG1  ILE  10          2HG1      ILE  10  20.978   0.093 -15.197
   80   2HG1  ILE  10          3HG1      ILE  10  21.854   0.410 -13.713
   81   1HG2  ILE  10          1HG2      ILE  10  20.776  -2.466 -12.851
   82   2HG2  ILE  10          2HG2      ILE  10  19.890  -1.490 -14.047
   83   3HG2  ILE  10          3HG2      ILE  10  20.460  -3.121 -14.475
   84   1HD1  ILE  10          1HD1      ILE  10  23.928  -0.317 -15.370
   85   2HD1  ILE  10          2HD1      ILE  10  22.816   0.454 -16.527
   86   3HD1  ILE  10          3HD1      ILE  10  23.398   1.363 -15.111
   87    H    ARG  11           HN       ARG  11  25.391  -2.591 -12.308
   88    HA   ARG  11           HA       ARG  11  26.735  -2.956 -14.810
   89   1HB   ARG  11          2HB       ARG  11  27.695  -1.844 -12.641
   90   2HB   ARG  11          3HB       ARG  11  27.898  -3.478 -12.042
   91   1HG   ARG  11          2HG       ARG  11  29.972  -3.189 -13.049
   92   2HG   ARG  11          3HG       ARG  11  29.091  -3.864 -14.405
   93   1HD   ARG  11          2HD       ARG  11  28.646  -1.601 -15.300
   94   2HD   ARG  11          3HD       ARG  11  29.392  -0.865 -13.895
   95    HE   ARG  11           HE       ARG  11  30.780  -2.144 -16.151
   96   1HH1  ARG  11          2HH2      ARG  11  31.048  -1.023 -12.826
   97   2HH1  ARG  11          1HH2      ARG  11  32.774  -0.884 -12.878
   98   1HH2  ARG  11          2HH1      ARG  11  33.056  -1.961 -16.219
   99   2HH2  ARG  11          1HH1      ARG  11  33.924  -1.421 -14.821
  100    H    SER  12           HN       SER  12  24.599  -4.827 -14.341
  101    HA   SER  12           HA       SER  12  26.038  -7.218 -14.686
  102   1HB   SER  12          2HB       SER  12  26.201  -7.484 -12.354
  103   2HB   SER  12          3HB       SER  12  24.657  -6.714 -12.049
  104    HG   SER  12           HG       SER  12  25.076  -9.295 -12.092
  105    H    ILE  13           HN       ILE  13  24.747  -8.732 -15.818
  106    HA   ILE  13           HA       ILE  13  23.104  -9.184 -17.267
  107    HB   ILE  13           HB       ILE  13  20.963  -9.730 -16.117
  108   1HG1  ILE  13          2HG1      ILE  13  22.336  -8.778 -13.592
  109   2HG1  ILE  13          3HG1      ILE  13  21.152  -7.820 -14.458
  110   1HG2  ILE  13          1HG2      ILE  13  23.630 -10.779 -15.567
  111   2HG2  ILE  13          2HG2      ILE  13  22.467 -11.144 -14.271
  112   3HG2  ILE  13          3HG2      ILE  13  22.114 -11.630 -15.946
  113   1HD1  ILE  13          1HD1      ILE  13  20.615  -9.789 -12.522
  114   2HD1  ILE  13          2HD1      ILE  13  19.428  -9.025 -13.606
  115   3HD1  ILE  13          3HD1      ILE  13  20.194 -10.564 -14.068
  116    H    SER  14           HN       SER  14  23.688  -6.759 -17.980
  117    HA   SER  14           HA       SER  14  21.341  -5.104 -17.642
  118   1HB   SER  14          2HB       SER  14  23.589  -4.088 -17.319
  119   2HB   SER  14          3HB       SER  14  24.030  -4.519 -18.959
  120    HG   SER  14           HG       SER  14  21.663  -2.963 -18.534
  121    H    ASP  15           HN       ASP  15  20.409  -4.017 -19.638
