*HEADER    DE NOVO PROTEIN                         24-OCT-17   6BE9              
*TITLE     SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN7.1                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: T(DLY)NDT(DSG)(DPR);                                       
*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,B.BAKER          
*REVDAT   1   27-DEC-17 6BE9    0                                                
# Restraints file 1: crazy_noe.tbl
!-------------------------------------------------------------------------!
!NOE Table for Crazy peptide !
!Updated 022317 mds
!Crazy, 7mer    THR lys ASN ASP THR asn 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                =  72
!long range          (j-i >6)  = 2
!short range    (2 > j-i < 5)  = 8
!sequential          (i to j)  = 20
!intraresidue        (i to i)  = 42

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




 assign ( resid  1 and name HB   ) ( resid  1 and name HA   ) 3.2 1.2 1.2
 assign ( resid  1 and name HB   ) ( resid  1 and name HN   ) 3.2 1.2 1.2

 assign ( resid  2 and name HA   ) ( resid  2 and name HN   ) 3.2 1.2 1.2
 assign ( resid  3 and name HA   ) ( resid  2 and name HN   ) 3.2 1.2 1.2

 assign ( resid  3 and name HA   ) ( resid  3 and name HN   ) 3.2 1.2 1.2

 assign ( resid  3 and name HB2  ) ( resid  4 and name HN   ) 3.2 1.2 1.2
 assign ( resid  3 and name HB1  ) ( resid  4 and name HN   ) 3.2 1.2 1.2

!assign ( resid  3 and name HD22 ) ( resid  3 and name HD21 ) 3.2 1.2 1.2

 assign ( resid  4 and name HA   ) ( resid  4 and name HN   ) 3.2 1.2 1.2
 assign ( resid  4 and name HB2  ) ( resid  4 and name HN   ) 3.2 1.2 1.2
 assign ( resid  4 and name HB1  ) ( resid  4 and name HN   ) 3.2 1.2 1.2

 assign ( resid  5 and name HA   ) ( resid  5 and name HN   ) 3.2 1.2 1.2
 assign ( resid  5 and name HA   ) ( resid  6 and name HN   ) 3.2 1.2 1.2
 assign ( resid  5 and name HN   ) ( resid  4 and name HN   ) 3.2 1.2 1.2

 assign ( resid  6 and name HA   ) ( resid  7 and name HD2  ) 3.2 1.2 1.2
 assign ( resid  6 and name HA   ) ( resid  7 and name HD1  ) 3.2 1.2 1.2
!assign ( resid  6 and name HD22 ) ( resid  6 and name HD21 ) 3.2 1.2 1.2
 assign ( resid  6 and name HN   ) ( resid  5 and name HN   ) 3.2 1.2 1.2

 assign ( resid  7 and name HA   ) ( resid  7 and name HB2  ) 3.2 1.2 1.2

 assign ( resid  1 and name HA   ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  1 and name HG2# ) ( resid  1 and name HN   ) 4.5 1.6 1.6

 assign ( resid  2 and name HB2  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HB2  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HB1  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HB1  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HD#  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HE#  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HG2  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HG1  ) ( resid  2 and name HN   ) 4.5 1.6 1.6

 assign ( resid  3 and name HB2  ) ( resid  3 and name HD21 ) 4.5 1.6 1.6
 assign ( resid  3 and name HB2  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HB1  ) ( resid  3 and name HD21 ) 4.5 1.6 1.6
 assign ( resid  3 and name HB1  ) ( resid  3 and name HD22 ) 4.5 1.6 1.6
 assign ( resid  3 and name HB1  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HB1  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HD21 ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HN   ) ( resid  4 and name HN   ) 4.5 1.6 1.6

 assign ( resid  4 and name HA   ) ( resid  6 and name HD22 ) 4.5 1.6 1.6
 assign ( resid  4 and name HB1  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HB1  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HB1  ) ( resid  5 and name HN   ) 4.5 1.6 1.6

 assign ( resid  5 and name HB   ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG2# ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG2# ) ( resid  6 and name HN   ) 4.5 1.6 1.6

 assign ( resid  6 and name HA   ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB2  ) ( resid  2 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  6 and name HB2  ) ( resid  2 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  6 and name HB2  ) ( resid  6 and name HD21 ) 4.5 1.6 1.6
 assign ( resid  6 and name HB2  ) ( resid  6 and name HD22 ) 4.5 1.6 1.6
 assign ( resid  6 and name HB2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB1  ) ( resid  2 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  6 and name HB1  ) ( resid  2 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  6 and name HB1  ) ( resid  6 and name HD21 ) 4.5 1.6 1.6
 assign ( resid  6 and name HB1  ) ( resid  6 and name HD22 ) 4.5 1.6 1.6
 assign ( resid  6 and name HB1  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HN   ) ( resid  3 and name HN   ) 4.5 1.6 1.6

