*HEADER    DE NOVO PROTEIN                         25-OCT-17   6BEW              
*TITLE     SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN7.2                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: (DHI)P(DAS)(DGN)(DSN)(DGL)P;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_TAXID: 9606                                                 
*KEYWDS    MACROCYCLE, DE NOVO, DE NOVO PROTEIN                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.D.SHORTRIDGE,P.HOSSEINZADEH,F.PARDO-AVILA,G.VARANI,D.BAKER          
*REVDAT   1   27-DEC-17 6BEW    0                                                
# Restraints file 1: binoculars_noe.tbl
!-------------------------------------------------------------------------!
!NOE Table for Binoculars peptide !
!Updated 040617 mds
!11cpp, 7mer his PRO asp gln ser glu PRO 
!Upper case L-Amino Acid
!Lower case D-Amino Acid
!
!! NOE binning !!
!strong     2.5 0.7 0.7
!medium     3.5 1.2 1.2
!weak       4.5 1.6 1.6
!very weak  5.0 2.0 2.0

!TOTAL NOES                = 64 
!long range          (j-i >6)  = 6
!short range    (2 > j-i < 5)  = 6
!sequential          (i to j)  = 14
!intraresidue        (i to i)  = 38

!------------------------------------------------------------------------!


!! BACKBONE NOEs !!
! HA-HN
assign ( resid  1 and name HA   ) ( resid  1 and name HN   ) 4.5 1.6 1.6
assign ( resid  3 and name HA   ) ( resid  3 and name HN   ) 3.5 1.2 1.2
assign ( resid  3 and name HA   ) ( resid  4 and name HN   ) 4.5 1.6 1.6
assign ( resid  4 and name HA   ) ( resid  4 and name HN   ) 3.5 1.2 1.2
assign ( resid  5 and name HA   ) ( resid  6 and name HN   ) 3.5 1.2 1.2
assign ( resid  5 and name HA   ) ( resid  5 and name HN   ) 3.5 1.2 1.2
assign ( resid  6 and name HA   ) ( resid  6 and name HN   ) 3.5 1.2 1.2
assign ( resid  6 and name HA   ) ( resid  1 and name HN   ) 4.5 1.6 1.6
assign ( resid  7 and name HA   ) ( resid  1 and name HN   ) 4.5 1.6 1.6


! HN-HN
assign ( resid  4 and name HN   ) ( resid  3 and name HN   ) 3.5 1.2 1.2
assign ( resid  5 and name HN   ) ( resid  1 and name HN   ) 4.5 1.6 1.6


!! Side Chain !!

assign ( resid  1 and name HB2  ) ( resid  1 and name HD2  ) 3.5 1.2 1.2
assign ( resid  1 and name HB2  ) ( resid  1 and name HN   ) 3.5 1.2 1.2
assign ( resid  1 and name HB1  ) ( resid  1 and name HD2  ) 3.5 1.2 1.2
assign ( resid  1 and name HA   ) ( resid  1 and name HD2  ) 4.5 1.6 1.6
assign ( resid  1 and name HA   ) ( resid  1 and name HE1  ) 4.5 1.6 1.6
assign ( resid  1 and name HA   ) ( resid  4 and name HE21 ) 4.5 1.6 1.6
assign ( resid  1 and name HB2  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
assign ( resid  1 and name HB1  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
assign ( resid  1 and name HB1  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
assign ( resid  1 and name HB1  ) ( resid  4 and name HN   ) 4.5 1.6 1.6



assign ( resid  2 and name HD2  ) ( resid  2 and name HB2  ) 3.5 1.2 1.2
assign ( resid  2 and name HD2  ) ( resid  2 and name HB1  ) 3.5 1.2 1.2
assign ( resid  2 and name HD1  ) ( resid  2 and name HB2  ) 3.5 1.2 1.2
assign ( resid  2 and name HD1  ) ( resid  2 and name HB1  ) 3.5 1.2 1.2
assign ( resid  2 and name HD2  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
assign ( resid  2 and name HD2  ) ( resid  2 and name HA   ) 4.5 1.6 1.6
assign ( resid  2 and name HD2  ) ( resid  2 and name HG2  ) 3.5 1.2 1.2
assign ( resid  2 and name HD2  ) ( resid  2 and name HG1  ) 4.5 1.6 1.6
assign ( resid  2 and name HD1  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
assign ( resid  2 and name HD1  ) ( resid  2 and name HG2  ) 4.5 1.6 1.6
assign ( resid  2 and name HD1  ) ( resid  2 and name HG1  ) 3.5 1.2 1.2
assign ( resid  2 and name HG2  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
assign ( resid  2 and name HG1  ) ( resid  3 and name HN   ) 4.5 1.6 1.6



assign ( resid  3 and name HB#  ) ( resid  3 and name HN   ) 3.5 1.2 1.2
assign ( resid  3 and name HA   ) ( resid  4 and name HE22 ) 4.5 1.6 1.6
assign ( resid  3 and name HB#  ) ( resid  4 and name HN   ) 4.5 1.6 1.6


assign ( resid  4 and name HE22 ) ( resid  4 and name HE21 ) 2.5 0.7 0.7

assign ( resid  4 and name HB#  ) ( resid  4 and name HE22 ) 3.5 1.2 1.2
assign ( resid  4 and name HB#  ) ( resid  4 and name HN   ) 3.5 1.2 1.2
assign ( resid  4 and name HE22 ) ( resid  4 and name HN   ) 3.5 1.2 1.2
assign ( resid  4 and name HB#  ) ( resid  4 and name HE21 ) 4.5 1.6 1.6
assign ( resid  4 and name HG#  ) ( resid  4 and name HE21 ) 4.5 1.6 1.6
assign ( resid  4 and name HG#  ) ( resid  4 and name HN   ) 4.5 1.6 1.6



assign ( resid  5 and name HB1  ) ( resid  6 and name HN   ) 2.5 0.7 0.7

assign ( resid  5 and name HB2  ) ( resid  6 and name HN   ) 3.5 1.2 1.2
assign ( resid  5 and name HB2  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
assign ( resid  5 and name HB1  ) ( resid  5 and name HN   ) 4.5 1.6 1.6



assign ( resid  6 and name HB#  ) ( resid  6 and name HN   ) 2.5 0.7 0.7

assign ( resid  6 and name HG#  ) ( resid  6 and name HN   ) 4.5 1.6 1.6


assign ( resid  7 and name HD2  ) ( resid  6 and name HA   ) 3.5 1.2 1.2
assign ( resid  7 and name HD2  ) ( resid  7 and name HB#  ) 3.5 1.2 1.2
assign ( resid  7 and name HD1  ) ( resid  1 and name HN   ) 3.5 1.2 1.2
assign ( resid  7 and name HD1  ) ( resid  6 and name HA   ) 3.5 1.2 1.2
assign ( resid  7 and name HD1  ) ( resid  7 and name HB#  ) 3.5 1.2 1.2
assign ( resid  7 and name HB#  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
assign ( resid  7 and name HD2  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
assign ( resid  7 and name HD2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
assign ( resid  7 and name HD2  ) ( resid  7 and name HG2  ) 4.5 1.6 1.6
assign ( resid  7 and name HD2  ) ( resid  7 and name HG1  ) 4.5 1.6 1.6
assign ( resid  7 and name HD1  ) ( resid  7 and name HA   ) 4.5 1.6 1.6
assign ( resid  7 and name HD1  ) ( resid  7 and name HG2  ) 4.5 1.6 1.6
assign ( resid  7 and name HG2  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
assign ( resid  7 and name HG1  ) ( resid  1 and name HN   ) 4.5 1.6 1.6