  122    HA   ASP  15           HA       ASP  15  19.491  -4.099 -21.600
  123   1HB   ASP  15          2HB       ASP  15  22.235  -4.929 -22.081
  124   2HB   ASP  15          3HB       ASP  15  21.181  -5.801 -23.176
  125    HD2  ASP  15           HD2      ASP  15  22.227  -3.106 -24.968
  126    H    LEU  16           HN       LEU  16  19.283  -6.397 -19.541
  127    HA   LEU  16           HA       LEU  16  19.173  -8.883 -20.508
  128   1HB   LEU  16          2HB       LEU  16  18.575  -8.173 -18.236
  129   2HB   LEU  16          3HB       LEU  16  17.052  -7.539 -18.827
  130    HG   LEU  16           HG       LEU  16  16.781 -10.053 -19.709
  131   1HD1  LEU  16          1HD1      LEU  16  18.410 -11.398 -19.008
  132   2HD1  LEU  16          2HD1      LEU  16  19.057 -10.168 -17.896
  133   3HD1  LEU  16          3HD1      LEU  16  17.724 -11.227 -17.375
  134   1HD2  LEU  16          1HD2      LEU  16  15.087 -10.093 -18.258
  135   2HD2  LEU  16          2HD2      LEU  16  16.167  -9.953 -16.850
  136   3HD2  LEU  16          3HD2      LEU  16  15.659  -8.492 -17.731
  137    H    HIS  17           HN       HIS  17  16.450  -6.497 -20.861
  138    HA   HIS  17           HA       HIS  17  15.542  -8.138 -23.108
  139   1HB   HIS  17          2HB       HIS  17  14.182  -6.812 -20.904
  140   2HB   HIS  17          3HB       HIS  17  13.536  -6.292 -22.448
  141    HD1  HIS  17           HD1      HIS  17  11.322  -7.613 -21.692
  142    HD2  HIS  17           HD2      HIS  17  14.695  -9.984 -22.467
  143    HE1  HIS  17           HE1      HIS  17  10.471 -10.005 -21.949
  144    H    GLN  18           HN       GLN  18  17.807  -6.253 -23.227
  145    HA   GLN  18           HA       GLN  18  16.661  -4.530 -25.258
  146   1HB   GLN  18          2HB       GLN  18  17.834  -3.642 -22.741
  147   2HB   GLN  18          3HB       GLN  18  18.781  -3.043 -24.088
  148   1HG   GLN  18          2HG       GLN  18  16.993  -1.806 -24.986
  149   2HG   GLN  18          3HG       GLN  18  15.774  -2.836 -24.262
  150   1HE2  GLN  18          1HE2      GLN  18  15.460  -2.754 -21.958
  151   2HE2  GLN  18          2HE2      GLN  18  15.740  -1.286 -21.082
  152    H    THR  19           HN       THR  19  18.526  -3.550 -26.669
  153    HA   THR  19           HA       THR  19  20.950  -5.131 -26.658
  154    HB   THR  19           HB       THR  19  19.351  -6.597 -27.873
  155    HG1  THR  19           HG1      THR  19  21.020  -5.028 -29.701
  156   1HG2  THR  19          1HG2      THR  19  17.715  -4.974 -28.739
  157   2HG2  THR  19          2HG2      THR  19  18.993  -4.115 -29.632
  158   3HG2  THR  19          3HG2      THR  19  18.514  -5.758 -30.123
  159    H    LEU  20           HN       LEU  20  22.662  -3.965 -27.335
  160    HA   LEU  20           HA       LEU  20  22.169  -1.233 -28.006
  161   1HB   LEU  20          2HB       LEU  20  24.027  -2.232 -26.552
  162   2HB   LEU  20          3HB       LEU  20  24.818  -2.662 -28.056
  163    HG   LEU  20           HG       LEU  20  24.270  -0.005 -28.475
  164   1HD1  LEU  20          1HD1      LEU  20  24.966   1.205 -26.450
  165   2HD1  LEU  20          2HD1      LEU  20  23.434   0.329 -26.217