 assign ( resid  7 and name HA   ) ( resid  7 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  7 and name HA   ) ( resid  7 and name HG2  ) 4.5 1.6 1.6
 assign ( resid  7 and name HB2  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HB1  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2  ) ( resid  6 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2  ) ( resid  6 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2  ) ( resid  7 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2  ) ( resid  7 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2  ) ( resid  7 and name HG2  ) 3.5 1.2 1.2
 assign ( resid  7 and name HD2  ) ( resid  7 and name HG1  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD1  ) ( resid  6 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD1  ) ( resid  6 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD1  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD1  ) ( resid  7 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD1  ) ( resid  7 and name HB1  ) 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 HD1  ) ( resid  7 and name HG1  ) 3.5 1.2 1.2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   THR   1           H1       THR   1  28.560  47.500   5.140
    2    HA   THR   1           HA       THR   1  31.080  47.090   3.740
    3    HB   THR   1           HB       THR   1  32.110  48.160   5.860
    4    HG1  THR   1           HG1      THR   1  30.170  47.880   7.250
    5   HG21  THR   1          1HG2      THR   1  29.850  49.540   4.440
    6   HG22  THR   1          2HG2      THR   1  31.450  49.190   3.630
    7   HG23  THR   1          3HG2      THR   1  31.320  50.340   4.920
    8    H    DLY   2           H        DLY   2  29.690  44.630   4.200
    9    HA   DLY   2           HA       DLY   2  30.540  43.260   6.560
   10    HB2  DLY   2           HB1      DLY   2  32.290  43.380   4.090
   11    HB3  DLY   2           HB2      DLY   2  31.890  41.790   4.590
   12    HG2  DLY   2           HG1      DLY   2  32.780  42.410   7.020
   13    HG3  DLY   2           HG2      DLY   2  33.210  43.880   6.300
   14    HD2  DLY   2           HD1      DLY   2  34.660  42.730   4.680
   15    HD3  DLY   2           HD2      DLY   2  34.330  41.100   5.510
   16    HE2  DLY   2           HE1      DLY   2  35.320  42.430   7.560
   17    HE3  DLY   2           HE2      DLY   2  35.730  43.620   6.380
   18    HZ1  DLY   2           HZ1      DLY   2  37.090  42.040   5.170
   19    HZ2  DLY   2           HZ2      DLY   2  36.690  40.860   6.130
   20    HZ3  DLY   2           HZ3      DLY   2  37.570  42.060   6.780
   21    H    ASN   3           H        ASN   3  29.380  41.630   6.700
   22    HA   ASN   3           HA       ASN   3  28.160  40.260   4.370
   23    HB2  ASN   3           HB2      ASN   3  29.310  39.120   6.970
   24    HB3  ASN   3           HB1      ASN   3  28.300  38.200   5.940
   25   HD21  ASN   3          1HD2      ASN   3  31.610  39.280   6.470
   26   HD22  ASN   3          2HD2      ASN   3  32.180  38.670   4.860
   27    H    ASP   4           H        ASP   4  27.620  40.630   8.060
   28    HA   ASP   4           HA       ASP   4  24.910  40.460   8.180
   29    HB2  ASP   4           HB2      ASP   4  26.270  40.740  10.020
   30    HB3  ASP   4           HB1      ASP   4  26.480  42.530   9.650
   31    H    THR   5           H        THR   5  23.310  41.300   6.930
   32    HA   THR   5           HA       THR   5  22.230  42.650   5.530
   33    HB   THR   5           HB       THR   5  22.910  44.660   7.680
   34    HG1  THR   5           HG1      THR   5  22.220  42.670   8.490
   35   HG21  THR   5          1HG2      THR   5  20.400  44.130   5.970
   36   HG22  THR   5          2HG2      THR   5  21.280  45.700   5.810
   37   HG23  THR   5          3HG2      THR   5  20.440  45.310   7.200
   38    H    DSG   6           H        DAN   6  24.440  42.150   4.410
   39    HA   DSG   6           HA       DAN   6  24.680  43.830   2.250
   40    HB2  DSG   6           HB1      DAN   6  26.770  42.030   3.360
   41    HB3  DSG   6           HB2      DAN   6  26.880  42.740   1.860
   42   HD21  DSG   6          1HD2      DAN   6  27.010  40.190   1.750
   43   HD22  DSG   6          2HD2      DAN   6  25.550  39.220   1.690
   44    HA   DPR   7           HA       DPR   7  26.710  47.260   4.200
   45    HB2  DPR   7           HB1      DPR   7  27.230  49.010   2.070
   46    HB3  DPR   7           HB2      DPR   7  25.650  48.510   2.660
   47    HG2  DPR   7           HG1      DPR   7  27.220  47.250   0.520
   48    HG3  DPR   7           HG2      DPR   7  25.560  47.950   0.340
   49    HD2  DPR   7           HD1      DPR   7  25.970  45.230   0.760
   50    HD3  DPR   7           HD2      DPR   7  24.690  46.130   1.660
  Start of MODEL    2
    1    H1   THR   1           H1       THR   1  28.392  47.401   5.273
    2    HA   THR   1           HA       THR   1  31.030  46.938   3.974
    3    HB   THR   1           HB       THR   1  31.896  48.043   6.239
    4    HG1  THR   1           HG1      THR   1  30.418  48.514   7.460
    5   HG21  THR   1          1HG2      THR   1  31.888  49.220   4.064
    6   HG22  THR   1          2HG2      THR   1  31.356  50.229   5.506
    7   HG23  THR   1          3HG2      THR   1  30.168  49.524   4.283
    8    H    DLY   2           H        DLY   2  29.880  44.628   4.144
    9    HA   DLY   2           HA       DLY   2  30.782  43.102   6.371
   10    HB2  DLY   2           HB1      DLY   2  31.992  42.815   3.612
   11    HB3  DLY   2           HB2      DLY   2  32.249  41.681   4.948
   12    HG2  DLY   2           HG1      DLY   2  33.278  43.483   6.240
   13    HG3  DLY   2           HG2      DLY   2  33.323  44.543   4.899
   14    HD2  DLY   2           HD1      DLY   2  34.732  43.014   3.554
   15    HD3  DLY   2           HD2      DLY   2  34.703  41.789   4.833
   16    HE2  DLY   2           HE1      DLY   2  35.579  43.295   6.471
   17    HE3  DLY   2           HE2      DLY   2  36.000  44.447   5.123
   18    HZ1  DLY   2           HZ1      DLY   2  37.234  42.743   3.995
   19    HZ2  DLY   2           HZ2      DLY   2  37.084  41.657   5.151
   20    HZ3  DLY   2           HZ3      DLY   2  37.814  42.878   5.578
   21    H    ASN   3           H        ASN   3  29.847  41.324   6.445
   22    HA   ASN   3           HA       ASN   3  28.048  40.284   4.330
   23    HB2  ASN   3           HB2      ASN   3  28.991  38.948   6.803
   24    HB3  ASN   3           HB1      ASN   3  27.972  38.171   5.618
   25   HD21  ASN   3          1HD2      ASN   3  31.308  38.689   6.291
   26   HD22  ASN   3          2HD2      ASN   3  31.864  38.475   4.636
   27    H    ASP   4           H        ASP   4  27.819  41.297   7.692
   28    HA   ASP   4           HA       ASP   4  25.025  40.741   8.322
   29    HB2  ASP   4           HB2      ASP   4  26.613  41.134  10.070
   30    HB3  ASP   4           HB1      ASP   4  26.869  42.807   9.583
   31    H    THR   5           H        THR   5  23.754  41.173   6.801
   32    HA   THR   5           HA       THR   5  22.259  42.197   5.430
   33    HB   THR   5           HB       THR   5  22.292  44.541   7.350
   34    HG1  THR   5           HG1      THR   5  21.636  43.274   8.695
   35   HG21  THR   5          1HG2      THR   5  20.447  43.581   5.218
   36   HG22  THR   5          2HG2      THR   5  20.712  45.183   5.866
   37   HG23  THR   5          3HG2      THR   5  19.656  44.113   6.791
   38    H    DSG   6           H        DAN   6  24.928  42.241   4.721
   39    HA   DSG   6           HA       DAN   6  24.598  43.969   2.419
   40    HB2  DSG   6           HB1      DAN   6  26.948  42.091   3.257
