*HEADER    PLANT PROTEIN                           06-AUG-12   2LWV              
*TITLE     NMR SOLUTION STRUCTURE OF PAWS DERIVED PEPTIDE 6 (PDP-6)              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PAWS DERIVED PEPTIDE 6 (PDP-6);                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    PLANT PEPTIDE, PAWS DERIVED, CYCLIC PEPTIDE, PLANT PROTEIN            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.G.ELLIOTT, J.S.MYLNE, K.ROSENGREN                                   
*REVDAT   1   21-AUG-13 2LWV    0                                                


#H Proton - H Proton
 10 ALA  HA     11 THR  H       3.27            #peak 2
 11 THR  H      11 THR  HB      3.24            #peak 3
 11 THR  HB     12 GLU  H       4.23            #peak 8
 11 THR  HA     12 GLU  H       2.77            #peak 9
 12 GLU  H      12 GLU  HB2     3.64            #peak 10
 12 GLU  H      12 GLU  HB3     3.64            #peak 11
 10 ALA  H      11 THR  H       3.70            #peak 15
 12 GLU  HA     13 ILE  H       2.96            #peak 16
 13 ILE  HA     14 CYSS H       2.83            #peak 18
  2 HIS  H       2 HIS  HB3     3.48            #peak 32
  2 HIS  H       2 HIS  HB2     3.36            #peak 33
  2 HIS  HB2     3 CYSS H       4.17            #peak 34
  2 HIS  HB3     3 CYSS H       4.17            #peak 35
  3 CYSS H       3 CYSS HB2     3.55            #peak 36
  2 HIS  HA      3 CYSS H       2.96            #peak 38
  1 GLY  H      17 ASP  HA      3.58            #peak 41
 17 ASP  H      17 ASP  HB2     4.01            #peak 42
 17 ASP  H      17 ASP  HB3     4.01            #peak 43
  3 CYSS HA      4 ILE  H       3.02            #peak 44
  3 CYSS HB3     4 ILE  H       3.67            #peak 45
  3 CYSS HB2     4 ILE  H       4.29            #peak 46
  4 ILE  H      13 ILE  H       3.73            #peak 50
  3 CYSS H       4 ILE  H       4.85            #peak 52
  4 ILE  H       4 ILE  HB      4.17            #peak 53
 14 CYSS H      14 CYSS HB3     3.92            #peak 55
 14 CYSS H      14 CYSS HB2     3.92            #peak 56
  3 CYSS HA     14 CYSS HA      3.11            #peak 58
  3 CYSS HA     15 PHE  H       3.83            #peak 60
  4 ILE  H      14 CYSS HA      3.95            #peak 62
  4 ILE  HA      5 GLN  H       2.87            #peak 67
  5 GLN  HA      6 VAL  H       2.87            #peak 69
  5 GLN  H       6 VAL  H       5.50            #peak 71
  5 GLN  H       5 GLN  HB3     3.79            #peak 74
  5 GLN  H       5 GLN  HB2     3.79            #peak 75
  6 VAL  H       6 VAL  HB      4.07            #peak 76
 16 SER  QB     17 ASP  H       5.48            #peak 80
  9 MET  HA     10 ALA  H       3.50            #peak 82
 15 PHE  HA     16 SER  H       3.02            #peak 84
 15 PHE  H      15 PHE  HB2     3.95            #peak 86
 15 PHE  H      15 PHE  HB3     3.95            #peak 87
 14 CYSS HA     15 PHE  H       2.93            #peak 88
  1 GLY  H       2 HIS  H       3.39            #peak 89
  1 GLY  H      17 ASP  H       3.27            #peak 92
 16 SER  H      17 ASP  H       3.79            #peak 93
  6 VAL  H      11 THR  H       4.07            #peak 96
  9 MET  H      10 ALA  H       5.50            #peak 97
 15 PHE  H      16 SER  H       5.10            #peak 98
 11 THR  H      12 GLU  H       4.85            #peak 101
 12 GLU  H      13 ILE  H       4.97            #peak 102
 13 ILE  H      14 CYSS H       4.97            #peak 103
  4 ILE  H       5 GLN  H       5.50            #peak 104
  7 PRO  HA      8 PRO  HA      2.93            #peak 112
  7 PRO  HA      9 MET  H       3.42            #peak 113
  8 PRO  HA      9 MET  H       3.33            #peak 114
 15 PHE  HB3    16 SER  H       3.86            #peak 176
 15 PHE  HB2    16 SER  H       3.86            #peak 177
 15 PHE  HB2    17 ASP  H       3.95            #peak 178
 15 PHE  HB3    17 ASP  H       3.95            #peak 179
  7 PRO  HB3     9 MET  H       5.07            #peak 181
  7 PRO  HB2     9 MET  H       5.28            #peak 185
  9 MET  QB     10 ALA  H       6.38            #peak 186
 13 ILE  H      13 ILE  HB      3.83            #peak 227
  2 HIS  H      17 ASP  HA      4.72            #peak 291
  5 GLN  HA     11 THR  H       5.04            #peak 292
  5 GLN  HB2     6 VAL  H       4.57            #peak 305
  5 GLN  HB3     6 VAL  H       4.57            #peak 306
  2 HIS  H      15 PHE  H       4.69            #peak 308
  2 HIS  H       3 CYSS H       4.66            #peak 310
  7 PRO  HB2     8 PRO  HA      3.86            #peak 324
  7 PRO  HB3     8 PRO  HA      3.73            #peak 325
  4 ILE  HB      5 GLN  H       3.11            #peak 339
  2 HIS  HA      3 CYSS HB2     5.50            #peak 376
  3 CYSS HA     13 ILE  H       5.50            #peak 388
  4 ILE  H      15 PHE  H       5.50            #peak 392
 12 GLU  H      12 GLU  QG      6.38            #peak 12
  9 MET  H       9 MET  QG      6.38            #peak 19
 13 ILE  H      13 ILE  HG12    5.50            #peak 21
 13 ILE  H      13 ILE  HG13    5.50            #peak 22
  4 ILE  H      13 ILE  HB      5.50            #peak 63
  5 GLN  H       5 GLN  HG2     5.50            #peak 72
  5 GLN  H       5 GLN  HG3     5.50            #peak 73
  6 VAL  HA      7 PRO  HD3     3.55            #peak 125
 15 PHE  HA     15 PHE  QD      7.35            #peak 145
 14 CYSS HA     15 PHE  QD      7.63            #peak 147
  3 CYSS HA     15 PHE  QD      7.63            #peak 148
 14 CYSS HA     15 PHE  QE      7.63            #peak 149
  2 HIS  HB3    15 PHE  QD      7.63            #peak 152
  2 HIS  HB2    15 PHE  QD      7.63            #peak 153
  4 ILE  HG13   15 PHE  QD      7.63            #peak 164
  4 ILE  HG12   15 PHE  QD      7.63            #peak 166
  4 ILE  HB     15 PHE  QE      7.63            #peak 167
  3 CYSS HA     15 PHE  QE      7.63            #peak 168
 15 PHE  H      15 PHE  QD      7.47            #peak 169
  4 ILE  H      15 PHE  QD      7.63            #peak 171
 14 CYSS H      15 PHE  QD      7.10            #peak 173
  4 ILE  H      15 PHE  QE      7.63            #peak 174
 15 PHE  QD     16 SER  H       7.63            #peak 175
  6 VAL  HB      7 PRO  HD3     4.38            #peak 192
  6 VAL  HB      7 PRO  HD2     3.83            #peak 197
  4 ILE  HG12   13 ILE  H       5.50            #peak 228
 13 ILE  HB     15 PHE  QE      7.63            #peak 229
  6 VAL  H      11 THR  HB      5.50            #peak 262
  2 HIS  H      15 PHE  HB3     5.50            #peak 294
  1 GLY  H      17 ASP  HB3     5.50            #peak 297
  9 MET  QG     10 ALA  H       6.38            #peak 298
  1 GLY  H      17 ASP  HB2     5.50            #peak 299
 14 CYSS H      15 PHE  QE      7.63            #peak 309
 13 ILE  HG13   14 CYSS H       5.50            #peak 335
  4 ILE  HG13   13 ILE  H       5.50            #peak 336
 13 ILE  HG12   14 CYSS H       5.50            #peak 338
  6 VAL  H       7 PRO  HD3     5.50            #peak 349
  3 CYSS HB3    13 ILE  H       5.50            #peak 386
  8 PRO  HG3     9 MET  H       5.50            #peak 387
  2 HIS  H      15 PHE  HB2     5.50            #peak 393
  2 HIS  HE1    15 PHE  HB2     5.50            #peak 394
  2 HIS  HE1    15 PHE  HB3     5.50            #peak 395
 11 THR  H      11 THR  QG2     6.52            #peak 5
 11 THR  QG2    12 GLU  H       5.31            #peak 13
 13 ILE  H      13 ILE  QD1     6.52            #peak 23
 13 ILE  H      13 ILE  QG2     6.52            #peak 24
 13 ILE  QD1    14 CYSS H       6.52            #peak 25
 10 ALA  QB     11 THR  H       6.46            #peak 54
  4 ILE  H       4 ILE  QD1     6.52            #peak 66
  6 VAL  H       6 VAL  QG1     6.27            #peak 77
  6 VAL  H       6 VAL  QG2     6.27            #peak 78
 13 ILE  QD1    15 PHE  QE      8.65            #peak 156
 13 ILE  QD1    15 PHE  QD      8.65            #peak 157
 13 ILE  QG2    15 PHE  QE      8.65            #peak 158
 13 ILE  QG2    15 PHE  QD      8.65            #peak 159
  4 ILE  QD1    15 PHE  QD      8.65            #peak 161
  4 ILE  QD1    15 PHE  QE      8.65            #peak 162
  4 ILE  QD1     5 GLN  H       6.52            #peak 187
 13 ILE  HA     13 ILE  QD1     6.49            #peak 226
 13 ILE  QG2    13 ILE  QD1     7.54            #peak 249
  4 ILE  H      13 ILE  QD1     6.52            #peak 318
  4 ILE  HA      4 ILE  QD1     6.52            #peak 323
 13 ILE  QG2    14 CYSS H       6.15            #peak 334
  6 VAL  H      11 THR  QG2     6.52            #peak 337
  6 VAL  QG1     7 PRO  HD2     6.52            #peak 342
  6 VAL  QG1     7 PRO  HD3     6.52            #peak 357
  6 VAL  QG2     7 PRO  HD2     6.52            #peak 358
  6 VAL  QG2     7 PRO  HD3     6.52            #peak 359
  5 GLN  HA      6 VAL  QG2     6.52            #peak 364
  5 GLN  HA      6 VAL  QG1     6.52            #peak 365
  9 MET  QG     10 ALA  QB      7.40            #peak 371
  4 ILE  H       4 ILE  QG2     6.52            #peak 377
  4 ILE  QG2    15 PHE  QD      8.65            #peak 380
  4 ILE  QG2    15 PHE  QE      8.65            #peak 381
  4 ILE  QG2     5 GLN  H       6.52            #peak 382
  4 ILE  H      13 ILE  QG2     6.52            #peak 384
  1 GLY  H      15 PHE  QB      5.34            #peak 296
  2 HIS  H      14 CYSS QB      5.34            #peak 293
  4 ILE  H       4 ILE  QG1     4.19            #peak 65
  4 ILE  QG1     5 GLN  H       5.34            #peak 188
  4 ILE  QG1    15 PHE  QE      6.35            #peak 163
  5 GLN  H       5 GLN  QB      3.02            #peak 75
  5 GLN  HA      6 VAL  QQG     5.72            #peak 364
  5 GLN  QB      6 VAL  H       3.97            #peak 306
  5 GLN  QG      6 VAL  H       5.34            #peak 304
  5 GLN  QG      6 VAL  QQG     4.48            #peak 214
  6 VAL  QQG    11 THR  H       6.42            #peak 319
  6 VAL  QQG    11 THR  HA      6.42            #peak 266
  6 VAL  QQG    11 THR  HB      5.26            #peak 360
  6 VAL  QQG    11 THR  QG2     7.30            #peak 352
 12 GLU  H      12 GLU  QB      3.17            #peak 11
 12 GLU  QB     13 ILE  H       3.42            #peak 184
 13 ILE  QG1    15 PHE  QE      6.20            #peak 160
 14 CYSS H      14 CYSS QB      3.33            #peak 55
 14 CYSS QB     15 PHE  H       3.74            #peak 302
 14 CYSS QB     15 PHE  QE      7.32            #peak 295
 15 PHE  H      15 PHE  QB      3.21            #peak 87
 15 PHE  QB     16 SER  H       3.08            #peak 177
 15 PHE  QB     17 ASP  H       3.41            #peak 178
 17 ASP  H      17 ASP  QB      3.26            #peak 43

#Dihedral angles
   3   CYSS  PHI    -165.5  -113.3
   3   CYSS  PSI     134.4   185.0
   4   ILE  PHI    -167.9   -81.8
   4   ILE  PSI      98.6   176.7
   5   GLN  PHI    -146.3   -66.7
   5   GLN  PSI     104.2   165.8
   6   VAL  PHI    -150.0   -94.1
   6   VAL  PSI      65.7   172.1
   7   PRO  PSI     119.8   167.3
   8   PRO  PSI     122.2   179.0
  9   MET  PHI     -81.7   -41.7
  9   MET  PSI     -51.7     1.8
  10   ALA  PHI    -165.1   -39.0
  10   ALA  PSI      70.6   151.8
  11   THR  PHI    -118.9   -45.8
  12   GLU  PHI    -182.4   -63.1
  12   GLU  PSI      82.1   192.6
  13   ILE  PHI    -132.2   -92.2
  13   ILE  PSI     112.3   152.3
  14   CYSS  PHI    -157.1   -87.2
  14   CYSS  PSI     115.7   161.5
  15   PHE  PHI    -175.7   -41.8
  15   PHE  PSI      97.4   198.8
  16   SER  PHI     -84.8   -30.2
  16   SER  PSI     -59.1     1.2
  17   ASP  PHI    -115.3   -53.0
  17   ASP  PSI     -59.5    32.9
  3    CYSS CHI1    -90     -30
  17   ASP  CHI1     30      90
  2    HIS  CHI1    -210    -150
  
#Hydrogen bonds
4 ILE H 13 ILE O 2.30
4 ILE N 13 ILE O 3.30
13 ILE H 4 ILE O 2.30
13 ILE N 4 ILE O 3.30
11 THR H 9 MET O 2.30
11 THR N 9 MET O 3.30
6 VAL H 11 THR O 2.30
6 VAL N 11 THR O 3.30
15 PHE H 2 HIS O 2.30
15 PHE N 2 HIS O 3.30

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1 -11.248  -1.251  -3.303
    2    HA2  GLY   1           2HA      GLY   1 -10.035  -2.822  -4.457
    3    HA3  GLY   1           3HA      GLY   1 -10.775  -2.180  -5.916
    4    H    HIS   2           H        HIS   2  -8.806  -0.255  -3.752
    5    HA   HIS   2           HA       HIS   2  -6.731  -0.147  -5.842
    6    HB3  HIS   2           2HB      HIS   2  -8.010   1.986  -4.201
    7    HD1  HIS   2           1HD      HIS   2  -6.561   3.277  -2.668
    8    HD2  HIS   2           2HD      HIS   2  -4.539   2.138  -6.113
    9    HE1  HIS   2           1HE      HIS   2  -4.289   4.339  -2.496
   10    H    CYS   3           H        CYS   3  -4.583  -0.183  -5.228
   11    HA   CYS   3           HA       CYS   3  -3.923  -0.369  -2.396
   12    HB3  CYS   3           2HB      CYS   3  -2.606  -2.478  -2.824
   13    H    ILE   4           H        ILE   4  -1.689  -0.087  -1.948
   14    HA   ILE   4           HA       ILE   4   0.005   0.680  -4.212
   15    HB   ILE   4           HB       ILE   4   0.809   2.655  -2.810
   16   HG13  ILE   4          2HG1      ILE   4  -0.634   1.693  -0.818
   17   HG21  ILE   4          1HG2      ILE   4  -1.625   2.398  -4.430
   18   HG22  ILE   4          2HG2      ILE   4  -1.535   3.861  -3.449
   19   HG23  ILE   4          3HG2      ILE   4  -0.253   3.493  -4.603
   20   HD11  ILE   4          3HD1      ILE   4   0.014   4.488  -1.504
   21   HD12  ILE   4          1HD1      ILE   4  -1.147   4.234  -0.201
   22   HD13  ILE   4          2HD1      ILE   4   0.465   3.524  -0.096
   23    H    GLN   5           H        GLN   5   2.223   0.486  -3.848
   24    HA   GLN   5           HA       GLN   5   2.929  -1.016  -1.418
   25    HB3  GLN   5           2HB      GLN   5   4.469  -1.022  -4.010
   26    HG3  GLN   5           2HG      GLN   5   4.389  -2.900  -1.663
   27   HE21  GLN   5          1HE2      GLN   5   7.252  -3.152  -3.057
   28   HE22  GLN   5          2HE2      GLN   5   6.995  -4.500  -4.106
   29    H    VAL   6           H        VAL   6   4.515  -0.296  -0.112
   30    HA   VAL   6           HA       VAL   6   6.379   1.737  -1.029
   31    HB   VAL   6           HB       VAL   6   5.836   3.072   1.132
   32   HG11  VAL   6          1HG1      VAL   6   5.581   3.971  -1.107
   33   HG12  VAL   6          2HG1      VAL   6   4.025   3.157  -1.280
   34   HG13  VAL   6          3HG1      VAL   6   4.216   4.454  -0.100
   35   HG21  VAL   6          3HG2      VAL   6   4.195   1.303   1.895
   36   HG22  VAL   6          1HG2      VAL   6   3.623   2.969   1.952
   37   HG23  VAL   6          2HG2      VAL   6   3.106   1.903   0.645
   38    HA   PRO   7           HA       PRO   7   9.149  -0.226   1.754
   39    HB3  PRO   7           2HB      PRO   7  10.787   1.160   0.934
   40    HG3  PRO   7           2HG      PRO   7  10.329   3.378   0.407
   41    HD3  PRO   7           2HD      PRO   7   8.605   2.340  -0.713
   42    HA   PRO   8           HA       PRO   8  10.545  -0.869   3.285
   43    HB3  PRO   8           2HB      PRO   8  10.994  -1.518   5.443
   44    HG3  PRO   8           2HG      PRO   8   9.355  -1.427   7.090
   45    HD3  PRO   8           2HD      PRO   8   9.161   0.697   6.218
   46    H    MET   9           H        MET   9  10.474  -3.140   2.460
   47    HA   MET   9           HA       MET   9   8.651  -3.557   0.507
   48    HB3  MET   9           2HB      MET   9  10.616  -4.936   0.666
   49    HG3  MET   9           2HG      MET   9   9.387  -6.452   2.941
   50    HE1  MET   9           3HE      MET   9  11.552  -6.781   4.599
   51    HE2  MET   9           1HE      MET   9  12.485  -8.199   4.120
   52    HE3  MET   9           2HE      MET   9  13.174  -6.588   3.933
   53    H    ALA  10           H        ALA  10   8.302  -4.459   3.893
   54    HA   ALA  10           HA       ALA  10   5.706  -5.681   3.399
   55    HB1  ALA  10           1HB      ALA  10   5.793  -6.506   5.572
   56    HB2  ALA  10           2HB      ALA  10   7.481  -6.529   5.059
   57    HB3  ALA  10           3HB      ALA  10   6.897  -5.240   6.113
   58    H    THR  11           H        THR  11   4.985  -3.486   2.569
   59    HA   THR  11           HA       THR  11   3.355  -2.256   4.569
   60    HB   THR  11           HB       THR  11   5.100  -0.233   3.260
   61    HG1  THR  11           1HG      THR  11   5.917  -1.503   5.666
   62   HG21  THR  11          3HG2      THR  11   3.045  -0.066   4.994
   63   HG22  THR  11          1HG2      THR  11   4.337   1.132   4.901
   64   HG23  THR  11          2HG2      THR  11   4.394  -0.134   6.127
   65    H    GLU  12           H        GLU  12   1.636  -2.715   3.234
   66    HA   GLU  12           HA       GLU  12   1.493  -1.113   0.771
   67    HB3  GLU  12           2HB      GLU  12  -0.132  -3.148   0.115
   68    HG3  GLU  12           2HG      GLU  12   2.845  -3.032  -0.258
   69    H    ILE  13           H        ILE  13  -0.136   0.277   0.806
   70    HA   ILE  13           HA       ILE  13  -2.253  -0.056   2.789
   71    HB   ILE  13           HB       ILE  13  -1.681   2.305   0.995
   72   HG13  ILE  13          2HG1      ILE  13   0.132   1.743   2.643
   73   HG21  ILE  13          1HG2      ILE  13  -3.979   2.288   1.694
   74   HG22  ILE  13          2HG2      ILE  13  -3.512   1.972   3.364
   75   HG23  ILE  13          3HG2      ILE  13  -3.117   3.520   2.617
   76   HD11  ILE  13          3HD1      ILE  13   0.577   3.902   2.689
   77   HD12  ILE  13          1HD1      ILE  13  -1.090   4.257   2.236
   78   HD13  ILE  13          2HD1      ILE  13  -0.644   4.141   3.939
   79    H    CYS  14           H        CYS  14  -3.999  -1.140   2.174
   80    HA   CYS  14           HA       CYS  14  -4.898  -0.930  -0.617
   81    HB3  CYS  14           2HB      CYS  14  -6.391  -2.943   0.284
   82    H    PHE  15           H        PHE  15  -6.487   0.457  -0.967
   83    HA   PHE  15           HA       PHE  15  -8.138   1.440   1.170
   84    HB3  PHE  15           2HB      PHE  15  -9.303   2.500  -1.001
   85    HD1  PHE  15           2HD      PHE  15  -5.645   2.928  -0.555
   86    HD2  PHE  15           1HD      PHE  15  -9.538   4.444   0.253
   87    HE1  PHE  15           2HE      PHE  15  -4.650   4.974   0.382
   88    HE2  PHE  15           1HE      PHE  15  -8.551   6.494   1.188
   89    HZ   PHE  15           HZ       PHE  15  -6.103   6.760   1.255
   90    H    SER  16           H        SER  16 -10.607   1.730   0.419
   91    HA   SER  16           HA       SER  16 -11.648  -0.971   0.372
   92    HB3  SER  16           2HB      SER  16 -13.120   1.669   0.569
   93    HG   SER  16           HG       SER  16 -14.706   0.213   1.557
   94    H    ASP  17           H        ASP  17 -11.235   1.663  -1.811
   95    HA   ASP  17           HA       ASP  17 -13.152   0.584  -3.728
   96    HB3  ASP  17           2HB      ASP  17 -12.920   3.063  -3.308
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1 -11.562  -1.427  -3.388