  166   3HD1  LEU  20          3HD1      LEU  20  24.944  -0.323 -25.537
  167   1HD2  LEU  20          1HD2      LEU  20  26.446  -1.584 -28.522
  168   2HD2  LEU  20          2HD2      LEU  20  26.514   0.189 -28.663
  169   3HD2  LEU  20          3HD2      LEU  20  26.830  -0.592 -27.095
  Start of MODEL   10
    1    H    LYS   1           HN       LYS   1   1.884   0.000   0.829
    2    HA   LYS   1           HA       LYS   1   1.351   0.038  -2.061
    3   1HB   LYS   1          2HB       LYS   1   2.550   2.028  -0.686
    4   2HB   LYS   1          3HB       LYS   1   3.953   1.033  -1.018
    5   1HG   LYS   1          2HG       LYS   1   2.238   1.247  -3.390
    6   2HG   LYS   1          3HG       LYS   1   2.688   2.835  -2.799
    7   1HD   LYS   1          2HD       LYS   1   5.108   2.080  -2.752
    8   2HD   LYS   1          3HD       LYS   1   4.612   0.557  -3.465
    9   1HE   LYS   1          2HE       LYS   1   3.596   1.889  -5.400
   10   2HE   LYS   1          3HE       LYS   1   4.321   3.330  -4.713
   11   1HZ   LYS   1          1HZ       LYS   1   6.239   2.755  -5.592
   12   2HZ   LYS   1          2HZ       LYS   1   6.230   1.288  -4.875
   13   3HZ   LYS   1          3HZ       LYS   1   5.529   1.486  -6.337
   14    H    LYS   2           HN       LYS   2   3.121  -1.025  -3.383
   15    HA   LYS   2           HA       LYS   2   3.822  -3.514  -2.043
   16   1HB   LYS   2          2HB       LYS   2   4.025  -4.453  -4.227
   17   2HB   LYS   2          3HB       LYS   2   2.536  -3.531  -4.183
   18   1HG   LYS   2          2HG       LYS   2   4.115  -1.557  -5.082
   19   2HG   LYS   2          3HG       LYS   2   5.125  -2.891  -5.603
   20   1HD   LYS   2          2HD       LYS   2   3.805  -2.990  -7.454
   21   2HD   LYS   2          3HD       LYS   2   2.593  -3.723  -6.421
   22   1HE   LYS   2          2HE       LYS   2   2.875  -0.709  -6.835
   23   2HE   LYS   2          3HE       LYS   2   1.761  -1.717  -7.737
   24   1HZ   LYS   2          1HZ       LYS   2   1.726  -1.774  -4.821
   25   2HZ   LYS   2          2HZ       LYS   2   0.965  -0.571  -5.622
   26   3HZ   LYS   2          3HZ       LYS   2   0.522  -2.123  -5.869
   27    H    ALA   3           HN       ALA   3   5.846  -3.918  -1.329
   28    HA   ALA   3           HA       ALA   3   8.003  -2.307  -2.509
   29   1HB   ALA   3          1HB       ALA   3   7.505  -3.019   0.408
   30   2HB   ALA   3          2HB       ALA   3   9.022  -2.319  -0.207
   31   3HB   ALA   3          3HB       ALA   3   7.505  -1.394  -0.320
   32    H    VAL   4           HN       VAL   4  10.159  -3.372  -2.375
   33    HA   VAL   4           HA       VAL   4   9.844  -6.193  -2.905
   34    HB   VAL   4           HB       VAL   4  11.133  -4.926  -4.448
   35   1HG1  VAL   4          1HG1      VAL   4  12.023  -3.017  -3.646
   36   2HG1  VAL   4          2HG1      VAL   4  12.243  -3.688  -2.012
   37   3HG1  VAL   4          3HG1      VAL   4  13.443  -4.026  -3.282
   38   1HG2  VAL   4          1HG2      VAL   4  11.943  -7.213  -3.881
   39   2HG2  VAL   4          2HG2      VAL   4  13.233  -6.132  -4.461