   41    HB3  DSG   6           HB2      DAN   6  26.883  43.031   1.829
   42   HD21  DSG   6          1HD2      DAN   6  25.513  40.184   3.507
   43   HD22  DSG   6          2HD2      DAN   6  24.518  39.780   2.108
   44    HA   DPR   7           HA       DPR   7  26.857  47.657   3.935
   45    HB2  DPR   7           HB1      DPR   7  27.932  47.505   1.148
   46    HB3  DPR   7           HB2      DPR   7  27.403  48.858   2.096
   47    HG2  DPR   7           HG1      DPR   7  25.740  47.716   0.177
   48    HG3  DPR   7           HG2      DPR   7  24.919  48.218   1.763
   49    HD2  DPR   7           HD1      DPR   7  25.903  45.611   0.829
   50    HD3  DPR   7           HD2      DPR   7  24.444  46.002   1.826
  Start of MODEL    3
    1    H1   THR   1           H1       THR   1  28.454  47.385   5.099
    2    HA   THR   1           HA       THR   1  31.220  47.060   4.084
    3    HB   THR   1           HB       THR   1  31.668  48.085   6.308
    4    HG1  THR   1           HG1      THR   1  29.858  47.961   7.523
    5   HG21  THR   1          1HG2      THR   1  30.817  50.264   5.623
    6   HG22  THR   1          2HG2      THR   1  29.958  49.584   4.224
    7   HG23  THR   1          3HG2      THR   1  31.771  49.560   4.365
    8    H    DLY   2           H        DLY   2  30.256  44.662   3.924
    9    HA   DLY   2           HA       DLY   2  30.853  43.234   6.417
   10    HB2  DLY   2           HB1      DLY   2  32.328  42.619   3.902
   11    HB3  DLY   2           HB2      DLY   2  31.737  41.351   4.961
   12    HG2  DLY   2           HG1      DLY   2  32.939  42.169   6.919
   13    HG3  DLY   2           HG2      DLY   2  33.589  43.478   5.870
   14    HD2  DLY   2           HD1      DLY   2  34.446  41.724   4.386
   15    HD3  DLY   2           HD2      DLY   2  33.784  40.453   5.423
   16    HE2  DLY   2           HE1      DLY   2  35.293  41.318   7.328
   17    HE3  DLY   2           HE2      DLY   2  36.104  42.295   6.157
   18    HZ1  DLY   2           HZ1      DLY   2  36.727  40.284   4.878
   19    HZ2  DLY   2           HZ2      DLY   2  35.770  39.442   5.657
   20    HZ3  DLY   2           HZ3      DLY   2  37.108  40.087   6.482
   21    H    ASN   3           H        ASN   3  29.720  41.473   6.725
   22    HA   ASN   3           HA       ASN   3  28.162  40.363   4.420
   23    HB2  ASN   3           HB2      ASN   3  29.069  38.929   6.991
   24    HB3  ASN   3           HB1      ASN   3  28.344  38.131   5.599
   25   HD21  ASN   3          1HD2      ASN   3  29.693  38.593   3.380
   26   HD22  ASN   3          2HD2      ASN   3  31.398  38.321   3.692
   27    H    ASP   4           H        ASP   4  27.818  41.713   7.624
   28    HA   ASP   4           HA       ASP   4  25.173  40.630   8.251
   29    HB2  ASP   4           HB2      ASP   4  26.766  41.360   9.886
   30    HB3  ASP   4           HB1      ASP   4  26.886  42.928   9.151
   31    H    THR   5           H        THR   5  23.509  41.182   6.578
   32    HA   THR   5           HA       THR   5  21.936  42.436   5.822
   33    HB   THR   5           HB       THR   5  23.088  44.919   7.190
   34    HG1  THR   5           HG1      THR   5  22.845  43.131   8.451
   35   HG21  THR   5          1HG2      THR   5  20.195  44.260   6.273
   36   HG22  THR   5          2HG2      THR   5  21.261  45.533   5.654
   37   HG23  THR   5          3HG2      THR   5  20.693  45.610   7.245
   38    H    DSG   6           H        DAN   6  24.813  42.289   4.838
   39    HA   DSG   6           HA       DAN   6  24.502  43.955   2.476
   40    HB2  DSG   6           HB1      DAN   6  26.765  42.043   3.387
   41    HB3  DSG   6           HB2      DAN   6  26.658  42.821   1.828
   42   HD21  DSG   6          1HD2      DAN   6  25.134  40.198   3.907
   43   HD22  DSG   6          2HD2      DAN   6  24.096  39.681   2.611
   44    HA   DPR   7           HA       DPR   7  26.630  47.439   4.009
   45    HB2  DPR   7           HB1      DPR   7  27.935  48.587   1.851
   46    HB3  DPR   7           HB2      DPR   7  26.192  48.808   2.221
   47    HG2  DPR   7           HG1      DPR   7  27.510  46.679   0.485
   48    HG3  DPR   7           HG2      DPR   7  26.192  47.724   0.096
   49    HD2  DPR   7           HD1      DPR   7  25.760  45.196   0.759
   50    HD3  DPR   7           HD2      DPR   7  24.702  46.509   1.441
  Start of MODEL    4
    1    H1   THR   1           H1       THR   1  28.734  47.836   5.065
    2    HA   THR   1           HA       THR   1  31.240  47.030   3.853
    3    HB   THR   1           HB       THR   1  32.209  48.010   5.942
    4    HG1  THR   1           HG1      THR   1  30.269  49.300   6.865
    5   HG21  THR   1          1HG2      THR   1  31.883  49.596   4.194
    6   HG22  THR   1          2HG2      THR   1  31.540  50.233   5.677
    7   HG23  THR   1          3HG2      THR   1  30.068  49.781   4.713
    8    H    DLY   2           H        DLY   2  29.962  44.719   4.142
    9    HA   DLY   2           HA       DLY   2  30.928  43.359   6.410
   10    HB2  DLY   2           HB1      DLY   2  31.978  42.777   3.596
   11    HB3  DLY   2           HB2      DLY   2  32.187  41.670   4.965
   12    HG2  DLY   2           HG1      DLY   2  33.727  43.344   6.024
   13    HG3  DLY   2           HG2      DLY   2  33.402  44.502   4.716
   14    HD2  DLY   2           HD1      DLY   2  34.869  41.874   4.626
   15    HD3  DLY   2           HD2      DLY   2  35.465  43.450   4.833
   16    HE2  DLY   2           HE1      DLY   2  34.692  44.136   2.546
   17    HE3  DLY   2           HE2      DLY   2  33.722  42.612   2.541
   18    HZ1  DLY   2           HZ1      DLY   2  35.645  41.332   2.219
   19    HZ2  DLY   2           HZ2      DLY   2  36.650  42.571   2.531
   20    HZ3  DLY   2           HZ3      DLY   2  35.630  42.597   1.194
   21    H    ASN   3           H        ASN   3  29.677  41.360   6.731
   22    HA   ASN   3           HA       ASN   3  28.365  40.147   4.399
   23    HB2  ASN   3           HB2      ASN   3  28.561  38.914   7.081
   24    HB3  ASN   3           HB1      ASN   3  28.300  38.214   5.500
   25   HD21  ASN   3          1HD2      ASN   3  30.351  38.293   3.963
   26   HD22  ASN   3          2HD2      ASN   3  31.863  38.130   4.899
   27    H    ASP   4           H        ASP   4  27.584  41.769   7.309
   28    HA   ASP   4           HA       ASP   4  25.045  40.603   7.917
   29    HB2  ASP   4           HB2      ASP   4  26.544  40.967   9.781
   30    HB3  ASP   4           HB1      ASP   4  26.586  42.735   9.397
   31    H    THR   5           H        THR   5  23.438  41.264   6.790
   32    HA   THR   5           HA       THR   5  21.921  42.396   5.787
   33    HB   THR   5           HB       THR   5  22.739  44.889   7.142
   34    HG1  THR   5           HG1      THR   5  22.451  43.006   8.544
   35   HG21  THR   5          1HG2      THR   5  20.141  44.041   6.025
   36   HG22  THR   5          2HG2      THR   5  21.147  45.444   5.676
   37   HG23  THR   5          3HG2      THR   5  20.300  45.428   7.222
   38    H    DSG   6           H        DAN   6  24.911  42.473   5.054
   39    HA   DSG   6           HA       DAN   6  24.560  43.905   2.421
   40    HB2  DSG   6           HB1      DAN   6  26.700  42.037   3.295
   41    HB3  DSG   6           HB2      DAN   6  26.646  42.847   1.752
   42   HD21  DSG   6          1HD2      DAN   6  25.337  40.093   3.545
   43   HD22  DSG   6          2HD2      DAN   6  24.075  39.710   2.441
   44    HA   DPR   7           HA       DPR   7  26.758  47.247   4.285
   45    HB2  DPR   7           HB1      DPR   7  27.571  48.663   2.160