    2    HA2  GLY   1           2HA      GLY   1 -10.027  -2.965  -4.181
    3    HA3  GLY   1           3HA      GLY   1 -10.741  -2.508  -5.720
    4    H    HIS   2           H        HIS   2  -8.820  -0.377  -3.690
    5    HA   HIS   2           HA       HIS   2  -6.757  -0.366  -5.795
    6    HB3  HIS   2           2HB      HIS   2  -8.020   1.817  -4.215
    7    HD1  HIS   2           1HD      HIS   2  -6.566   3.133  -2.707
    8    HD2  HIS   2           2HD      HIS   2  -4.553   1.930  -6.136
    9    HE1  HIS   2           1HE      HIS   2  -4.295   4.203  -2.564
   10    H    CYS   3           H        CYS   3  -4.599  -0.383  -5.209
   11    HA   CYS   3           HA       CYS   3  -3.901  -0.482  -2.383
   12    HB3  CYS   3           2HB      CYS   3  -2.587  -2.603  -2.764
   13    H    ILE   4           H        ILE   4  -1.641  -0.233  -1.981
   14    HA   ILE   4           HA       ILE   4   0.009   0.491  -4.290
   15    HB   ILE   4           HB       ILE   4   0.846   2.491  -2.958
   16   HG13  ILE   4          2HG1      ILE   4  -0.516   1.583  -0.896
   17   HG21  ILE   4          1HG2      ILE   4  -1.705   2.233  -4.424
   18   HG22  ILE   4          2HG2      ILE   4  -1.438   3.745  -3.560
   19   HG23  ILE   4          3HG2      ILE   4  -0.283   3.213  -4.782
   20   HD11  ILE   4          3HD1      ILE   4   0.689   3.479  -0.416
   21   HD12  ILE   4          1HD1      ILE   4  -0.107   4.432  -1.669
   22   HD13  ILE   4          2HD1      ILE   4  -0.969   4.031  -0.182
   23    H    GLN   5           H        GLN   5   2.310   0.678  -3.753
   24    HA   GLN   5           HA       GLN   5   3.019  -0.997  -1.434
   25    HB3  GLN   5           2HB      GLN   5   4.670  -0.762  -3.941
   26    HG3  GLN   5           2HG      GLN   5   4.657  -2.552  -1.570
   27   HE21  GLN   5          1HE2      GLN   5   7.206  -3.319  -3.378
   28   HE22  GLN   5          2HE2      GLN   5   6.638  -4.761  -4.141
   29    H    VAL   6           H        VAL   6   4.546  -0.282  -0.051
   30    HA   VAL   6           HA       VAL   6   6.284   1.931  -0.786
   31    HB   VAL   6           HB       VAL   6   5.623   3.079   1.440
   32   HG11  VAL   6          1HG1      VAL   6   3.675   3.234  -0.853
   33   HG12  VAL   6          2HG1      VAL   6   4.085   4.509   0.297
   34   HG13  VAL   6          3HG1      VAL   6   5.283   3.956  -0.874
   35   HG21  VAL   6          3HG2      VAL   6   3.061   1.597   0.852
   36   HG22  VAL   6          1HG2      VAL   6   4.145   1.255   2.200
   37   HG23  VAL   6          2HG2      VAL   6   3.311   2.805   2.110
   38    HA   PRO   7           HA       PRO   7   9.134  -0.042   1.905
   39    HB3  PRO   7           2HB      PRO   7  10.692   1.497   1.211
   40    HG3  PRO   7           2HG      PRO   7  10.100   3.713   0.826
   41    HD3  PRO   7           2HD      PRO   7   8.460   2.647  -0.393
   42    HA   PRO   8           HA       PRO   8  10.529  -0.722   3.410
   43    HB3  PRO   8           2HB      PRO   8  10.982  -1.499   5.523
   44    HG3  PRO   8           2HG      PRO   8   9.316  -1.611   7.143
   45    HD3  PRO   8           2HD      PRO   8   9.020   0.556   6.420
   46    H    MET   9           H        MET   9  10.598  -2.901   2.393
   47    HA   MET   9           HA       MET   9   8.809  -3.274   0.402
   48    HB3  MET   9           2HB      MET   9   9.502  -5.689   0.386
   49    HG3  MET   9           2HG      MET   9  11.978  -5.268   0.238
   50    HE1  MET   9           3HE      MET   9  11.749  -6.288  -1.634
   51    HE2  MET   9           1HE      MET   9  10.936  -5.818  -3.127
   52    HE3  MET   9           2HE      MET   9  12.548  -5.199  -2.770
   53    H    ALA  10           H        ALA  10   8.508  -4.453   3.703
   54    HA   ALA  10           HA       ALA  10   6.006  -5.811   3.097
   55    HB1  ALA  10           1HB      ALA  10   7.857  -6.616   4.728
   56    HB2  ALA  10           2HB      ALA  10   7.103  -5.495   5.860
   57    HB3  ALA  10           3HB      ALA  10   6.163  -6.819   5.172
   58    H    THR  11           H        THR  11   5.132  -3.624   2.422
   59    HA   THR  11           HA       THR  11   3.426  -2.651   4.503
   60    HB   THR  11           HB       THR  11   5.039  -0.448   3.304
   61    HG1  THR  11           1HG      THR  11   6.785  -1.245   4.198
   62   HG21  THR  11          3HG2      THR  11   4.003  -0.729   6.111
   63   HG22  THR  11          1HG2      THR  11   2.964  -0.203   4.787
   64   HG23  THR  11          2HG2      THR  11   4.386   0.745   5.223
   65    H    GLU  12           H        GLU  12   1.675  -3.035   3.230
   66    HA   GLU  12           HA       GLU  12   1.501  -1.485   0.730
   67    HB3  GLU  12           2HB      GLU  12  -0.371  -3.601   0.627
   68    HG3  GLU  12           2HG      GLU  12   2.141  -2.937  -0.833
   69    H    ILE  13           H        ILE  13  -0.104  -0.055   0.624
   70    HA   ILE  13           HA       ILE  13  -2.162  -0.130   2.722
   71    HB   ILE  13           HB       ILE  13  -1.287   2.183   0.987
   72   HG13  ILE  13          2HG1      ILE  13  -0.360   3.088   3.099
   73   HG21  ILE  13          1HG2      ILE  13  -3.456   2.742   1.470
   74   HG22  ILE  13          2HG2      ILE  13  -3.467   1.841   2.985
   75   HG23  ILE  13          3HG2      ILE  13  -2.639   3.395   2.890
   76   HD11  ILE  13          3HD1      ILE  13  -1.734   1.826   4.697
   77   HD12  ILE  13          1HD1      ILE  13  -0.878   0.353   4.240
   78   HD13  ILE  13          2HD1      ILE  13  -0.005   1.674   5.016
   79    H    CYS  14           H        CYS  14  -4.098  -0.838   2.149
   80    HA   CYS  14           HA       CYS  14  -4.940  -0.539  -0.658
   81    HB3  CYS  14           2HB      CYS  14  -6.574  -2.413  -0.037
   82    H    PHE  15           H        PHE  15  -6.981   0.241  -1.134
   83    HA   PHE  15           HA       PHE  15  -8.294   1.671   1.071
   84    HB3  PHE  15           2HB      PHE  15  -9.439   2.824  -1.005
   85    HD1  PHE  15           1HD      PHE  15  -5.796   2.535  -0.236
   86    HD2  PHE  15           2HD      PHE  15  -9.213   5.052  -0.546
   87    HE1  PHE  15           1HE      PHE  15  -4.448   4.451   0.516
   88    HE2  PHE  15           2HE      PHE  15  -7.871   6.973   0.203
   89    HZ   PHE  15           HZ       PHE  15  -5.485   6.673   0.734
   90    H    SER  16           H        SER  16 -10.758   2.084   0.380
   91    HA   SER  16           HA       SER  16 -11.952  -0.554   0.405
   92    HB3  SER  16           2HB      SER  16 -13.321   2.142   0.553
   93    HG   SER  16           HG       SER  16 -14.218  -0.279   1.679
   94    H    ASP  17           H        ASP  17 -10.925   1.361  -2.001
   95    HA   ASP  17           HA       ASP  17 -13.136   0.608  -3.801
   96    HB3  ASP  17           2HB      ASP  17 -12.764   3.060  -3.566
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1 -11.403  -1.466  -3.410
    2    HA2  GLY   1           2HA      GLY   1  -9.967  -2.995  -4.355
    3    HA3  GLY   1           3HA      GLY   1 -10.691  -2.461  -5.863
    4    H    HIS   2           H        HIS   2  -8.824  -0.328  -3.817
    5    HA   HIS   2           HA       HIS   2  -6.693  -0.341  -5.855
    6    HB3  HIS   2           2HB      HIS   2  -8.084   1.882  -4.447
    7    HD1  HIS   2           1HD      HIS   2  -6.603   3.033  -2.776
    8    HD2  HIS   2           2HD      HIS   2  -4.672   2.283  -6.377
    9    HE1  HIS   2           1HE      HIS   2  -4.408   4.248  -2.626
   10    H    CYS   3           H        CYS   3  -4.562  -0.268  -5.184
   11    HA   CYS   3           HA       CYS   3  -3.981  -0.206  -2.329
   12    HB3  CYS   3           2HB      CYS   3  -2.616  -2.299  -2.514
   13    H    ILE   4           H        ILE   4  -1.637  -0.115  -1.897
   14    HA   ILE   4           HA       ILE   4   0.009   0.699  -4.169
   15    HB   ILE   4           HB       ILE   4   0.787   2.726  -3.025
   16   HG13  ILE   4          2HG1      ILE   4  -0.908   1.646  -0.886
   17   HG21  ILE   4          1HG2      ILE   4  -2.157   3.087  -3.102
   18   HG22  ILE   4          2HG2      ILE   4  -0.878   4.045  -3.847
   19   HG23  ILE   4          3HG2      ILE   4  -1.360   2.506  -4.563
   20   HD11  ILE   4          3HD1      ILE   4   1.160   1.954  -0.048
   21   HD12  ILE   4          1HD1      ILE   4   1.524   3.291  -1.137
   22   HD13  ILE   4          2HD1      ILE   4   0.525   3.563   0.291
   23    H    GLN   5           H        GLN   5   2.242   0.548  -3.811
   24    HA   GLN   5           HA       GLN   5   2.965  -1.000  -1.414
   25    HB3  GLN   5           2HB      GLN   5   3.309  -2.303  -3.393
   26    HG3  GLN   5           2HG      GLN   5   4.366   0.201  -4.509
   27   HE21  GLN   5          1HE2      GLN   5   4.704  -2.935  -5.990
   28   HE22  GLN   5          2HE2      GLN   5   6.414  -2.859  -6.229
   29    H    VAL   6           H        VAL   6   4.543  -0.299  -0.086
   30    HA   VAL   6           HA       VAL   6   6.372   1.793  -0.941
   31    HB   VAL   6           HB       VAL   6   5.809   3.054   1.257
   32   HG11  VAL   6          1HG1      VAL   6   4.173   4.448   0.073
   33   HG12  VAL   6          2HG1      VAL   6   5.530   4.003  -0.965
   34   HG13  VAL   6          3HG1      VAL   6   3.978   3.180  -1.138
   35   HG21  VAL   6          3HG2      VAL   6   4.212   1.257   2.002
   36   HG22  VAL   6          1HG2      VAL   6   3.573   2.900   2.049
   37   HG23  VAL   6          2HG2      VAL   6   3.113   1.813   0.740
   38    HA   PRO   7           HA       PRO   7   9.174  -0.208   1.780
   39    HB3  PRO   7           2HB      PRO   7  10.790   1.228   1.001
   40    HG3  PRO   7           2HG      PRO   7  10.298   3.454   0.543
   41    HD3  PRO   7           2HD      PRO   7   8.588   2.422  -0.609
   42    HA   PRO   8           HA       PRO   8  10.576  -0.881   3.290
   43    HB3  PRO   8           2HB      PRO   8  11.036  -1.590   5.426
   44    HG3  PRO   8           2HG      PRO   8   9.397  -1.570   7.076
   45    HD3  PRO   8           2HD      PRO   8   9.173   0.578   6.270
   46    H    MET   9           H        MET   9  10.535  -3.122   2.391
   47    HA   MET   9           HA       MET   9   8.710  -3.501   0.430
   48    HB3  MET   9           2HB      MET   9   9.240  -6.034   0.744
   49    HG3  MET   9           2HG      MET   9  11.247  -3.902   0.156
   50    HE1  MET   9           3HE      MET   9  12.187  -6.503  -2.195
   51    HE2  MET   9           1HE      MET   9  12.697  -7.914  -1.270
   52    HE3  MET   9           2HE      MET   9  11.001  -7.435  -1.280
   53    H    ALA  10           H        ALA  10   8.386  -4.501   3.789
   54    HA   ALA  10           HA       ALA  10   5.817  -5.765   3.268
   55    HB1  ALA  10           1HB      ALA  10   7.516  -5.503   5.733
   56    HB2  ALA  10           2HB      ALA  10   5.886  -6.177   5.767
   57    HB3  ALA  10           3HB      ALA  10   7.144  -6.957   4.808
   58    H    THR  11           H        THR  11   5.047  -3.566   2.498
   59    HA   THR  11           HA       THR  11   3.401  -2.422   4.535
   60    HB   THR  11           HB       THR  11   5.103  -0.337   3.265
   61    HG1  THR  11           1HG      THR  11   6.833  -1.193   4.139
   62   HG21  THR  11          3HG2      THR  11   4.770   0.340   5.866
   63   HG22  THR  11          1HG2      THR  11   3.338  -0.654   5.603
   64   HG23  THR  11          2HG2      THR  11   3.631   0.756   4.585
   65    H    GLU  12           H        GLU  12   1.665  -2.842   3.226
   66    HA   GLU  12           HA       GLU  12   1.518  -1.259   0.747
   67    HB3  GLU  12           2HB      GLU  12  -0.189  -3.214   0.140
   68    HG3  GLU  12           2HG      GLU  12   1.786  -2.600  -1.198
   69    H    ILE  13           H        ILE  13   0.011   0.254   0.879
   70    HA   ILE  13           HA       ILE  13  -2.123  -0.001   2.855
   71    HB   ILE  13           HB       ILE  13  -1.338   2.361   1.143
   72   HG13  ILE  13          2HG1      ILE  13  -0.463   3.283   3.272
   73   HG21  ILE  13          1HG2      ILE  13  -2.749   3.550   2.957
   74   HG22  ILE  13          2HG2      ILE  13  -3.572   2.734   1.628
   75   HG23  ILE  13          3HG2      ILE  13  -3.464   1.959   3.209
   76   HD11  ILE  13          3HD1      ILE  13  -0.349   2.167   5.252
   77   HD12  ILE  13          1HD1      ILE  13  -1.900   1.580   4.656
   78   HD13  ILE  13          2HD1      ILE  13  -0.456   0.580   4.493
   79    H    CYS  14           H        CYS  14  -4.015  -0.807   2.266
   80    HA   CYS  14           HA       CYS  14  -4.849  -0.573  -0.545
   81    HB3  CYS  14           2HB      CYS  14  -6.541  -2.398   0.276
   82    H    PHE  15           H        PHE  15  -7.076  -0.116  -1.011
   83    HA   PHE  15           HA       PHE  15  -8.388   1.458   1.105
   84    HB3  PHE  15           2HB      PHE  15  -9.445   2.664  -0.942
   85    HD1  PHE  15           1HD      PHE  15  -5.767   2.232  -0.446
   86    HD2  PHE  15           2HD      PHE  15  -9.127   4.844  -0.335
   87    HE1  PHE  15           1HE      PHE  15  -4.304   4.080   0.259
   88    HE2  PHE  15           2HE      PHE  15  -7.668   6.694   0.369
   89    HZ   PHE  15           HZ       PHE  15  -5.253   6.315   0.667
   90    H    SER  16           H        SER  16 -10.823   1.820   0.420
   91    HA   SER  16           HA       SER  16 -11.975  -0.834   0.306
   92    HB3  SER  16           2HB      SER  16 -13.957   0.130   1.109
   93    HG   SER  16           HG       SER  16 -13.195   1.778   2.645
   94    H    ASP  17           H        ASP  17 -10.952   1.211  -1.994
   95    HA   ASP  17           HA       ASP  17 -13.135   0.521  -3.849
   96    HB3  ASP  17           2HB      ASP  17 -12.691   2.982  -3.431
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1 -11.421  -1.150  -3.155
    2    HA2  GLY   1           2HA      GLY   1 -10.157  -2.814  -4.104
    3    HA3  GLY   1           3HA      GLY   1 -10.889  -2.320  -5.622
    4    H    HIS   2           H        HIS   2  -8.858  -0.242  -3.655
    5    HA   HIS   2           HA       HIS   2  -6.838  -0.319  -5.797
    6    HB3  HIS   2           2HB      HIS   2  -7.990   1.905  -4.196
    7    HD1  HIS   2           1HD      HIS   2  -6.463   3.108  -2.660
    8    HD2  HIS   2           2HD      HIS   2  -4.550   1.945  -6.159
    9    HE1  HIS   2           1HE      HIS   2  -4.157   4.101  -2.527
   10    H    CYS   3           H        CYS   3  -4.674  -0.448  -5.268
   11    HA   CYS   3           HA       CYS   3  -3.897  -0.554  -2.465
   12    HB3  CYS   3           2HB      CYS   3  -2.691  -2.754  -2.902
   13    H    ILE   4           H        ILE   4  -1.665  -0.297  -2.120
   14    HA   ILE   4           HA       ILE   4   0.014   0.164  -4.471
   15    HB   ILE   4           HB       ILE   4   0.892   2.271  -3.344
   16   HG13  ILE   4          2HG1      ILE   4  -0.424   1.678  -1.194
   17   HG21  ILE   4          1HG2      ILE   4  -1.225   3.582  -4.151
   18   HG22  ILE   4          2HG2      ILE   4  -0.231   2.692  -5.302
   19   HG23  ILE   4          3HG2      ILE   4  -1.740   1.993  -4.715
   20   HD11  ILE   4          3HD1      ILE   4   0.718   3.738  -1.197
   21   HD12  ILE   4          1HD1      ILE   4  -0.416   4.448  -2.348
   22   HD13  ILE   4          2HD1      ILE   4  -0.938   4.087  -0.702
   23    H    GLN   5           H        GLN   5   2.328   0.483  -3.855
   24    HA   GLN   5           HA       GLN   5   2.962  -1.094  -1.449
   25    HB3  GLN   5           2HB      GLN   5   5.191  -1.392  -2.904
   26    HG3  GLN   5           2HG      GLN   5   2.826  -3.050  -3.685
   27   HE21  GLN   5          1HE2      GLN   5   4.851  -4.806  -1.883
   28   HE22  GLN   5          2HE2      GLN   5   5.914  -5.414  -3.101
   29    H    VAL   6           H        VAL   6   4.467  -0.346  -0.035
   30    HA   VAL   6           HA       VAL   6   6.110   1.952  -0.721
   31    HB   VAL   6           HB       VAL   6   5.350   3.046   1.504
   32   HG11  VAL   6          1HG1      VAL   6   3.373   3.181  -0.754
   33   HG12  VAL   6          2HG1      VAL   6   3.890   4.470   0.334
   34   HG13  VAL   6          3HG1      VAL   6   5.001   3.847  -0.887
   35   HG21  VAL   6          3HG2      VAL   6   2.831   1.534   0.834
   36   HG22  VAL   6          1HG2      VAL   6   3.926   1.093   2.144
   37   HG23  VAL   6          2HG2      VAL   6   3.089   2.646   2.178
   38    HA   PRO   7           HA       PRO   7   9.000   0.101   2.012
   39    HB3  PRO   7           2HB      PRO   7  10.494   1.722   1.362
   40    HG3  PRO   7           2HG      PRO   7   9.799   3.910   0.984
   41    HD3  PRO   7           2HD      PRO   7   8.239   2.775  -0.279
   42    HA   PRO   8           HA       PRO   8  10.395  -0.523   3.539
   43    HB3  PRO   8           2HB      PRO   8  10.844  -1.298   5.655
   44    HG3  PRO   8           2HG      PRO   8   9.153  -1.506   7.239
   45    HD3  PRO   8           2HD      PRO   8   8.767   0.651   6.528
   46    H    MET   9           H        MET   9  10.590  -2.691   2.512
   47    HA   MET   9           HA       MET   9   8.865  -3.133   0.477
   48    HB3  MET   9           2HB      MET   9  10.228  -5.398   1.934
   49    HG3  MET   9           2HG      MET   9   9.824  -4.997  -1.017
   50    HE1  MET   9           3HE      MET   9  10.698  -8.808   1.214
   51    HE2  MET   9           1HE      MET   9   9.233  -7.826   1.166
   52    HE3  MET   9           2HE      MET   9   9.565  -8.976  -0.129
   53    H    ALA  10           H        ALA  10   8.547  -4.351   3.763
   54    HA   ALA  10           HA       ALA  10   6.124  -5.817   3.091
   55    HB1  ALA  10           1HB      ALA  10   7.769  -5.560   5.586
   56    HB2  ALA  10           2HB      ALA  10   6.172  -6.307   5.602
   57    HB3  ALA  10           3HB      ALA  10   7.457  -6.993   4.609
   58    H    THR  11           H        THR  11   5.166  -3.665   2.412
   59    HA   THR  11           HA       THR  11   3.369  -2.792   4.459
   60    HB   THR  11           HB       THR  11   4.903  -0.501   3.328
   61    HG1  THR  11           1HG      THR  11   6.669  -1.232   4.243
   62   HG21  THR  11          3HG2      THR  11   4.306   0.512   5.474
   63   HG22  THR  11          1HG2      THR  11   3.598  -1.012   6.005
   64   HG23  THR  11          2HG2      THR  11   2.880  -0.126   4.659
   65    H    GLU  12           H        GLU  12   1.702  -3.298   3.098
   66    HA   GLU  12           HA       GLU  12   1.560  -1.807   0.563
   67    HB3  GLU  12           2HB      GLU  12   1.496  -4.077  -0.013
   68    HG3  GLU  12           2HG      GLU  12  -0.387  -5.522   1.131
   69    H    ILE  13           H        ILE  13   0.238  -0.126   0.626
   70    HA   ILE  13           HA       ILE  13  -1.880  -0.013   2.626