   40   3HG2  VAL   4          3HG2      VAL   4  13.084  -6.488  -2.723
   41    H    ILE   5           HN       ILE   5  11.558  -7.731  -1.964
   42    HA   ILE   5           HA       ILE   5  12.437  -6.952   0.687
   43    HB   ILE   5           HB       ILE   5  10.886  -9.494   0.482
   44   1HG1  ILE   5          2HG1      ILE   5   8.888  -8.137   1.356
   45   2HG1  ILE   5          3HG1      ILE   5   9.692  -6.726   0.698
   46   1HG2  ILE   5          1HG2      ILE   5  10.396  -8.387   2.921
   47   2HG2  ILE   5          2HG2      ILE   5  11.727  -9.513   2.563
   48   3HG2  ILE   5          3HG2      ILE   5  12.024  -7.758   2.574
   49   1HD1  ILE   5          1HD1      ILE   5   8.104  -8.659  -0.699
   50   2HD1  ILE   5          2HD1      ILE   5   8.937  -7.236  -1.371
   51   3HD1  ILE   5          3HD1      ILE   5   9.772  -8.807  -1.303
   52    H    ASN   6           HN       ASN   6  14.463  -7.713   1.030
   53    HA   ASN   6           HA       ASN   6  15.251  -9.973  -0.636
   54   1HB   ASN   6          2HB       ASN   6  16.352  -7.307  -0.521
   55   2HB   ASN   6          3HB       ASN   6  17.541  -8.383   0.186
   56   1HD2  ASN   6          1HD2      ASN   6  18.817  -9.506  -1.090
   57   2HD2  ASN   6          2HD2      ASN   6  18.630  -9.747  -2.795
   58    H    GLY   7           HN       GLY   7  16.122 -11.701   0.555
   59   1HA   GLY   7          1HA       GLY   7  17.636 -11.375   2.921
   60   2HA   GLY   7          2HA       GLY   7  15.982 -11.780   3.334
   61    H    GLU   8           HN       GLU   8  18.986 -12.903   1.834
   62    HA   GLU   8           HA       GLU   8  17.787 -15.408   1.104
   63   1HB   GLU   8          2HB       GLU   8  19.756 -14.021  -0.071
   64   2HB   GLU   8          3HB       GLU   8  20.762 -14.933   1.036
   65   1HG   GLU   8          2HG       GLU   8  19.961 -17.055   0.157
   66   2HG   GLU   8          3HG       GLU   8  18.690 -16.268  -0.759
   67    HE2  GLU   8           HE2      GLU   8  19.189 -15.946  -2.764
   68    H    GLN   9           HN       GLN   9  17.587 -17.090   2.514
   69    HA   GLN   9           HA       GLN   9  19.681 -17.855   4.176
   70   1HB   GLN   9          2HB       GLN   9  19.273 -16.195   5.760
   71   2HB   GLN   9          3HB       GLN   9  17.560 -16.112   5.401
   72   1HG   GLN   9          2HG       GLN   9  17.862 -17.150   7.599
   73   2HG   GLN   9          3HG       GLN   9  17.228 -18.347   6.487
   74   1HE2  GLN   9          1HE2      GLN   9  20.229 -17.060   7.859
   75   2HE2  GLN   9          2HE2      GLN   9  21.133 -18.537   7.857
   76    H    ILE  10           HN       ILE  10  19.439 -20.044   4.452
   77    HA   ILE  10           HA       ILE  10  16.729 -21.094   4.050
   78    HB   ILE  10           HB       ILE  10  18.600 -23.157   3.762
   79   1HG1  ILE  10          2HG1      ILE  10  19.528 -20.638   2.353
   80   2HG1  ILE  10          3HG1      ILE  10  20.404 -21.534   3.578
   81   1HG2  ILE  10          1HG2      ILE  10  17.513 -21.750   1.365
   82   2HG2  ILE  10          2HG2      ILE  10  17.548 -23.484   1.765