   46    HB3  DPR   7           HB2      DPR   7  25.880  48.543   2.715
   47    HG2  DPR   7           HG1      DPR   7  27.485  47.121   0.588
   48    HG3  DPR   7           HG2      DPR   7  25.871  47.775   0.409
   49    HD2  DPR   7           HD1      DPR   7  26.122  45.094   0.871
   50    HD3  DPR   7           HD2      DPR   7  24.803  46.082   1.501
  Start of MODEL    5
    1    H1   THR   1           H1       THR   1  28.532  47.280   5.277
    2    HA   THR   1           HA       THR   1  31.129  47.143   3.917
    3    HB   THR   1           HB       THR   1  31.910  48.229   5.922
    4    HG1  THR   1           HG1      THR   1  29.146  48.187   6.673
    5   HG21  THR   1          1HG2      THR   1  30.912  49.448   4.002
    6   HG22  THR   1          2HG2      THR   1  31.034  50.344   5.509
    7   HG23  THR   1          3HG2      THR   1  29.490  49.810   4.935
    8    H    DLY   2           H        DLY   2  30.013  44.728   4.067
    9    HA   DLY   2           HA       DLY   2  30.958  43.215   6.385
   10    HB2  DLY   2           HB1      DLY   2  32.665  43.433   4.226
   11    HB3  DLY   2           HB2      DLY   2  31.958  41.922   3.887
   12    HG2  DLY   2           HG1      DLY   2  32.480  40.932   6.019
   13    HG3  DLY   2           HG2      DLY   2  33.202  42.441   6.621
   14    HD2  DLY   2           HD1      DLY   2  34.065  40.834   4.183
   15    HD3  DLY   2           HD2      DLY   2  34.509  40.484   5.848
   16    HE2  DLY   2           HE1      DLY   2  35.702  42.609   6.005
   17    HE3  DLY   2           HE2      DLY   2  35.116  43.158   4.392
   18    HZ1  DLY   2           HZ1      DLY   2  36.213  41.536   3.363
   19    HZ2  DLY   2           HZ2      DLY   2  36.767  40.786   4.687
   20    HZ3  DLY   2           HZ3      DLY   2  37.330  42.327   4.167
   21    H    ASN   3           H        ASN   3  29.814  41.317   6.627
   22    HA   ASN   3           HA       ASN   3  28.033  40.596   4.383
   23    HB2  ASN   3           HB2      ASN   3  28.681  38.678   6.742
   24    HB3  ASN   3           HB1      ASN   3  27.953  38.441   5.151
   25   HD21  ASN   3          1HD2      ASN   3  29.138  38.374   3.305
   26   HD22  ASN   3          2HD2      ASN   3  30.917  38.331   3.402
   27    H    ASP   4           H        ASP   4  27.697  40.822   7.822
   28    HA   ASP   4           HA       ASP   4  25.003  40.549   8.168
   29    HB2  ASP   4           HB2      ASP   4  26.882  41.565   9.781
   30    HB3  ASP   4           HB1      ASP   4  26.113  43.039   9.410
   31    H    THR   5           H        THR   5  23.348  41.172   6.984
   32    HA   THR   5           HA       THR   5  22.060  42.305   5.633
   33    HB   THR   5           HB       THR   5  22.556  44.852   7.018
   34    HG1  THR   5           HG1      THR   5  22.349  42.605   8.224
   35   HG21  THR   5          1HG2      THR   5  19.955  44.867   7.024
   36   HG22  THR   5          2HG2      THR   5  20.141  43.488   5.924
   37   HG23  THR   5          3HG2      THR   5  20.880  45.074   5.554
   38    H    DSG   6           H        DAN   6  24.956  42.306   4.803
   39    HA   DSG   6           HA       DAN   6  24.689  44.012   2.487
   40    HB2  DSG   6           HB1      DAN   6  26.731  42.096   3.585
   41    HB3  DSG   6           HB2      DAN   6  27.022  42.770   2.048
   42   HD21  DSG   6          1HD2      DAN   6  25.724  40.046   3.566
   43   HD22  DSG   6          2HD2      DAN   6  24.825  39.411   2.262
   44    HA   DPR   7           HA       DPR   7  26.742  47.538   4.027
   45    HB2  DPR   7           HB1      DPR   7  27.790  48.621   1.860
   46    HB3  DPR   7           HB2      DPR   7  26.055  48.586   2.153
   47    HG2  DPR   7           HG1      DPR   7  27.650  46.663   0.309
   48    HG3  DPR   7           HG2      DPR   7  26.037  47.358   0.027
   49    HD2  DPR   7           HD1      DPR   7  26.415  44.948   1.085
   50    HD3  DPR   7           HD2      DPR   7  24.931  45.918   1.214
  Start of MODEL    6
    1    H1   THR   1           H1       THR   1  28.410  46.328   5.936
    2    HA   THR   1           HA       THR   1  30.825  47.245   4.563
    3    HB   THR   1           HB       THR   1  32.024  47.017   6.621
    4    HG1  THR   1           HG1      THR   1  30.539  46.945   8.570
    5   HG21  THR   1          1HG2      THR   1  29.495  48.739   6.996
    6   HG22  THR   1          2HG2      THR   1  30.796  49.156   5.883
    7   HG23  THR   1          3HG2      THR   1  31.247  49.043   7.559
    8    H    DLY   2           H        DLY   2  29.328  44.433   4.564
    9    HA   DLY   2           HA       DLY   2  31.787  42.884   4.389
   10    HB2  DLY   2           HB1      DLY   2  29.831  43.308   2.067
   11    HB3  DLY   2           HB2      DLY   2  31.062  42.190   1.983
   12    HG2  DLY   2           HG1      DLY   2  31.595  45.158   2.321
   13    HG3  DLY   2           HG2      DLY   2  31.540  44.252   0.842
   14    HD2  DLY   2           HD1      DLY   2  33.480  43.794   3.140
   15    HD3  DLY   2           HD2      DLY   2  33.889  44.712   1.737
   16    HE2  DLY   2           HE1      DLY   2  33.965  42.887   0.342
   17    HE3  DLY   2           HE2      DLY   2  33.072  41.778   1.478
   18    HZ1  DLY   2           HZ1      DLY   2  35.353  41.200   1.312
   19    HZ2  DLY   2           HZ2      DLY   2  34.893  41.730   2.780
   20    HZ3  DLY   2           HZ3      DLY   2  35.843  42.656   1.913
   21    H    ASN   3           H        ASN   3  29.393  42.812   6.066
   22    HA   ASN   3           HA       ASN   3  28.481  40.009   5.418
   23    HB2  ASN   3           HB2      ASN   3  29.515  41.050   8.098
   24    HB3  ASN   3           HB1      ASN   3  28.522  39.663   7.954
   25   HD21  ASN   3          1HD2      ASN   3  31.621  40.873   8.027
   26   HD22  ASN   3          2HD2      ASN   3  32.528  39.461   7.562
   27    H    ASP   4           H        ASP   4  27.677  42.372   7.972
   28    HA   ASP   4           HA       ASP   4  25.104  41.181   8.080
   29    HB2  ASP   4           HB2      ASP   4  26.300  41.849   9.914
   30    HB3  ASP   4           HB1      ASP   4  26.103  43.601   9.428
   31    H    THR   5           H        THR   5  23.476  41.430   6.793
   32    HA   THR   5           HA       THR   5  22.162  42.089   5.332
   33    HB   THR   5           HB       THR   5  22.190  44.995   5.854
   34    HG1  THR   5           HG1      THR   5  21.114  43.099   7.587
   35   HG21  THR   5          1HG2      THR   5  19.792  44.727   5.818
   36   HG22  THR   5          2HG2      THR   5  20.001  42.930   5.379
   37   HG23  THR   5          3HG2      THR   5  20.489  44.176   4.287
   38    H    DSG   6           H        DAN   6  25.120  42.529   4.891
   39    HA   DSG   6           HA       DAN   6  24.971  43.766   2.131
   40    HB2  DSG   6           HB1      DAN   6  26.734  41.806   3.519
   41    HB3  DSG   6           HB2      DAN   6  27.221  42.389   2.024
   42   HD21  DSG   6          1HD2      DAN   6  27.249  39.920   1.725
   43   HD22  DSG   6          2HD2      DAN   6  25.811  39.001   1.489
   44    HA   DPR   7           HA       DPR   7  26.497  46.682   5.057
   45    HB2  DPR   7           HB1      DPR   7  26.783  48.564   2.714
   46    HB3  DPR   7           HB2      DPR   7  26.051  48.885   4.231
   47    HG2  DPR   7           HG1      DPR   7  24.601  48.297   2.218
   48    HG3  DPR   7           HG2      DPR   7  24.133  47.444   3.744
   49    HD2  DPR   7           HD1      DPR   7  25.709  46.363   1.295
   50    HD3  DPR   7           HD2      DPR   7  24.461  45.530   2.199
  Start of MODEL    7
    1    H1   THR   1           H1       THR   1  28.501  46.741   5.923