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   DHI   1           H1       DHI   1  27.930  10.210   0.630
    2    HA   DHI   1           HA       DHI   1  30.440  11.800   0.850
    3    HB2  DHI   1           HB1      DHI   1  29.800   8.990   0.040
    4    HB3  DHI   1           HB2      DHI   1  31.380   9.630  -0.210
    5    HD1  DHI   1           HD1      DHI   1  27.970   9.750  -1.810
    6    HD2  DHI   1           HD2      DHI   1  31.850  11.310  -2.300
    7    HE1  DHI   1           HE1      DHI   1  28.070  10.790  -4.090
    8    HE2  DHI   1           HE2      DHI   1  30.480  11.740  -4.460
    9    HA   PRO   2           HA       PRO   2  32.560  10.480   4.010
   10    HB2  PRO   2           HB2      PRO   2  31.810  11.850   6.300
   11    HB3  PRO   2           HB1      PRO   2  32.780  12.480   5.060
   12    HG2  PRO   2           HG2      PRO   2  29.800  12.820   5.400
   13    HG3  PRO   2           HG1      PRO   2  31.000  14.010   4.960
   14    HD2  PRO   2           HD2      PRO   2  29.490  12.660   2.950
   15    HD3  PRO   2           HD1      PRO   2  31.210  13.020   2.680
   16    H    DAS   3           H        DAS   3  29.160   9.780   5.090
   17    HA   DAS   3           HA       DAS   3  28.500   8.040   6.130
   18    HB2  DAS   3           HB1      DAS   3  30.860   8.160   7.790
   19    HB3  DAS   3           HB2      DAS   3  29.420   7.410   8.360
   20    H    DGN   4           H        DGN   4  29.930   7.460   3.760
   21    HA   DGN   4           HA       DGN   4  29.920   4.600   4.120
   22    HB2  DGN   4           HB1      DGN   4  31.880   4.120   2.950
   23    HB3  DGN   4           HB2      DGN   4  32.190   5.250   4.210
   24    HG2  DGN   4           HG1      DGN   4  31.810   6.940   1.930
   25    HG3  DGN   4           HG2      DGN   4  32.780   5.550   1.440
   26   HE21  DGN   4          1HE2      DGN   4  32.800   7.680   4.310
   27   HE22  DGN   4          2HE2      DGN   4  34.590   7.410   4.430
   28    H    DSN   5           H        DSE   5  29.210   7.220   1.930
   29    HA   DSN   5           HA       DSE   5  27.260   5.470   0.720
   30    HB2  DSN   5           HB1      DSE   5  27.880   5.610  -1.480
   31    HB3  DSN   5           HB2      DSE   5  29.470   5.580  -0.760
   32    HG   DSN   5           HG       DSE   5  29.620   7.110  -2.140
   33    H    DGL   6           H        DGU   6  25.830   7.010  -0.990
   34    HA   DGL   6           HA       DGU   6  24.660   8.520   1.220
   35    HB2  DGL   6           HB1      DGU   6  23.310   7.250  -0.380
   36    HB3  DGL   6           HB2      DGU   6  23.710   8.450  -1.620
   37    HG2  DGL   6           HG1      DGU   6  22.870  10.210   0.000
   38    HG3  DGL   6           HG2      DGU   6  22.160   8.970   1.030
   39    HA   PRO   7           HA       PRO   7  25.990  12.510  -0.470
   40    HB2  PRO   7           HB2      PRO   7  26.690  13.310   2.310
   41    HB3  PRO   7           HB1      PRO   7  25.450  13.940   1.190
   42    HG2  PRO   7           HG2      PRO   7  24.960  12.450   3.450
   43    HG3  PRO   7           HG1      PRO   7  23.890  12.690   1.880
   44    HD2  PRO   7           HD2      PRO   7  25.740  10.480   2.780
   45    HD3  PRO   7           HD1      PRO   7  24.150  10.290   2.020
  Start of MODEL    2
    1    H1   DHI   1           H1       DHI   1  27.705  10.563   0.836
    2    HA   DHI   1           HA       DHI   1  29.948  12.530   1.546
    3    HB2  DHI   1           HB1      DHI   1  30.237  10.425  -0.546
    4    HB3  DHI   1           HB2      DHI   1  31.371  11.592   0.017
    5    HD1  DHI   1           HD1      DHI   1  30.817  14.265  -0.429
    6    HD2  DHI   1           HD2      DHI   1  28.640  11.336  -2.514
    7    HE1  DHI   1           HE1      DHI   1  29.563  15.470  -2.143
    8    HE2  DHI   1           HE2      DHI   1  28.202  13.702  -3.538
    9    HA   PRO   2           HA       PRO   2  32.466   9.296   3.040
   10    HB2  PRO   2           HB2      PRO   2  33.639  10.525   5.096
   11    HB3  PRO   2           HB1      PRO   2  33.905  11.094   3.349
   12    HG2  PRO   2           HG2      PRO   2  32.049  12.219   5.466
   13    HG3  PRO   2           HG1      PRO   2  33.242  13.106   4.412
   14    HD2  PRO   2           HD2      PRO   2  30.576  12.779   3.593
   15    HD3  PRO   2           HD1      PRO   2  32.033  12.765   2.550
   16    H    DAS   3           H        DAS   3  29.674   9.916   4.727
   17    HA   DAS   3           HA       DAS   3  28.483   8.587   6.140
   18    HB2  DAS   3           HB1      DAS   3  31.005   8.161   7.812
   19    HB3  DAS   3           HB2      DAS   3  29.347   7.918   8.311
   20    H    DGN   4           H        DGN   4  30.385   7.246   3.941
   21    HA   DGN   4           HA       DGN   4  29.314   4.586   4.619
   22    HB2  DGN   4           HB1      DGN   4  31.130   3.523   4.177
   23    HB3  DGN   4           HB2      DGN   4  31.809   4.971   4.877
   24    HG2  DGN   4           HG1      DGN   4  31.844   4.142   1.854
   25    HG3  DGN   4           HG2      DGN   4  33.108   4.045   2.993
   26   HE21  DGN   4          1HE2      DGN   4  31.220   6.295   1.060
   27   HE22  DGN   4          2HE2      DGN   4  32.361   7.614   1.316
   28    H    DSN   5           H        DSE   5  29.286   7.111   2.353
   29    HA   DSN   5           HA       DSE   5  27.895   5.351   0.339
   30    HB2  DSN   5           HB1      DSE   5  29.307   7.748  -0.511
   31    HB3  DSN   5           HB2      DSE   5  28.468   6.555  -1.412
   32    HG   DSN   5           HG       DSE   5  30.679   6.266  -1.480
   33    H    DGL   6           H        DGU   6  26.412   6.926  -1.170
   34    HA   DGL   6           HA       DGU   6  24.639   8.427   0.518
   35    HB2  DGL   6           HB1      DGU   6  25.002   8.364  -2.480
   36    HB3  DGL   6           HB2      DGU   6  23.918   9.433  -1.734
   37    HG2  DGL   6           HG1      DGU   6  22.697   7.623  -0.606
   38    HG3  DGL   6           HG2      DGU   6  23.813   6.400  -1.398
   39    HA   PRO   7           HA       PRO   7  25.576  12.661  -0.192
   40    HB2  PRO   7           HB2      PRO   7  25.632  12.805   2.769
   41    HB3  PRO   7           HB1      PRO   7  24.905  13.894   1.665
   42    HG2  PRO   7           HG2      PRO   7  23.197  12.105   2.764
   43    HG3  PRO   7           HG1      PRO   7  23.145  12.495   0.959
   44    HD2  PRO   7           HD2      PRO   7  24.533  10.214   2.412
   45    HD3  PRO   7           HD1      PRO   7  23.469  10.100   0.987
  Start of MODEL    3
    1    H1   DHI   1           H1       DHI   1  28.045  11.141   1.931
    2    HA   DHI   1           HA       DHI   1  30.346  12.287   0.866
    3    HB2  DHI   1           HB1      DHI   1  29.817   9.727  -0.549
    4    HB3  DHI   1           HB2      DHI   1  31.368  10.521  -0.470
    5    HD1  DHI   1           HD1      DHI   1  30.505  13.492  -0.955
    6    HD2  DHI   1           HD2      DHI   1  28.611  10.218  -2.847
    7    HE1  DHI   1           HE1      DHI   1  29.387  14.388  -3.100
    8    HE2  DHI   1           HE2      DHI   1  28.326  12.456  -4.240
    9    HA   PRO   2           HA       PRO   2  32.438   9.833   3.764
   10    HB2  PRO   2           HB2      PRO   2  32.230  11.341   6.077
   11    HB3  PRO   2           HB1      PRO   2  33.223  11.866   4.611
   12    HG2  PRO   2           HG2      PRO   2  30.432  12.558   5.451
   13    HG3  PRO   2           HG1      PRO   2  31.796  13.660   5.006
   14    HD2  PRO   2           HD2      PRO   2  29.839  12.938   3.264
   15    HD3  PRO   2           HD1      PRO   2  31.400  12.968   2.532
   16    H    DAS   3           H        DAS   3  29.163   9.721   4.247
   17    HA   DAS   3           HA       DAS   3  27.953   8.091   4.861
   18    HB2  DAS   3           HB1      DAS   3  29.255   8.173   7.567
   19    HB3  DAS   3           HB2      DAS   3  27.734   7.554   7.178
   20    H    DGN   4           H        DGN   4  30.825   7.359   4.024
   21    HA   DGN   4           HA       DGN   4  30.491   4.448   4.344
   22    HB2  DGN   4           HB1      DGN   4  32.263   4.182   2.826
   23    HB3  DGN   4           HB2      DGN   4  32.801   5.287   4.145
   24    HG2  DGN   4           HG1      DGN   4  31.691   6.557   1.702
   25    HG3  DGN   4           HG2      DGN   4  33.129   5.690   1.533
   26   HE21  DGN   4          1HE2      DGN   4  33.676   8.015   1.081
   27   HE22  DGN   4          2HE2      DGN   4  34.124   9.223   2.299
   28    H    DSN   5           H        DSE   5  29.405   7.106   2.315
   29    HA   DSN   5           HA       DSE   5  27.407   5.270   1.152
   30    HB2  DSN   5           HB1      DSE   5  29.360   5.572  -0.591
   31    HB3  DSN   5           HB2      DSE   5  28.874   7.254  -0.559
   32    HG   DSN   5           HG       DSE   5  27.564   5.138  -1.741
   33    H    DGL   6           H        DGU   6  26.295   7.187  -0.497
   34    HA   DGL   6           HA       DGU   6  24.763   8.648   1.520
   35    HB2  DGL   6           HB1      DGU   6  24.074   8.304  -1.400
   36    HB3  DGL   6           HB2      DGU   6  23.240   9.189  -0.209
   37    HG2  DGL   6           HG1      DGU   6  22.960   6.960   1.166
   38    HG3  DGL   6           HG2      DGU   6  23.620   6.164  -0.192