   71    HB   ILE  13           HB       ILE  13  -0.921   2.102   0.694
   72   HG13  ILE  13          2HG1      ILE  13   0.082   3.127   2.716
   73   HG21  ILE  13          1HG2      ILE  13  -3.141   1.994   2.639
   74   HG22  ILE  13          2HG2      ILE  13  -2.183   3.473   2.619
   75   HG23  ILE  13          3HG2      ILE  13  -2.983   2.919   1.147
   76   HD11  ILE  13          3HD1      ILE  13  -0.025   0.594   4.217
   77   HD12  ILE  13          1HD1      ILE  13   0.044   2.261   4.794
   78   HD13  ILE  13          2HD1      ILE  13  -1.485   1.583   4.231
   79    H    CYS  14           H        CYS  14  -3.853  -0.687   2.140
   80    HA   CYS  14           HA       CYS  14  -4.750  -0.531  -0.661
   81    HB3  CYS  14           2HB      CYS  14  -6.449  -2.303   0.172
   82    H    PHE  15           H        PHE  15  -7.027  -0.084  -1.016
   83    HA   PHE  15           HA       PHE  15  -8.196   1.572   1.124
   84    HB3  PHE  15           2HB      PHE  15  -9.300   2.734  -0.979
   85    HD1  PHE  15           1HD      PHE  15  -5.647   2.458  -0.248
   86    HD2  PHE  15           2HD      PHE  15  -9.110   4.930  -0.374
   87    HE1  PHE  15           1HE      PHE  15  -4.311   4.366   0.545
   88    HE2  PHE  15           2HE      PHE  15  -7.778   6.841   0.417
   89    HZ   PHE  15           HZ       PHE  15  -5.375   6.562   0.876
   90    H    SER  16           H        SER  16 -10.645   2.043   0.393
   91    HA   SER  16           HA       SER  16 -11.914  -0.543   0.490
   92    HB3  SER  16           2HB      SER  16 -12.676   1.408   1.862
   93    HG   SER  16           HG       SER  16 -14.254   2.622   0.185
   94    H    ASP  17           H        ASP  17 -11.261   1.865  -1.894
   95    HA   ASP  17           HA       ASP  17 -13.202   0.744  -3.766
   96    HB3  ASP  17           2HB      ASP  17 -12.945   3.207  -3.597
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -9.875  -0.778  -2.948
    2    HA2  GLY   1           2HA      GLY   1  -9.521  -3.347  -3.787
    3    HA3  GLY   1           3HA      GLY   1 -10.118  -2.527  -5.222
    4    H    HIS   2           H        HIS   2  -8.901  -0.078  -5.039
    5    HA   HIS   2           HA       HIS   2  -6.404  -0.518  -6.155
    6    HB3  HIS   2           2HB      HIS   2  -7.805   1.854  -5.030
    7    HD1  HIS   2           1HD      HIS   2  -6.362   3.129  -3.413
    8    HD2  HIS   2           2HD      HIS   2  -4.320   2.025  -6.860
    9    HE1  HIS   2           1HE      HIS   2  -4.152   4.323  -3.297
   10    H    CYS   3           H        CYS   3  -4.296  -0.390  -5.411
   11    HA   CYS   3           HA       CYS   3  -3.868  -0.157  -2.525
   12    HB3  CYS   3           2HB      CYS   3  -2.467  -2.178  -2.495
   13    H    ILE   4           H        ILE   4  -1.559   0.068  -1.970
   14    HA   ILE   4           HA       ILE   4   0.114   1.015  -4.183
   15    HB   ILE   4           HB       ILE   4   0.805   2.991  -2.897
   16   HG13  ILE   4          2HG1      ILE   4  -1.003   1.769  -0.892
   17   HG21  ILE   4          1HG2      ILE   4  -1.376   2.739  -4.448
   18   HG22  ILE   4          2HG2      ILE   4  -2.123   3.335  -2.967
   19   HG23  ILE   4          3HG2      ILE   4  -0.849   4.270  -3.750
   20   HD11  ILE   4          3HD1      ILE   4   1.592   3.126  -0.947
   21   HD12  ILE   4          1HD1      ILE   4   0.574   3.512   0.440
   22   HD13  ILE   4          2HD1      ILE   4   1.000   1.835   0.100
   23    H    GLN   5           H        GLN   5   2.296   0.718  -3.910
   24    HA   GLN   5           HA       GLN   5   3.062  -0.908  -1.593
   25    HB3  GLN   5           2HB      GLN   5   3.520  -2.031  -3.638
   26    HG3  GLN   5           2HG      GLN   5   5.316  -0.845  -5.168
   27   HE21  GLN   5          1HE2      GLN   5   4.219  -2.209  -6.539
   28   HE22  GLN   5          2HE2      GLN   5   2.711  -1.790  -7.271
   29    H    VAL   6           H        VAL   6   4.511  -0.224  -0.133
   30    HA   VAL   6           HA       VAL   6   6.323   1.962  -0.755
   31    HB   VAL   6           HB       VAL   6   5.616   3.080   1.469
   32   HG11  VAL   6          1HG1      VAL   6   4.117   4.550   0.312
   33   HG12  VAL   6          2HG1      VAL   6   5.359   4.023  -0.824
   34   HG13  VAL   6          3HG1      VAL   6   3.748   3.309  -0.885
   35   HG21  VAL   6          3HG2      VAL   6   2.978   1.803   0.788
   36   HG22  VAL   6          1HG2      VAL   6   4.057   1.173   2.033
   37   HG23  VAL   6          2HG2      VAL   6   3.380   2.793   2.191
   38    HA   PRO   7           HA       PRO   7   9.031  -0.150   1.979
   39    HB3  PRO   7           2HB      PRO   7  10.651   1.358   1.365
   40    HG3  PRO   7           2HG      PRO   7  10.135   3.596   1.008
   41    HD3  PRO   7           2HD      PRO   7   8.505   2.602  -0.283
   42    HA   PRO   8           HA       PRO   8  10.359  -0.897   3.512
   43    HB3  PRO   8           2HB      PRO   8  10.723  -1.728   5.624
   44    HG3  PRO   8           2HG      PRO   8   9.004  -1.826   7.186
   45    HD3  PRO   8           2HD      PRO   8   8.791   0.363   6.500
   46    H    MET   9           H        MET   9  10.402  -3.050   2.449
   47    HA   MET   9           HA       MET   9   8.667  -3.337   0.397
   48    HB3  MET   9           2HB      MET   9   9.277  -5.803   0.411
   49    HG3  MET   9           2HG      MET   9  11.808  -5.350   0.327
   50    HE1  MET   9           3HE      MET   9  10.871  -6.824  -1.219
   51    HE2  MET   9           1HE      MET   9   9.507  -6.432  -2.266
   52    HE3  MET   9           2HE      MET   9  11.150  -6.400  -2.908
   53    H    ALA  10           H        ALA  10   8.238  -4.595   3.659
   54    HA   ALA  10           HA       ALA  10   5.715  -5.856   2.946
   55    HB1  ALA  10           1HB      ALA  10   7.060  -7.114   4.447
   56    HB2  ALA  10           2HB      ALA  10   7.269  -5.730   5.520
   57    HB3  ALA  10           3HB      ALA  10   5.690  -6.500   5.372
   58    H    THR  11           H        THR  11   4.926  -3.625   2.311
   59    HA   THR  11           HA       THR  11   3.199  -2.655   4.381
   60    HB   THR  11           HB       THR  11   4.900  -0.476   3.262
   61    HG1  THR  11           1HG      THR  11   5.683  -1.664   5.686
   62   HG21  THR  11          3HG2      THR  11   4.353  -0.152   5.999
   63   HG22  THR  11          1HG2      THR  11   2.883  -0.807   5.283
   64   HG23  THR  11          2HG2      THR  11   3.587   0.679   4.645
   65    H    GLU  12           H        GLU  12   1.451  -2.930   3.086
   66    HA   GLU  12           HA       GLU  12   1.315  -1.229   0.690
   67    HB3  GLU  12           2HB      GLU  12  -0.319  -3.201  -0.077
   68    HG3  GLU  12           2HG      GLU  12   2.652  -3.035  -0.411
   69    H    ILE  13           H        ILE  13  -0.380   0.094   0.670
   70    HA   ILE  13           HA       ILE  13  -2.529  -0.380   2.620
   71    HB   ILE  13           HB       ILE  13  -1.859   2.214   1.231
   72   HG13  ILE  13          2HG1      ILE  13   0.010   1.490   2.650
   73   HG21  ILE  13          1HG2      ILE  13  -4.167   1.497   2.471
   74   HG22  ILE  13          2HG2      ILE  13  -3.265   2.217   3.804
   75   HG23  ILE  13          3HG2      ILE  13  -3.571   3.152   2.340
   76   HD11  ILE  13          3HD1      ILE  13  -1.311   3.506   4.377
   77   HD12  ILE  13          1HD1      ILE  13   0.347   3.434   3.780
   78   HD13  ILE  13          2HD1      ILE  13  -0.957   3.935   2.703
   79    H    CYS  14           H        CYS  14  -4.366  -1.142   1.832
   80    HA   CYS  14           HA       CYS  14  -5.034  -0.634  -0.983
   81    HB3  CYS  14           2HB      CYS  14  -6.703  -2.511  -0.606
   82    H    PHE  15           H        PHE  15  -6.411   0.960  -1.350
   83    HA   PHE  15           HA       PHE  15  -7.913   2.277   0.609
   84    HB3  PHE  15           2HB      PHE  15  -9.250   2.965  -1.625
   85    HD1  PHE  15           2HD      PHE  15  -5.553   3.165  -1.146
   86    HD2  PHE  15           1HD      PHE  15  -9.286   5.212  -1.191
   87    HE1  PHE  15           2HE      PHE  15  -4.390   5.290  -0.715
   88    HE2  PHE  15           1HE      PHE  15  -8.127   7.339  -0.762
   89    HZ   PHE  15           HZ       PHE  15  -5.676   7.380  -0.523
   90    H    SER  16           H        SER  16 -10.381   2.588   0.333
   91    HA   SER  16           HA       SER  16 -11.670   0.268   1.149
   92    HB3  SER  16           2HB      SER  16 -12.780   2.232   1.737
   93    HG   SER  16           HG       SER  16 -13.419   3.753   0.012
   94    H    ASP  17           H        ASP  17 -11.467   1.720  -2.066
   95    HA   ASP  17           HA       ASP  17 -13.288   0.163  -3.441
   96    HB3  ASP  17           2HB      ASP  17 -12.402   1.855  -4.740
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1 -10.343  -0.872  -2.572
    2    HA2  GLY   1           2HA      GLY   1  -9.742  -3.114  -3.272
    3    HA3  GLY   1           3HA      GLY   1 -10.266  -2.688  -4.895
    4    H    HIS   2           H        HIS   2  -8.984  -0.159  -5.054
    5    HA   HIS   2           HA       HIS   2  -6.530  -0.825  -6.120
    6    HB3  HIS   2           2HB      HIS   2  -7.800   1.708  -5.233
    7    HD1  HIS   2           1HD      HIS   2  -6.312   3.067  -3.731
    8    HD2  HIS   2           2HD      HIS   2  -4.296   1.538  -7.027
    9    HE1  HIS   2           1HE      HIS   2  -4.049   4.162  -3.701
   10    H    CYS   3           H        CYS   3  -4.402  -0.727  -5.418
   11    HA   CYS   3           HA       CYS   3  -3.949  -0.314  -2.550
   12    HB3  CYS   3           2HB      CYS   3  -2.550  -2.329  -2.437
   13    H    ILE   4           H        ILE   4  -1.612  -0.113  -2.027
   14    HA   ILE   4           HA       ILE   4   0.053   0.731  -4.279
   15    HB   ILE   4           HB       ILE   4   0.769   2.751  -2.916
   16   HG13  ILE   4          2HG1      ILE   4  -0.504   1.800  -0.858
   17   HG21  ILE   4          1HG2      ILE   4  -1.955   3.454  -3.543
   18   HG22  ILE   4          2HG2      ILE   4  -0.461   3.898  -4.370
   19   HG23  ILE   4          3HG2      ILE   4  -1.279   2.389  -4.776
   20   HD11  ILE   4          3HD1      ILE   4  -1.404   4.443  -0.662
   21   HD12  ILE   4          1HD1      ILE   4   0.087   3.755  -0.020
   22   HD13  ILE   4          2HD1      ILE   4   0.074   4.492  -1.622
   23    H    GLN   5           H        GLN   5   2.268   0.591  -3.915
   24    HA   GLN   5           HA       GLN   5   3.007  -0.969  -1.546
   25    HB3  GLN   5           2HB      GLN   5   4.791  -0.554  -3.921
   26    HG3  GLN   5           2HG      GLN   5   4.477  -2.667  -1.828
   27   HE21  GLN   5          1HE2      GLN   5   7.319  -2.791  -3.532
   28   HE22  GLN   5          2HE2      GLN   5   6.989  -4.169  -4.519
   29    H    VAL   6           H        VAL   6   4.453  -0.257  -0.077
   30    HA   VAL   6           HA       VAL   6   6.131   2.047  -0.655
   31    HB   VAL   6           HB       VAL   6   5.350   3.071   1.594
   32   HG11  VAL   6          1HG1      VAL   6   3.560   3.237  -0.827
   33   HG12  VAL   6          2HG1      VAL   6   3.710   4.446   0.449
   34   HG13  VAL   6          3HG1      VAL   6   5.076   4.113  -0.617
   35   HG21  VAL   6          3HG2      VAL   6   3.073   2.670   2.222
   36   HG22  VAL   6          1HG2      VAL   6   2.833   1.592   0.847
   37   HG23  VAL   6          2HG2      VAL   6   3.906   1.117   2.163
   38    HA   PRO   7           HA       PRO   7   8.959   0.060   2.049
   39    HB3  PRO   7           2HB      PRO   7  10.481   1.682   1.474
   40    HG3  PRO   7           2HG      PRO   7   9.822   3.889   1.162
   41    HD3  PRO   7           2HD      PRO   7   8.265   2.821  -0.157
   42    HA   PRO   8           HA       PRO   8  10.325  -0.636   3.571
   43    HB3  PRO   8           2HB      PRO   8  10.733  -1.488   5.666
   44    HG3  PRO   8           2HG      PRO   8   9.019  -1.727   7.218
   45    HD3  PRO   8           2HD      PRO   8   8.671   0.459   6.578
   46    H    MET   9           H        MET   9  10.506  -2.759   2.463
   47    HA   MET   9           HA       MET   9   8.801  -3.109   0.396
   48    HB3  MET   9           2HB      MET   9  10.012  -5.525   1.716
   49    HG3  MET   9           2HG      MET   9   8.760  -5.699  -0.469
   50    HE1  MET   9           3HE      MET   9  10.210  -6.411  -3.007
   51    HE2  MET   9           1HE      MET   9   8.723  -5.493  -3.244
   52    HE3  MET   9           2HE      MET   9  10.199  -5.009  -4.078
   53    H    ALA  10           H        ALA  10   8.436  -4.461   3.627
   54    HA   ALA  10           HA       ALA  10   5.999  -5.860   2.873
   55    HB1  ALA  10           1HB      ALA  10   7.444  -5.665   5.513
   56    HB2  ALA  10           2HB      ALA  10   6.000  -6.635   5.220
   57    HB3  ALA  10           3HB      ALA  10   7.500  -7.009   4.372
   58    H    THR  11           H        THR  11   5.077  -3.667   2.282
   59    HA   THR  11           HA       THR  11   3.281  -2.852   4.358
   60    HB   THR  11           HB       THR  11   4.853  -0.546   3.305
   61    HG1  THR  11           1HG      THR  11   5.684  -1.811   5.688
   62   HG21  THR  11          3HG2      THR  11   2.823  -1.020   5.255
   63   HG22  THR  11          1HG2      THR  11   3.518   0.515   4.738
   64   HG23  THR  11          2HG2      THR  11   4.251  -0.380   6.066
   65    H    GLU  12           H        GLU  12   1.571  -3.219   3.031
   66    HA   GLU  12           HA       GLU  12   1.373  -1.502   0.648
   67    HB3  GLU  12           2HB      GLU  12  -0.218  -3.520  -0.096
   68    HG3  GLU  12           2HG      GLU  12   2.769  -3.436  -0.417
   69    H    ILE  13           H        ILE  13  -0.278  -0.140   0.751
   70    HA   ILE  13           HA       ILE  13  -2.456  -0.705   2.639
   71    HB   ILE  13           HB       ILE  13  -1.796   1.940   1.343
   72   HG13  ILE  13          2HG1      ILE  13  -0.787   2.543   3.523
   73   HG21  ILE  13          1HG2      ILE  13  -3.102   2.232   3.821
   74   HG22  ILE  13          2HG2      ILE  13  -3.725   2.599   2.213
   75   HG23  ILE  13          3HG2      ILE  13  -3.987   1.003   2.919
   76   HD11  ILE  13          3HD1      ILE  13  -0.283  -0.179   4.388
   77   HD12  ILE  13          1HD1      ILE  13  -0.746   1.243   5.323
   78   HD13  ILE  13          2HD1      ILE  13  -1.982   0.276   4.519
   79    H    CYS  14           H        CYS  14  -4.431  -1.160   1.922
   80    HA   CYS  14           HA       CYS  14  -5.008  -0.718  -0.931
   81    HB3  CYS  14           2HB      CYS  14  -6.771  -2.505  -0.564
   82    H    PHE  15           H        PHE  15  -6.330   0.911  -1.348
   83    HA   PHE  15           HA       PHE  15  -7.744   2.371   0.564
   84    HB3  PHE  15           2HB      PHE  15  -9.070   3.151  -1.555
   85    HD1  PHE  15           2HD      PHE  15  -5.380   2.659  -1.257
   86    HD2  PHE  15           1HD      PHE  15  -8.620   5.390  -1.649
   87    HE1  PHE  15           2HE      PHE  15  -3.800   4.542  -1.159
   88    HE2  PHE  15           1HE      PHE  15  -7.045   7.278  -1.554
   89    HZ   PHE  15           HZ       PHE  15  -4.631   6.856  -1.307
   90    H    SER  16           H        SER  16 -10.263   2.791   0.009
   91    HA   SER  16           HA       SER  16 -11.631   0.597   1.104
   92    HB3  SER  16           2HB      SER  16 -13.681   1.883   0.642
   93    HG   SER  16           HG       SER  16 -13.126   3.165   2.202
   94    H    ASP  17           H        ASP  17 -11.821   1.948  -2.191
   95    HA   ASP  17           HA       ASP  17 -13.072  -0.534  -3.105
   96    HB3  ASP  17           2HB      ASP  17 -14.178   1.511  -3.793
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1 -11.580  -1.223  -3.514
    2    HA2  GLY   1           2HA      GLY   1 -10.050  -2.718  -4.406
    3    HA3  GLY   1           3HA      GLY   1 -10.763  -2.150  -5.908
    4    H    HIS   2           H        HIS   2  -8.795  -0.212  -3.727
    5    HA   HIS   2           HA       HIS   2  -6.746  -0.069  -5.839
    6    HB3  HIS   2           2HB      HIS   2  -7.941   2.013  -4.067
    7    HD1  HIS   2           1HD      HIS   2  -6.474   3.378  -2.636
    8    HD2  HIS   2           2HD      HIS   2  -4.487   2.035  -6.028
    9    HE1  HIS   2           1HE      HIS   2  -4.163   4.360  -2.494
   10    H    CYS   3           H        CYS   3  -4.614  -0.292  -5.298
   11    HA   CYS   3           HA       CYS   3  -3.865  -0.516  -2.490
   12    HB3  CYS   3           2HB      CYS   3  -2.735  -2.695  -2.881
   13    H    ILE   4           H        ILE   4  -1.675  -0.179  -2.095
   14    HA   ILE   4           HA       ILE   4   0.078   0.298  -4.384
   15    HB   ILE   4           HB       ILE   4   0.864   2.443  -3.256
   16   HG13  ILE   4          2HG1      ILE   4  -0.369   2.002  -1.121
   17   HG21  ILE   4          1HG2      ILE   4  -0.202   2.737  -5.293
   18   HG22  ILE   4          2HG2      ILE   4  -1.740   2.120  -4.690
   19   HG23  ILE   4          3HG2      ILE   4  -1.179   3.721  -4.203
   20   HD11  ILE   4          3HD1      ILE   4  -1.669   4.415  -1.398
   21   HD12  ILE   4          1HD1      ILE   4  -0.009   4.173  -0.851
   22   HD13  ILE   4          2HD1      ILE   4  -0.340   4.520  -2.550
   23    H    GLN   5           H        GLN   5   2.284   0.151  -3.920
   24    HA   GLN   5           HA       GLN   5   2.881  -1.091  -1.326
   25    HB3  GLN   5           2HB      GLN   5   3.401  -2.580  -3.106
   26    HG3  GLN   5           2HG      GLN   5   4.768  -0.244  -4.396
   27   HE21  GLN   5          1HE2      GLN   5   6.856  -0.868  -4.612
   28   HE22  GLN   5          2HE2      GLN   5   7.356  -2.282  -5.471
   29    H    VAL   6           H        VAL   6   4.520  -0.354  -0.037
   30    HA   VAL   6           HA       VAL   6   6.233   1.808  -0.959
   31    HB   VAL   6           HB       VAL   6   5.630   3.075   1.232
   32   HG11  VAL   6          1HG1      VAL   6   3.806   3.081  -1.172
   33   HG12  VAL   6          2HG1      VAL   6   3.913   4.369   0.030
   34   HG13  VAL   6          3HG1      VAL   6   5.304   3.993  -0.989
   35   HG21  VAL   6          3HG2      VAL   6   3.053   1.582   0.747
   36   HG22  VAL   6          1HG2      VAL   6   4.146   1.316   2.106
   37   HG23  VAL   6          2HG2      VAL   6   3.315   2.862   1.930
   38    HA   PRO   7           HA       PRO   7   9.166   0.012   1.766
   39    HB3  PRO   7           2HB      PRO   7  10.696   1.520   0.946
   40    HG3  PRO   7           2HG      PRO   7  10.078   3.706   0.456
   41    HD3  PRO   7           2HD      PRO   7   8.414   2.565  -0.659
   42    HA   PRO   8           HA       PRO   8  10.597  -0.584   3.267