    2    HA   THR   1           HA       THR   1  31.012  47.228   4.581
    3    HB   THR   1           HB       THR   1  31.955  47.210   6.843
    4    HG1  THR   1           HG1      THR   1  30.685  47.034   8.490
    5   HG21  THR   1          1HG2      THR   1  29.633  49.142   6.151
    6   HG22  THR   1          2HG2      THR   1  31.339  49.252   5.652
    7   HG23  THR   1          3HG2      THR   1  30.949  49.494   7.321
    8    H    DLY   2           H        DLY   2  29.342  44.567   4.625
    9    HA   DLY   2           HA       DLY   2  31.740  42.881   4.326
   10    HB2  DLY   2           HB1      DLY   2  29.768  44.016   2.348
   11    HB3  DLY   2           HB2      DLY   2  30.713  42.610   1.881
   12    HG2  DLY   2           HG1      DLY   2  31.741  45.377   2.518
   13    HG3  DLY   2           HG2      DLY   2  31.734  44.435   0.947
   14    HD2  DLY   2           HD1      DLY   2  33.544  44.159   3.349
   15    HD3  DLY   2           HD2      DLY   2  33.925  44.635   1.698
   16    HE2  DLY   2           HE1      DLY   2  33.455  42.333   0.858
   17    HE3  DLY   2           HE2      DLY   2  32.776  41.847   2.311
   18    HZ1  DLY   2           HZ1      DLY   2  35.624  42.732   1.962
   19    HZ2  DLY   2           HZ2      DLY   2  35.160  41.185   2.139
   20    HZ3  DLY   2           HZ3      DLY   2  34.938  42.220   3.347
   21    H    ASN   3           H        ASN   3  29.093  42.898   5.876
   22    HA   ASN   3           HA       ASN   3  28.458  39.972   5.321
   23    HB2  ASN   3           HB2      ASN   3  29.610  41.029   7.808
   24    HB3  ASN   3           HB1      ASN   3  29.003  39.349   7.500
   25   HD21  ASN   3          1HD2      ASN   3  30.432  38.616   5.212
   26   HD22  ASN   3          2HD2      ASN   3  32.137  38.884   5.577
   27    H    ASP   4           H        ASP   4  27.714  42.115   8.020
   28    HA   ASP   4           HA       ASP   4  25.073  41.120   8.122
   29    HB2  ASP   4           HB2      ASP   4  26.235  42.219  10.079
   30    HB3  ASP   4           HB1      ASP   4  25.696  43.767   9.350
   31    H    THR   5           H        THR   5  23.520  41.559   6.992
   32    HA   THR   5           HA       THR   5  22.007  42.271   5.592
   33    HB   THR   5           HB       THR   5  22.718  44.995   6.626
   34    HG1  THR   5           HG1      THR   5  22.038  43.217   7.985
   35   HG21  THR   5          1HG2      THR   5  20.192  45.439   6.303
   36   HG22  THR   5          2HG2      THR   5  20.116  44.109   5.176
   37   HG23  THR   5          3HG2      THR   5  21.116  45.533   4.853
   38    H    DSG   6           H        DAN   6  25.119  42.517   4.835
   39    HA   DSG   6           HA       DAN   6  25.029  43.719   2.093
   40    HB2  DSG   6           HB1      DAN   6  26.792  41.580   3.409
   41    HB3  DSG   6           HB2      DAN   6  27.003  42.332   1.829
   42   HD21  DSG   6          1HD2      DAN   6  25.106  40.182   3.903
   43   HD22  DSG   6          2HD2      DAN   6  24.247  39.397   2.500
   44    HA   DPR   7           HA       DPR   7  26.752  46.296   5.054
   45    HB2  DPR   7           HB1      DPR   7  26.903  48.739   3.799
   46    HB3  DPR   7           HB2      DPR   7  25.318  48.179   4.331
   47    HG2  DPR   7           HG1      DPR   7  26.612  47.929   1.579
   48    HG3  DPR   7           HG2      DPR   7  24.974  48.428   2.088
   49    HD2  DPR   7           HD1      DPR   7  25.595  45.807   1.226
   50    HD3  DPR   7           HD2      DPR   7  24.413  46.133   2.497
  Start of MODEL    8
    1    H1   THR   1           H1       THR   1  29.073  46.170   5.614
    2    HA   THR   1           HA       THR   1  30.814  47.068   3.435
    3    HB   THR   1           HB       THR   1  32.564  47.604   5.154
    4    HG1  THR   1           HG1      THR   1  30.576  47.691   7.077
    5   HG21  THR   1          1HG2      THR   1  31.433  49.636   6.073
    6   HG22  THR   1          2HG2      THR   1  30.006  49.062   5.029
    7   HG23  THR   1          3HG2      THR   1  31.671  49.463   4.351
    8    H    DLY   2           H        DLY   2  29.611  44.346   4.665
    9    HA   DLY   2           HA       DLY   2  32.135  42.932   4.657
   10    HB2  DLY   2           HB1      DLY   2  31.719  41.725   2.574
   11    HB3  DLY   2           HB2      DLY   2  32.275  43.403   2.499
   12    HG2  DLY   2           HG1      DLY   2  30.019  44.035   1.919
   13    HG3  DLY   2           HG2      DLY   2  29.345  42.407   2.272
   14    HD2  DLY   2           HD1      DLY   2  30.532  41.403   0.441
   15    HD3  DLY   2           HD2      DLY   2  31.373  42.933   0.019
   16    HE2  DLY   2           HE1      DLY   2  29.095  43.869  -0.476
   17    HE3  DLY   2           HE2      DLY   2  28.379  42.302   0.047
   18    HZ1  DLY   2           HZ1      DLY   2  30.329  42.384  -2.040
   19    HZ2  DLY   2           HZ2      DLY   2  28.867  42.847  -2.489
   20    HZ3  DLY   2           HZ3      DLY   2  29.114  41.309  -1.938
   21    H    ASN   3           H        ASN   3  28.955  42.991   5.555
   22    HA   ASN   3           HA       ASN   3  28.851  40.107   6.077
   23    HB2  ASN   3           HB2      ASN   3  29.425  42.295   8.135
   24    HB3  ASN   3           HB1      ASN   3  28.790  40.686   8.562
   25   HD21  ASN   3          1HD2      ASN   3  31.619  42.204   8.802
   26   HD22  ASN   3          2HD2      ASN   3  32.714  40.875   8.521
   27    H    ASP   4           H        ASP   4  27.274  42.045   8.385
   28    HA   ASP   4           HA       ASP   4  24.880  40.741   7.718
   29    HB2  ASP   4           HB2      ASP   4  25.695  41.447   9.954
   30    HB3  ASP   4           HB1      ASP   4  25.227  43.078   9.655
   31    H    THR   5           H        THR   5  23.173  41.105   6.578
   32    HA   THR   5           HA       THR   5  21.807  41.986   5.062
   33    HB   THR   5           HB       THR   5  20.822  44.212   5.434
   34    HG1  THR   5           HG1      THR   5  23.295  44.554   6.582
   35   HG21  THR   5          1HG2      THR   5  19.951  43.984   7.547
   36   HG22  THR   5          2HG2      THR   5  21.424  43.205   8.148
   37   HG23  THR   5          3HG2      THR   5  20.376  42.369   7.101
   38    H    DSG   6           H        DAN   6  24.887  43.331   4.990
   39    HA   DSG   6           HA       DAN   6  24.666  44.198   2.213
   40    HB2  DSG   6           HB1      DAN   6  26.313  41.833   3.119
   41    HB3  DSG   6           HB2      DAN   6  26.423  42.712   1.504
   42   HD21  DSG   6          1HD2      DAN   6  24.561  40.201   3.194
   43   HD22  DSG   6          2HD2      DAN   6  23.356  40.122   1.929
   44    HA   DPR   7           HA       DPR   7  27.109  46.115   5.475
   45    HB2  DPR   7           HB1      DPR   7  26.746  48.868   5.047
   46    HB3  DPR   7           HB2      DPR   7  25.532  47.688   5.811
   47    HG2  DPR   7           HG1      DPR   7  25.544  48.474   2.992
   48    HG3  DPR   7           HG2      DPR   7  24.252  48.689   4.091
   49    HD2  DPR   7           HD1      DPR   7  24.445  46.439   2.483
   50    HD3  DPR   7           HD2      DPR   7  24.111  46.168   4.258
  Start of MODEL    9
    1    H1   THR   1           H1       THR   1  29.237  46.604   5.845
    2    HA   THR   1           HA       THR   1  30.982  47.334   3.734
    3    HB   THR   1           HB       THR   1  32.895  46.888   5.252
    4    HG1  THR   1           HG1      THR   1  30.787  46.404   7.124
    5   HG21  THR   1          1HG2      THR   1  31.617  49.017   5.194
    6   HG22  THR   1          2HG2      THR   1  32.635  48.702   6.685