   39    HA   PRO   7           HA       PRO   7  26.279  12.328  -0.604
   40    HB2  PRO   7           HB2      PRO   7  25.937  14.238   1.370
   41    HB3  PRO   7           HB1      PRO   7  24.598  13.542   0.353
   42    HG2  PRO   7           HG2      PRO   7  25.362  12.941   3.178
   43    HG3  PRO   7           HG1      PRO   7  23.873  13.164   2.446
   44    HD2  PRO   7           HD2      PRO   7  25.041  10.616   2.865
   45    HD3  PRO   7           HD1      PRO   7  23.794  10.775   1.567
  Start of MODEL    4
    1    H1   DHI   1           H1       DHI   1  27.847  10.375   1.577
    2    HA   DHI   1           HA       DHI   1  30.225  12.106   1.139
    3    HB2  DHI   1           HB1      DHI   1  29.411   9.827  -0.678
    4    HB3  DHI   1           HB2      DHI   1  31.121  10.174  -0.390
    5    HD1  DHI   1           HD1      DHI   1  32.339  12.257  -1.053
    6    HD2  DHI   1           HD2      DHI   1  28.302  11.931  -2.075
    7    HE1  DHI   1           HE1      DHI   1  31.919  14.156  -2.731
    8    HE2  DHI   1           HE2      DHI   1  29.429  14.035  -3.307
    9    HA   PRO   2           HA       PRO   2  32.827   9.987   3.559
   10    HB2  PRO   2           HB2      PRO   2  32.848  11.260   6.013
   11    HB3  PRO   2           HB1      PRO   2  33.279  12.036   4.432
   12    HG2  PRO   2           HG2      PRO   2  30.606  12.067   5.675
   13    HG3  PRO   2           HG1      PRO   2  31.683  13.437   5.211
   14    HD2  PRO   2           HD2      PRO   2  29.801  12.630   3.420
   15    HD3  PRO   2           HD1      PRO   2  31.410  12.846   2.800
   16    H    DAS   3           H        DAS   3  29.623   9.969   4.763
   17    HA   DAS   3           HA       DAS   3  28.304   8.501   5.824
   18    HB2  DAS   3           HB1      DAS   3  30.652   8.670   7.727
   19    HB3  DAS   3           HB2      DAS   3  29.152   7.824   8.158
   20    H    DGN   4           H        DGN   4  29.664   7.484   3.768
   21    HA   DGN   4           HA       DGN   4  29.746   4.584   4.358
   22    HB2  DGN   4           HB1      DGN   4  31.812   4.152   3.415
   23    HB3  DGN   4           HB2      DGN   4  31.942   5.288   4.764
   24    HG2  DGN   4           HG1      DGN   4  32.080   7.031   2.615
   25    HG3  DGN   4           HG2      DGN   4  32.387   5.559   1.736
   26   HE21  DGN   4          1HE2      DGN   4  33.520   7.324   4.706
   27   HE22  DGN   4          2HE2      DGN   4  35.192   7.100   4.378
   28    H    DSN   5           H        DSE   5  29.037   7.128   2.226
   29    HA   DSN   5           HA       DSE   5  27.402   5.421   0.551
   30    HB2  DSN   5           HB1      DSE   5  29.437   5.295  -0.597
   31    HB3  DSN   5           HB2      DSE   5  29.641   7.091  -0.769
   32    HG   DSN   5           HG       DSE   5  28.667   6.089  -2.612
   33    H    DGL   6           H        DGU   6  26.331   7.068  -1.107
   34    HA   DGL   6           HA       DGU   6  24.667   8.456   0.853
   35    HB2  DGL   6           HB1      DGU   6  24.507   8.211  -2.211
   36    HB3  DGL   6           HB2      DGU   6  23.290   8.959  -1.222
   37    HG2  DGL   6           HG1      DGU   6  23.009   6.814  -0.090
   38    HG3  DGL   6           HG2      DGU   6  24.058   6.042  -1.354
   39    HA   PRO   7           HA       PRO   7  25.762  12.708  -0.003
   40    HB2  PRO   7           HB2      PRO   7  26.248  12.576   2.910
   41    HB3  PRO   7           HB1      PRO   7  25.371  13.808   1.960
   42    HG2  PRO   7           HG2      PRO   7  23.972  11.985   3.399
   43    HG3  PRO   7           HG1      PRO   7  23.434  12.471   1.784
   44    HD2  PRO   7           HD2      PRO   7  25.195  10.080   2.572
   45    HD3  PRO   7           HD1      PRO   7  23.717  10.045   1.420
  Start of MODEL    5
    1    H1   DHI   1           H1       DHI   1  27.811  10.445   1.868
    2    HA   DHI   1           HA       DHI   1  30.189  12.076   1.046
    3    HB2  DHI   1           HB1      DHI   1  29.562  11.006  -0.989
    4    HB3  DHI   1           HB2      DHI   1  29.571   9.440  -0.130
    5    HD1  DHI   1           HD1      DHI   1  32.387  12.122   0.016
    6    HD2  DHI   1           HD2      DHI   1  31.539   8.246  -1.307
    7    HE1  DHI   1           HE1      DHI   1  34.601  11.214  -0.880
    8    HE2  DHI   1           HE2      DHI   1  34.137   8.855  -1.625
    9    HA   PRO   2           HA       PRO   2  32.688  10.006   3.420
   10    HB2  PRO   2           HB2      PRO   2  33.105  11.531   5.659
   11    HB3  PRO   2           HB1      PRO   2  33.573  12.039   4.097
   12    HG2  PRO   2           HG2      PRO   2  30.891  12.724   5.396
   13    HG3  PRO   2           HG1      PRO   2  32.097  13.824   4.649
   14    HD2  PRO   2           HD2      PRO   2  30.014  12.970   3.151
   15    HD3  PRO   2           HD1      PRO   2  31.720  12.945   2.463
   16    H    DAS   3           H        DAS   3  29.612   9.852   4.726
   17    HA   DAS   3           HA       DAS   3  28.580   8.277   5.988
   18    HB2  DAS   3           HB1      DAS   3  30.927   8.175   7.794
   19    HB3  DAS   3           HB2      DAS   3  29.173   8.034   8.189
   20    H    DGN   4           H        DGN   4  30.245   7.382   3.711
   21    HA   DGN   4           HA       DGN   4  29.538   4.617   4.512
   22    HB2  DGN   4           HB1      DGN   4  31.289   3.677   3.360
   23    HB3  DGN   4           HB2      DGN   4  32.010   4.792   4.550
   24    HG2  DGN   4           HG1      DGN   4  31.736   5.360   1.527
   25    HG3  DGN   4           HG2      DGN   4  33.182   4.814   2.353
   26   HE21  DGN   4          1HE2      DGN   4  31.917   7.771   1.307
   27   HE22  DGN   4          2HE2      DGN   4  33.287   8.539   2.092
   28    H    DSN   5           H        DSE   5  28.580   6.988   2.681
   29    HA   DSN   5           HA       DSE   5  27.211   5.429   0.697
   30    HB2  DSN   5           HB1      DSE   5  28.569   6.487  -1.242
   31    HB3  DSN   5           HB2      DSE   5  29.355   5.244  -0.405
   32    HG   DSN   5           HG       DSE   5  30.783   6.550  -0.279
   33    H    DGL   6           H        DGU   6  26.107   6.746  -0.906
   34    HA   DGL   6           HA       DGU   6  24.355   8.359  -0.066
   35    HB2  DGL   6           HB1      DGU   6  24.370   7.496  -2.220
   36    HB3  DGL   6           HB2      DGU   6  25.517   8.653  -2.888
   37    HG2  DGL   6           HG1      DGU   6  24.081  10.309  -3.088
   38    HG3  DGL   6           HG2      DGU   6  23.080   9.913  -1.740
   39    HA   PRO   7           HA       PRO   7  25.682  12.753   0.231
   40    HB2  PRO   7           HB2      PRO   7  25.834  12.384   3.050
   41    HB3  PRO   7           HB1      PRO   7  24.854  13.547   1.954
   42    HG2  PRO   7           HG2      PRO   7  23.666  11.628   3.343
   43    HG3  PRO   7           HG1      PRO   7  23.196  11.941   1.582
   44    HD2  PRO   7           HD2      PRO   7  24.773   9.575   2.449
   45    HD3  PRO   7           HD1      PRO   7  23.649   9.997   1.090
  Start of MODEL    6
    1    H1   DHI   1           H1       DHI   1  27.937  10.645   1.513
    2    HA   DHI   1           HA       DHI   1  29.963  12.522   1.279
    3    HB2  DHI   1           HB1      DHI   1  30.286  10.143  -0.510
    4    HB3  DHI   1           HB2      DHI   1  31.474  11.305   0.070
    5    HD1  DHI   1           HD1      DHI   1  29.409  10.779  -2.723
    6    HD2  DHI   1           HD2      DHI   1  31.049  13.958  -0.710
    7    HE1  DHI   1           HE1      DHI   1  29.257  12.936  -4.403
    8    HE2  DHI   1           HE2      DHI   1  30.307  14.775  -3.178
    9    HA   PRO   2           HA       PRO   2  32.513   9.584   3.210
   10    HB2  PRO   2           HB2      PRO   2  33.260  10.756   5.539
   11    HB3  PRO   2           HB1      PRO   2  33.689  11.453   3.894
   12    HG2  PRO   2           HG2      PRO   2  31.263  12.233   5.572
   13    HG3  PRO   2           HG1      PRO   2  32.635  13.228   4.967
   14    HD2  PRO   2           HD2      PRO   2  30.254  12.827   3.531
   15    HD3  PRO   2           HD1      PRO   2  31.872  12.747   2.686
   16    H    DAS   3           H        DAS   3  29.308   9.646   4.484
   17    HA   DAS   3           HA       DAS   3  28.330   8.365   5.772
   18    HB2  DAS   3           HB1      DAS   3  30.839   8.234   7.602
   19    HB3  DAS   3           HB2      DAS   3  29.322   7.662   8.075
   20    H    DGN   4           H        DGN   4  30.903   7.004   4.131
   21    HA   DGN   4           HA       DGN   4  29.476   4.454   4.541
   22    HB2  DGN   4           HB1      DGN   4  31.240   3.170   4.112
   23    HB3  DGN   4           HB2      DGN   4  31.915   4.490   4.970
   24    HG2  DGN   4           HG1      DGN   4  32.048   4.034   1.986
   25    HG3  DGN   4           HG2      DGN   4  33.336   3.750   3.139
   26   HE21  DGN   4          1HE2      DGN   4  31.316   6.423   1.690
   27   HE22  DGN   4          2HE2      DGN   4  32.552   7.597   1.838
   28    H    DSN   5           H        DSE   5  29.102   7.145   2.625
   29    HA   DSN   5           HA       DSE   5  27.833   5.519   0.505
   30    HB2  DSN   5           HB1      DSE   5  29.549   8.024   0.171
   31    HB3  DSN   5           HB2      DSE   5  28.847   6.912  -1.115
   32    HG   DSN   5           HG       DSE   5  30.998   6.557  -0.866