   43    HB3  PRO   8           2HB      PRO   8  11.106  -1.246   5.408
   44    HG3  PRO   8           2HG      PRO   8   9.484  -1.272   7.074
   45    HD3  PRO   8           2HD      PRO   8   9.164   0.855   6.243
   46    H    MET   9           H        MET   9  10.647  -2.810   2.365
   47    HA   MET   9           HA       MET   9   8.809  -3.295   0.443
   48    HB3  MET   9           2HB      MET   9  10.183  -5.495   1.995
   49    HG3  MET   9           2HG      MET   9   8.548  -6.226   0.271
   50    HE1  MET   9           3HE      MET   9  11.489  -6.347  -2.048
   51    HE2  MET   9           1HE      MET   9  10.065  -7.219  -2.614
   52    HE3  MET   9           2HE      MET   9  10.691  -5.858  -3.544
   53    H    ALA  10           H        ALA  10   8.597  -4.312   3.809
   54    HA   ALA  10           HA       ALA  10   6.078  -5.688   3.337
   55    HB1  ALA  10           1HB      ALA  10   7.343  -5.236   6.022
   56    HB2  ALA  10           2HB      ALA  10   6.253  -6.528   5.513
   57    HB3  ALA  10           3HB      ALA  10   7.915  -6.493   4.923
   58    H    THR  11           H        THR  11   5.188  -3.533   2.582
   59    HA   THR  11           HA       THR  11   3.544  -2.455   4.665
   60    HB   THR  11           HB       THR  11   5.119  -0.319   3.304
   61    HG1  THR  11           1HG      THR  11   6.030  -1.545   5.703
   62   HG21  THR  11          3HG2      THR  11   3.073  -0.251   5.048
   63   HG22  THR  11          1HG2      THR  11   4.297   1.013   4.947
   64   HG23  THR  11          2HG2      THR  11   4.427  -0.244   6.178
   65    H    GLU  12           H        GLU  12   1.772  -2.939   3.445
   66    HA   GLU  12           HA       GLU  12   1.445  -1.383   0.970
   67    HB3  GLU  12           2HB      GLU  12  -0.047  -3.907   1.050
   68    HG3  GLU  12           2HG      GLU  12   1.822  -2.755  -1.010
   69    H    ILE  13           H        ILE  13  -0.483  -0.367   0.719
   70    HA   ILE  13           HA       ILE  13  -2.504  -0.801   2.822
   71    HB   ILE  13           HB       ILE  13  -1.433   1.344   3.170
   72   HG13  ILE  13          2HG1      ILE  13  -3.975   1.025   3.374
   73   HG21  ILE  13          1HG2      ILE  13  -0.654   1.614   0.819
   74   HG22  ILE  13          2HG2      ILE  13  -2.292   2.099   0.384
   75   HG23  ILE  13          3HG2      ILE  13  -1.356   3.073   1.516
   76   HD11  ILE  13          3HD1      ILE  13  -3.628   2.855   4.587
   77   HD12  ILE  13          1HD1      ILE  13  -2.457   3.503   3.441
   78   HD13  ILE  13          2HD1      ILE  13  -4.183   3.743   3.169
   79    H    CYS  14           H        CYS  14  -4.449  -1.386   2.131
   80    HA   CYS  14           HA       CYS  14  -5.113  -0.951  -0.706
   81    HB3  CYS  14           2HB      CYS  14  -6.789  -2.890  -0.176
   82    H    PHE  15           H        PHE  15  -6.557   0.599  -1.013
   83    HA   PHE  15           HA       PHE  15  -8.176   1.645   1.084
   84    HB3  PHE  15           2HB      PHE  15  -9.287   2.769  -1.072
   85    HD1  PHE  15           1HD      PHE  15  -5.694   2.660  -0.058
   86    HD2  PHE  15           2HD      PHE  15  -9.232   4.984  -0.513
   87    HE1  PHE  15           1HE      PHE  15  -4.511   4.630   0.824
   88    HE2  PHE  15           2HE      PHE  15  -8.054   6.956   0.369
   89    HZ   PHE  15           HZ       PHE  15  -5.690   6.781   1.037
   90    H    SER  16           H        SER  16 -10.619   2.054   0.486
   91    HA   SER  16           HA       SER  16 -11.823  -0.577   0.370
   92    HB3  SER  16           2HB      SER  16 -12.896   0.615   2.016
   93    HG   SER  16           HG       SER  16 -13.301   2.858   1.856
   94    H    ASP  17           H        ASP  17 -10.837   1.482  -1.933
   95    HA   ASP  17           HA       ASP  17 -13.089   0.858  -3.727
   96    HB3  ASP  17           2HB      ASP  17 -12.607   3.303  -3.294
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1 -10.240  -0.868  -2.512
    2    HA2  GLY   1           2HA      GLY   1  -9.667  -3.155  -3.176
    3    HA3  GLY   1           3HA      GLY   1 -10.222  -2.746  -4.793
    4    H    HIS   2           H        HIS   2  -8.973  -0.190  -4.966
    5    HA   HIS   2           HA       HIS   2  -6.533  -0.830  -6.083
    6    HB3  HIS   2           2HB      HIS   2  -7.811   1.687  -5.157
    7    HD1  HIS   2           1HD      HIS   2  -6.318   3.072  -3.689
    8    HD2  HIS   2           2HD      HIS   2  -4.328   1.542  -7.000
    9    HE1  HIS   2           1HE      HIS   2  -4.062   4.182  -3.690
   10    H    CYS   3           H        CYS   3  -4.393  -0.718  -5.423
   11    HA   CYS   3           HA       CYS   3  -3.877  -0.292  -2.569
   12    HB3  CYS   3           2HB      CYS   3  -2.481  -2.319  -2.475
   13    H    ILE   4           H        ILE   4  -1.514  -0.136  -2.107
   14    HA   ILE   4           HA       ILE   4   0.116   0.649  -4.399
   15    HB   ILE   4           HB       ILE   4   0.857   2.713  -3.118
   16   HG13  ILE   4          2HG1      ILE   4  -0.468   1.791  -1.034
   17   HG21  ILE   4          1HG2      ILE   4  -1.915   3.314  -3.760
   18   HG22  ILE   4          2HG2      ILE   4  -0.429   3.880  -4.520
   19   HG23  ILE   4          3HG2      ILE   4  -1.122   2.329  -4.988
   20   HD11  ILE   4          3HD1      ILE   4  -1.086   4.611  -1.108
   21   HD12  ILE   4          1HD1      ILE   4   0.025   3.721  -0.066
   22   HD13  ILE   4          2HD1      ILE   4   0.558   4.279  -1.653
   23    H    GLN   5           H        GLN   5   2.345   0.562  -4.035
   24    HA   GLN   5           HA       GLN   5   3.099  -1.006  -1.681
   25    HB3  GLN   5           2HB      GLN   5   5.328  -1.040  -3.174
   26    HG3  GLN   5           2HG      GLN   5   2.898  -2.722  -3.737
   27   HE21  GLN   5          1HE2      GLN   5   5.065  -4.857  -3.262
   28   HE22  GLN   5          2HE2      GLN   5   5.772  -5.052  -4.825
   29    H    VAL   6           H        VAL   6   4.442  -0.270  -0.139
   30    HA   VAL   6           HA       VAL   6   6.082   2.086  -0.605
   31    HB   VAL   6           HB       VAL   6   5.189   3.057   1.619
   32   HG11  VAL   6          1HG1      VAL   6   3.477   4.347   0.423
   33   HG12  VAL   6          2HG1      VAL   6   4.947   4.162  -0.536
   34   HG13  VAL   6          3HG1      VAL   6   3.526   3.179  -0.897
   35   HG21  VAL   6          3HG2      VAL   6   2.836   2.599   2.074
   36   HG22  VAL   6          1HG2      VAL   6   2.812   1.397   0.784
   37   HG23  VAL   6          2HG2      VAL   6   3.800   1.129   2.220
   38    HA   PRO   7           HA       PRO   7   8.847   0.111   2.173
   39    HB3  PRO   7           2HB      PRO   7  10.356   1.774   1.680
   40    HG3  PRO   7           2HG      PRO   7   9.662   3.972   1.377
   41    HD3  PRO   7           2HD      PRO   7   8.179   2.891  -0.019
   42    HA   PRO   8           HA       PRO   8  10.163  -0.587   3.733
   43    HB3  PRO   8           2HB      PRO   8  10.508  -1.466   5.828
   44    HG3  PRO   8           2HG      PRO   8   8.741  -1.761   7.311
   45    HD3  PRO   8           2HD      PRO   8   8.379   0.429   6.692
   46    H    MET   9           H        MET   9  10.427  -2.675   2.587
   47    HA   MET   9           HA       MET   9   8.800  -3.022   0.457
   48    HB3  MET   9           2HB      MET   9  10.028  -5.431   1.776
   49    HG3  MET   9           2HG      MET   9   9.877  -4.547  -1.097
   50    HE1  MET   9           3HE      MET   9   9.300  -7.950  -0.979
   51    HE2  MET   9           1HE      MET   9  10.011  -7.511  -2.533
   52    HE3  MET   9           2HE      MET   9  10.796  -8.717  -1.516
   53    H    ALA  10           H        ALA  10   8.360  -4.449   3.649
   54    HA   ALA  10           HA       ALA  10   5.981  -5.885   2.786
   55    HB1  ALA  10           1HB      ALA  10   7.437  -7.047   4.302
   56    HB2  ALA  10           2HB      ALA  10   7.358  -5.721   5.462
   57    HB3  ALA  10           3HB      ALA  10   5.922  -6.690   5.132
   58    H    THR  11           H        THR  11   5.024  -3.706   2.207
   59    HA   THR  11           HA       THR  11   3.154  -2.968   4.249
   60    HB   THR  11           HB       THR  11   4.703  -0.617   3.259
   61    HG1  THR  11           1HG      THR  11   5.463  -1.989   5.624
   62   HG21  THR  11          3HG2      THR  11   2.760  -1.260   5.362
   63   HG22  THR  11          1HG2      THR  11   3.064   0.264   4.527
   64   HG23  THR  11          2HG2      THR  11   4.081  -0.218   5.886
   65    H    GLU  12           H        GLU  12   1.492  -3.374   2.868
   66    HA   GLU  12           HA       GLU  12   1.360  -1.714   0.436
   67    HB3  GLU  12           2HB      GLU  12   1.495  -3.898  -0.390
   68    HG3  GLU  12           2HG      GLU  12  -0.249  -4.698   1.910
   69    H    ILE  13           H        ILE  13  -0.051  -0.126   0.707
   70    HA   ILE  13           HA       ILE  13  -2.277  -0.444   2.561
   71    HB   ILE  13           HB       ILE  13  -1.382   1.998   1.025
   72   HG13  ILE  13          2HG1      ILE  13  -0.498   2.758   3.201
   73   HG21  ILE  13          1HG2      ILE  13  -3.646   1.451   2.846
   74   HG22  ILE  13          2HG2      ILE  13  -2.796   2.980   3.068
   75   HG23  ILE  13          3HG2      ILE  13  -3.515   2.589   1.507
   76   HD11  ILE  13          3HD1      ILE  13  -0.184   1.223   5.038
   77   HD12  ILE  13          1HD1      ILE  13  -1.903   1.426   4.701
   78   HD13  ILE  13          2HD1      ILE  13  -1.066  -0.034   4.170
   79    H    CYS  14           H        CYS  14  -4.251  -0.966   1.912
   80    HA   CYS  14           HA       CYS  14  -4.933  -0.622  -0.932
   81    HB3  CYS  14           2HB      CYS  14  -6.657  -2.416  -0.468
   82    H    PHE  15           H        PHE  15  -6.361   0.905  -1.383
   83    HA   PHE  15           HA       PHE  15  -7.705   2.410   0.575
   84    HB3  PHE  15           2HB      PHE  15  -9.082   3.151  -1.536
   85    HD1  PHE  15           2HD      PHE  15  -5.385   2.762  -1.190
   86    HD2  PHE  15           1HD      PHE  15  -8.688   5.399  -1.700
   87    HE1  PHE  15           2HE      PHE  15  -3.856   4.686  -1.105
   88    HE2  PHE  15           1HE      PHE  15  -7.163   7.329  -1.617
   89    HZ   PHE  15           HZ       PHE  15  -4.744   6.975  -1.319
   90    H    SER  16           H        SER  16 -10.235   2.805   0.081
   91    HA   SER  16           HA       SER  16 -11.567   0.619   1.217
   92    HB3  SER  16           2HB      SER  16 -13.666   1.898   0.506
   93    HG   SER  16           HG       SER  16 -12.208   3.831   1.734
   94    H    ASP  17           H        ASP  17 -11.799   1.893  -2.106
   95    HA   ASP  17           HA       ASP  17 -13.015  -0.635  -2.949
   96    HB3  ASP  17           2HB      ASP  17 -14.061   1.579  -3.566
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1 -11.494  -1.175  -3.407
    2    HA2  GLY   1           2HA      GLY   1 -10.098  -2.723  -4.388
    3    HA3  GLY   1           3HA      GLY   1 -10.818  -2.136  -5.878
    4    H    HIS   2           H        HIS   2  -8.805  -0.208  -3.738
    5    HA   HIS   2           HA       HIS   2  -6.760  -0.131  -5.860
    6    HB3  HIS   2           2HB      HIS   2  -7.932   2.000  -4.134
    7    HD1  HIS   2           1HD      HIS   2  -6.443   3.345  -2.702
    8    HD2  HIS   2           2HD      HIS   2  -4.479   1.968  -6.096
    9    HE1  HIS   2           1HE      HIS   2  -4.124   4.306  -2.574
   10    H    CYS   3           H        CYS   3  -4.627  -0.353  -5.314
   11    HA   CYS   3           HA       CYS   3  -3.878  -0.539  -2.505
   12    HB3  CYS   3           2HB      CYS   3  -2.749  -2.734  -2.886
   13    H    ILE   4           H        ILE   4  -1.685  -0.215  -2.117
   14    HA   ILE   4           HA       ILE   4   0.070   0.212  -4.415
   15    HB   ILE   4           HB       ILE   4   0.875   2.368  -3.313
   16   HG13  ILE   4          2HG1      ILE   4  -0.379   1.969  -1.181
   17   HG21  ILE   4          1HG2      ILE   4  -1.721   2.044  -4.762
   18   HG22  ILE   4          2HG2      ILE   4  -1.155   3.645  -4.291
   19   HG23  ILE   4          3HG2      ILE   4  -0.173   2.642  -5.359
   20   HD11  ILE   4          3HD1      ILE   4  -0.162   4.133  -0.824
   21   HD12  ILE   4          1HD1      ILE   4  -0.127   4.433  -2.562
   22   HD13  ILE   4          2HD1      ILE   4  -1.665   4.426  -1.699
   23    H    GLN   5           H        GLN   5   2.304   0.183  -3.908
   24    HA   GLN   5           HA       GLN   5   2.883  -1.098  -1.325
   25    HB3  GLN   5           2HB      GLN   5   3.376  -2.467  -3.306
   26    HG3  GLN   5           2HG      GLN   5   5.338  -0.299  -4.015
   27   HE21  GLN   5          1HE2      GLN   5   3.904  -2.619  -6.145
   28   HE22  GLN   5          2HE2      GLN   5   5.345  -3.503  -6.494
   29    H    VAL   6           H        VAL   6   4.514  -0.358  -0.019
   30    HA   VAL   6           HA       VAL   6   6.187   1.849  -0.900
   31    HB   VAL   6           HB       VAL   6   5.556   3.077   1.300
   32   HG11  VAL   6          1HG1      VAL   6   5.199   4.008  -0.912
   33   HG12  VAL   6          2HG1      VAL   6   3.715   3.066  -1.091
   34   HG13  VAL   6          3HG1      VAL   6   3.810   4.347   0.120
   35   HG21  VAL   6          3HG2      VAL   6   3.408   2.740   2.180
   36   HG22  VAL   6          1HG2      VAL   6   2.909   1.745   0.813
   37   HG23  VAL   6          2HG2      VAL   6   4.066   1.116   1.985
   38    HA   PRO   7           HA       PRO   7   9.146   0.062   1.805
   39    HB3  PRO   7           2HB      PRO   7  10.650   1.605   1.008
   40    HG3  PRO   7           2HG      PRO   7   9.997   3.788   0.546
   41    HD3  PRO   7           2HD      PRO   7   8.356   2.636  -0.588
   42    HA   PRO   8           HA       PRO   8  10.579  -0.535   3.300
   43    HB3  PRO   8           2HB      PRO   8  11.094  -1.218   5.431
   44    HG3  PRO   8           2HG      PRO   8   9.469  -1.291   7.093
   45    HD3  PRO   8           2HD      PRO   8   9.119   0.841   6.291
   46    H    MET   9           H        MET   9  10.662  -2.745   2.364
   47    HA   MET   9           HA       MET   9   8.834  -3.229   0.434
   48    HB3  MET   9           2HB      MET   9  10.875  -4.463   0.439
   49    HG3  MET   9           2HG      MET   9   9.918  -5.956   2.867
   50    HE1  MET   9           3HE      MET   9  12.277  -7.553   4.105
   51    HE2  MET   9           1HE      MET   9  10.672  -7.926   3.478
   52    HE3  MET   9           2HE      MET   9  12.071  -8.844   2.921
   53    H    ALA  10           H        ALA  10   8.635  -4.290   3.784
   54    HA   ALA  10           HA       ALA  10   6.141  -5.707   3.293
   55    HB1  ALA  10           1HB      ALA  10   6.372  -6.643   5.388
   56    HB2  ALA  10           2HB      ALA  10   8.054  -6.407   4.913
   57    HB3  ALA  10           3HB      ALA  10   7.281  -5.271   6.020
   58    H    THR  11           H        THR  11   5.212  -3.564   2.557
   59    HA   THR  11           HA       THR  11   3.542  -2.538   4.642
   60    HB   THR  11           HB       THR  11   5.091  -0.359   3.319
   61    HG1  THR  11           1HG      THR  11   6.868  -1.099   4.207
   62   HG21  THR  11          3HG2      THR  11   3.664  -0.742   5.941
   63   HG22  THR  11          1HG2      THR  11   3.263   0.366   4.631
   64   HG23  THR  11          2HG2      THR  11   4.694   0.651   5.621
   65    H    GLU  12           H        GLU  12   1.759  -2.980   3.443
   66    HA   GLU  12           HA       GLU  12   1.446  -1.443   0.954
   67    HB3  GLU  12           2HB      GLU  12  -0.076  -3.949   1.062
   68    HG3  GLU  12           2HG      GLU  12   1.783  -2.797  -1.007
   69    H    ILE  13           H        ILE  13  -0.470  -0.405   0.697
   70    HA   ILE  13           HA       ILE  13  -2.496  -0.798   2.803
   71    HB   ILE  13           HB       ILE  13  -1.385   1.333   3.135
   72   HG13  ILE  13          2HG1      ILE  13  -4.142   1.663   1.928
   73   HG21  ILE  13          1HG2      ILE  13  -2.272   2.106   0.363
   74   HG22  ILE  13          2HG2      ILE  13  -1.289   3.050   1.481
   75   HG23  ILE  13          3HG2      ILE  13  -0.639   1.576   0.762
   76   HD11  ILE  13          3HD1      ILE  13  -3.208   0.705   4.569
   77   HD12  ILE  13          1HD1      ILE  13  -4.618   1.762   4.523
   78   HD13  ILE  13          2HD1      ILE  13  -4.624   0.242   3.628
   79    H    CYS  14           H        CYS  14  -4.439  -1.380   2.107
   80    HA   CYS  14           HA       CYS  14  -5.101  -0.934  -0.728
   81    HB3  CYS  14           2HB      CYS  14  -6.769  -2.862  -0.262
   82    H    PHE  15           H        PHE  15  -6.531   0.629  -1.033
   83    HA   PHE  15           HA       PHE  15  -8.132   1.700   1.058
   84    HB3  PHE  15           2HB      PHE  15  -9.256   2.814  -1.088
   85    HD1  PHE  15           2HD      PHE  15  -5.593   2.730  -0.375
   86    HD2  PHE  15           1HD      PHE  15  -9.210   4.970  -0.331
   87    HE1  PHE  15           2HE      PHE  15  -4.363   4.691   0.457
   88    HE2  PHE  15           1HE      PHE  15  -7.988   6.936   0.501
   89    HZ   PHE  15           HZ       PHE  15  -5.560   6.798   0.898
   90    H    SER  16           H        SER  16 -10.579   2.117   0.476
   91    HA   SER  16           HA       SER  16 -11.798  -0.508   0.404
   92    HB3  SER  16           2HB      SER  16 -12.948   2.250   0.879
   93    HG   SER  16           HG       SER  16 -14.758   1.271   0.415
   94    H    ASP  17           H        ASP  17 -10.822   1.519  -1.931
   95    HA   ASP  17           HA       ASP  17 -13.091   0.875  -3.699
   96    HB3  ASP  17           2HB      ASP  17 -13.028   3.192  -3.743
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1 -10.198  -1.133  -2.423
    2    HA2  GLY   1           2HA      GLY   1  -9.602  -3.258  -3.434
    3    HA3  GLY   1           3HA      GLY   1 -10.198  -2.632  -4.964
    4    H    HIS   2           H        HIS   2  -8.968  -0.101  -4.904
    5    HA   HIS   2           HA       HIS   2  -6.530  -0.601  -6.100
    6    HB3  HIS   2           2HB      HIS   2  -7.824   1.806  -4.926
    7    HD1  HIS   2           1HD      HIS   2  -6.332   3.121  -3.408
    8    HD2  HIS   2           2HD      HIS   2  -4.363   1.816  -6.825
    9    HE1  HIS   2           1HE      HIS   2  -4.082   4.241  -3.355
   10    H    CYS   3           H        CYS   3  -4.387  -0.527  -5.449
   11    HA   CYS   3           HA       CYS   3  -3.815  -0.278  -2.595
   12    HB3  CYS   3           2HB      CYS   3  -2.474  -2.361  -2.622
   13    H    ILE   4           H        ILE   4  -1.511  -0.061  -2.138
   14    HA   ILE   4           HA       ILE   4   0.148   0.650  -4.442