    7   HG23  THR   1          3HG2      THR   1  30.900  48.584   6.672
    8    H    DLY   2           H        DLY   2  29.774  44.416   4.825
    9    HA   DLY   2           HA       DLY   2  31.875  42.703   3.694
   10    HB2  DLY   2           HB1      DLY   2  29.007  42.483   2.677
   11    HB3  DLY   2           HB2      DLY   2  30.444  41.475   2.433
   12    HG2  DLY   2           HG1      DLY   2  31.450  43.113   0.933
   13    HG3  DLY   2           HG2      DLY   2  30.091  44.251   1.275
   14    HD2  DLY   2           HD1      DLY   2  28.639  42.260   0.423
   15    HD3  DLY   2           HD2      DLY   2  30.254  41.615  -0.122
   16    HE2  DLY   2           HE1      DLY   2  30.529  43.767  -1.385
   17    HE3  DLY   2           HE2      DLY   2  28.807  44.038  -1.133
   18    HZ1  DLY   2           HZ1      DLY   2  28.306  41.914  -2.154
   19    HZ2  DLY   2           HZ2      DLY   2  29.851  41.595  -2.546
   20    HZ3  DLY   2           HZ3      DLY   2  28.964  42.953  -3.091
   21    H    ASN   3           H        ASN   3  28.688  42.949   5.092
   22    HA   ASN   3           HA       ASN   3  29.075  40.808   6.982
   23    HB2  ASN   3           HB2      ASN   3  29.391  43.716   7.267
   24    HB3  ASN   3           HB1      ASN   3  28.547  43.049   8.609
   25   HD21  ASN   3          1HD2      ASN   3  29.854  40.739   9.247
   26   HD22  ASN   3          2HD2      ASN   3  31.554  40.948   9.503
   27    H    ASP   4           H        ASP   4  27.067  41.685   8.791
   28    HA   ASP   4           HA       ASP   4  24.818  40.387   7.839
   29    HB2  ASP   4           HB2      ASP   4  25.392  41.145  10.282
   30    HB3  ASP   4           HB1      ASP   4  24.914  42.695   9.708
   31    H    THR   5           H        THR   5  23.245  40.679   6.328
   32    HA   THR   5           HA       THR   5  22.092  41.589   4.737
   33    HB   THR   5           HB       THR   5  21.900  43.889   6.713
   34    HG1  THR   5           HG1      THR   5  21.574  41.810   7.496
   35   HG21  THR   5          1HG2      THR   5  19.562  43.977   5.691
   36   HG22  THR   5          2HG2      THR   5  20.123  42.839   4.411
   37   HG23  THR   5          3HG2      THR   5  20.784  44.475   4.565
   38    H    DSG   6           H        DAN   6  25.106  43.053   5.152
   39    HA   DSG   6           HA       DAN   6  24.732  44.230   2.459
   40    HB2  DSG   6           HB1      DAN   6  26.512  41.951   3.175
   41    HB3  DSG   6           HB2      DAN   6  26.703  42.960   1.721
   42   HD21  DSG   6          1HD2      DAN   6  24.243  40.749   3.469
   43   HD22  DSG   6          2HD2      DAN   6  23.554  40.354   1.906
   44    HA   DPR   7           HA       DPR   7  27.104  46.918   5.466
   45    HB2  DPR   7           HB1      DPR   7  26.977  48.859   3.191
   46    HB3  DPR   7           HB2      DPR   7  26.736  49.028   4.917
   47    HG2  DPR   7           HG1      DPR   7  24.751  48.926   2.994
   48    HG3  DPR   7           HG2      DPR   7  24.457  48.111   4.557
   49    HD2  DPR   7           HD1      DPR   7  25.632  46.826   2.010
   50    HD3  DPR   7           HD2      DPR   7  24.278  46.189   3.088
  Start of MODEL   10
    1    H1   THR   1           H1       THR   1  28.251  46.640   5.905
    2    HA   THR   1           HA       THR   1  30.824  47.462   4.726
    3    HB   THR   1           HB       THR   1  31.801  47.450   6.828
    4    HG1  THR   1           HG1      THR   1  30.531  46.491   8.532
    5   HG21  THR   1          1HG2      THR   1  30.155  49.376   6.630
    6   HG22  THR   1          2HG2      THR   1  30.303  48.725   8.226
    7   HG23  THR   1          3HG2      THR   1  28.903  48.265   7.174
    8    H    DLY   2           H        DLY   2  29.343  44.353   4.791
    9    HA   DLY   2           HA       DLY   2  31.865  42.979   4.606
   10    HB2  DLY   2           HB1      DLY   2  31.700  44.183   2.535
   11    HB3  DLY   2           HB2      DLY   2  30.076  43.502   2.262
   12    HG2  DLY   2           HG1      DLY   2  31.883  42.794   0.796
   13    HG3  DLY   2           HG2      DLY   2  31.061  41.395   1.526
   14    HD2  DLY   2           HD1      DLY   2  32.972  41.344   3.176
   15    HD3  DLY   2           HD2      DLY   2  33.944  42.413   2.147
   16    HE2  DLY   2           HE1      DLY   2  32.570  40.097   0.873
   17    HE3  DLY   2           HE2      DLY   2  33.895  39.755   1.967
   18    HZ1  DLY   2           HZ1      DLY   2  35.411  41.250   0.886
   19    HZ2  DLY   2           HZ2      DLY   2  34.341  41.635  -0.250
   20    HZ3  DLY   2           HZ3      DLY   2  34.872  40.167  -0.197
   21    H    ASN   3           H        ASN   3  29.458  42.603   6.207
   22    HA   ASN   3           HA       ASN   3  28.442  39.926   5.176
   23    HB2  ASN   3           HB2      ASN   3  29.092  40.671   7.993
   24    HB3  ASN   3           HB1      ASN   3  28.341  39.226   7.470
   25   HD21  ASN   3          1HD2      ASN   3  29.548  37.473   6.565
   26   HD22  ASN   3          2HD2      ASN   3  31.232  37.432   6.683
   27    H    ASP   4           H        ASP   4  27.631  42.390   7.738
   28    HA   ASP   4           HA       ASP   4  25.141  41.026   8.022
   29    HB2  ASP   4           HB2      ASP   4  26.305  41.710   9.952
   30    HB3  ASP   4           HB1      ASP   4  26.156  43.406   9.434
   31    H    THR   5           H        THR   5  23.249  41.652   7.048
   32    HA   THR   5           HA       THR   5  21.916  42.469   5.616
   33    HB   THR   5           HB       THR   5  21.334  44.689   5.138
   34    HG1  THR   5           HG1      THR   5  23.796  45.131   6.416
   35   HG21  THR   5          1HG2      THR   5  20.976  45.461   7.518
   36   HG22  THR   5          2HG2      THR   5  21.729  43.879   8.034
   37   HG23  THR   5          3HG2      THR   5  20.293  43.968   6.987
   38    H    DSG   6           H        DAN   6  25.120  42.660   5.115
   39    HA   DSG   6           HA       DAN   6  24.977  43.655   2.296
   40    HB2  DSG   6           HB1      DAN   6  27.051  41.573   3.291
   41    HB3  DSG   6           HB2      DAN   6  26.922  42.272   1.789
   42   HD21  DSG   6          1HD2      DAN   6  25.361  39.904   3.925
   43   HD22  DSG   6          2HD2      DAN   6  24.534  39.124   2.601
   44    HA   DPR   7           HA       DPR   7  26.514  46.711   4.843
   45    HB2  DPR   7           HB1      DPR   7  27.133  48.777   2.999
   46    HB3  DPR   7           HB2      DPR   7  25.479  48.384   3.568
   47    HG2  DPR   7           HG1      DPR   7  26.895  47.484   1.092
   48    HG3  DPR   7           HG2      DPR   7  25.171  48.035   1.318
   49    HD2  DPR   7           HD1      DPR   7  25.815  45.342   1.139
   50    HD3  DPR   7           HD2      DPR   7  24.552  45.872   2.221
  Start of MODEL   11
    1    H1   THR   1           H1       THR   1  28.605  46.606   5.858
    2    HA   THR   1           HA       THR   1  30.999  47.132   4.475
    3    HB   THR   1           HB       THR   1  32.140  46.254   6.519
    4    HG1  THR   1           HG1      THR   1  30.936  45.396   8.008
    5   HG21  THR   1          1HG2      THR   1  30.220  48.656   6.458
    6   HG22  THR   1          2HG2      THR   1  31.898  48.693   6.194
    7   HG23  THR   1          3HG2      THR   1  31.185  48.390   7.849
    8    H    DLY   2           H        DLY   2  28.988  44.494   4.413
    9    HA   DLY   2           HA       DLY   2  31.265  42.685   4.161
   10    HB2  DLY   2           HB1      DLY   2  28.969  43.060   2.196
   11    HB3  DLY   2           HB2      DLY   2  30.272  41.745   2.108
   12    HG2  DLY   2           HG1      DLY   2  31.033  44.622   1.933