   33    H    DGL   6           H        DGU   6  26.546   7.062  -0.861
   34    HA   DGL   6           HA       DGU   6  24.611   8.404   0.825
   35    HB2  DGL   6           HB1      DGU   6  23.766   7.350  -1.369
   36    HB3  DGL   6           HB2      DGU   6  25.071   7.976  -2.185
   37    HG2  DGL   6           HG1      DGU   6  23.987  10.121  -2.362
   38    HG3  DGL   6           HG2      DGU   6  22.878   9.779  -1.016
   39    HA   PRO   7           HA       PRO   7  25.696  12.750  -0.397
   40    HB2  PRO   7           HB2      PRO   7  25.924  12.781   2.597
   41    HB3  PRO   7           HB1      PRO   7  25.269  14.084   1.498
   42    HG2  PRO   7           HG2      PRO   7  23.667  12.427   2.962
   43    HG3  PRO   7           HG1      PRO   7  23.182  12.917   1.307
   44    HD2  PRO   7           HD2      PRO   7  24.391  10.309   2.285
   45    HD3  PRO   7           HD1      PRO   7  23.243  10.615   0.989
  Start of MODEL    7
    1    H1   DHI   1           H1       DHI   1  28.024  10.439   1.549
    2    HA   DHI   1           HA       DHI   1  30.481  11.804   0.730
    3    HB2  DHI   1           HB1      DHI   1  29.957   8.886   0.048
    4    HB3  DHI   1           HB2      DHI   1  31.539   9.692  -0.131
    5    HD1  DHI   1           HD1      DHI   1  28.088   9.612  -1.855
    6    HD2  DHI   1           HD2      DHI   1  31.676  11.611  -2.032
    7    HE1  DHI   1           HE1      DHI   1  27.936  11.050  -4.001
    8    HE2  DHI   1           HE2      DHI   1  30.160  12.126  -4.179
    9    HA   PRO   2           HA       PRO   2  32.590  10.735   4.223
   10    HB2  PRO   2           HB2      PRO   2  30.645  12.044   5.916
   11    HB3  PRO   2           HB1      PRO   2  32.474  12.063   5.989
   12    HG2  PRO   2           HG2      PRO   2  31.214  14.117   4.810
   13    HG3  PRO   2           HG1      PRO   2  32.628  13.393   3.995
   14    HD2  PRO   2           HD2      PRO   2  29.693  12.786   3.519
   15    HD3  PRO   2           HD1      PRO   2  31.027  13.003   2.260
   16    H    DAS   3           H        DAS   3  29.296   9.721   4.423
   17    HA   DAS   3           HA       DAS   3  28.198   8.199   5.470
   18    HB2  DAS   3           HB1      DAS   3  30.276   8.030   7.652
   19    HB3  DAS   3           HB2      DAS   3  28.616   7.495   7.784
   20    H    DGN   4           H        DGN   4  30.845   7.484   3.874
   21    HA   DGN   4           HA       DGN   4  30.372   4.571   3.990
   22    HB2  DGN   4           HB1      DGN   4  32.107   4.221   2.613
   23    HB3  DGN   4           HB2      DGN   4  32.697   5.330   3.776
   24    HG2  DGN   4           HG1      DGN   4  31.901   6.127   0.994
   25    HG3  DGN   4           HG2      DGN   4  33.567   5.675   1.542
   26   HE21  DGN   4          1HE2      DGN   4  33.377   8.187   0.402
   27   HE22  DGN   4          2HE2      DGN   4  33.420   9.366   1.777
   28    H    DSN   5           H        DSE   5  29.071   7.143   2.069
   29    HA   DSN   5           HA       DSE   5  27.125   5.299   1.111
   30    HB2  DSN   5           HB1      DSE   5  27.309   5.923  -1.249
   31    HB3  DSN   5           HB2      DSE   5  28.754   5.062  -0.748
   32    HG   DSN   5           HG       DSE   5  29.930   6.670  -1.261
   33    H    DGL   6           H        DGU   6  25.497   6.731  -0.464
   34    HA   DGL   6           HA       DGU   6  24.506   8.688   1.256
   35    HB2  DGL   6           HB1      DGU   6  24.046   8.550  -1.740
   36    HB3  DGL   6           HB2      DGU   6  23.334   9.674  -0.575
   37    HG2  DGL   6           HG1      DGU   6  22.909   6.729  -0.891
   38    HG3  DGL   6           HG2      DGU   6  21.790   7.987  -1.291
   39    HA   PRO   7           HA       PRO   7  26.132  12.504  -0.340
   40    HB2  PRO   7           HB2      PRO   7  26.874  12.780   2.549
   41    HB3  PRO   7           HB1      PRO   7  26.177  14.053   1.443
   42    HG2  PRO   7           HG2      PRO   7  24.423  12.846   3.165
   43    HG3  PRO   7           HG1      PRO   7  24.066  12.969   1.365
   44    HD2  PRO   7           HD2      PRO   7  25.117  10.567   2.805
   45    HD3  PRO   7           HD1      PRO   7  23.791  10.643   1.719
  Start of MODEL    8
    1    H1   DHI   1           H1       DHI   1  27.789  10.460   1.868
    2    HA   DHI   1           HA       DHI   1  29.847  12.363   1.284
    3    HB2  DHI   1           HB1      DHI   1  29.617  10.044  -0.601
    4    HB3  DHI   1           HB2      DHI   1  31.150  10.815  -0.239
    5    HD1  DHI   1           HD1      DHI   1  27.748  11.277  -1.897
    6    HD2  DHI   1           HD2      DHI   1  31.367  13.339  -1.418
    7    HE1  DHI   1           HE1      DHI   1  27.633  13.167  -3.587
    8    HE2  DHI   1           HE2      DHI   1  29.848  14.539  -3.151
    9    HA   PRO   2           HA       PRO   2  32.698   9.423   3.179
   10    HB2  PRO   2           HB2      PRO   2  33.533  10.861   5.318
   11    HB3  PRO   2           HB1      PRO   2  33.992  11.055   3.618
   12    HG2  PRO   2           HG2      PRO   2  31.983  12.570   5.275
   13    HG3  PRO   2           HG1      PRO   2  33.168  13.286   4.241
   14    HD2  PRO   2           HD2      PRO   2  30.797  13.008   3.163
   15    HD3  PRO   2           HD1      PRO   2  32.108  12.606   2.189
   16    H    DAS   3           H        DAS   3  29.764   9.978   4.634
   17    HA   DAS   3           HA       DAS   3  28.477   8.980   5.857
   18    HB2  DAS   3           HB1      DAS   3  30.742   7.749   7.346
   19    HB3  DAS   3           HB2      DAS   3  29.111   7.671   7.933
   20    H    DGN   4           H        DGN   4  30.971   6.936   4.425
   21    HA   DGN   4           HA       DGN   4  29.149   4.577   4.604
   22    HB2  DGN   4           HB1      DGN   4  30.876   3.263   4.201
   23    HB3  DGN   4           HB2      DGN   4  31.655   4.542   5.053
   24    HG2  DGN   4           HG1      DGN   4  31.713   3.911   2.018
   25    HG3  DGN   4           HG2      DGN   4  32.920   3.739   3.293
   26   HE21  DGN   4          1HE2      DGN   4  31.508   6.541   1.250
   27   HE22  DGN   4          2HE2      DGN   4  32.824   7.442   1.875
   28    H    DSN   5           H        DSE   5  29.587   7.086   2.345
   29    HA   DSN   5           HA       DSE   5  27.842   5.561   0.530
   30    HB2  DSN   5           HB1      DSE   5  29.611   7.806  -0.330
   31    HB3  DSN   5           HB2      DSE   5  28.941   6.648  -1.365
   32    HG   DSN   5           HG       DSE   5  31.192   6.473  -0.943
   33    H    DGL   6           H        DGU   6  26.526   6.971  -1.054
   34    HA   DGL   6           HA       DGU   6  24.686   8.316   0.452
   35    HB2  DGL   6           HB1      DGU   6  24.229   7.200  -1.526
   36    HB3  DGL   6           HB2      DGU   6  25.077   8.444  -2.553
   37    HG2  DGL   6           HG1      DGU   6  23.586  10.097  -1.826
   38    HG3  DGL   6           HG2      DGU   6  22.708   8.941  -0.753
   39    HA   PRO   7           HA       PRO   7  25.685  12.679   0.065
   40    HB2  PRO   7           HB2      PRO   7  25.332  13.501   2.678
   41    HB3  PRO   7           HB1      PRO   7  24.039  13.002   1.579
   42    HG2  PRO   7           HG2      PRO   7  25.179  11.380   3.803
   43    HG3  PRO   7           HG1      PRO   7  23.485  11.553   3.264
   44    HD2  PRO   7           HD2      PRO   7  25.083   9.416   2.430
   45    HD3  PRO   7           HD1      PRO   7  23.602  10.031   1.669
  Start of MODEL    9
    1    H1   DHI   1           H1       DHI   1  27.852  10.090   1.631
    2    HA   DHI   1           HA       DHI   1  29.827  12.237   1.588
    3    HB2  DHI   1           HB1      DHI   1  29.467  10.165  -0.594
    4    HB3  DHI   1           HB2      DHI   1  31.053  10.806  -0.112
    5    HD1  DHI   1           HD1      DHI   1  27.704  12.140  -1.510
    6    HD2  DHI   1           HD2      DHI   1  31.893  12.788  -1.501
    7    HE1  DHI   1           HE1      DHI   1  28.310  13.947  -3.355
    8    HE2  DHI   1           HE2      DHI   1  30.757  14.283  -3.124
    9    HA   PRO   2           HA       PRO   2  32.786   9.080   3.165
   10    HB2  PRO   2           HB2      PRO   2  32.737  11.252   5.300
   11    HB3  PRO   2           HB1      PRO   2  34.169  10.322   4.620
   12    HG2  PRO   2           HG2      PRO   2  33.723  12.863   3.810
   13    HG3  PRO   2           HG1      PRO   2  34.257  11.574   2.663
   14    HD2  PRO   2           HD2      PRO   2  31.447  12.708   3.077
   15    HD3  PRO   2           HD1      PRO   2  32.280  12.073   1.654
   16    H    DAS   3           H        DAS   3  29.843  10.165   4.920
   17    HA   DAS   3           HA       DAS   3  28.601   9.007   6.182
   18    HB2  DAS   3           HB1      DAS   3  31.076   8.375   7.783
   19    HB3  DAS   3           HB2      DAS   3  29.462   8.239   8.443
   20    H    DGN   4           H        DGN   4  29.632   7.747   3.866
   21    HA   DGN   4           HA       DGN   4  29.356   4.878   4.539
   22    HB2  DGN   4           HB1      DGN   4  31.448   4.335   3.717
   23    HB3  DGN   4           HB2      DGN   4  31.779   5.532   4.881
   24    HG2  DGN   4           HG1      DGN   4  31.743   7.218   2.959
   25    HG3  DGN   4           HG2      DGN   4  31.698   5.760   1.884