   83   3HG2  ILE  10          3HG2      ILE  10  16.361 -22.414   2.549
   84   1HD1  ILE  10          1HD1      ILE  10  20.351 -21.989   0.737
   85   2HD1  ILE  10          2HD1      ILE  10  21.277 -22.870   1.976
   86   3HD1  ILE  10          3HD1      ILE  10  19.639 -23.410   1.537
   87    H    ARG  11           HN       ARG  11  16.756 -20.229   6.487
   88    HA   ARG  11           HA       ARG  11  18.013 -22.149   8.208
   89   1HB   ARG  11          2HB       ARG  11  17.160 -20.696  10.043
   90   2HB   ARG  11          3HB       ARG  11  18.020 -19.750   8.845
   91   1HG   ARG  11          2HG       ARG  11  16.176 -18.500   8.422
   92   2HG   ARG  11          3HG       ARG  11  15.234 -19.932   8.056
   93   1HD   ARG  11          2HD       ARG  11  14.911 -20.280  10.562
   94   2HD   ARG  11          3HD       ARG  11  15.710 -18.743  10.831
   95    HE   ARG  11           HE       ARG  11  13.005 -19.147   9.762
   96   1HH1  ARG  11          2HH2      ARG  11  15.700 -16.904  10.060
   97   2HH1  ARG  11          1HH2      ARG  11  14.722 -15.496   9.811
   98   1HH2  ARG  11          2HH1      ARG  11  11.714 -17.290   9.434
   99   2HH2  ARG  11          1HH1      ARG  11  12.439 -15.718   9.452
  100    H    SER  12           HN       SER  12  16.012 -23.239   6.441
  101    HA   SER  12           HA       SER  12  13.641 -23.480   8.053
  102   1HB   SER  12          2HB       SER  12  14.024 -23.401   5.342
  103   2HB   SER  12          3HB       SER  12  13.964 -25.135   5.587
  104    HG   SER  12           HG       SER  12  11.926 -23.201   5.860
  105    H    ILE  13           HN       ILE  13  12.711 -25.878   8.174
  106    HA   ILE  13           HA       ILE  13  14.311 -27.333   9.848
  107    HB   ILE  13           HB       ILE  13  12.004 -28.174   8.097
  108   1HG1  ILE  13          2HG1      ILE  13  11.681 -27.954  11.019
  109   2HG1  ILE  13          3HG1      ILE  13  12.052 -26.436  10.225
  110   1HG2  ILE  13          1HG2      ILE  13  13.720 -29.758   9.909
  111   2HG2  ILE  13          2HG2      ILE  13  11.966 -29.948  10.142
  112   3HG2  ILE  13          3HG2      ILE  13  12.692 -30.269   8.549
  113   1HD1  ILE  13          1HD1      ILE  13  10.012 -28.155   8.864
  114   2HD1  ILE  13          2HD1      ILE  13   9.529 -27.422  10.412
  115   3HD1  ILE  13          3HD1      ILE  13  10.059 -26.387   9.064
  116    H    SER  14           HN       SER  14  13.498 -28.348   6.451
  117    HA   SER  14           HA       SER  14  16.246 -28.892   5.967
  118   1HB   SER  14          2HB       SER  14  14.358 -31.069   6.723
  119   2HB   SER  14          3HB       SER  14  15.301 -31.386   5.281
  120    HG   SER  14           HG       SER  14  16.285 -30.760   7.927
  121    H    ASP  15           HN       ASP  15  16.612 -29.471   3.657
  122    HA   ASP  15           HA       ASP  15  14.230 -28.959   2.057
  123   1HB   ASP  15          2HB       ASP  15  16.729 -27.480   2.206
  124   2HB   ASP  15          3HB       ASP  15  16.577 -28.174   0.604
  125    HD2  ASP  15           HD2      ASP  15  16.469 -25.900   0.106
  126    H    LEU  16           HN       LEU  16  15.790 -31.453   3.012