   13    HG3  DLY   2           HG2      DLY   2  30.627  43.527   0.513
   14    HD2  DLY   2           HD1      DLY   2  32.451  42.059   1.516
   15    HD3  DLY   2           HD2      DLY   2  32.765  43.321   2.661
   16    HE2  DLY   2           HE1      DLY   2  33.664  44.724   0.742
   17    HE3  DLY   2           HE2      DLY   2  32.951  43.566  -0.417
   18    HZ1  DLY   2           HZ1      DLY   2  35.201  43.085  -0.418
   19    HZ2  DLY   2           HZ2      DLY   2  34.510  41.972   0.640
   20    HZ3  DLY   2           HZ3      DLY   2  35.287  43.228   1.219
   21    H    ASN   3           H        ASN   3  29.609  42.886   6.396
   22    HA   ASN   3           HA       ASN   3  29.531  40.015   6.287
   23    HB2  ASN   3           HB2      ASN   3  31.174  41.248   7.630
   24    HB3  ASN   3           HB1      ASN   3  29.775  41.584   8.721
   25   HD21  ASN   3          1HD2      ASN   3  30.085  40.206  10.615
   26   HD22  ASN   3          2HD2      ASN   3  30.387  38.594  10.444
   27    H    ASP   4           H        ASP   4  27.359  42.497   7.515
   28    HA   ASP   4           HA       ASP   4  25.136  40.618   7.840
   29    HB2  ASP   4           HB2      ASP   4  26.306  41.342   9.829
   30    HB3  ASP   4           HB1      ASP   4  26.248  43.029   9.390
   31    H    THR   5           H        THR   5  23.680  41.238   6.578
   32    HA   THR   5           HA       THR   5  22.259  42.217   5.073
   33    HB   THR   5           HB       THR   5  22.332  44.648   6.742
   34    HG1  THR   5           HG1      THR   5  22.225  42.701   8.044
   35   HG21  THR   5          1HG2      THR   5  19.847  43.192   5.654
   36   HG22  THR   5          2HG2      THR   5  20.767  44.395   4.727
   37   HG23  THR   5          3HG2      THR   5  19.934  44.817   6.245
   38    H    DSG   6           H        DAN   6  24.837  42.375   4.136
   39    HA   DSG   6           HA       DAN   6  24.684  44.474   2.071
   40    HB2  DSG   6           HB1      DAN   6  26.549  42.118   2.597
   41    HB3  DSG   6           HB2      DAN   6  26.513  43.266   1.203
   42   HD21  DSG   6          1HD2      DAN   6  24.989  40.463   2.587
   43   HD22  DSG   6          2HD2      DAN   6  23.981  40.127   1.191
   44    HA   DPR   7           HA       DPR   7  26.611  47.036   4.923
   45    HB2  DPR   7           HB1      DPR   7  27.280  49.230   3.329
   46    HB3  DPR   7           HB2      DPR   7  25.656  48.862   3.852
   47    HG2  DPR   7           HG1      DPR   7  27.164  47.960   1.344
   48    HG3  DPR   7           HG2      DPR   7  25.597  48.858   1.400
   49    HD2  DPR   7           HD1      DPR   7  25.783  46.070   1.107
   50    HD3  DPR   7           HD2      DPR   7  24.526  46.646   2.153
  Start of MODEL   12
    1    H1   THR   1           H1       THR   1  28.895  46.928   5.755
    2    HA   THR   1           HA       THR   1  31.093  47.102   3.975
    3    HB   THR   1           HB       THR   1  31.291  46.000   6.764
    4    HG1  THR   1           HG1      THR   1  31.001  48.609   5.686
    5   HG21  THR   1          1HG2      THR   1  33.330  47.481   6.448
    6   HG22  THR   1          2HG2      THR   1  33.142  47.225   4.746
    7   HG23  THR   1          3HG2      THR   1  33.318  45.742   5.772
    8    H    DLY   2           H        DLY   2  29.646  44.206   5.307
    9    HA   DLY   2           HA       DLY   2  31.432  42.692   3.637
   10    HB2  DLY   2           HB1      DLY   2  28.405  42.893   3.560
   11    HB3  DLY   2           HB2      DLY   2  29.131  41.520   2.738
   12    HG2  DLY   2           HG1      DLY   2  29.495  44.400   1.920
   13    HG3  DLY   2           HG2      DLY   2  28.468  43.234   1.120
   14    HD2  DLY   2           HD1      DLY   2  30.318  41.782   0.650
   15    HD3  DLY   2           HD2      DLY   2  31.469  43.103   1.120
   16    HE2  DLY   2           HE1      DLY   2  30.115  44.543  -0.599
   17    HE3  DLY   2           HE2      DLY   2  29.683  42.957  -1.208
   18    HZ1  DLY   2           HZ1      DLY   2  31.710  43.611  -2.358
   19    HZ2  DLY   2           HZ2      DLY   2  31.935  42.441  -1.172
   20    HZ3  DLY   2           HZ3      DLY   2  32.316  43.988  -0.825
   21    H    ASN   3           H        ASN   3  29.452  42.808   6.360
   22    HA   ASN   3           HA       ASN   3  29.756  39.899   6.897
   23    HB2  ASN   3           HB2      ASN   3  29.747  42.246   8.879
   24    HB3  ASN   3           HB1      ASN   3  29.929  40.479   9.185
   25   HD21  ASN   3          1HD2      ASN   3  31.869  39.303   7.775
   26   HD22  ASN   3          2HD2      ASN   3  33.142  40.408   7.424
   27    H    ASP   4           H        ASP   4  27.322  42.551   7.044
   28    HA   ASP   4           HA       ASP   4  25.206  40.563   7.587
   29    HB2  ASP   4           HB2      ASP   4  25.795  41.329   9.828
   30    HB3  ASP   4           HB1      ASP   4  25.449  42.977   9.412
   31    H    THR   5           H        THR   5  23.645  41.016   6.357
   32    HA   THR   5           HA       THR   5  22.016  41.918   4.890
   33    HB   THR   5           HB       THR   5  22.128  43.972   6.979
   34    HG1  THR   5           HG1      THR   5  22.104  41.801   7.841
   35   HG21  THR   5          1HG2      THR   5  19.556  42.752   5.781
   36   HG22  THR   5          2HG2      THR   5  20.216  44.333   5.282
   37   HG23  THR   5          3HG2      THR   5  19.801  44.129   6.919
   38    H    DSG   6           H        DAN   6  24.883  42.574   4.122
   39    HA   DSG   6           HA       DAN   6  24.114  44.874   2.494
   40    HB2  DSG   6           HB1      DAN   6  26.385  42.998   1.991
   41    HB3  DSG   6           HB2      DAN   6  25.609  44.285   0.837
   42   HD21  DSG   6          1HD2      DAN   6  25.009  41.148   2.485
   43   HD22  DSG   6          2HD2      DAN   6  23.617  40.797   1.456
   44    HA   DPR   7           HA       DPR   7  26.764  47.116   5.150
   45    HB2  DPR   7           HB1      DPR   7  27.497  48.937   2.829
   46    HB3  DPR   7           HB2      DPR   7  26.884  49.348   4.454
   47    HG2  DPR   7           HG1      DPR   7  25.358  49.395   2.217
   48    HG3  DPR   7           HG2      DPR   7  24.672  48.938   3.756
   49    HD2  DPR   7           HD1      DPR   7  25.837  47.195   1.483
   50    HD3  DPR   7           HD2      DPR   7  24.302  46.951   2.341
  Start of MODEL   13
    1    H1   THR   1           H1       THR   1  28.348  46.697   5.970
    2    HA   THR   1           HA       THR   1  30.966  47.463   5.177
    3    HB   THR   1           HB       THR   1  31.606  46.711   7.448
    4    HG1  THR   1           HG1      THR   1  28.969  45.930   7.698
    5   HG21  THR   1          1HG2      THR   1  30.803  48.975   7.388
    6   HG22  THR   1          2HG2      THR   1  30.331  48.150   8.746
    7   HG23  THR   1          3HG2      THR   1  29.138  48.482   7.364
    8    H    DLY   2           H        DLY   2  29.280  44.423   4.920
    9    HA   DLY   2           HA       DLY   2  31.744  42.938   4.180
   10    HB2  DLY   2           HB1      DLY   2  29.671  43.930   2.250
   11    HB3  DLY   2           HB2      DLY   2  30.729  42.526   2.023
   12    HG2  DLY   2           HG1      DLY   2  31.804  45.283   2.358
   13    HG3  DLY   2           HG2      DLY   2  31.668  44.424   0.846
   14    HD2  DLY   2           HD1      DLY   2  33.348  42.751   1.598
   15    HD3  DLY   2           HD2      DLY   2  33.515  43.692   3.126
   16    HE2  DLY   2           HE1      DLY   2  33.936  45.674   1.892
   17    HE3  DLY   2           HE2      DLY   2  33.826  44.888   0.387
   18    HZ1  DLY   2           HZ1      DLY   2  35.876  43.605   0.947