   26   HE21  DGN   4          1HE2      DGN   4  33.535   7.236   4.605
   27   HE22  DGN   4          2HE2      DGN   4  35.137   6.682   4.180
   28    H    DSN   5           H        DSE   5  28.735   7.392   2.315
   29    HA   DSN   5           HA       DSE   5  27.804   5.474   0.258
   30    HB2  DSN   5           HB1      DSE   5  28.916   6.685  -1.495
   31    HB3  DSN   5           HB2      DSE   5  29.951   5.811  -0.450
   32    HG   DSN   5           HG       DSE   5  31.060   7.571  -0.473
   33    H    DGL   6           H        DGU   6  26.344   6.789  -1.169
   34    HA   DGL   6           HA       DGU   6  24.442   8.254  -0.050
   35    HB2  DGL   6           HB1      DGU   6  24.474   7.301  -2.208
   36    HB3  DGL   6           HB2      DGU   6  25.227   8.767  -2.865
   37    HG2  DGL   6           HG1      DGU   6  22.807   8.777  -3.373
   38    HG3  DGL   6           HG2      DGU   6  23.178  10.034  -2.287
   39    HA   PRO   7           HA       PRO   7  25.432  12.485   0.351
   40    HB2  PRO   7           HB2      PRO   7  25.670  11.766   3.207
   41    HB3  PRO   7           HB1      PRO   7  24.857  13.219   2.631
   42    HG2  PRO   7           HG2      PRO   7  23.500  10.954   3.383
   43    HG3  PRO   7           HG1      PRO   7  23.047  11.555   1.772
   44    HD2  PRO   7           HD2      PRO   7  24.949   9.259   2.323
   45    HD3  PRO   7           HD1      PRO   7  23.519   9.425   1.324
  Start of MODEL   10
    1    H1   DHI   1           H1       DHI   1  27.648  10.172   1.257
    2    HA   DHI   1           HA       DHI   1  29.686  12.244   1.540
    3    HB2  DHI   1           HB1      DHI   1  30.123  10.074  -0.533
    4    HB3  DHI   1           HB2      DHI   1  31.169  11.388  -0.131
    5    HD1  DHI   1           HD1      DHI   1  30.789  13.738  -0.666
    6    HD2  DHI   1           HD2      DHI   1  28.415  10.887  -2.565
    7    HE1  DHI   1           HE1      DHI   1  29.949  14.832  -2.904
    8    HE2  DHI   1           HE2      DHI   1  28.627  12.968  -4.055
    9    HA   PRO   2           HA       PRO   2  32.743   9.404   3.094
   10    HB2  PRO   2           HB2      PRO   2  33.529  10.720   5.376
   11    HB3  PRO   2           HB1      PRO   2  33.850  11.286   3.706
   12    HG2  PRO   2           HG2      PRO   2  31.481  12.111   5.429
   13    HG3  PRO   2           HG1      PRO   2  32.776  13.142   4.614
   14    HD2  PRO   2           HD2      PRO   2  30.347  12.632   3.431
   15    HD3  PRO   2           HD1      PRO   2  31.877  12.850   2.550
   16    H    DAS   3           H        DAS   3  29.807  10.194   4.905
   17    HA   DAS   3           HA       DAS   3  28.541   8.803   6.067
   18    HB2  DAS   3           HB1      DAS   3  31.048   8.256   7.701
   19    HB3  DAS   3           HB2      DAS   3  29.459   7.896   8.249
   20    H    DGN   4           H        DGN   4  29.781   7.512   3.872
   21    HA   DGN   4           HA       DGN   4  28.924   4.732   4.524
   22    HB2  DGN   4           HB1      DGN   4  30.950   3.604   3.842
   23    HB3  DGN   4           HB2      DGN   4  31.301   4.738   5.049
   24    HG2  DGN   4           HG1      DGN   4  31.937   6.317   2.941
   25    HG3  DGN   4           HG2      DGN   4  31.932   4.709   2.112
   26   HE21  DGN   4          1HE2      DGN   4  33.133   6.705   4.716
   27   HE22  DGN   4          2HE2      DGN   4  34.697   5.789   4.982
   28    H    DSN   5           H        DSE   5  29.411   7.178   2.243
   29    HA   DSN   5           HA       DSE   5  27.935   5.531   0.232
   30    HB2  DSN   5           HB1      DSE   5  30.070   7.692  -0.319
   31    HB3  DSN   5           HB2      DSE   5  29.085   6.983  -1.528
   32    HG   DSN   5           HG       DSE   5  31.080   5.747  -1.273
   33    H    DGL   6           H        DGU   6  26.595   6.883  -1.274
   34    HA   DGL   6           HA       DGU   6  24.875   8.143   0.411
   35    HB2  DGL   6           HB1      DGU   6  24.931   8.544  -2.557
   36    HB3  DGL   6           HB2      DGU   6  23.599   9.058  -1.510
   37    HG2  DGL   6           HG1      DGU   6  24.572   6.071  -1.801
   38    HG3  DGL   6           HG2      DGU   6  23.176   6.869  -2.588
   39    HA   PRO   7           HA       PRO   7  25.437  12.652   0.354
   40    HB2  PRO   7           HB2      PRO   7  26.087  11.998   3.221
   41    HB3  PRO   7           HB1      PRO   7  25.066  13.308   2.604
   42    HG2  PRO   7           HG2      PRO   7  23.652  11.320   3.590
   43    HG3  PRO   7           HG1      PRO   7  23.242  11.859   1.976
   44    HD2  PRO   7           HD2      PRO   7  24.983   9.479   2.515
   45    HD3  PRO   7           HD1      PRO   7  23.591   9.562   1.466
  Start of MODEL   11
    1    H1   DHI   1           H1       DHI   1  27.867  10.294   1.218
    2    HA   DHI   1           HA       DHI   1  30.365  11.865   0.913
    3    HB2  DHI   1           HB1      DHI   1  29.540   9.062  -0.132
    4    HB3  DHI   1           HB2      DHI   1  31.246   9.680  -0.004
    5    HD1  DHI   1           HD1      DHI   1  28.217   9.927  -2.362
    6    HD2  DHI   1           HD2      DHI   1  31.764  12.003  -1.242
    7    HE1  DHI   1           HE1      DHI   1  28.729  11.428  -4.224
    8    HE2  DHI   1           HE2      DHI   1  30.866  12.775  -3.607
    9    HA   PRO   2           HA       PRO   2  32.787  10.313   3.755
   10    HB2  PRO   2           HB2      PRO   2  31.023  11.808   5.780
   11    HB3  PRO   2           HB1      PRO   2  32.842  11.839   5.843
   12    HG2  PRO   2           HG2      PRO   2  31.689  13.945   4.703
   13    HG3  PRO   2           HG1      PRO   2  32.801  12.936   3.692
   14    HD2  PRO   2           HD2      PRO   2  29.710  12.647   3.804
   15    HD3  PRO   2           HD1      PRO   2  30.702  12.962   2.461
   16    H    DAS   3           H        DAS   3  29.351  10.031   4.834
   17    HA   DAS   3           HA       DAS   3  28.210   8.555   5.843
   18    HB2  DAS   3           HB1      DAS   3  30.503   8.034   7.778
   19    HB3  DAS   3           HB2      DAS   3  28.712   7.670   7.937
   20    H    DGN   4           H        DGN   4  30.478   7.566   3.773
   21    HA   DGN   4           HA       DGN   4  29.961   4.665   4.230
   22    HB2  DGN   4           HB1      DGN   4  31.951   4.132   3.026
   23    HB3  DGN   4           HB2      DGN   4  32.314   5.245   4.305
   24    HG2  DGN   4           HG1      DGN   4  32.078   7.160   2.373
   25    HG3  DGN   4           HG2      DGN   4  32.447   5.800   1.361
   26   HE21  DGN   4          1HE2      DGN   4  33.549   7.631   4.325
   27   HE22  DGN   4          2HE2      DGN   4  35.159   7.013   4.321
   28    H    DSN   5           H        DSE   5  29.009   7.220   2.027
   29    HA   DSN   5           HA       DSE   5  27.219   5.389   0.910
   30    HB2  DSN   5           HB1      DSE   5  27.685   5.430  -1.329
   31    HB3  DSN   5           HB2      DSE   5  29.354   5.179  -0.674
   32    HG   DSN   5           HG       DSE   5  29.118   6.790  -2.327
   33    H    DGL   6           H        DGU   6  25.918   6.901  -0.939
   34    HA   DGL   6           HA       DGU   6  24.524   8.439   0.938
   35    HB2  DGL   6           HB1      DGU   6  24.344   7.967  -2.008
   36    HB3  DGL   6           HB2      DGU   6  23.647   9.405  -1.416
   37    HG2  DGL   6           HG1      DGU   6  22.192   7.973   0.252
   38    HG3  DGL   6           HG2      DGU   6  22.980   6.590  -0.422
   39    HA   PRO   7           HA       PRO   7  25.799  12.767   0.005
   40    HB2  PRO   7           HB2      PRO   7  26.604  12.332   2.891
   41    HB3  PRO   7           HB1      PRO   7  25.931  13.832   2.116
   42    HG2  PRO   7           HG2      PRO   7  24.572  12.101   3.724
   43    HG3  PRO   7           HG1      PRO   7  23.800  12.829   2.179
   44    HD2  PRO   7           HD2      PRO   7  25.012  10.125   2.625
   45    HD3  PRO   7           HD1      PRO   7  23.601  10.540   1.604
  Start of MODEL   12
    1    H1   DHI   1           H1       DHI   1  27.914  10.597   1.244
    2    HA   DHI   1           HA       DHI   1  30.610  11.613   0.405
    3    HB2  DHI   1           HB1      DHI   1  29.526   8.858  -0.144
    4    HB3  DHI   1           HB2      DHI   1  31.176   9.365  -0.377
    5    HD1  DHI   1           HD1      DHI   1  27.714  10.187  -1.784
    6    HD2  DHI   1           HD2      DHI   1  31.783  10.904  -2.434
    7    HE1  DHI   1           HE1      DHI   1  27.958  11.030  -4.317
    8    HE2  DHI   1           HE2      DHI   1  30.402  11.719  -4.390
    9    HA   PRO   2           HA       PRO   2  32.312  10.814   4.203
   10    HB2  PRO   2           HB2      PRO   2  30.163  11.980   5.845
   11    HB3  PRO   2           HB1      PRO   2  31.832  12.221   5.998
   12    HG2  PRO   2           HG2      PRO   2  30.377  13.987   4.482
   13    HG3  PRO   2           HG1      PRO   2  32.012  13.441   3.972
   14    HD2  PRO   2           HD2      PRO   2  29.258  12.625   3.015
   15    HD3  PRO   2           HD1      PRO   2  30.829  12.935   2.095
   16    H    DAS   3           H        DAS   3  28.957   9.516   4.244
   17    HA   DAS   3           HA       DAS   3  27.927   7.825   5.060
   18    HB2  DAS   3           HB1      DAS   3  29.465   7.683   7.583
   19    HB3  DAS   3           HB2      DAS   3  27.841   7.298   7.220