   15    HB   ILE   4           HB       ILE   4   0.945   2.688  -3.161
   16   HG13  ILE   4          2HG1      ILE   4  -0.233   1.882  -1.026
   17   HG21  ILE   4          1HG2      ILE   4  -1.144   2.337  -4.965
   18   HG22  ILE   4          2HG2      ILE   4  -1.783   3.432  -3.742
   19   HG23  ILE   4          3HG2      ILE   4  -0.298   3.840  -4.601
   20   HD11  ILE   4          3HD1      ILE   4  -0.533   4.027  -0.150
   21   HD12  ILE   4          1HD1      ILE   4   0.716   4.204  -1.381
   22   HD13  ILE   4          2HD1      ILE   4  -0.939   4.708  -1.725
   23    H    GLN   5           H        GLN   5   2.420   0.721  -3.983
   24    HA   GLN   5           HA       GLN   5   3.134  -0.959  -1.682
   25    HB3  GLN   5           2HB      GLN   5   3.680  -1.743  -4.016
   26    HG3  GLN   5           2HG      GLN   5   5.778   0.410  -3.882
   27   HE21  GLN   5          1HE2      GLN   5   7.569  -0.641  -4.476
   28   HE22  GLN   5          2HE2      GLN   5   7.721  -1.620  -5.892
   29    H    VAL   6           H        VAL   6   4.476  -0.248  -0.129
   30    HA   VAL   6           HA       VAL   6   6.145   2.088  -0.570
   31    HB   VAL   6           HB       VAL   6   5.256   3.061   1.652
   32   HG11  VAL   6          1HG1      VAL   6   3.419   3.255  -0.725
   33   HG12  VAL   6          2HG1      VAL   6   3.763   4.490   0.487
   34   HG13  VAL   6          3HG1      VAL   6   5.009   4.016  -0.667
   35   HG21  VAL   6          3HG2      VAL   6   2.769   1.586   0.806
   36   HG22  VAL   6          1HG2      VAL   6   3.833   1.032   2.100
   37   HG23  VAL   6          2HG2      VAL   6   3.004   2.582   2.244
   38    HA   PRO   7           HA       PRO   7   8.873   0.062   2.207
   39    HB3  PRO   7           2HB      PRO   7  10.407   1.706   1.731
   40    HG3  PRO   7           2HG      PRO   7   9.743   3.915   1.436
   41    HD3  PRO   7           2HD      PRO   7   8.251   2.862   0.029
   42    HA   PRO   8           HA       PRO   8  10.170  -0.667   3.768
   43    HB3  PRO   8           2HB      PRO   8  10.492  -1.565   5.859
   44    HG3  PRO   8           2HG      PRO   8   8.714  -1.842   7.331
   45    HD3  PRO   8           2HD      PRO   8   8.387   0.357   6.725
   46    H    MET   9           H        MET   9  10.408  -2.750   2.607
   47    HA   MET   9           HA       MET   9   8.778  -3.059   0.472
   48    HB3  MET   9           2HB      MET   9   9.587  -5.436   0.342
   49    HG3  MET   9           2HG      MET   9  12.080  -4.842   0.514
   50    HE1  MET   9           3HE      MET   9  11.802  -1.714  -0.605
   51    HE2  MET   9           1HE      MET   9  11.682  -1.755  -2.365
   52    HE3  MET   9           2HE      MET   9  10.223  -1.610  -1.385
   53    H    ALA  10           H        ALA  10   8.312  -4.485   3.655
   54    HA   ALA  10           HA       ALA  10   5.925  -5.902   2.779
   55    HB1  ALA  10           1HB      ALA  10   5.857  -6.559   5.249
   56    HB2  ALA  10           2HB      ALA  10   7.197  -7.171   4.279
   57    HB3  ALA  10           3HB      ALA  10   7.447  -5.804   5.364
   58    H    THR  11           H        THR  11   4.988  -3.719   2.196
   59    HA   THR  11           HA       THR  11   3.115  -2.965   4.230
   60    HB   THR  11           HB       THR  11   4.694  -0.629   3.247
   61    HG1  THR  11           1HG      THR  11   6.404  -1.390   4.240
   62   HG21  THR  11          3HG2      THR  11   3.884  -0.622   6.013
   63   HG22  THR  11          1HG2      THR  11   2.523  -1.028   4.968
   64   HG23  THR  11          2HG2      THR  11   3.417   0.469   4.709
   65    H    GLU  12           H        GLU  12   1.443  -3.331   2.860
   66    HA   GLU  12           HA       GLU  12   1.357  -1.712   0.400
   67    HB3  GLU  12           2HB      GLU  12   1.400  -3.922  -0.369
   68    HG3  GLU  12           2HG      GLU  12  -0.284  -4.565   2.006
   69    H    ILE  13           H        ILE  13  -0.013  -0.079   0.593
   70    HA   ILE  13           HA       ILE  13  -2.217  -0.235   2.492
   71    HB   ILE  13           HB       ILE  13  -1.267   2.098   0.828
   72   HG13  ILE  13          2HG1      ILE  13  -0.348   2.936   2.967
   73   HG21  ILE  13          1HG2      ILE  13  -3.394   1.821   2.925
   74   HG22  ILE  13          2HG2      ILE  13  -2.623   3.370   2.589
   75   HG23  ILE  13          3HG2      ILE  13  -3.511   2.534   1.315
   76   HD11  ILE  13          3HD1      ILE  13  -0.472   1.901   4.948
   77   HD12  ILE  13          1HD1      ILE  13  -1.910   1.157   4.250
   78   HD13  ILE  13          2HD1      ILE  13  -0.374   0.290   4.234
   79    H    CYS  14           H        CYS  14  -4.168  -0.856   1.868
   80    HA   CYS  14           HA       CYS  14  -4.918  -0.527  -0.960
   81    HB3  CYS  14           2HB      CYS  14  -6.610  -2.340  -0.448
   82    H    PHE  15           H        PHE  15  -6.467   0.879  -1.429
   83    HA   PHE  15           HA       PHE  15  -7.777   2.388   0.587
   84    HB3  PHE  15           2HB      PHE  15  -9.194   3.024  -1.610
   85    HD1  PHE  15           1HD      PHE  15  -5.580   3.132  -0.710
   86    HD2  PHE  15           2HD      PHE  15  -9.055   5.308  -1.852
   87    HE1  PHE  15           1HE      PHE  15  -4.351   5.243  -0.411
   88    HE2  PHE  15           2HE      PHE  15  -7.832   7.423  -1.556
   89    HZ   PHE  15           HZ       PHE  15  -5.477   7.392  -0.836
   90    H    SER  16           H        SER  16 -10.303   2.756   0.154
   91    HA   SER  16           HA       SER  16 -11.588   0.480   1.186
   92    HB3  SER  16           2HB      SER  16 -12.273   2.970   1.343
   93    HG   SER  16           HG       SER  16 -14.117   3.131  -0.339
   94    H    ASP  17           H        ASP  17 -11.502   1.849  -2.075
   95    HA   ASP  17           HA       ASP  17 -13.378   0.257  -3.330
   96    HB3  ASP  17           2HB      ASP  17 -12.556   1.914  -4.712
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1 -11.722  -0.719  -3.294
    2    HA2  GLY   1           2HA      GLY   1 -10.382  -2.419  -4.147
    3    HA3  GLY   1           3HA      GLY   1 -11.100  -1.837  -5.643
    4    H    HIS   2           H        HIS   2  -8.816  -0.042  -3.658
    5    HA   HIS   2           HA       HIS   2  -6.876  -0.230  -5.869
    6    HB3  HIS   2           2HB      HIS   2  -7.693   2.040  -4.104
    7    HD1  HIS   2           1HD      HIS   2  -5.977   3.329  -2.900
    8    HD2  HIS   2           2HD      HIS   2  -4.425   1.515  -6.302
    9    HE1  HIS   2           1HE      HIS   2  -3.558   4.013  -2.983
   10    H    CYS   3           H        CYS   3  -4.766  -0.705  -5.427
   11    HA   CYS   3           HA       CYS   3  -3.881  -0.899  -2.659
   12    HB3  CYS   3           2HB      CYS   3  -3.020  -3.235  -3.082
   13    H    ILE   4           H        ILE   4  -1.731  -0.545  -2.412
   14    HA   ILE   4           HA       ILE   4   0.039  -0.696  -4.722
   15    HB   ILE   4           HB       ILE   4   0.952   1.612  -4.136
   16   HG13  ILE   4          2HG1      ILE   4  -0.284   1.818  -1.990
   17   HG21  ILE   4          1HG2      ILE   4  -0.830   2.755  -5.491
   18   HG22  ILE   4          2HG2      ILE   4  -0.164   1.288  -6.205
   19   HG23  ILE   4          3HG2      ILE   4  -1.743   1.249  -5.423
   20   HD11  ILE   4          3HD1      ILE   4  -0.032   3.998  -2.201
   21   HD12  ILE   4          1HD1      ILE   4  -0.046   3.852  -3.959
   22   HD13  ILE   4          2HD1      ILE   4  -1.557   4.082  -3.080
   23    H    GLN   5           H        GLN   5   2.333  -0.327  -4.106
   24    HA   GLN   5           HA       GLN   5   2.817  -1.461  -1.450
   25    HB3  GLN   5           2HB      GLN   5   3.741  -2.642  -3.421
   26    HG3  GLN   5           2HG      GLN   5   5.330  -0.117  -3.769
   27   HE21  GLN   5          1HE2      GLN   5   5.251  -2.115  -6.404
   28   HE22  GLN   5          2HE2      GLN   5   6.820  -2.823  -6.264
   29    H    VAL   6           H        VAL   6   4.145  -0.510   0.049
   30    HA   VAL   6           HA       VAL   6   5.445   2.020  -0.614
   31    HB   VAL   6           HB       VAL   6   4.498   2.923   1.628
   32   HG11  VAL   6          1HG1      VAL   6   4.022   3.997  -0.455
   33   HG12  VAL   6          2HG1      VAL   6   2.870   2.737  -0.902
   34   HG13  VAL   6          3HG1      VAL   6   2.505   3.836   0.429
   35   HG21  VAL   6          3HG2      VAL   6   2.301   2.135   2.233
   36   HG22  VAL   6          1HG2      VAL   6   2.310   0.979   0.902
   37   HG23  VAL   6          2HG2      VAL   6   3.425   0.774   2.254
   38    HA   PRO   7           HA       PRO   7   8.599   0.646   2.110
   39    HB3  PRO   7           2HB      PRO   7   9.792   2.513   1.501
   40    HG3  PRO   7           2HG      PRO   7   8.731   4.554   1.158
   41    HD3  PRO   7           2HD      PRO   7   7.397   3.191  -0.137
   42    HA   PRO   8           HA       PRO   8  10.059   0.214   3.630
   43    HB3  PRO   8           2HB      PRO   8  10.617  -0.524   5.732
   44    HG3  PRO   8           2HG      PRO   8   8.977  -1.041   7.297
   45    HD3  PRO   8           2HD      PRO   8   8.249   1.043   6.632
   46    H    MET   9           H        MET   9  10.605  -1.845   2.534
   47    HA   MET   9           HA       MET   9   8.982  -2.518   0.486
   48    HB3  MET   9           2HB      MET   9  10.146  -4.804   0.530
   49    HG3  MET   9           2HG      MET   9  12.501  -3.670   0.394
   50    HE1  MET   9           3HE      MET   9  13.571  -3.324  -1.478
   51    HE2  MET   9           1HE      MET   9  13.007  -3.960  -3.023
   52    HE3  MET   9           2HE      MET   9  12.927  -2.228  -2.701
   53    H    ALA  10           H        ALA  10   8.880  -3.888   3.731
   54    HA   ALA  10           HA       ALA  10   6.715  -5.693   3.006
   55    HB1  ALA  10           1HB      ALA  10   8.480  -5.342   5.365
   56    HB2  ALA  10           2HB      ALA  10   6.890  -6.060   5.628
   57    HB3  ALA  10           3HB      ALA  10   8.020  -6.809   4.501
   58    H    THR  11           H        THR  11   5.421  -3.705   2.402
   59    HA   THR  11           HA       THR  11   3.522  -3.195   4.485
   60    HB   THR  11           HB       THR  11   4.669  -0.662   3.404
   61    HG1  THR  11           1HG      THR  11   5.703  -1.747   5.796
   62   HG21  THR  11          3HG2      THR  11   2.935  -1.551   5.606
   63   HG22  THR  11          1HG2      THR  11   2.942  -0.032   4.711
   64   HG23  THR  11          2HG2      THR  11   4.083  -0.282   6.031
   65    H    GLU  12           H        GLU  12   1.892  -3.859   3.176
   66    HA   GLU  12           HA       GLU  12   1.549  -2.459   0.610
   67    HB3  GLU  12           2HB      GLU  12  -0.084  -4.390   0.159
   68    HG3  GLU  12           2HG      GLU  12   2.619  -5.553   0.501
   69    H    ILE  13           H        ILE  13   0.123  -0.863   0.665
   70    HA   ILE  13           HA       ILE  13  -2.015  -0.906   2.663
   71    HB   ILE  13           HB       ILE  13  -2.375   1.471   1.980
   72   HG13  ILE  13          2HG1      ILE  13  -1.413   1.239  -0.304
   73   HG21  ILE  13          1HG2      ILE  13  -0.293   2.313   3.045
   74   HG22  ILE  13          2HG2      ILE  13  -1.063   0.996   3.929
   75   HG23  ILE  13          3HG2      ILE  13   0.367   0.681   2.945
   76   HD11  ILE  13          3HD1      ILE  13  -1.143   3.427  -0.324
   77   HD12  ILE  13          1HD1      ILE  13  -1.038   3.428   1.435
   78   HD13  ILE  13          2HD1      ILE  13   0.425   3.258   0.464
   79    H    CYS  14           H        CYS  14  -4.135  -1.029   2.161
   80    HA   CYS  14           HA       CYS  14  -4.872  -1.038  -0.691
   81    HB3  CYS  14           2HB      CYS  14  -6.676  -2.762   0.215
   82    H    PHE  15           H        PHE  15  -6.212   0.584  -1.084
   83    HA   PHE  15           HA       PHE  15  -7.650   1.923   0.992
   84    HB3  PHE  15           2HB      PHE  15  -8.722   2.994  -1.214
   85    HD1  PHE  15           2HD      PHE  15  -5.047   2.752  -0.625
   86    HD2  PHE  15           1HD      PHE  15  -8.564   5.141  -0.424
   87    HE1  PHE  15           2HE      PHE  15  -3.696   4.673   0.109
   88    HE2  PHE  15           1HE      PHE  15  -7.218   7.066   0.310
   89    HZ   PHE  15           HZ       PHE  15  -4.781   6.833   0.579
   90    H    SER  16           H        SER  16 -10.051   2.459   0.573
   91    HA   SER  16           HA       SER  16 -11.466  -0.067   0.530
   92    HB3  SER  16           2HB      SER  16 -13.266   1.070   1.526
   93    HG   SER  16           HG       SER  16 -11.176   1.198   2.721
   94    H    ASP  17           H        ASP  17 -10.467   1.924  -1.826
   95    HA   ASP  17           HA       ASP  17 -12.896   1.585  -3.455
   96    HB3  ASP  17           2HB      ASP  17 -11.932   3.919  -3.112
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1 -11.584  -1.209  -3.492
    2    HA2  GLY   1           2HA      GLY   1 -10.072  -2.728  -4.372
    3    HA3  GLY   1           3HA      GLY   1 -10.784  -2.170  -5.879
    4    H    HIS   2           H        HIS   2  -8.798  -0.217  -3.731
    5    HA   HIS   2           HA       HIS   2  -6.748  -0.123  -5.846
    6    HB3  HIS   2           2HB      HIS   2  -7.942   1.997  -4.125
    7    HD1  HIS   2           1HD      HIS   2  -6.471   3.334  -2.669
    8    HD2  HIS   2           2HD      HIS   2  -4.475   2.005  -6.060
    9    HE1  HIS   2           1HE      HIS   2  -4.160   4.315  -2.515
   10    H    CYS   3           H        CYS   3  -4.613  -0.329  -5.294
   11    HA   CYS   3           HA       CYS   3  -3.875  -0.521  -2.482
   12    HB3  CYS   3           2HB      CYS   3  -2.742  -2.704  -2.843
   13    H    ILE   4           H        ILE   4  -1.677  -0.198  -2.085
   14    HA   ILE   4           HA       ILE   4   0.074   0.274  -4.378
   15    HB   ILE   4           HB       ILE   4   0.871   2.414  -3.241
   16   HG13  ILE   4          2HG1      ILE   4  -0.374   1.971  -1.111
   17   HG21  ILE   4          1HG2      ILE   4  -1.179   3.695  -4.185
   18   HG22  ILE   4          2HG2      ILE   4  -0.182   2.732  -5.273
   19   HG23  ILE   4          3HG2      ILE   4  -1.721   2.096  -4.695
   20   HD11  ILE   4          3HD1      ILE   4  -1.656   4.389  -1.374
   21   HD12  ILE   4          1HD1      ILE   4   0.005   4.139  -0.838
   22   HD13  ILE   4          2HD1      ILE   4  -0.331   4.493  -2.533
   23    H    GLN   5           H        GLN   5   2.302   0.214  -3.886
   24    HA   GLN   5           HA       GLN   5   2.894  -1.076  -1.309
   25    HB3  GLN   5           2HB      GLN   5   5.084  -1.623  -2.761
   26    HG3  GLN   5           2HG      GLN   5   3.260  -3.184  -1.741
   27   HE21  GLN   5          1HE2      GLN   5   3.277  -5.102  -4.255
   28   HE22  GLN   5          2HE2      GLN   5   1.702  -4.834  -4.910
   29    H    VAL   6           H        VAL   6   4.539  -0.344  -0.019
   30    HA   VAL   6           HA       VAL   6   6.234   1.837  -0.926
   31    HB   VAL   6           HB       VAL   6   5.635   3.086   1.270
   32   HG11  VAL   6          1HG1      VAL   6   4.025   4.441   0.102
   33   HG12  VAL   6          2HG1      VAL   6   5.251   3.894  -1.044
   34   HG13  VAL   6          3HG1      VAL   6   3.666   3.122  -1.013
   35   HG21  VAL   6          3HG2      VAL   6   3.429   2.812   2.105
   36   HG22  VAL   6          1HG2      VAL   6   3.004   1.698   0.804
   37   HG23  VAL   6          2HG2      VAL   6   4.152   1.205   2.050
   38    HA   PRO   7           HA       PRO   7   9.189   0.028   1.767
   39    HB3  PRO   7           2HB      PRO   7  10.708   1.546   0.949
   40    HG3  PRO   7           2HG      PRO   7  10.081   3.734   0.477
   41    HD3  PRO   7           2HD      PRO   7   8.415   2.596  -0.637
   42    HA   PRO   8           HA       PRO   8  10.626  -0.580   3.255
   43    HB3  PRO   8           2HB      PRO   8  11.147  -1.256   5.388
   44    HG3  PRO   8           2HG      PRO   8   9.533  -1.297   7.062
   45    HD3  PRO   8           2HD      PRO   8   9.208   0.835   6.248
   46    H    MET   9           H        MET   9  10.671  -2.795   2.331
   47    HA   MET   9           HA       MET   9   8.819  -3.266   0.420
   48    HB3  MET   9           2HB      MET   9  10.788  -4.552   0.331
   49    HG3  MET   9           2HG      MET   9  10.044  -5.697   3.009
   50    HE1  MET   9           3HE      MET   9  13.397  -5.168   2.292
   51    HE2  MET   9           1HE      MET   9  13.744  -6.617   3.235
   52    HE3  MET   9           2HE      MET   9  14.117  -6.577   1.511
   53    H    ALA  10           H        ALA  10   8.636  -4.301   3.779
   54    HA   ALA  10           HA       ALA  10   6.123  -5.695   3.317
   55    HB1  ALA  10           1HB      ALA  10   7.267  -5.256   6.038
   56    HB2  ALA  10           2HB      ALA  10   6.373  -6.636   5.401
   57    HB3  ALA  10           3HB      ALA  10   8.055  -6.385   4.935
   58    H    THR  11           H        THR  11   5.211  -3.545   2.577
   59    HA   THR  11           HA       THR  11   3.575  -2.484   4.674
   60    HB   THR  11           HB       THR  11   5.134  -0.336   3.310
   61    HG1  THR  11           1HG      THR  11   6.913  -1.078   4.191
   62   HG21  THR  11          3HG2      THR  11   3.513   0.627   4.607
   63   HG22  THR  11          1HG2      THR  11   4.804   0.512   5.801
   64   HG23  THR  11          2HG2      THR  11   3.512  -0.689   5.780
   65    H    GLU  12           H        GLU  12   1.779  -2.929   3.494
   66    HA   GLU  12           HA       GLU  12   1.443  -1.401   1.002
   67    HB3  GLU  12           2HB      GLU  12   0.062  -4.031   1.299
   68    HG3  GLU  12           2HG      GLU  12   1.372  -2.910  -1.148
   69    H    ILE  13           H        ILE  13  -0.577  -0.519   0.647
   70    HA   ILE  13           HA       ILE  13  -2.555  -0.862   2.801
   71    HB   ILE  13           HB       ILE  13  -1.454   1.263   3.170
   72   HG13  ILE  13          2HG1      ILE  13  -4.032   0.946   3.304
   73   HG21  ILE  13          1HG2      ILE  13  -1.346   3.005   1.538
   74   HG22  ILE  13          2HG2      ILE  13  -0.675   1.542   0.817
   75   HG23  ILE  13          3HG2      ILE  13  -2.306   2.065   0.396
   76   HD11  ILE  13          3HD1      ILE  13  -2.485   2.940   4.183
   77   HD12  ILE  13          1HD1      ILE  13  -3.503   3.832   3.052
   78   HD13  ILE  13          2HD1      ILE  13  -4.240   2.917   4.367
   79    H    CYS  14           H        CYS  14  -4.502  -1.424   2.096
   80    HA   CYS  14           HA       CYS  14  -5.156  -0.945  -0.737
   81    HB3  CYS  14           2HB      CYS  14  -6.826  -2.874  -0.299
   82    H    PHE  15           H        PHE  15  -6.580   0.625  -1.027
   83    HA   PHE  15           HA       PHE  15  -8.184   1.676   1.072