  127    HA   LEU  16           HA       LEU  16  17.456 -32.584   1.259
  128   1HB   LEU  16          2HB       LEU  16  15.447 -33.505   3.145
  129   2HB   LEU  16          3HB       LEU  16  15.641 -34.625   1.811
  130    HG   LEU  16           HG       LEU  16  17.064 -35.218   3.704
  131   1HD1  LEU  16          1HD1      LEU  16  18.473 -34.331   1.183
  132   2HD1  LEU  16          2HD1      LEU  16  19.283 -35.254   2.472
  133   3HD1  LEU  16          3HD1      LEU  16  17.887 -35.954   1.618
  134   1HD2  LEU  16          1HD2      LEU  16  17.573 -33.280   4.859
  135   2HD2  LEU  16          2HD2      LEU  16  19.120 -33.666   4.066
  136   3HD2  LEU  16          3HD2      LEU  16  18.064 -32.403   3.389
  137    H    HIS  17           HN       HIS  17  13.836 -32.714   0.921
  138    HA   HIS  17           HA       HIS  17  14.299 -33.245  -1.919
  139   1HB   HIS  17          2HB       HIS  17  12.472 -34.340   0.062
  140   2HB   HIS  17          3HB       HIS  17  11.599 -33.716  -1.324
  141    HD1  HIS  17           HD1      HIS  17  14.946 -35.598  -1.192
  142    HD2  HIS  17           HD2      HIS  17  11.116 -35.908  -2.875
  143    HE1  HIS  17           HE1      HIS  17  14.986 -37.667  -2.685
  144    H    GLN  18           HN       GLN  18  14.536 -30.590  -0.658
  145    HA   GLN  18           HA       GLN  18  12.433 -29.327  -2.207
  146   1HB   GLN  18          2HB       GLN  18  12.737 -29.196   0.693
  147   2HB   GLN  18          3HB       GLN  18  12.908 -27.598  -0.007
  148   1HG   GLN  18          2HG       GLN  18  10.675 -29.216  -1.145
  149   2HG   GLN  18          3HG       GLN  18  10.491 -28.814   0.551
  150   1HE2  GLN  18          1HE2      GLN  18   8.775 -27.851  -1.347
  151   2HE2  GLN  18          2HE2      GLN  18   8.954 -26.138  -1.532
  152    H    THR  19           HN       THR  19  13.036 -27.248  -3.108
  153    HA   THR  19           HA       THR  19  15.877 -26.571  -2.764
  154    HB   THR  19           HB       THR  19  15.835 -26.148  -5.300
  155    HG1  THR  19           HG1      THR  19  13.358 -26.234  -5.138
  156   1HG2  THR  19          1HG2      THR  19  15.684 -28.822  -3.965
  157   2HG2  THR  19          2HG2      THR  19  15.353 -28.829  -5.714
  158   3HG2  THR  19          3HG2      THR  19  16.900 -28.195  -5.103
  159    H    LEU  20           HN       LEU  20  16.427 -24.347  -3.192
  160    HA   LEU  20           HA       LEU  20  16.081 -22.202  -2.751
  161   1HB   LEU  20          2HB       LEU  20  15.530 -22.041  -5.003
  162   2HB   LEU  20          3HB       LEU  20  13.990 -22.851  -4.798
  163    HG   LEU  20           HG       LEU  20  13.339 -20.765  -3.378
  164   1HD1  LEU  20          1HD1      LEU  20  15.797 -19.962  -3.478
  165   2HD1  LEU  20          2HD1      LEU  20  15.374 -19.378  -5.105
  166   3HD1  LEU  20          3HD1      LEU  20  14.490 -18.771  -3.685
  167   1HD2  LEU  20          1HD2      LEU  20  12.724 -19.534  -5.514
  168   2HD2  LEU  20          2HD2      LEU  20  13.583 -20.825  -6.388
  169   3HD2  LEU  20          3HD2      LEU  20  12.173 -21.221  -5.377