   20    H    DGN   4           H        DGN   4  31.015   7.248   3.974
   21    HA   DGN   4           HA       DGN   4  30.585   4.351   4.113
   22    HB2  DGN   4           HB1      DGN   4  32.106   4.292   2.222
   23    HB3  DGN   4           HB2      DGN   4  32.736   4.798   3.717
   24    HG2  DGN   4           HG1      DGN   4  31.893   6.742   1.523
   25    HG3  DGN   4           HG2      DGN   4  33.296   5.945   1.336
   26   HE21  DGN   4          1HE2      DGN   4  32.941   9.048   2.156
   27   HE22  DGN   4          2HE2      DGN   4  34.005   9.070   3.538
   28    H    DSN   5           H        DSE   5  29.854   7.049   1.788
   29    HA   DSN   5           HA       DSE   5  27.443   5.471   1.068
   30    HB2  DSN   5           HB1      DSE   5  27.387   6.277  -1.192
   31    HB3  DSN   5           HB2      DSE   5  28.387   5.001  -0.801
   32    HG   DSN   5           HG       DSE   5  29.520   6.570  -2.076
   33    H    DGL   6           H        DGU   6  25.556   6.727   0.512
   34    HA   DGL   6           HA       DGU   6  25.038   8.954   2.039
   35    HB2  DGL   6           HB1      DGU   6  23.754   8.620  -0.641
   36    HB3  DGL   6           HB2      DGU   6  23.185   9.637   0.741
   37    HG2  DGL   6           HG1      DGU   6  21.891   7.561   0.940
   38    HG3  DGL   6           HG2      DGU   6  23.173   7.587   2.152
   39    HA   PRO   7           HA       PRO   7  26.058  12.415  -0.673
   40    HB2  PRO   7           HB2      PRO   7  26.801  13.567   1.941
   41    HB3  PRO   7           HB1      PRO   7  25.919  14.411   0.538
   42    HG2  PRO   7           HG2      PRO   7  24.489  13.507   2.763
   43    HG3  PRO   7           HG1      PRO   7  23.866  13.206   1.120
   44    HD2  PRO   7           HD2      PRO   7  25.476  11.337   2.794
   45    HD3  PRO   7           HD1      PRO   7  23.870  11.206   1.828
  Start of MODEL   13
    1    H1   DHI   1           H1       DHI   1  27.808  10.579   0.844
    2    HA   DHI   1           HA       DHI   1  30.482  11.949   0.780
    3    HB2  DHI   1           HB1      DHI   1  29.368   9.410  -0.340
    4    HB3  DHI   1           HB2      DHI   1  31.019   9.766  -0.303
    5    HD1  DHI   1           HD1      DHI   1  28.026  10.286  -2.275
    6    HD2  DHI   1           HD2      DHI   1  31.667  12.269  -1.810
    7    HE1  DHI   1           HE1      DHI   1  28.365  11.686  -4.423
    8    HE2  DHI   1           HE2      DHI   1  30.560  12.978  -4.078
    9    HA   PRO   2           HA       PRO   2  32.493  10.143   3.968
   10    HB2  PRO   2           HB2      PRO   2  32.353  11.819   5.980
   11    HB3  PRO   2           HB1      PRO   2  33.049  12.278   4.442
   12    HG2  PRO   2           HG2      PRO   2  30.257  12.830   5.434
   13    HG3  PRO   2           HG1      PRO   2  31.332  13.978   4.721
   14    HD2  PRO   2           HD2      PRO   2  29.492  12.817   3.151
   15    HD3  PRO   2           HD1      PRO   2  31.101  13.129   2.465
   16    H    DAS   3           H        DAS   3  29.248   9.500   4.178
   17    HA   DAS   3           HA       DAS   3  28.053   8.174   5.307
   18    HB2  DAS   3           HB1      DAS   3  29.898   8.001   7.484
   19    HB3  DAS   3           HB2      DAS   3  28.244   7.382   7.450
   20    H    DGN   4           H        DGN   4  30.979   7.130   3.997
   21    HA   DGN   4           HA       DGN   4  30.389   4.340   4.293
   22    HB2  DGN   4           HB1      DGN   4  32.203   4.017   2.633
   23    HB3  DGN   4           HB2      DGN   4  32.628   5.066   4.009
   24    HG2  DGN   4           HG1      DGN   4  31.751   6.101   1.282
   25    HG3  DGN   4           HG2      DGN   4  33.308   5.508   1.573
   26   HE21  DGN   4          1HE2      DGN   4  33.389   8.112   0.749
   27   HE22  DGN   4          2HE2      DGN   4  33.629   9.239   2.080
   28    H    DSN   5           H        DSE   5  29.466   6.976   2.134
   29    HA   DSN   5           HA       DSE   5  27.246   5.281   1.364
   30    HB2  DSN   5           HB1      DSE   5  27.416   5.569  -0.997
   31    HB3  DSN   5           HB2      DSE   5  28.787   4.691  -0.298
   32    HG   DSN   5           HG       DSE   5  29.916   6.261  -1.018
   33    H    DGL   6           H        DGU   6  25.692   6.723  -0.203
   34    HA   DGL   6           HA       DGU   6  24.849   8.707   1.341
   35    HB2  DGL   6           HB1      DGU   6  24.631   8.298  -1.679
   36    HB3  DGL   6           HB2      DGU   6  23.528   9.354  -0.895
   37    HG2  DGL   6           HG1      DGU   6  22.440   7.310  -1.429
   38    HG3  DGL   6           HG2      DGU   6  22.385   7.633   0.227
   39    HA   PRO   7           HA       PRO   7  26.024  12.703  -0.537
   40    HB2  PRO   7           HB2      PRO   7  26.465  13.669   2.308
   41    HB3  PRO   7           HB1      PRO   7  25.465  14.341   0.985
   42    HG2  PRO   7           HG2      PRO   7  24.495  12.936   3.225
   43    HG3  PRO   7           HG1      PRO   7  23.640  13.071   1.748
   44    HD2  PRO   7           HD2      PRO   7  25.296  10.681   2.681
   45    HD3  PRO   7           HD1      PRO   7  23.797  10.862   1.568
  Start of MODEL   14
    1    H1   DHI   1           H1       DHI   1  27.727  10.296   1.994
    2    HA   DHI   1           HA       DHI   1  29.643  12.256   1.582
    3    HB2  DHI   1           HB1      DHI   1  29.105  10.264  -0.525
    4    HB3  DHI   1           HB2      DHI   1  30.809  10.726  -0.394
    5    HD1  DHI   1           HD1      DHI   1  27.577  11.843  -1.859
    6    HD2  DHI   1           HD2      DHI   1  31.381  13.334  -0.744
    7    HE1  DHI   1           HE1      DHI   1  27.677  14.313  -2.611
    8    HE2  DHI   1           HE2      DHI   1  30.080  15.050  -2.205
    9    HA   PRO   2           HA       PRO   2  32.763   9.272   2.988
   10    HB2  PRO   2           HB2      PRO   2  33.182  11.372   4.970
   11    HB3  PRO   2           HB1      PRO   2  34.408  10.544   3.904
   12    HG2  PRO   2           HG2      PRO   2  33.645  12.997   3.296
   13    HG3  PRO   2           HG1      PRO   2  33.754  11.718   2.076
   14    HD2  PRO   2           HD2      PRO   2  31.344  12.813   3.690
   15    HD3  PRO   2           HD1      PRO   2  31.459  12.635   1.967
   16    H    DAS   3           H        DAS   3  29.871   9.935   4.760
   17    HA   DAS   3           HA       DAS   3  28.862   9.044   6.383
   18    HB2  DAS   3           HB1      DAS   3  31.230   8.045   7.838
   19    HB3  DAS   3           HB2      DAS   3  29.603   8.331   8.342
   20    H    DGN   4           H        DGN   4  30.210   7.347   3.909
   21    HA   DGN   4           HA       DGN   4  28.573   4.983   4.647
   22    HB2  DGN   4           HB1      DGN   4  30.329   3.644   4.558
   23    HB3  DGN   4           HB2      DGN   4  31.194   5.075   5.113
   24    HG2  DGN   4           HG1      DGN   4  30.991   4.202   2.231
   25    HG3  DGN   4           HG2      DGN   4  32.182   3.556   3.261
   26   HE21  DGN   4          1HE2      DGN   4  31.142   6.534   1.421
   27   HE22  DGN   4          2HE2      DGN   4  32.558   7.407   1.769
   28    H    DSN   5           H        DSE   5  29.229   7.335   2.246
   29    HA   DSN   5           HA       DSE   5  28.004   5.647   0.148
   30    HB2  DSN   5           HB1      DSE   5  29.388   6.832  -1.517
   31    HB3  DSN   5           HB2      DSE   5  30.373   6.056  -0.358
   32    HG   DSN   5           HG       DSE   5  31.026   8.259  -0.824
   33    H    DGL   6           H        DGU   6  26.916   7.079  -1.293
   34    HA   DGL   6           HA       DGU   6  24.742   8.137  -0.017
   35    HB2  DGL   6           HB1      DGU   6  25.296   8.819  -2.965
   36    HB3  DGL   6           HB2      DGU   6  23.793   8.909  -2.087
   37    HG2  DGL   6           HG1      DGU   6  23.467   6.994  -3.116
   38    HG3  DGL   6           HG2      DGU   6  24.193   6.344  -1.694
   39    HA   PRO   7           HA       PRO   7  25.236  12.524   0.461
   40    HB2  PRO   7           HB2      PRO   7  25.735  11.935   3.288
   41    HB3  PRO   7           HB1      PRO   7  24.526  13.021   2.515
   42    HG2  PRO   7           HG2      PRO   7  23.748  10.566   3.551
   43    HG3  PRO   7           HG1      PRO   7  22.997  11.290   2.126
   44    HD2  PRO   7           HD2      PRO   7  24.844   9.064   2.181
   45    HD3  PRO   7           HD1      PRO   7  23.479   9.501   1.073
  Start of MODEL   15
    1    H1   DHI   1           H1       DHI   1  27.992  10.217   0.650
    2    HA   DHI   1           HA       DHI   1  29.935  12.349   1.140
    3    HB2  DHI   1           HB1      DHI   1  30.296   9.933  -0.622
    4    HB3  DHI   1           HB2      DHI   1  31.366  11.356  -0.631
    5    HD1  DHI   1           HD1      DHI   1  28.736   9.737  -2.565
    6    HD2  DHI   1           HD2      DHI   1  29.704  13.609  -1.218
    7    HE1  DHI   1           HE1      DHI   1  27.490  11.303  -4.132
    8    HE2  DHI   1           HE2      DHI   1  27.962  13.671  -3.319
    9    HA   PRO   2           HA       PRO   2  32.900   9.638   3.293
   10    HB2  PRO   2           HB2      PRO   2  32.313  11.463   5.543
   11    HB3  PRO   2           HB1      PRO   2  33.806  10.758   5.008
   12    HG2  PRO   2           HG2      PRO   2  33.167  13.361   4.214
   13    HG3  PRO   2           HG1      PRO   2  34.141  12.240   3.299