   84    HB3  PHE  15           2HB      PHE  15  -9.299   2.824  -1.058
   85    HD1  PHE  15           2HD      PHE  15  -5.650   2.675  -0.277
   86    HD2  PHE  15           1HD      PHE  15  -9.216   4.997  -0.359
   87    HE1  PHE  15           2HE      PHE  15  -4.401   4.617   0.573
   88    HE2  PHE  15           1HE      PHE  15  -7.972   6.943   0.491
   89    HZ   PHE  15           HZ       PHE  15  -5.562   6.755   0.958
   90    H    SER  16           H        SER  16 -10.632   2.118   0.451
   91    HA   SER  16           HA       SER  16 -11.861  -0.503   0.376
   92    HB3  SER  16           2HB      SER  16 -12.701   0.994   2.049
   93    HG   SER  16           HG       SER  16 -13.618   2.825   0.132
   94    H    ASP  17           H        ASP  17 -10.848   1.512  -1.956
   95    HA   ASP  17           HA       ASP  17 -13.095   0.867  -3.749
   96    HB3  ASP  17           2HB      ASP  17 -13.025   3.183  -3.800
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1 -11.640  -1.304  -3.347
    2    HA2  GLY   1           2HA      GLY   1 -10.077  -2.789  -4.198
    3    HA3  GLY   1           3HA      GLY   1 -10.787  -2.261  -5.716
    4    H    HIS   2           H        HIS   2  -8.878  -0.236  -3.563
    5    HA   HIS   2           HA       HIS   2  -6.869  -0.007  -5.701
    6    HB3  HIS   2           2HB      HIS   2  -8.008   1.926  -3.745
    7    HD1  HIS   2           1HD      HIS   2  -6.035   2.087  -2.007
    8    HD2  HIS   2           2HD      HIS   2  -5.054   3.164  -5.899
    9    HE1  HIS   2           1HE      HIS   2  -3.843   3.309  -1.836
   10    H    CYS   3           H        CYS   3  -4.703  -0.217  -5.253
   11    HA   CYS   3           HA       CYS   3  -3.831  -0.670  -2.519
   12    HB3  CYS   3           2HB      CYS   3  -2.642  -2.816  -3.346
   13    H    ILE   4           H        ILE   4  -1.566  -0.528  -2.245
   14    HA   ILE   4           HA       ILE   4   0.085   0.065  -4.559
   15    HB   ILE   4           HB       ILE   4   0.899   2.206  -3.584
   16   HG13  ILE   4          2HG1      ILE   4  -0.824   1.398  -1.438
   17   HG21  ILE   4          1HG2      ILE   4  -2.023   2.095  -4.322
   18   HG22  ILE   4          2HG2      ILE   4  -1.030   3.551  -4.325
   19   HG23  ILE   4          3HG2      ILE   4  -0.662   2.232  -5.434
   20   HD11  ILE   4          3HD1      ILE   4   0.853   2.373  -0.378
   21   HD12  ILE   4          1HD1      ILE   4   1.406   3.149  -1.861
   22   HD13  ILE   4          2HD1      ILE   4   0.184   3.932  -0.857
   23    H    GLN   5           H        GLN   5   2.384   0.379  -3.945
   24    HA   GLN   5           HA       GLN   5   3.016  -1.160  -1.516
   25    HB3  GLN   5           2HB      GLN   5   5.263  -1.443  -2.926
   26    HG3  GLN   5           2HG      GLN   5   2.772  -3.041  -3.471
   27   HE21  GLN   5          1HE2      GLN   5   3.076  -5.057  -4.375
   28   HE22  GLN   5          2HE2      GLN   5   4.522  -5.495  -5.214
   29    H    VAL   6           H        VAL   6   4.472  -0.375  -0.077
   30    HA   VAL   6           HA       VAL   6   6.100   1.938  -0.750
   31    HB   VAL   6           HB       VAL   6   5.280   3.042   1.449
   32   HG11  VAL   6          1HG1      VAL   6   5.010   4.054  -0.735
   33   HG12  VAL   6          2HG1      VAL   6   3.591   3.052  -1.050
   34   HG13  VAL   6          3HG1      VAL   6   3.543   4.278   0.217
   35   HG21  VAL   6          3HG2      VAL   6   3.808   0.923   1.850
   36   HG22  VAL   6          1HG2      VAL   6   3.192   2.520   2.275
   37   HG23  VAL   6          2HG2      VAL   6   2.675   1.744   0.777
   38    HA   PRO   7           HA       PRO   7   8.954   0.146   2.061
   39    HB3  PRO   7           2HB      PRO   7  10.441   1.778   1.426
   40    HG3  PRO   7           2HG      PRO   7   9.731   3.953   1.013
   41    HD3  PRO   7           2HD      PRO   7   8.212   2.789  -0.270
   42    HA   PRO   8           HA       PRO   8  10.323  -0.451   3.622
   43    HB3  PRO   8           2HB      PRO   8  10.736  -1.201   5.754
   44    HG3  PRO   8           2HG      PRO   8   9.014  -1.414   7.303
   45    HD3  PRO   8           2HD      PRO   8   8.619   0.733   6.565
   46    H    MET   9           H        MET   9  10.562  -2.622   2.614
   47    HA   MET   9           HA       MET   9   8.883  -3.101   0.550
   48    HB3  MET   9           2HB      MET   9   9.673  -5.567   0.764
   49    HG3  MET   9           2HG      MET   9  11.567  -3.256   0.510
   50    HE1  MET   9           3HE      MET   9  13.530  -4.051  -1.594
   51    HE2  MET   9           1HE      MET   9  14.038  -3.417  -0.028
   52    HE3  MET   9           2HE      MET   9  14.814  -4.856  -0.692
   53    H    ALA  10           H        ALA  10   8.517  -4.300   3.839
   54    HA   ALA  10           HA       ALA  10   6.125  -5.798   3.132
   55    HB1  ALA  10           1HB      ALA  10   7.210  -5.407   5.905
   56    HB2  ALA  10           2HB      ALA  10   6.198  -6.716   5.294
   57    HB3  ALA  10           3HB      ALA  10   7.882  -6.596   4.789
   58    H    THR  11           H        THR  11   5.153  -3.666   2.418
   59    HA   THR  11           HA       THR  11   3.308  -2.797   4.426
   60    HB   THR  11           HB       THR  11   4.838  -0.501   3.299
   61    HG1  THR  11           1HG      THR  11   6.591  -1.203   4.260
   62   HG21  THR  11          3HG2      THR  11   4.287   0.131   5.842
   63   HG22  THR  11          1HG2      THR  11   3.030  -1.073   5.573
   64   HG23  THR  11          2HG2      THR  11   3.127   0.347   4.533
   65    H    GLU  12           H        GLU  12   1.641  -3.283   3.076
   66    HA   GLU  12           HA       GLU  12   1.530  -1.826   0.517
   67    HB3  GLU  12           2HB      GLU  12  -0.224  -3.657  -0.035
   68    HG3  GLU  12           2HG      GLU  12   2.722  -4.203   0.126
   69    H    ILE  13           H        ILE  13   0.172  -0.175   0.547
   70    HA   ILE  13           HA       ILE  13  -1.978  -0.093   2.516
   71    HB   ILE  13           HB       ILE  13  -1.063   2.038   0.579
   72   HG13  ILE  13          2HG1      ILE  13  -0.041   3.079   2.581
   73   HG21  ILE  13          1HG2      ILE  13  -3.032   2.078   2.855
   74   HG22  ILE  13          2HG2      ILE  13  -2.340   3.536   2.148
   75   HG23  ILE  13          3HG2      ILE  13  -3.325   2.459   1.158
   76   HD11  ILE  13          3HD1      ILE  13  -1.507   1.798   4.229
   77   HD12  ILE  13          1HD1      ILE  13  -0.369   0.469   4.008
   78   HD13  ILE  13          2HD1      ILE  13   0.194   2.019   4.639
   79    H    CYS  14           H        CYS  14  -3.950  -0.753   2.014
   80    HA   CYS  14           HA       CYS  14  -4.842  -0.535  -0.786
   81    HB3  CYS  14           2HB      CYS  14  -6.330  -2.519  -0.231
   82    H    PHE  15           H        PHE  15  -6.694   0.524  -1.157
   83    HA   PHE  15           HA       PHE  15  -8.082   1.675   1.133
   84    HB3  PHE  15           2HB      PHE  15  -9.326   2.866  -0.866
   85    HD1  PHE  15           2HD      PHE  15  -5.697   2.632  -0.038
   86    HD2  PHE  15           1HD      PHE  15  -9.118   5.122  -0.500
   87    HE1  PHE  15           2HE      PHE  15  -4.393   4.564   0.749
   88    HE2  PHE  15           1HE      PHE  15  -7.820   7.059   0.286
   89    HZ   PHE  15           HZ       PHE  15  -5.453   6.781   0.913
   90    H    SER  16           H        SER  16 -10.571   2.014   0.604
   91    HA   SER  16           HA       SER  16 -11.675  -0.661   0.504
   92    HB3  SER  16           2HB      SER  16 -13.744   0.362   1.258
   93    HG   SER  16           HG       SER  16 -12.839   0.499   3.136
   94    H    ASP  17           H        ASP  17 -10.838   1.448  -1.810
   95    HA   ASP  17           HA       ASP  17 -13.141   0.804  -3.530
   96    HB3  ASP  17           2HB      ASP  17 -12.815   3.198  -3.300
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1 -10.143  -0.804  -2.687
    2    HA2  GLY   1           2HA      GLY   1  -9.624  -3.195  -3.280
    3    HA3  GLY   1           3HA      GLY   1 -10.155  -2.762  -4.899
    4    H    HIS   2           H        HIS   2  -8.941  -0.196  -5.019
    5    HA   HIS   2           HA       HIS   2  -6.465  -0.786  -6.083
    6    HB3  HIS   2           2HB      HIS   2  -7.809   1.704  -5.177
    7    HD1  HIS   2           1HD      HIS   2  -6.352   3.065  -3.640
    8    HD2  HIS   2           2HD      HIS   2  -4.306   1.668  -6.975
    9    HE1  HIS   2           1HE      HIS   2  -4.121   4.227  -3.597
   10    H    CYS   3           H        CYS   3  -4.344  -0.636  -5.371
   11    HA   CYS   3           HA       CYS   3  -3.909  -0.226  -2.501
   12    HB3  CYS   3           2HB      CYS   3  -2.474  -2.216  -2.384
   13    H    ILE   4           H        ILE   4  -1.532  -0.073  -1.991
   14    HA   ILE   4           HA       ILE   4   0.086   0.865  -4.239
   15    HB   ILE   4           HB       ILE   4   0.769   2.889  -3.025
   16   HG13  ILE   4          2HG1      ILE   4  -1.061   1.745  -0.979
   17   HG21  ILE   4          1HG2      ILE   4  -0.922   4.140  -3.867
   18   HG22  ILE   4          2HG2      ILE   4  -1.387   2.592  -4.570
   19   HG23  ILE   4          3HG2      ILE   4  -2.175   3.165  -3.100
   20   HD11  ILE   4          3HD1      ILE   4   0.654   3.525   0.226
   21   HD12  ILE   4          1HD1      ILE   4   0.870   1.779   0.110
   22   HD13  ILE   4          2HD1      ILE   4   1.616   2.842  -1.083
   23    H    GLN   5           H        GLN   5   2.290   0.662  -3.948
   24    HA   GLN   5           HA       GLN   5   3.084  -0.948  -1.632
   25    HB3  GLN   5           2HB      GLN   5   4.848  -0.481  -4.006
   26    HG3  GLN   5           2HG      GLN   5   5.475  -2.820  -3.624
   27   HE21  GLN   5          1HE2      GLN   5   6.849  -0.618  -3.416
   28   HE22  GLN   5          2HE2      GLN   5   7.685  -0.497  -1.910
   29    H    VAL   6           H        VAL   6   4.483  -0.232  -0.140
   30    HA   VAL   6           HA       VAL   6   6.220   2.030  -0.701
   31    HB   VAL   6           HB       VAL   6   5.438   3.091   1.522
   32   HG11  VAL   6          1HG1      VAL   6   5.185   4.112  -0.698
   33   HG12  VAL   6          2HG1      VAL   6   3.657   3.254  -0.906
   34   HG13  VAL   6          3HG1      VAL   6   3.820   4.474   0.357
   35   HG21  VAL   6          3HG2      VAL   6   3.955   1.129   2.064
   36   HG22  VAL   6          1HG2      VAL   6   3.192   2.714   2.193
   37   HG23  VAL   6          2HG2      VAL   6   2.873   1.694   0.791
   38    HA   PRO   7           HA       PRO   7   8.964  -0.021   2.045
   39    HB3  PRO   7           2HB      PRO   7  10.537   1.554   1.475
   40    HG3  PRO   7           2HG      PRO   7   9.942   3.778   1.139
   41    HD3  PRO   7           2HD      PRO   7   8.370   2.741  -0.189
   42    HA   PRO   8           HA       PRO   8  10.292  -0.744   3.586
   43    HB3  PRO   8           2HB      PRO   8  10.654  -1.592   5.691
   44    HG3  PRO   8           2HG      PRO   8   8.917  -1.771   7.227
   45    HD3  PRO   8           2HD      PRO   8   8.638   0.419   6.567
   46    H    MET   9           H        MET   9  10.427  -2.874   2.488
   47    HA   MET   9           HA       MET   9   8.728  -3.191   0.410
   48    HB3  MET   9           2HB      MET   9   9.976  -5.552   1.820
   49    HG3  MET   9           2HG      MET   9   9.332  -4.991  -1.059
   50    HE1  MET   9           3HE      MET   9  12.192  -5.398  -2.258
   51    HE2  MET   9           1HE      MET   9  11.533  -6.808  -3.088
   52    HE3  MET   9           2HE      MET   9  10.492  -5.431  -2.724
   53    H    ALA  10           H        ALA  10   8.305  -4.514   3.646
   54    HA   ALA  10           HA       ALA  10   5.838  -5.856   2.878
   55    HB1  ALA  10           1HB      ALA  10   7.151  -5.660   5.586
   56    HB2  ALA  10           2HB      ALA  10   5.814  -6.720   5.141
   57    HB3  ALA  10           3HB      ALA  10   7.405  -6.959   4.422
   58    H    THR  11           H        THR  11   4.975  -3.645   2.269
   59    HA   THR  11           HA       THR  11   3.192  -2.772   4.335
   60    HB   THR  11           HB       THR  11   4.823  -0.516   3.260
   61    HG1  THR  11           1HG      THR  11   5.616  -1.724   5.675
   62   HG21  THR  11          3HG2      THR  11   3.513  -0.994   5.939
   63   HG22  THR  11          1HG2      THR  11   2.765  -0.144   4.588
   64   HG23  THR  11          2HG2      THR  11   4.205   0.522   5.360
   65    H    GLU  12           H        GLU  12   1.517  -3.198   2.951
   66    HA   GLU  12           HA       GLU  12   1.348  -1.476   0.567
   67    HB3  GLU  12           2HB      GLU  12   1.570  -3.603  -0.369
   68    HG3  GLU  12           2HG      GLU  12  -0.204  -4.627   1.828
   69    H    ILE  13           H        ILE  13  -0.217  -0.028   0.734
   70    HA   ILE  13           HA       ILE  13  -2.411  -0.503   2.615
   71    HB   ILE  13           HB       ILE  13  -1.594   2.043   1.211
   72   HG13  ILE  13          2HG1      ILE  13  -0.831   0.777   3.777
   73   HG21  ILE  13          1HG2      ILE  13  -3.104   3.036   3.030
   74   HG22  ILE  13          2HG2      ILE  13  -3.876   2.274   1.641
   75   HG23  ILE  13          3HG2      ILE  13  -3.770   1.409   3.174
   76   HD11  ILE  13          3HD1      ILE  13   0.473   2.930   2.129
   77   HD12  ILE  13          1HD1      ILE  13   1.176   2.110   3.522
   78   HD13  ILE  13          2HD1      ILE  13   0.834   1.206   2.046
   79    H    CYS  14           H        CYS  14  -4.358  -1.068   1.922
   80    HA   CYS  14           HA       CYS  14  -5.004  -0.671  -0.923
   81    HB3  CYS  14           2HB      CYS  14  -6.709  -2.498  -0.509
   82    H    PHE  15           H        PHE  15  -6.370   0.924  -1.328
   83    HA   PHE  15           HA       PHE  15  -7.799   2.346   0.611
   84    HB3  PHE  15           2HB      PHE  15  -9.144   3.120  -1.501
   85    HD1  PHE  15           1HD      PHE  15  -5.446   2.720  -1.173
   86    HD2  PHE  15           2HD      PHE  15  -8.751   5.371  -1.587
   87    HE1  PHE  15           1HE      PHE  15  -3.916   4.642  -1.046
   88    HE2  PHE  15           2HE      PHE  15  -7.226   7.297  -1.461
   89    HZ   PHE  15           HZ       PHE  15  -4.805   6.935  -1.191
   90    H    SER  16           H        SER  16 -10.328   2.721   0.059
   91    HA   SER  16           HA       SER  16 -11.656   0.508   1.147
   92    HB3  SER  16           2HB      SER  16 -13.663   1.756   0.898
   93    HG   SER  16           HG       SER  16 -13.009   3.851   1.529
   94    H    ASP  17           H        ASP  17 -11.856   1.815  -2.165
   95    HA   ASP  17           HA       ASP  17 -13.001  -0.728  -3.058
   96    HB3  ASP  17           2HB      ASP  17 -14.188   1.315  -3.718
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1 -11.652  -0.741  -3.235
    2    HA2  GLY   1           2HA      GLY   1 -10.350  -2.457  -4.093
    3    HA3  GLY   1           3HA      GLY   1 -11.077  -1.905  -5.596
    4    H    HIS   2           H        HIS   2  -8.803  -0.042  -3.668
    5    HA   HIS   2           HA       HIS   2  -6.863  -0.281  -5.871
    6    HB3  HIS   2           2HB      HIS   2  -7.719   2.034  -4.194
    7    HD1  HIS   2           1HD      HIS   2  -6.033   3.339  -2.965
    8    HD2  HIS   2           2HD      HIS   2  -4.405   1.508  -6.320
    9    HE1  HIS   2           1HE      HIS   2  -3.622   4.054  -3.016
   10    H    CYS   3           H        CYS   3  -4.747  -0.722  -5.414
   11    HA   CYS   3           HA       CYS   3  -3.865  -0.828  -2.641
   12    HB3  CYS   3           2HB      CYS   3  -2.994  -3.159  -2.964
   13    H    ILE   4           H        ILE   4  -1.705  -0.488  -2.393
   14    HA   ILE   4           HA       ILE   4   0.052  -0.636  -4.715
   15    HB   ILE   4           HB       ILE   4   0.968   1.668  -4.127
   16   HG13  ILE   4          2HG1      ILE   4  -0.251   1.861  -1.968
   17   HG21  ILE   4          1HG2      ILE   4  -0.155   1.375  -6.188
   18   HG22  ILE   4          2HG2      ILE   4  -1.730   1.293  -5.399
   19   HG23  ILE   4          3HG2      ILE   4  -0.847   2.819  -5.449
   20   HD11  ILE   4          3HD1      ILE   4  -1.504   4.117  -3.251
   21   HD12  ILE   4          1HD1      ILE   4  -0.191   4.071  -2.074
   22   HD13  ILE   4          2HD1      ILE   4   0.159   3.899  -3.795
   23    H    GLN   5           H        GLN   5   2.345  -0.317  -4.124
   24    HA   GLN   5           HA       GLN   5   2.849  -1.449  -1.473
   25    HB3  GLN   5           2HB      GLN   5   3.773  -2.658  -3.386
   26    HG3  GLN   5           2HG      GLN   5   4.324  -0.208  -4.488
   27   HE21  GLN   5          1HE2      GLN   5   6.738  -0.681  -5.915
   28   HE22  GLN   5          2HE2      GLN   5   8.047  -0.222  -4.886
   29    H    VAL   6           H        VAL   6   4.180  -0.506   0.025
   30    HA   VAL   6           HA       VAL   6   5.492   2.018  -0.628
   31    HB   VAL   6           HB       VAL   6   4.542   2.928   1.608
   32   HG11  VAL   6          1HG1      VAL   6   4.100   3.763  -0.724
   33   HG12  VAL   6          2HG1      VAL   6   2.644   2.766  -0.722
   34   HG13  VAL   6          3HG1      VAL   6   2.819   4.075   0.447
   35   HG21  VAL   6          3HG2      VAL   6   3.437   0.661   2.064
   36   HG22  VAL   6          1HG2      VAL   6   2.480   2.112   2.357
   37   HG23  VAL   6          2HG2      VAL   6   2.220   1.165   0.893
   38    HA   PRO   7           HA       PRO   7   8.625   0.620   2.108
   39    HB3  PRO   7           2HB      PRO   7   9.834   2.477   1.503
   40    HG3  PRO   7           2HG      PRO   7   8.792   4.527   1.154
   41    HD3  PRO   7           2HD      PRO   7   7.453   3.174  -0.145
   42    HA   PRO   8           HA       PRO   8  10.076   0.176   3.633
   43    HB3  PRO   8           2HB      PRO   8  10.619  -0.568   5.737
   44    HG3  PRO   8           2HG      PRO   8   8.968  -1.070   7.296
   45    HD3  PRO   8           2HD      PRO   8   8.261   1.020   6.627
   46    H    MET   9           H        MET   9  10.609  -1.885   2.536
   47    HA   MET   9           HA       MET   9   8.984  -2.546   0.484
   48    HB3  MET   9           2HB      MET   9  10.539  -4.755   1.781
   49    HG3  MET   9           2HG      MET   9  10.842  -3.903  -1.046
   50    HE1  MET   9           3HE      MET   9  11.206  -7.454  -2.420
   51    HE2  MET   9           1HE      MET   9   9.744  -7.628  -1.450
   52    HE3  MET   9           2HE      MET   9   9.995  -6.173  -2.414
   53    H    ALA  10           H        ALA  10   8.866  -3.916   3.728
   54    HA   ALA  10           HA       ALA  10   6.693  -5.708   2.997
   55    HB1  ALA  10           1HB      ALA  10   6.856  -6.538   5.270