   14    HD2  PRO   2           HD2      PRO   2  31.319  12.963   2.777
   15    HD3  PRO   2           HD1      PRO   2  32.563  12.441   1.682
   16    H    DAS   3           H        DAS   3  29.788  10.463   4.658
   17    HA   DAS   3           HA       DAS   3  28.214   9.346   5.810
   18    HB2  DAS   3           HB1      DAS   3  30.414   7.852   7.158
   19    HB3  DAS   3           HB2      DAS   3  28.647   8.103   7.645
   20    H    DGN   4           H        DGN   4  30.688   7.139   4.559
   21    HA   DGN   4           HA       DGN   4  29.255   4.725   4.655
   22    HB2  DGN   4           HB1      DGN   4  31.088   3.694   4.009
   23    HB3  DGN   4           HB2      DGN   4  31.693   5.084   4.965
   24    HG2  DGN   4           HG1      DGN   4  31.680   4.684   1.948
   25    HG3  DGN   4           HG2      DGN   4  32.956   4.245   3.001
   26   HE21  DGN   4          1HE2      DGN   4  31.517   7.124   1.356
   27   HE22  DGN   4          2HE2      DGN   4  32.904   8.040   1.692
   28    H    DSN   5           H        DSE   5  28.798   7.213   2.410
   29    HA   DSN   5           HA       DSE   5  27.657   5.426   0.581
   30    HB2  DSN   5           HB1      DSE   5  29.062   5.889  -1.389
   31    HB3  DSN   5           HB2      DSE   5  29.916   5.073  -0.056
   32    HG   DSN   5           HG       DSE   5  29.983   7.852  -0.327
   33    H    DGL   6           H        DGU   6  25.799   6.606   0.085
   34    HA   DGL   6           HA       DGU   6  24.333   8.390  -0.015
   35    HB2  DGL   6           HB1      DGU   6  25.739   8.760  -2.490
   36    HB3  DGL   6           HB2      DGU   6  24.024   8.995  -2.083
   37    HG2  DGL   6           HG1      DGU   6  24.146   7.116  -3.392
   38    HG3  DGL   6           HG2      DGU   6  23.982   6.475  -1.688
   39    HA   PRO   7           HA       PRO   7  25.536  12.352   1.171
   40    HB2  PRO   7           HB2      PRO   7  25.887  12.414   3.820
   41    HB3  PRO   7           HB1      PRO   7  24.474  11.686   3.048
   42    HG2  PRO   7           HG2      PRO   7  26.947  10.146   3.991
   43    HG3  PRO   7           HG1      PRO   7  25.234  10.076   4.524
   44    HD2  PRO   7           HD2      PRO   7  26.391   8.554   2.434
   45    HD3  PRO   7           HD1      PRO   7  24.679   9.001   2.428
  Start of MODEL   16
    1    H1   DHI   1           H1       DHI   1  27.736  10.455   0.932
    2    HA   DHI   1           HA       DHI   1  29.591  12.498   2.074
    3    HB2  DHI   1           HB1      DHI   1  29.972  10.722  -0.372
    4    HB3  DHI   1           HB2      DHI   1  31.164  11.784   0.126
    5    HD1  DHI   1           HD1      DHI   1  27.993  11.833  -1.872
    6    HD2  DHI   1           HD2      DHI   1  30.649  14.608  -0.171
    7    HE1  DHI   1           HE1      DHI   1  27.549  14.129  -2.972
    8    HE2  DHI   1           HE2      DHI   1  29.377  15.630  -2.170
    9    HA   PRO   2           HA       PRO   2  32.792   9.290   2.968
   10    HB2  PRO   2           HB2      PRO   2  33.202  11.229   5.201
   11    HB3  PRO   2           HB1      PRO   2  34.329  10.356   4.283
   12    HG2  PRO   2           HG2      PRO   2  33.975  12.979   3.589
   13    HG3  PRO   2           HG1      PRO   2  33.997  11.843   2.247
   14    HD2  PRO   2           HD2      PRO   2  31.487  12.845   3.590
   15    HD3  PRO   2           HD1      PRO   2  31.913  12.659   1.943
   16    H    DAS   3           H        DAS   3  30.288  10.258   4.993
   17    HA   DAS   3           HA       DAS   3  28.918   9.112   6.384
   18    HB2  DAS   3           HB1      DAS   3  31.323   7.895   7.520
   19    HB3  DAS   3           HB2      DAS   3  29.735   8.083   8.297
   20    H    DGN   4           H        DGN   4  30.517   7.349   4.163
   21    HA   DGN   4           HA       DGN   4  29.286   4.747   4.747
   22    HB2  DGN   4           HB1      DGN   4  31.130   3.751   3.965
   23    HB3  DGN   4           HB2      DGN   4  31.867   5.271   4.436
   24    HG2  DGN   4           HG1      DGN   4  31.166   4.658   1.603
   25    HG3  DGN   4           HG2      DGN   4  32.728   4.308   2.342
   26   HE21  DGN   4          1HE2      DGN   4  31.126   6.764   0.558
   27   HE22  DGN   4          2HE2      DGN   4  31.945   8.155   1.271
   28    H    DSN   5           H        DSE   5  29.270   7.001   2.088
   29    HA   DSN   5           HA       DSE   5  27.020   5.597   0.996
   30    HB2  DSN   5           HB1      DSE   5  27.956   5.621  -1.242
   31    HB3  DSN   5           HB2      DSE   5  28.855   4.454  -0.277
   32    HG   DSN   5           HG       DSE   5  30.134   6.059  -1.631
   33    H    DGL   6           H        DGU   6  25.496   6.831  -0.218
   34    HA   DGL   6           HA       DGU   6  24.455   8.542  -1.099
   35    HB2  DGL   6           HB1      DGU   6  26.969   8.595  -2.663
   36    HB3  DGL   6           HB2      DGU   6  25.476   9.258  -3.133
   37    HG2  DGL   6           HG1      DGU   6  24.434   6.990  -2.919
   38    HG3  DGL   6           HG2      DGU   6  26.065   6.401  -2.660
   39    HA   PRO   7           HA       PRO   7  25.483  12.480   0.274
   40    HB2  PRO   7           HB2      PRO   7  24.617  12.786   2.796
   41    HB3  PRO   7           HB1      PRO   7  23.615  12.417   1.422
   42    HG2  PRO   7           HG2      PRO   7  24.626  10.569   3.559
   43    HG3  PRO   7           HG1      PRO   7  23.064  10.502   2.751
   44    HD2  PRO   7           HD2      PRO   7  25.136   8.879   2.100
   45    HD3  PRO   7           HD1      PRO   7  23.736   9.348   0.989
  Start of MODEL   17
    1    H1   DHI   1           H1       DHI   1  28.002  10.101   1.602
    2    HA   DHI   1           HA       DHI   1  29.782  12.377   1.898
    3    HB2  DHI   1           HB1      DHI   1  29.645  10.639  -0.624
    4    HB3  DHI   1           HB2      DHI   1  31.060  11.524  -0.138
    5    HD1  DHI   1           HD1      DHI   1  27.249  12.244  -1.033
    6    HD2  DHI   1           HD2      DHI   1  31.072  14.069  -1.193
    7    HE1  DHI   1           HE1      DHI   1  27.087  14.220  -2.571
    8    HE2  DHI   1           HE2      DHI   1  29.252  15.388  -2.491
    9    HA   PRO   2           HA       PRO   2  32.834   9.295   2.995
   10    HB2  PRO   2           HB2      PRO   2  33.165  11.627   4.908
   11    HB3  PRO   2           HB1      PRO   2  34.408  10.450   4.393
   12    HG2  PRO   2           HG2      PRO   2  34.187  12.769   3.168
   13    HG3  PRO   2           HG1      PRO   2  34.044  11.245   2.067
   14    HD2  PRO   2           HD2      PRO   2  31.826  12.973   3.162
   15    HD3  PRO   2           HD1      PRO   2  32.055  12.464   1.507
   16    H    DAS   3           H        DAS   3  30.169  10.433   4.779
   17    HA   DAS   3           HA       DAS   3  28.676   9.309   5.684
   18    HB2  DAS   3           HB1      DAS   3  30.623   8.459   7.785
   19    HB3  DAS   3           HB2      DAS   3  28.871   8.690   7.969
   20    H    DGN   4           H        DGN   4  30.182   7.515   3.786
   21    HA   DGN   4           HA       DGN   4  29.002   4.995   4.781
   22    HB2  DGN   4           HB1      DGN   4  30.797   3.797   4.388
   23    HB3  DGN   4           HB2      DGN   4  31.554   5.324   4.790
   24    HG2  DGN   4           HG1      DGN   4  31.200   4.270   1.985
   25    HG3  DGN   4           HG2      DGN   4  32.645   4.196   2.889
   26   HE21  DGN   4          1HE2      DGN   4  30.901   6.398   0.543
   27   HE22  DGN   4          2HE2      DGN   4  31.729   7.704   1.061
   28    H    DSN   5           H        DSE   5  29.209   7.098   1.929
   29    HA   DSN   5           HA       DSE   5  27.013   5.726   0.842
   30    HB2  DSN   5           HB1      DSE   5  27.988   5.660  -1.484
   31    HB3  DSN   5           HB2      DSE   5  28.586   4.352  -0.416
   32    HG   DSN   5           HG       DSE   5  30.012   6.071  -1.769
   33    H    DGL   6           H        DGU   6  25.748   6.758  -0.568
   34    HA   DGL   6           HA       DGU   6  24.614   8.500  -1.114
   35    HB2  DGL   6           HB1      DGU   6  27.135   9.152  -2.597
   36    HB3  DGL   6           HB2      DGU   6  25.591   9.729  -3.093
   37    HG2  DGL   6           HG1      DGU   6  24.969   7.654  -3.828
   38    HG3  DGL   6           HG2      DGU   6  26.333   6.752  -3.100
   39    HA   PRO   7           HA       PRO   7  25.129  12.096   1.300
   40    HB2  PRO   7           HB2      PRO   7  26.056  10.793   3.710
   41    HB3  PRO   7           HB1      PRO   7  24.631  11.982   3.335
   42    HG2  PRO   7           HG2      PRO   7  24.191   9.269   3.788
   43    HG3  PRO   7           HG1      PRO   7  23.226  10.234   2.563
   44    HD2  PRO   7           HD2      PRO   7  25.570   8.411   2.320
   45    HD3  PRO   7           HD1      PRO   7  24.249   8.468   1.255
  Start of MODEL   18
    1    H1   DHI   1           H1       DHI   1  28.173  10.066   1.257
    2    HA   DHI   1           HA       DHI   1  30.027  12.450   1.456
    3    HB2  DHI   1           HB1      DHI   1  30.532  10.404  -0.617
    4    HB3  DHI   1           HB2      DHI   1  31.548  11.779  -0.168
    5    HD1  DHI   1           HD1      DHI   1  30.150  14.261  -0.534
    6    HD2  DHI   1           HD2      DHI   1  28.411  10.817  -2.250