   56    HB2  ALA  10           2HB      ALA  10   8.452  -6.490   4.521
   57    HB3  ALA  10           3HB      ALA  10   7.985  -5.247   5.683
   58    H    THR  11           H        THR  11   5.412  -3.710   2.391
   59    HA   THR  11           HA       THR  11   3.513  -3.187   4.470
   60    HB   THR  11           HB       THR  11   4.681  -0.665   3.383
   61    HG1  THR  11           1HG      THR  11   5.732  -2.071   5.631
   62   HG21  THR  11          3HG2      THR  11   2.797  -1.478   5.412
   63   HG22  THR  11          1HG2      THR  11   3.101   0.126   4.747
   64   HG23  THR  11          2HG2      THR  11   4.062  -0.464   6.103
   65    H    GLU  12           H        GLU  12   1.848  -3.800   3.194
   66    HA   GLU  12           HA       GLU  12   1.523  -2.410   0.617
   67    HB3  GLU  12           2HB      GLU  12  -0.132  -4.347   0.187
   68    HG3  GLU  12           2HG      GLU  12   2.719  -5.241   0.445
   69    H    ILE  13           H        ILE  13   0.089  -0.823   0.665
   70    HA   ILE  13           HA       ILE  13  -2.042  -0.864   2.673
   71    HB   ILE  13           HB       ILE  13  -0.618   1.162   2.483
   72   HG13  ILE  13          2HG1      ILE  13  -3.553   1.483   1.821
   73   HG21  ILE  13          1HG2      ILE  13  -1.968   1.519  -0.189
   74   HG22  ILE  13          2HG2      ILE  13  -0.848   2.642   0.582
   75   HG23  ILE  13          3HG2      ILE  13  -0.281   1.060   0.045
   76   HD11  ILE  13          3HD1      ILE  13  -3.191   2.204   4.432
   77   HD12  ILE  13          1HD1      ILE  13  -3.838   0.664   3.869
   78   HD13  ILE  13          2HD1      ILE  13  -2.124   0.811   4.264
   79    H    CYS  14           H        CYS  14  -4.154  -1.035   2.179
   80    HA   CYS  14           HA       CYS  14  -4.904  -1.037  -0.669
   81    HB3  CYS  14           2HB      CYS  14  -6.701  -2.762   0.253
   82    H    PHE  15           H        PHE  15  -6.250   0.579  -1.064
   83    HA   PHE  15           HA       PHE  15  -7.693   1.912   1.016
   84    HB3  PHE  15           2HB      PHE  15  -8.758   2.961  -1.228
   85    HD1  PHE  15           2HD      PHE  15  -5.073   2.975  -0.855
   86    HD2  PHE  15           1HD      PHE  15  -8.741   4.979  -0.052
   87    HE1  PHE  15           2HE      PHE  15  -3.821   4.937  -0.058
   88    HE2  PHE  15           1HE      PHE  15  -7.495   6.945   0.745
   89    HZ   PHE  15           HZ       PHE  15  -5.033   6.926   0.744
   90    H    SER  16           H        SER  16 -10.095   2.460   0.558
   91    HA   SER  16           HA       SER  16 -11.510  -0.067   0.518
   92    HB3  SER  16           2HB      SER  16 -12.317   1.280   2.232
   93    HG   SER  16           HG       SER  16 -11.475   3.243   1.936
   94    H    ASP  17           H        ASP  17 -10.483   1.908  -1.842
   95    HA   ASP  17           HA       ASP  17 -12.894   1.566  -3.495
   96    HB3  ASP  17           2HB      ASP  17 -11.902   3.891  -3.167
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1 -10.166  -0.814  -2.690
    2    HA2  GLY   1           2HA      GLY   1  -9.622  -3.187  -3.316
    3    HA3  GLY   1           3HA      GLY   1 -10.159  -2.741  -4.929
    4    H    HIS   2           H        HIS   2  -8.968  -0.157  -5.008
    5    HA   HIS   2           HA       HIS   2  -6.491  -0.707  -6.093
    6    HB3  HIS   2           2HB      HIS   2  -7.848   1.754  -5.131
    7    HD1  HIS   2           1HD      HIS   2  -6.387   3.075  -3.557
    8    HD2  HIS   2           2HD      HIS   2  -4.362   1.803  -6.953
    9    HE1  HIS   2           1HE      HIS   2  -4.169   4.256  -3.499
   10    H    CYS   3           H        CYS   3  -4.369  -0.558  -5.386
   11    HA   CYS   3           HA       CYS   3  -3.918  -0.188  -2.514
   12    HB3  CYS   3           2HB      CYS   3  -2.480  -2.184  -2.435
   13    H    ILE   4           H        ILE   4  -1.482  -0.170  -2.055
   14    HA   ILE   4           HA       ILE   4   0.122   0.793  -4.287
   15    HB   ILE   4           HB       ILE   4   0.809   2.834  -3.103
   16   HG13  ILE   4          2HG1      ILE   4  -1.008   1.717  -1.041
   17   HG21  ILE   4          1HG2      ILE   4  -1.118   4.149  -3.622
   18   HG22  ILE   4          2HG2      ILE   4  -1.043   2.821  -4.780
   19   HG23  ILE   4          3HG2      ILE   4  -2.184   2.756  -3.437
   20   HD11  ILE   4          3HD1      ILE   4   1.654   2.623  -1.150
   21   HD12  ILE   4          1HD1      ILE   4   0.773   3.720  -0.088
   22   HD13  ILE   4          2HD1      ILE   4   0.771   1.985   0.236
   23    H    GLN   5           H        GLN   5   2.332   0.617  -3.964
   24    HA   GLN   5           HA       GLN   5   3.099  -0.975  -1.626
   25    HB3  GLN   5           2HB      GLN   5   4.805  -0.519  -4.061
   26    HG3  GLN   5           2HG      GLN   5   4.647  -3.121  -2.676
   27   HE21  GLN   5          1HE2      GLN   5   5.591  -3.989  -4.480
   28   HE22  GLN   5          2HE2      GLN   5   7.203  -3.616  -4.977
   29    H    VAL   6           H        VAL   6   4.503  -0.253  -0.135
   30    HA   VAL   6           HA       VAL   6   6.230   2.015  -0.701
   31    HB   VAL   6           HB       VAL   6   5.439   3.081   1.517
   32   HG11  VAL   6          1HG1      VAL   6   5.181   4.070  -0.731
   33   HG12  VAL   6          2HG1      VAL   6   3.636   3.233  -0.897
   34   HG13  VAL   6          3HG1      VAL   6   3.843   4.467   0.347
   35   HG21  VAL   6          3HG2      VAL   6   3.950   1.076   2.010
   36   HG22  VAL   6          1HG2      VAL   6   3.233   2.672   2.231
   37   HG23  VAL   6          2HG2      VAL   6   2.854   1.726   0.792
   38    HA   PRO   7           HA       PRO   7   8.978  -0.011   2.056
   39    HB3  PRO   7           2HB      PRO   7  10.545   1.569   1.483
   40    HG3  PRO   7           2HG      PRO   7   9.940   3.788   1.140
   41    HD3  PRO   7           2HD      PRO   7   8.375   2.740  -0.189
   42    HA   PRO   8           HA       PRO   8  10.304  -0.728   3.601
   43    HB3  PRO   8           2HB      PRO   8  10.664  -1.569   5.708
   44    HG3  PRO   8           2HG      PRO   8   8.925  -1.749   7.242
   45    HD3  PRO   8           2HD      PRO   8   8.641   0.439   6.575
   46    H    MET   9           H        MET   9  10.445  -2.859   2.508
   47    HA   MET   9           HA       MET   9   8.747  -3.185   0.429
   48    HB3  MET   9           2HB      MET   9   9.446  -5.657   0.476
   49    HG3  MET   9           2HG      MET   9  11.959  -5.032   0.310
   50    HE1  MET   9           3HE      MET   9  12.769  -3.327  -2.176
   51    HE2  MET   9           1HE      MET   9  12.998  -5.048  -1.864
   52    HE3  MET   9           2HE      MET   9  12.303  -4.515  -3.395
   53    H    ALA  10           H        ALA  10   8.329  -4.488   3.671
   54    HA   ALA  10           HA       ALA  10   5.877  -5.860   2.909
   55    HB1  ALA  10           1HB      ALA  10   7.610  -5.815   5.328
   56    HB2  ALA  10           2HB      ALA  10   5.916  -6.273   5.513
   57    HB3  ALA  10           3HB      ALA  10   6.962  -7.185   4.424
   58    H    THR  11           H        THR  11   4.992  -3.666   2.280
   59    HA   THR  11           HA       THR  11   3.197  -2.789   4.335
   60    HB   THR  11           HB       THR  11   4.816  -0.532   3.242
   61    HG1  THR  11           1HG      THR  11   6.536  -1.313   4.199
   62   HG21  THR  11          3HG2      THR  11   2.908   0.116   4.477
   63   HG22  THR  11          1HG2      THR  11   4.274   0.339   5.570
   64   HG23  THR  11          2HG2      THR  11   3.226  -1.071   5.741
   65    H    GLU  12           H        GLU  12   1.512  -3.210   2.975
   66    HA   GLU  12           HA       GLU  12   1.351  -1.544   0.549
   67    HB3  GLU  12           2HB      GLU  12   1.538  -3.697  -0.329
   68    HG3  GLU  12           2HG      GLU  12  -0.058  -4.583   2.029
   69    H    ILE  13           H        ILE  13  -0.179  -0.059   0.716
   70    HA   ILE  13           HA       ILE  13  -2.378  -0.463   2.605
   71    HB   ILE  13           HB       ILE  13  -1.546   2.049   1.149
   72   HG13  ILE  13          2HG1      ILE  13  -0.670   2.768   3.335
   73   HG21  ILE  13          1HG2      ILE  13  -3.040   2.634   3.454
   74   HG22  ILE  13          2HG2      ILE  13  -3.512   2.868   1.773
   75   HG23  ILE  13          3HG2      ILE  13  -3.917   1.365   2.601
   76   HD11  ILE  13          3HD1      ILE  13  -1.156  -0.055   4.250
   77   HD12  ILE  13          1HD1      ILE  13  -0.341   1.224   5.149
   78   HD13  ILE  13          2HD1      ILE  13  -2.064   1.356   4.791
   79    H    CYS  14           H        CYS  14  -4.343  -0.988   1.931
   80    HA   CYS  14           HA       CYS  14  -4.999  -0.600  -0.914
   81    HB3  CYS  14           2HB      CYS  14  -6.691  -2.436  -0.511
   82    H    PHE  15           H        PHE  15  -6.467   0.894  -1.357
   83    HA   PHE  15           HA       PHE  15  -7.860   2.327   0.630
   84    HB3  PHE  15           2HB      PHE  15  -9.218   3.102  -1.483
   85    HD1  PHE  15           2HD      PHE  15  -5.522   2.777  -1.073
   86    HD2  PHE  15           1HD      PHE  15  -8.865   5.361  -1.585
   87    HE1  PHE  15           2HE      PHE  15  -4.034   4.730  -0.905
   88    HE2  PHE  15           1HE      PHE  15  -7.384   7.318  -1.418
   89    HZ   PHE  15           HZ       PHE  15  -4.965   7.004  -1.077
   90    H    SER  16           H        SER  16 -10.390   2.689   0.095
   91    HA   SER  16           HA       SER  16 -11.702   0.456   1.155
   92    HB3  SER  16           2HB      SER  16 -13.166   2.537  -0.447
   93    HG   SER  16           HG       SER  16 -14.607   2.304   1.325
   94    H    ASP  17           H        ASP  17 -11.897   1.785  -2.148
   95    HA   ASP  17           HA       ASP  17 -13.022  -0.761  -3.060
   96    HB3  ASP  17           2HB      ASP  17 -14.328   1.067  -3.809
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1 -11.678  -0.976  -3.296
    2    HA2  GLY   1           2HA      GLY   1 -10.276  -2.649  -4.076
    3    HA3  GLY   1           3HA      GLY   1 -10.993  -2.172  -5.609
    4    H    HIS   2           H        HIS   2  -8.847  -0.164  -3.678
    5    HA   HIS   2           HA       HIS   2  -6.863  -0.343  -5.850
    6    HB3  HIS   2           2HB      HIS   2  -7.839   1.935  -4.192
    7    HD1  HIS   2           1HD      HIS   2  -6.216   3.226  -2.861
    8    HD2  HIS   2           2HD      HIS   2  -4.472   1.618  -6.271
    9    HE1  HIS   2           1HE      HIS   2  -3.842   4.053  -2.855
   10    H    CYS   3           H        CYS   3  -4.727  -0.666  -5.364
   11    HA   CYS   3           HA       CYS   3  -3.881  -0.761  -2.580
   12    HB3  CYS   3           2HB      CYS   3  -2.874  -3.055  -2.959
   13    H    ILE   4           H        ILE   4  -1.709  -0.419  -2.294
   14    HA   ILE   4           HA       ILE   4   0.042  -0.389  -4.629
   15    HB   ILE   4           HB       ILE   4   0.920   1.886  -3.881
   16   HG13  ILE   4          2HG1      ILE   4  -0.892   1.543  -1.827
   17   HG21  ILE   4          1HG2      ILE   4  -0.975   3.082  -5.092
   18   HG22  ILE   4          2HG2      ILE   4  -0.175   1.770  -5.954
   19   HG23  ILE   4          3HG2      ILE   4  -1.748   1.501  -5.204
   20   HD11  ILE   4          3HD1      ILE   4   0.753   3.754  -2.810
   21   HD12  ILE   4          1HD1      ILE   4  -0.612   4.235  -1.804
   22   HD13  ILE   4          2HD1      ILE   4   0.581   3.094  -1.184
   23    H    GLN   5           H        GLN   5   2.325  -0.124  -4.046
   24    HA   GLN   5           HA       GLN   5   2.860  -1.355  -1.442
   25    HB3  GLN   5           2HB      GLN   5   3.695  -2.492  -3.481
   26    HG3  GLN   5           2HG      GLN   5   5.856  -0.480  -3.762
   27   HE21  GLN   5          1HE2      GLN   5   7.208  -1.969  -4.610
   28   HE22  GLN   5          2HE2      GLN   5   6.890  -2.860  -6.055
   29    H    VAL   6           H        VAL   6   4.234  -0.472   0.050
   30    HA   VAL   6           HA       VAL   6   5.600   2.031  -0.578
   31    HB   VAL   6           HB       VAL   6   4.706   2.933   1.681
   32   HG11  VAL   6          1HG1      VAL   6   4.207   3.683  -0.738
   33   HG12  VAL   6          2HG1      VAL   6   2.654   2.880  -0.501
   34   HG13  VAL   6          3HG1      VAL   6   3.129   4.214   0.551
   35   HG21  VAL   6          3HG2      VAL   6   2.374   1.168   0.978
   36   HG22  VAL   6          1HG2      VAL   6   3.572   0.728   2.195
   37   HG23  VAL   6          2HG2      VAL   6   2.587   2.176   2.409
   38    HA   PRO   7           HA       PRO   7   8.732   0.500   2.090
   39    HB3  PRO   7           2HB      PRO   7   9.985   2.331   1.493
   40    HG3  PRO   7           2HG      PRO   7   8.996   4.414   1.189
   41    HD3  PRO   7           2HD      PRO   7   7.600   3.119  -0.110
   42    HA   PRO   8           HA       PRO   8  10.188  -0.010   3.586
   43    HB3  PRO   8           2HB      PRO   8  10.740  -0.801   5.671
   44    HG3  PRO   8           2HG      PRO   8   9.097  -1.277   7.246
   45    HD3  PRO   8           2HD      PRO   8   8.443   0.842   6.620
   46    H    MET   9           H        MET   9  10.644  -2.063   2.445
   47    HA   MET   9           HA       MET   9   8.968  -2.647   0.411
   48    HB3  MET   9           2HB      MET   9  10.683  -4.719   1.789
   49    HG3  MET   9           2HG      MET   9   9.126  -5.391  -0.150
   50    HE1  MET   9           3HE      MET   9   8.618  -4.035  -3.476
   51    HE2  MET   9           1HE      MET   9   8.160  -5.132  -2.170
   52    HE3  MET   9           2HE      MET   9   8.106  -3.387  -1.917
   53    H    ALA  10           H        ALA  10   8.867  -4.068   3.634
   54    HA   ALA  10           HA       ALA  10   6.633  -5.785   2.913
   55    HB1  ALA  10           1HB      ALA  10   7.937  -5.408   5.606
   56    HB2  ALA  10           2HB      ALA  10   6.828  -6.696   5.135
   57    HB3  ALA  10           3HB      ALA  10   8.432  -6.602   4.407
   58    H    THR  11           H        THR  11   5.394  -3.747   2.362
   59    HA   THR  11           HA       THR  11   3.553  -3.204   4.487
   60    HB   THR  11           HB       THR  11   4.766  -0.701   3.404
   61    HG1  THR  11           1HG      THR  11   5.816  -2.171   5.612
   62   HG21  THR  11          3HG2      THR  11   3.137  -1.555   5.740
   63   HG22  THR  11          1HG2      THR  11   2.969  -0.140   4.703
   64   HG23  THR  11          2HG2      THR  11   4.216  -0.176   5.949
   65    H    GLU  12           H        GLU  12   1.857  -3.777   3.229
   66    HA   GLU  12           HA       GLU  12   1.524  -2.382   0.660
   67    HB3  GLU  12           2HB      GLU  12  -0.216  -4.214   0.256
   68    HG3  GLU  12           2HG      GLU  12   2.475  -5.447   0.632
   69    H    ILE  13           H        ILE  13   0.210  -0.694   0.748
   70    HA   ILE  13           HA       ILE  13  -1.928  -0.642   2.756
   71    HB   ILE  13           HB       ILE  13  -0.424   1.278   2.788
   72   HG13  ILE  13          2HG1      ILE  13  -3.153   1.993   1.693
   73   HG21  ILE  13          1HG2      ILE  13   0.335   2.303   0.963
   74   HG22  ILE  13          2HG2      ILE  13  -0.417   1.007   0.036
   75   HG23  ILE  13          3HG2      ILE  13  -1.292   2.513   0.315
   76   HD11  ILE  13          3HD1      ILE  13  -3.547   2.336   4.240
   77   HD12  ILE  13          1HD1      ILE  13  -3.722   0.734   3.523
   78   HD13  ILE  13          2HD1      ILE  13  -2.251   1.151   4.403
   79    H    CYS  14           H        CYS  14  -3.990  -0.861   2.193
   80    HA   CYS  14           HA       CYS  14  -4.690  -0.606  -0.659
   81    HB3  CYS  14           2HB      CYS  14  -6.609  -2.206   0.019
   82    H    PHE  15           H        PHE  15  -6.951   0.008  -1.085
   83    HA   PHE  15           HA       PHE  15  -7.968   1.841   0.987
   84    HB3  PHE  15           2HB      PHE  15  -9.020   2.905  -1.240
   85    HD1  PHE  15           1HD      PHE  15  -5.428   2.596  -0.260
   86    HD2  PHE  15           2HD      PHE  15  -8.808   5.132  -0.777
   87    HE1  PHE  15           1HE      PHE  15  -4.095   4.521   0.493
   88    HE2  PHE  15           2HE      PHE  15  -7.478   7.061  -0.026
   89    HZ   PHE  15           HZ       PHE  15  -5.119   6.758   0.610
   90    H    SER  16           H        SER  16 -10.374   2.442   0.403
   91    HA   SER  16           HA       SER  16 -11.823  -0.063   0.486
   92    HB3  SER  16           2HB      SER  16 -12.784   2.795   0.760
   93    HG   SER  16           HG       SER  16 -14.587   1.577   1.801
   94    H    ASP  17           H        ASP  17 -10.699   1.735  -1.967
   95    HA   ASP  17           HA       ASP  17 -13.044   1.221  -3.677
   96    HB3  ASP  17           2HB      ASP  17 -12.685   3.534  -3.784
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1 -10.334  -1.036  -2.628
    2    HA2  GLY   1           2HA      GLY   1  -9.747  -3.217  -3.526
    3    HA3  GLY   1           3HA      GLY   1 -10.303  -2.654  -5.097
    4    H    HIS   2           H        HIS   2  -9.040  -0.117  -5.074
    5    HA   HIS   2           HA       HIS   2  -6.556  -0.740  -6.165
    6    HB3  HIS   2           2HB      HIS   2  -7.906   1.765  -5.293
    7    HD1  HIS   2           1HD      HIS   2  -6.465   3.226  -3.857
    8    HD2  HIS   2           2HD      HIS   2  -4.386   1.608  -7.070
    9    HE1  HIS   2           1HE      HIS   2  -4.221   4.360  -3.843
   10    H    CYS   3           H        CYS   3  -4.448  -0.584  -5.426
   11    HA   CYS   3           HA       CYS   3  -4.015  -0.046  -2.583
   12    HB3  CYS   3           2HB      CYS   3  -2.738  -2.100  -2.268
   13    H    ILE   4           H        ILE   4  -1.617  -0.045  -2.078
   14    HA   ILE   4           HA       ILE   4   0.090   0.572  -4.355
   15    HB   ILE   4           HB       ILE   4   0.862   2.698  -3.260
   16   HG13  ILE   4          2HG1      ILE   4  -0.071   2.280  -1.027
   17   HG21  ILE   4          1HG2      ILE   4  -1.991   3.130  -3.913
   18   HG22  ILE   4          2HG2      ILE   4  -0.549   3.922  -4.546
   19   HG23  ILE   4          3HG2      ILE   4  -1.003   2.320  -5.128
   20   HD11  ILE   4          3HD1      ILE   4  -0.665   4.413  -0.491
   21   HD12  ILE   4          1HD1      ILE   4   0.105   4.682  -2.053
   22   HD13  ILE   4          2HD1      ILE   4  -1.654   4.622  -1.936
   23    H    GLN   5           H        GLN   5   2.290   0.383  -3.929
   24    HA   GLN   5           HA       GLN   5   2.916  -1.018  -1.438
   25    HB3  GLN   5           2HB      GLN   5   3.501  -2.085  -3.599
   26    HG3  GLN   5           2HG      GLN   5   5.580   0.071  -3.863
   27   HE21  GLN   5          1HE2      GLN   5   7.309  -0.889  -4.657
   28   HE22  GLN   5          2HE2      GLN   5   7.324  -2.089  -5.898