    7    HE1  DHI   1           HE1      DHI   1  28.615  15.079  -2.450
    8    HE2  DHI   1           HE2      DHI   1  27.504  12.935  -3.310
    9    HA   PRO   2           HA       PRO   2  33.081   9.752   3.433
   10    HB2  PRO   2           HB2      PRO   2  32.364  11.723   5.529
   11    HB3  PRO   2           HB1      PRO   2  33.962  10.954   5.298
   12    HG2  PRO   2           HG2      PRO   2  33.710  13.257   4.275
   13    HG3  PRO   2           HG1      PRO   2  34.249  12.072   3.047
   14    HD2  PRO   2           HD2      PRO   2  31.457  13.154   3.455
   15    HD3  PRO   2           HD1      PRO   2  32.303  12.836   1.946
   16    H    DAS   3           H        DAS   3  29.859  10.423   4.615
   17    HA   DAS   3           HA       DAS   3  28.344   9.185   5.292
   18    HB2  DAS   3           HB1      DAS   3  30.156   8.461   7.529
   19    HB3  DAS   3           HB2      DAS   3  28.330   8.406   7.531
   20    H    DGN   4           H        DGN   4  30.676   7.459   3.922
   21    HA   DGN   4           HA       DGN   4  29.644   4.787   4.627
   22    HB2  DGN   4           HB1      DGN   4  31.282   3.924   3.534
   23    HB3  DGN   4           HB2      DGN   4  32.028   5.398   4.082
   24    HG2  DGN   4           HG1      DGN   4  31.239   4.660   1.238
   25    HG3  DGN   4           HG2      DGN   4  32.815   4.638   2.017
   26   HE21  DGN   4          1HE2      DGN   4  30.884   6.443  -0.036
   27   HE22  DGN   4          2HE2      DGN   4  31.371   8.141   0.404
   28    H    DSN   5           H        DSE   5  29.054   7.190   2.176
   29    HA   DSN   5           HA       DSE   5  26.851   5.746   1.229
   30    HB2  DSN   5           HB1      DSE   5  27.399   5.028  -0.942
   31    HB3  DSN   5           HB2      DSE   5  28.525   4.106   0.169
   32    HG   DSN   5           HG       DSE   5  29.493   4.715  -1.566
   33    H    DGL   6           H        DGU   6  25.473   6.741  -0.122
   34    HA   DGL   6           HA       DGU   6  24.316   8.432  -0.722
   35    HB2  DGL   6           HB1      DGU   6  26.653   8.799  -2.598
   36    HB3  DGL   6           HB2      DGU   6  25.149   9.676  -2.855
   37    HG2  DGL   6           HG1      DGU   6  23.801   7.483  -2.791
   38    HG3  DGL   6           HG2      DGU   6  25.394   6.681  -2.674
   39    HA   PRO   7           HA       PRO   7  25.359  12.068   1.364
   40    HB2  PRO   7           HB2      PRO   7  26.426  10.610   3.773
   41    HB3  PRO   7           HB1      PRO   7  25.168  11.870   3.673
   42    HG2  PRO   7           HG2      PRO   7  24.379   9.249   3.880
   43    HG3  PRO   7           HG1      PRO   7  23.688  10.375   2.612
   44    HD2  PRO   7           HD2      PRO   7  26.125   8.453   2.247
   45    HD3  PRO   7           HD1      PRO   7  24.464   8.548   1.408
  Start of MODEL   19
    1    H1   DHI   1           H1       DHI   1  27.937  10.257   0.378
    2    HA   DHI   1           HA       DHI   1  30.047  12.192   1.155
    3    HB2  DHI   1           HB1      DHI   1  30.359   9.769  -0.642
    4    HB3  DHI   1           HB2      DHI   1  31.373  11.140  -0.371
    5    HD1  DHI   1           HD1      DHI   1  29.310  13.376  -0.900
    6    HD2  DHI   1           HD2      DHI   1  29.111   9.691  -2.740
    7    HE1  DHI   1           HE1      DHI   1  27.677  13.642  -2.894
    8    HE2  DHI   1           HE2      DHI   1  27.296  11.286  -3.850
    9    HA   PRO   2           HA       PRO   2  32.886   9.628   3.212
   10    HB2  PRO   2           HB2      PRO   2  32.497  11.737   5.440
   11    HB3  PRO   2           HB1      PRO   2  33.950  10.965   5.003
   12    HG2  PRO   2           HG2      PRO   2  33.265  13.443   3.810
   13    HG3  PRO   2           HG1      PRO   2  33.961  12.089   2.819
   14    HD2  PRO   2           HD2      PRO   2  31.072  12.922   3.389
   15    HD3  PRO   2           HD1      PRO   2  31.889  12.566   1.847
   16    H    DAS   3           H        DAS   3  29.823  10.402   4.957
   17    HA   DAS   3           HA       DAS   3  28.490   9.256   5.994
   18    HB2  DAS   3           HB1      DAS   3  30.089  10.107   7.601
   19    HB3  DAS   3           HB2      DAS   3  30.898   8.557   7.699
   20    H    DGN   4           H        DGN   4  29.575   7.983   3.770
   21    HA   DGN   4           HA       DGN   4  29.289   5.109   4.563
   22    HB2  DGN   4           HB1      DGN   4  31.035   4.358   3.078
   23    HB3  DGN   4           HB2      DGN   4  31.416   5.225   4.628
   24    HG2  DGN   4           HG1      DGN   4  31.621   7.320   3.004
   25    HG3  DGN   4           HG2      DGN   4  31.632   6.112   1.675
   26   HE21  DGN   4          1HE2      DGN   4  33.064   7.052   4.683
   27   HE22  DGN   4          2HE2      DGN   4  34.749   6.513   4.330
   28    H    DSN   5           H        DSE   5  29.254   7.344   1.866
   29    HA   DSN   5           HA       DSE   5  27.208   5.550   0.491
   30    HB2  DSN   5           HB1      DSE   5  29.763   6.353  -0.863
   31    HB3  DSN   5           HB2      DSE   5  28.367   5.642  -1.637
   32    HG   DSN   5           HG       DSE   5  29.768   4.067  -1.171
   33    H    DGL   6           H        DGU   6  25.749   6.636  -0.341
   34    HA   DGL   6           HA       DGU   6  24.292   8.418  -0.742
   35    HB2  DGL   6           HB1      DGU   6  25.493   7.733  -2.882
   36    HB3  DGL   6           HB2      DGU   6  26.490   9.130  -2.589
   37    HG2  DGL   6           HG1      DGU   6  24.194  10.367  -2.456
   38    HG3  DGL   6           HG2      DGU   6  23.517   8.881  -3.224
   39    HA   PRO   7           HA       PRO   7  25.324  12.009   1.902
   40    HB2  PRO   7           HB2      PRO   7  26.876  11.047   3.978
   41    HB3  PRO   7           HB1      PRO   7  25.120  11.057   3.868
   42    HG2  PRO   7           HG2      PRO   7  26.834   8.691   3.152
   43    HG3  PRO   7           HG1      PRO   7  25.513   8.852   4.307
   44    HD2  PRO   7           HD2      PRO   7  24.997   8.051   1.869
   45    HD3  PRO   7           HD1      PRO   7  24.034   9.522   2.390
  Start of MODEL   20
    1    H1   DHI   1           H1       DHI   1  28.046  10.136   0.667
    2    HA   DHI   1           HA       DHI   1  29.945  12.179   1.283
    3    HB2  DHI   1           HB1      DHI   1  30.428   9.802  -0.450
    4    HB3  DHI   1           HB2      DHI   1  31.096  11.422  -0.468
    5    HD1  DHI   1           HD1      DHI   1  29.097  13.584  -1.078
    6    HD2  DHI   1           HD2      DHI   1  28.675   9.644  -2.479
    7    HE1  DHI   1           HE1      DHI   1  27.194  13.569  -2.805
    8    HE2  DHI   1           HE2      DHI   1  27.030  11.181  -3.668
    9    HA   PRO   2           HA       PRO   2  33.017   9.597   3.566
   10    HB2  PRO   2           HB2      PRO   2  32.619  11.882   5.353
   11    HB3  PRO   2           HB1      PRO   2  34.112  11.179   4.827
   12    HG2  PRO   2           HG2      PRO   2  33.464  13.432   3.803
   13    HG3  PRO   2           HG1      PRO   2  34.007  12.177   2.616
   14    HD2  PRO   2           HD2      PRO   2  31.126  12.896   3.502
   15    HD3  PRO   2           HD1      PRO   2  31.783  12.711   1.814
   16    H    DAS   3           H        DAS   3  29.799  10.518   4.865
   17    HA   DAS   3           HA       DAS   3  28.268   9.171   5.764
   18    HB2  DAS   3           HB1      DAS   3  29.643  10.024   7.697
   19    HB3  DAS   3           HB2      DAS   3  30.272   8.319   7.666
   20    H    DGN   4           H        DGN   4  30.158   7.739   3.824
   21    HA   DGN   4           HA       DGN   4  29.542   5.012   4.533
   22    HB2  DGN   4           HB1      DGN   4  31.502   4.244   3.622
   23    HB3  DGN   4           HB2      DGN   4  31.820   5.595   4.611
   24    HG2  DGN   4           HG1      DGN   4  31.698   7.048   2.359
   25    HG3  DGN   4           HG2      DGN   4  32.143   5.495   1.612
   26   HE21  DGN   4          1HE2      DGN   4  33.005   7.479   4.561
   27   HE22  DGN   4          2HE2      DGN   4  34.742   7.480   4.171
   28    H    DSN   5           H        DSE   5  29.014   7.168   1.896
   29    HA   DSN   5           HA       DSE   5  27.024   5.478   0.686
   30    HB2  DSN   5           HB1      DSE   5  27.858   5.208  -1.346
   31    HB3  DSN   5           HB2      DSE   5  29.082   4.497  -0.165
   32    HG   DSN   5           HG       DSE   5  29.448   6.232  -1.944
   33    H    DGL   6           H        DGU   6  25.521   6.699  -0.224
   34    HA   DGL   6           HA       DGU   6  24.254   8.474  -0.745
   35    HB2  DGL   6           HB1      DGU   6  25.467   7.732  -2.685
   36    HB3  DGL   6           HB2      DGU   6  26.538   9.070  -2.501
   37    HG2  DGL   6           HG1      DGU   6  24.048  10.409  -2.459
   38    HG3  DGL   6           HG2      DGU   6  23.474   8.919  -2.914
   39    HA   PRO   7           HA       PRO   7  25.564  12.102   1.138
   40    HB2  PRO   7           HB2      PRO   7  26.227  10.791   3.895
   41    HB3  PRO   7           HB1      PRO   7  25.246  12.193   3.528
   42    HG2  PRO   7           HG2      PRO   7  24.257   9.882   4.197
   43    HG3  PRO   7           HG1      PRO   7  23.387  10.852   2.904
   44    HD2  PRO   7           HD2      PRO   7  25.425   8.593   2.522
   45    HD3  PRO   7           HD1      PRO   7  23.963   8.780   1.693