   29    H    VAL   6           H        VAL   6   4.440  -0.329   0.002
   30    HA   VAL   6           HA       VAL   6   6.045   2.022  -0.588
   31    HB   VAL   6           HB       VAL   6   5.275   2.998   1.692
   32   HG11  VAL   6          1HG1      VAL   6   3.756   4.440   0.591
   33   HG12  VAL   6          2HG1      VAL   6   4.928   3.940  -0.630
   34   HG13  VAL   6          3HG1      VAL   6   3.325   3.203  -0.590
   35   HG21  VAL   6          3HG2      VAL   6   3.158   2.460   2.488
   36   HG22  VAL   6          1HG2      VAL   6   2.685   1.678   0.980
   37   HG23  VAL   6          2HG2      VAL   6   3.833   0.887   2.060
   38    HA   PRO   7           HA       PRO   7   8.974   0.097   2.052
   39    HB3  PRO   7           2HB      PRO   7  10.439   1.772   1.474
   40    HG3  PRO   7           2HG      PRO   7   9.708   3.962   1.199
   41    HD3  PRO   7           2HD      PRO   7   8.163   2.860  -0.111
   42    HA   PRO   8           HA       PRO   8  10.380  -0.581   3.543
   43    HB3  PRO   8           2HB      PRO   8  10.845  -1.446   5.620
   44    HG3  PRO   8           2HG      PRO   8   9.162  -1.753   7.195
   45    HD3  PRO   8           2HD      PRO   8   8.745   0.432   6.588
   46    H    MET   9           H        MET   9  10.601  -2.684   2.405
   47    HA   MET   9           HA       MET   9   8.876  -3.055   0.360
   48    HB3  MET   9           2HB      MET   9  10.221  -5.411   1.672
   49    HG3  MET   9           2HG      MET   9   8.826  -5.710  -0.424
   50    HE1  MET   9           3HE      MET   9   8.718  -4.215  -3.741
   51    HE2  MET   9           1HE      MET   9   9.131  -5.897  -3.411
   52    HE3  MET   9           2HE      MET   9   7.959  -5.064  -2.392
   53    H    ALA  10           H        ALA  10   8.594  -4.458   3.578
   54    HA   ALA  10           HA       ALA  10   6.180  -5.907   2.843
   55    HB1  ALA  10           1HB      ALA  10   6.330  -6.993   4.901
   56    HB2  ALA  10           2HB      ALA  10   8.012  -6.768   4.420
   57    HB3  ALA  10           3HB      ALA  10   7.287  -5.697   5.621
   58    H    THR  11           H        THR  11   5.194  -3.734   2.292
   59    HA   THR  11           HA       THR  11   3.408  -2.991   4.401
   60    HB   THR  11           HB       THR  11   4.906  -0.630   3.366
   61    HG1  THR  11           1HG      THR  11   5.809  -1.874   5.725
   62   HG21  THR  11          3HG2      THR  11   4.381   0.158   5.702
   63   HG22  THR  11          1HG2      THR  11   3.465  -1.332   5.919
   64   HG23  THR  11          2HG2      THR  11   2.978  -0.169   4.686
   65    H    GLU  12           H        GLU  12   1.697  -3.391   3.081
   66    HA   GLU  12           HA       GLU  12   1.459  -1.692   0.687
   67    HB3  GLU  12           2HB      GLU  12  -0.179  -3.646  -0.013
   68    HG3  GLU  12           2HG      GLU  12   2.802  -3.630  -0.266
   69    H    ILE  13           H        ILE  13  -0.089  -0.228   0.886
   70    HA   ILE  13           HA       ILE  13  -2.295  -0.743   2.758
   71    HB   ILE  13           HB       ILE  13  -0.972   1.270   3.229
   72   HG13  ILE  13          2HG1      ILE  13  -3.455   1.138   3.672
   73   HG21  ILE  13          1HG2      ILE  13  -0.310   1.709   0.879
   74   HG22  ILE  13          2HG2      ILE  13  -1.942   2.298   0.568
   75   HG23  ILE  13          3HG2      ILE  13  -0.906   3.140   1.721
   76   HD11  ILE  13          3HD1      ILE  13  -1.784   3.340   3.916
   77   HD12  ILE  13          1HD1      ILE  13  -3.263   3.970   3.192
   78   HD13  ILE  13          2HD1      ILE  13  -3.334   3.084   4.716
   79    H    CYS  14           H        CYS  14  -4.324  -0.942   2.047
   80    HA   CYS  14           HA       CYS  14  -4.830  -0.448  -0.808
   81    HB3  CYS  14           2HB      CYS  14  -6.821  -1.991  -0.402
   82    H    PHE  15           H        PHE  15  -7.015   0.291  -1.385
   83    HA   PHE  15           HA       PHE  15  -7.961   2.280   0.557
   84    HB3  PHE  15           2HB      PHE  15  -9.133   3.198  -1.573
   85    HD1  PHE  15           1HD      PHE  15  -5.501   2.350  -1.387
   86    HD2  PHE  15           2HD      PHE  15  -8.482   5.386  -1.495
   87    HE1  PHE  15           1HE      PHE  15  -3.747   4.071  -1.252
   88    HE2  PHE  15           2HE      PHE  15  -6.733   7.112  -1.363
   89    HZ   PHE  15           HZ       PHE  15  -4.363   6.456  -1.242
   90    H    SER  16           H        SER  16 -10.428   2.851  -0.104
   91    HA   SER  16           HA       SER  16 -11.967   0.739   0.916
   92    HB3  SER  16           2HB      SER  16 -13.010   2.751   1.290
   93    HG   SER  16           HG       SER  16 -13.057   3.880  -1.179
   94    H    ASP  17           H        ASP  17 -11.624   1.964  -2.400
   95    HA   ASP  17           HA       ASP  17 -13.467   0.360  -3.686
   96    HB3  ASP  17           2HB      ASP  17 -12.545   1.943  -5.088
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1 -11.659  -1.087  -3.329
    2    HA2  GLY   1           2HA      GLY   1 -10.180  -2.725  -4.042
    3    HA3  GLY   1           3HA      GLY   1 -10.883  -2.307  -5.597
    4    H    HIS   2           H        HIS   2  -8.846  -0.183  -3.672
    5    HA   HIS   2           HA       HIS   2  -6.830  -0.315  -5.813
    6    HB3  HIS   2           2HB      HIS   2  -7.888   1.925  -4.158
    7    HD1  HIS   2           1HD      HIS   2  -6.333   3.276  -2.806
    8    HD2  HIS   2           2HD      HIS   2  -4.472   1.695  -6.169
    9    HE1  HIS   2           1HE      HIS   2  -3.979   4.162  -2.752
   10    H    CYS   3           H        CYS   3  -4.693  -0.594  -5.317
   11    HA   CYS   3           HA       CYS   3  -3.867  -0.680  -2.525
   12    HB3  CYS   3           2HB      CYS   3  -2.811  -2.938  -2.879
   13    H    ILE   4           H        ILE   4  -1.688  -0.330  -2.215
   14    HA   ILE   4           HA       ILE   4   0.058  -0.186  -4.552
   15    HB   ILE   4           HB       ILE   4   0.902   2.070  -3.721
   16   HG13  ILE   4          2HG1      ILE   4  -0.319   1.959  -1.543
   17   HG21  ILE   4          1HG2      ILE   4  -1.047   3.280  -4.854
   18   HG22  ILE   4          2HG2      ILE   4  -0.197   2.049  -5.785
   19   HG23  ILE   4          3HG2      ILE   4  -1.757   1.679  -5.052
   20   HD11  ILE   4          3HD1      ILE   4  -0.203   4.244  -3.283
   21   HD12  ILE   4          1HD1      ILE   4  -1.603   4.330  -2.216
   22   HD13  ILE   4          2HD1      ILE   4   0.014   4.144  -1.536
   23    H    GLN   5           H        GLN   5   2.314  -0.083  -4.020
   24    HA   GLN   5           HA       GLN   5   2.875  -1.295  -1.415
   25    HB3  GLN   5           2HB      GLN   5   4.720  -1.068  -3.794
   26    HG3  GLN   5           2HG      GLN   5   4.782  -2.688  -1.277
   27   HE21  GLN   5          1HE2      GLN   5   7.565  -2.568  -3.150
   28   HE22  GLN   5          2HE2      GLN   5   7.536  -4.184  -3.758
   29    H    VAL   6           H        VAL   6   4.317  -0.447   0.035
   30    HA   VAL   6           HA       VAL   6   5.759   1.996  -0.640
   31    HB   VAL   6           HB       VAL   6   4.921   2.963   1.618
   32   HG11  VAL   6          1HG1      VAL   6   3.040   2.916  -0.739
   33   HG12  VAL   6          2HG1      VAL   6   3.173   4.174   0.492
   34   HG13  VAL   6          3HG1      VAL   6   4.499   3.902  -0.639
   35   HG21  VAL   6          3HG2      VAL   6   3.658   0.736   2.032
   36   HG22  VAL   6          1HG2      VAL   6   2.875   2.260   2.456
   37   HG23  VAL   6          2HG2      VAL   6   2.436   1.425   0.964
   38    HA   PRO   7           HA       PRO   7   8.852   0.391   2.027
   39    HB3  PRO   7           2HB      PRO   7  10.168   2.167   1.398
   40    HG3  PRO   7           2HG      PRO   7   9.253   4.281   1.073
   41    HD3  PRO   7           2HD      PRO   7   7.801   3.021  -0.199
   42    HA   PRO   8           HA       PRO   8  10.306  -0.142   3.522
   43    HB3  PRO   8           2HB      PRO   8  10.848  -0.920   5.615
   44    HG3  PRO   8           2HG      PRO   8   9.203  -1.319   7.210
   45    HD3  PRO   8           2HD      PRO   8   8.613   0.810   6.554
   46    H    MET   9           H        MET   9  10.686  -2.237   2.420
   47    HA   MET   9           HA       MET   9   8.983  -2.792   0.401
   48    HB3  MET   9           2HB      MET   9   9.972  -5.241   0.631
   49    HG3  MET   9           2HG      MET   9  11.909  -2.989   0.202
   50    HE1  MET   9           3HE      MET   9  12.680  -6.571   1.024
   51    HE2  MET   9           1HE      MET   9  14.211  -5.852   0.524
   52    HE3  MET   9           2HE      MET   9  13.059  -4.905   1.465
   53    H    ALA  10           H        ALA  10   8.841  -4.148   3.649
   54    HA   ALA  10           HA       ALA  10   6.546  -5.800   2.965
   55    HB1  ALA  10           1HB      ALA  10   8.287  -6.685   4.457
   56    HB2  ALA  10           2HB      ALA  10   7.911  -5.421   5.627
   57    HB3  ALA  10           3HB      ALA  10   6.704  -6.644   5.232
   58    H    THR  11           H        THR  11   5.381  -3.726   2.379
   59    HA   THR  11           HA       THR  11   3.561  -3.084   4.494
   60    HB   THR  11           HB       THR  11   4.859  -0.638   3.385
   61    HG1  THR  11           1HG      THR  11   5.858  -1.833   5.748
   62   HG21  THR  11          3HG2      THR  11   4.161   0.317   5.494
   63   HG22  THR  11          1HG2      THR  11   3.701  -1.273   6.101
   64   HG23  THR  11          2HG2      THR  11   2.802  -0.544   4.770
   65    H    GLU  12           H        GLU  12   1.858  -3.627   3.224
   66    HA   GLU  12           HA       GLU  12   1.535  -2.140   0.700
   67    HB3  GLU  12           2HB      GLU  12  -0.147  -4.056   0.215
   68    HG3  GLU  12           2HG      GLU  12   2.175  -3.729  -0.817
   69    H    ILE  13           H        ILE  13   0.096  -0.563   0.822
   70    HA   ILE  13           HA       ILE  13  -2.064  -0.755   2.805
   71    HB   ILE  13           HB       ILE  13  -2.348   1.692   2.410
   72   HG13  ILE  13          2HG1      ILE  13  -1.366   1.766   0.149
   73   HG21  ILE  13          1HG2      ILE  13  -0.521   0.365   3.973
   74   HG22  ILE  13          2HG2      ILE  13   0.462   1.589   3.170
   75   HG23  ILE  13          3HG2      ILE  13  -0.949   2.071   4.110
   76   HD11  ILE  13          3HD1      ILE  13  -0.736   3.888   0.335
   77   HD12  ILE  13          1HD1      ILE  13  -1.040   3.700   2.061
   78   HD13  ILE  13          2HD1      ILE  13   0.591   3.489   1.425
   79    H    CYS  14           H        CYS  14  -4.157  -0.815   2.223
   80    HA   CYS  14           HA       CYS  14  -4.785  -0.534  -0.643
   81    HB3  CYS  14           2HB      CYS  14  -6.681  -2.184  -0.100
   82    H    PHE  15           H        PHE  15  -7.045   0.067  -1.100
   83    HA   PHE  15           HA       PHE  15  -8.111   1.843   0.993
   84    HB3  PHE  15           2HB      PHE  15  -9.173   2.909  -1.232
   85    HD1  PHE  15           1HD      PHE  15  -5.587   2.658  -0.213
   86    HD2  PHE  15           2HD      PHE  15  -9.004   5.138  -0.757
   87    HE1  PHE  15           1HE      PHE  15  -4.296   4.602   0.571
   88    HE2  PHE  15           2HE      PHE  15  -7.719   7.086   0.024
   89    HZ   PHE  15           HZ       PHE  15  -5.362   6.819   0.688
   90    H    SER  16           H        SER  16 -10.530   2.430   0.330
   91    HA   SER  16           HA       SER  16 -11.946  -0.094   0.440
   92    HB3  SER  16           2HB      SER  16 -13.937   1.327   0.879
   93    HG   SER  16           HG       SER  16 -13.119   1.087   2.803
   94    H    ASP  17           H        ASP  17 -10.793   1.662  -2.030
   95    HA   ASP  17           HA       ASP  17 -13.088   1.059  -3.779
   96    HB3  ASP  17           2HB      ASP  17 -12.812   3.371  -3.948
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1 -11.705  -0.897  -3.301
    2    HA2  GLY   1           2HA      GLY   1 -10.354  -2.606  -4.099
    3    HA3  GLY   1           3HA      GLY   1 -11.081  -2.106  -5.619
    4    H    HIS   2           H        HIS   2  -8.859  -0.146  -3.731
    5    HA   HIS   2           HA       HIS   2  -6.885  -0.434  -5.900
    6    HB3  HIS   2           2HB      HIS   2  -7.844   1.942  -4.376
    7    HD1  HIS   2           1HD      HIS   2  -6.169   3.161  -3.022
    8    HD2  HIS   2           2HD      HIS   2  -4.513   1.602  -6.498
    9    HE1  HIS   2           1HE      HIS   2  -3.796   3.991  -3.067
   10    H    CYS   3           H        CYS   3  -4.752  -0.749  -5.384
   11    HA   CYS   3           HA       CYS   3  -3.931  -0.709  -2.591
   12    HB3  CYS   3           2HB      CYS   3  -2.949  -3.020  -2.824
   13    H    ILE   4           H        ILE   4  -1.743  -0.412  -2.298
   14    HA   ILE   4           HA       ILE   4   0.008  -0.462  -4.634
   15    HB   ILE   4           HB       ILE   4   0.928   1.809  -3.926
   16   HG13  ILE   4          2HG1      ILE   4  -0.926   1.524  -1.881
   17   HG21  ILE   4          1HG2      ILE   4  -0.158   1.706  -5.994
   18   HG22  ILE   4          2HG2      ILE   4  -1.734   1.427  -5.252
   19   HG23  ILE   4          3HG2      ILE   4  -0.975   3.015  -5.141
   20   HD11  ILE   4          3HD1      ILE   4   0.768   2.942  -1.337
   21   HD12  ILE   4          1HD1      ILE   4   0.708   3.788  -2.883
   22   HD13  ILE   4          2HD1      ILE   4  -0.517   4.108  -1.655
   23    H    GLN   5           H        GLN   5   2.311  -0.100  -4.018
   24    HA   GLN   5           HA       GLN   5   2.825  -1.355  -1.417
   25    HB3  GLN   5           2HB      GLN   5   3.706  -2.592  -3.299
   26    HG3  GLN   5           2HG      GLN   5   5.777  -1.378  -4.424
   27   HE21  GLN   5          1HE2      GLN   5   3.928   0.564  -6.025
   28   HE22  GLN   5          2HE2      GLN   5   3.095  -0.512  -7.090
   29    H    VAL   6           H        VAL   6   4.202  -0.468   0.073
   30    HA   VAL   6           HA       VAL   6   5.565   2.034  -0.566
   31    HB   VAL   6           HB       VAL   6   4.681   2.933   1.698
   32   HG11  VAL   6          1HG1      VAL   6   2.637   2.872  -0.494
   33   HG12  VAL   6          2HG1      VAL   6   3.075   4.203   0.580
   34   HG13  VAL   6          3HG1      VAL   6   4.177   3.702  -0.703
   35   HG21  VAL   6          3HG2      VAL   6   2.492   2.195   2.356
   36   HG22  VAL   6          1HG2      VAL   6   2.413   1.077   0.994
   37   HG23  VAL   6          2HG2      VAL   6   3.560   0.792   2.302
   38    HA   PRO   7           HA       PRO   7   8.715   0.515   2.086
   39    HB3  PRO   7           2HB      PRO   7   9.959   2.350   1.484
   40    HG3  PRO   7           2HG      PRO   7   8.961   4.430   1.187
   41    HD3  PRO   7           2HD      PRO   7   7.565   3.130  -0.106
   42    HA   PRO   8           HA       PRO   8  10.183   0.011   3.574
   43    HB3  PRO   8           2HB      PRO   8  10.747  -0.780   5.657
   44    HG3  PRO   8           2HG      PRO   8   9.115  -1.262   7.241
   45    HD3  PRO   8           2HD      PRO   8   8.448   0.855   6.617
   46    H    MET   9           H        MET   9  10.639  -2.044   2.434
   47    HA   MET   9           HA       MET   9   8.958  -2.632   0.407
   48    HB3  MET   9           2HB      MET   9  11.153  -3.529   0.343
   49    HG3  MET   9           2HG      MET   9  10.485  -5.379   2.615
   50    HE1  MET   9           3HE      MET   9  14.429  -4.072   2.335
   51    HE2  MET   9           1HE      MET   9  14.395  -4.318   0.588
   52    HE3  MET   9           2HE      MET   9  13.219  -3.248   1.349
   53    H    ALA  10           H        ALA  10   8.872  -4.050   3.631
   54    HA   ALA  10           HA       ALA  10   6.642  -5.777   2.919
   55    HB1  ALA  10           1HB      ALA  10   8.345  -5.454   5.358
   56    HB2  ALA  10           2HB      ALA  10   6.814  -6.328   5.440
   57    HB3  ALA  10           3HB      ALA  10   8.088  -6.882   4.353
   58    H    THR  11           H        THR  11   5.396  -3.741   2.371
   59    HA   THR  11           HA       THR  11   3.558  -3.205   4.501
   60    HB   THR  11           HB       THR  11   4.761  -0.696   3.418
   61    HG1  THR  11           1HG      THR  11   5.801  -1.996   5.724
   62   HG21  THR  11          3HG2      THR  11   2.984  -0.125   4.730
   63   HG22  THR  11          1HG2      THR  11   4.224  -0.196   5.980
   64   HG23  THR  11          2HG2      THR  11   3.130  -1.560   5.744
   65    H    GLU  12           H        GLU  12   1.865  -3.785   3.242
   66    HA   GLU  12           HA       GLU  12   1.530  -2.406   0.665
   67    HB3  GLU  12           2HB      GLU  12  -0.232  -4.216   0.287
   68    HG3  GLU  12           2HG      GLU  12   2.668  -4.944   0.570
   69    H    ILE  13           H        ILE  13   0.245  -0.695   0.736
   70    HA   ILE  13           HA       ILE  13  -1.869  -0.566   2.763
   71    HB   ILE  13           HB       ILE  13  -0.385   1.344   2.741
   72   HG13  ILE  13          2HG1      ILE  13  -3.066   2.053   1.528
   73   HG21  ILE  13          1HG2      ILE  13   0.496   2.173   0.882
   74   HG22  ILE  13          2HG2      ILE  13  -0.403   0.967  -0.039
   75   HG23  ILE  13          3HG2      ILE  13  -1.103   2.560   0.249
   76   HD11  ILE  13          3HD1      ILE  13  -2.439   0.875   4.059
   77   HD12  ILE  13          1HD1      ILE  13  -3.084   2.502   4.286
   78   HD13  ILE  13          2HD1      ILE  13  -4.007   1.305   3.379
   79    H    CYS  14           H        CYS  14  -3.910  -0.927   2.221
   80    HA   CYS  14           HA       CYS  14  -4.665  -0.723  -0.620
   81    HB3  CYS  14           2HB      CYS  14  -6.614  -2.254   0.239
   82    H    PHE  15           H        PHE  15  -6.926  -0.107  -1.039
   83    HA   PHE  15           HA       PHE  15  -7.925   1.787   0.985
   84    HB3  PHE  15           2HB      PHE  15  -8.926   2.764  -1.358
   85    HD1  PHE  15           2HD      PHE  15  -5.285   3.023  -0.952
   86    HD2  PHE  15           1HD      PHE  15  -9.073   4.694   0.033
   87    HE1  PHE  15           2HE      PHE  15  -4.168   5.043  -0.101
   88    HE2  PHE  15           1HE      PHE  15  -7.964   6.718   0.885
   89    HZ   PHE  15           HZ       PHE  15  -5.508   6.893   0.819
   90    H    SER  16           H        SER  16 -10.308   2.400   0.432
   91    HA   SER  16           HA       SER  16 -11.791  -0.088   0.449
   92    HB3  SER  16           2HB      SER  16 -12.488   1.460   2.105
   93    HG   SER  16           HG       SER  16 -13.318   3.593   1.220
   94    H    ASP  17           H        ASP  17 -10.645   1.764  -1.955
   95    HA   ASP  17           HA       ASP  17 -13.008   1.368  -3.669
   96    HB3  ASP  17           2HB      ASP  17 -12.087   3.724  -3.367