   19    HZ2  DLY   2           HZ2      DLY   2  35.738  43.970   2.521
   20    HZ3  DLY   2           HZ3      DLY   2  36.112  45.156   1.505
   21    H    ASN   3           H        ASN   3  29.332  42.680   5.948
   22    HA   ASN   3           HA       ASN   3  28.227  40.026   5.065
   23    HB2  ASN   3           HB2      ASN   3  29.089  40.317   7.929
   24    HB3  ASN   3           HB1      ASN   3  28.377  38.965   6.905
   25   HD21  ASN   3          1HD2      ASN   3  29.879  38.441   4.923
   26   HD22  ASN   3          2HD2      ASN   3  31.557  38.290   5.258
   27    H    ASP   4           H        ASP   4  27.826  42.068   7.918
   28    HA   ASP   4           HA       ASP   4  25.185  41.335   8.161
   29    HB2  ASP   4           HB2      ASP   4  26.481  42.370  10.003
   30    HB3  ASP   4           HB1      ASP   4  26.295  43.950   9.138
   31    H    THR   5           H        THR   5  23.530  41.647   7.192
   32    HA   THR   5           HA       THR   5  22.362  42.041   5.413
   33    HB   THR   5           HB       THR   5  22.098  45.011   6.173
   34    HG1  THR   5           HG1      THR   5  21.375  42.775   7.562
   35   HG21  THR   5          1HG2      THR   5  19.619  44.276   6.244
   36   HG22  THR   5          2HG2      THR   5  20.091  42.950   5.198
   37   HG23  THR   5          3HG2      THR   5  20.357  44.668   4.685
   38    H    DSG   6           H        DAN   6  24.934  42.060   4.686
   39    HA   DSG   6           HA       DAN   6  24.879  43.557   2.283
   40    HB2  DSG   6           HB1      DAN   6  27.100  41.812   3.441
   41    HB3  DSG   6           HB2      DAN   6  26.972  42.554   1.784
   42   HD21  DSG   6          1HD2      DAN   6  25.881  40.071   3.854
   43   HD22  DSG   6          2HD2      DAN   6  25.056  39.021   2.687
   44    HA   DPR   7           HA       DPR   7  26.551  46.849   4.748
   45    HB2  DPR   7           HB1      DPR   7  27.192  48.332   2.365
   46    HB3  DPR   7           HB2      DPR   7  26.133  48.814   3.606
   47    HG2  DPR   7           HG1      DPR   7  25.207  47.913   1.173
   48    HG3  DPR   7           HG2      DPR   7  24.402  47.257   2.656
   49    HD2  DPR   7           HD1      DPR   7  26.360  45.697   1.030
   50    HD3  DPR   7           HD2      DPR   7  24.832  45.403   1.919
  Start of MODEL   14
    1    H1   THR   1           H1       THR   1  28.954  47.002   6.026
    2    HA   THR   1           HA       THR   1  31.227  47.112   4.224
    3    HB   THR   1           HB       THR   1  32.508  46.293   6.350
    4    HG1  THR   1           HG1      THR   1  30.598  47.426   7.885
    5   HG21  THR   1          1HG2      THR   1  31.051  48.887   6.360
    6   HG22  THR   1          2HG2      THR   1  32.618  48.677   5.553
    7   HG23  THR   1          3HG2      THR   1  32.520  48.460   7.308
    8    H    DLY   2           H        DLY   2  29.204  44.462   4.634
    9    HA   DLY   2           HA       DLY   2  31.350  42.703   3.778
   10    HB2  DLY   2           HB1      DLY   2  28.826  43.427   2.212
   11    HB3  DLY   2           HB2      DLY   2  29.825  41.957   1.949
   12    HG2  DLY   2           HG1      DLY   2  31.670  43.588   1.533
   13    HG3  DLY   2           HG2      DLY   2  30.465  44.925   1.651
   14    HD2  DLY   2           HD1      DLY   2  29.247  43.822  -0.202
   15    HD3  DLY   2           HD2      DLY   2  30.564  42.606  -0.305
   16    HE2  DLY   2           HE1      DLY   2  30.621  45.598  -0.887
   17    HE3  DLY   2           HE2      DLY   2  30.632  44.379  -2.092
   18    HZ1  DLY   2           HZ1      DLY   2  32.758  45.052  -0.173
   19    HZ2  DLY   2           HZ2      DLY   2  32.902  45.005  -1.768
   20    HZ3  DLY   2           HZ3      DLY   2  32.703  43.569  -1.024
   21    H    ASN   3           H        ASN   3  29.559  42.864   6.170
   22    HA   ASN   3           HA       ASN   3  29.306  39.941   6.345
   23    HB2  ASN   3           HB2      ASN   3  29.509  42.189   8.536
   24    HB3  ASN   3           HB1      ASN   3  29.682  40.435   8.803
   25   HD21  ASN   3          1HD2      ASN   3  31.641  42.932   8.892
   26   HD22  ASN   3          2HD2      ASN   3  32.994  42.264   7.947
   27    H    ASP   4           H        ASP   4  27.412  42.856   7.453
   28    HA   ASP   4           HA       ASP   4  25.170  40.945   7.951
   29    HB2  ASP   4           HB2      ASP   4  26.044  42.022   9.985
   30    HB3  ASP   4           HB1      ASP   4  25.694  43.570   9.264
   31    H    THR   5           H        THR   5  23.558  41.196   6.587
   32    HA   THR   5           HA       THR   5  22.284  41.834   5.025
   33    HB   THR   5           HB       THR   5  20.981  42.705   6.798
   34    HG1  THR   5           HG1      THR   5  20.805  44.630   4.923
   35   HG21  THR   5          1HG2      THR   5  22.631  44.306   7.834
   36   HG22  THR   5          2HG2      THR   5  20.997  44.923   7.541
   37   HG23  THR   5          3HG2      THR   5  22.378  45.431   6.495
   38    H    DSG   6           H        DAN   6  24.923  42.341   4.187
   39    HA   DSG   6           HA       DAN   6  24.561  44.488   2.234
   40    HB2  DSG   6           HB1      DAN   6  26.520  42.230   2.283
   41    HB3  DSG   6           HB2      DAN   6  26.317  43.455   0.974
   42   HD21  DSG   6          1HD2      DAN   6  24.466  40.718   2.662
   43   HD22  DSG   6          2HD2      DAN   6  23.485  40.502   1.289
   44    HA   DPR   7           HA       DPR   7  26.757  46.576   5.376
   45    HB2  DPR   7           HB1      DPR   7  27.222  48.885   4.268
   46    HB3  DPR   7           HB2      DPR   7  25.662  48.421   5.005
   47    HG2  DPR   7           HG1      DPR   7  26.217  48.820   2.149
   48    HG3  DPR   7           HG2      DPR   7  24.660  48.822   3.042
   49    HD2  DPR   7           HD1      DPR   7  25.331  46.638   1.524
   50    HD3  DPR   7           HD2      DPR   7  24.324  46.648   3.047
  Start of MODEL   15
    1    H1   THR   1           H1       THR   1  28.063  46.655   5.837
    2    HA   THR   1           HA       THR   1  30.657  47.380   5.207
    3    HB   THR   1           HB       THR   1  30.961  46.791   7.607
    4    HG1  THR   1           HG1      THR   1  28.340  46.176   7.854
    5   HG21  THR   1          1HG2      THR   1  29.190  48.334   8.560
    6   HG22  THR   1          2HG2      THR   1  28.435  48.431   6.969
    7   HG23  THR   1          3HG2      THR   1  30.051  49.019   7.113
    8    H    DLY   2           H        DLY   2  29.231  44.473   4.779
    9    HA   DLY   2           HA       DLY   2  31.709  42.845   4.769
   10    HB2  DLY   2           HB1      DLY   2  30.135  43.385   2.267
   11    HB3  DLY   2           HB2      DLY   2  31.659  42.472   2.396
   12    HG2  DLY   2           HG1      DLY   2  32.961  44.295   3.108
   13    HG3  DLY   2           HG2      DLY   2  31.534  45.397   2.710
   14    HD2  DLY   2           HD1      DLY   2  31.701  44.822   0.375
   15    HD3  DLY   2           HD2      DLY   2  32.842  43.564   0.635
   16    HE2  DLY   2           HE1      DLY   2  34.546  45.173   1.280
   17    HE3  DLY   2           HE2      DLY   2  33.277  46.479   1.011
   18    HZ1  DLY   2           HZ1      DLY   2  34.371  46.372  -1.003
   19    HZ2  DLY   2           HZ2      DLY   2  33.285  45.280  -1.354
   20    HZ3  DLY   2           HZ3      DLY   2  34.660  44.706  -0.971
   21    H    ASN   3           H        ASN   3  29.167  42.448   6.058
   22    HA   ASN   3           HA       ASN   3  28.044  40.029   4.745
   23    HB2  ASN   3           HB2      ASN   3  29.235  40.229   7.394
   24    HB3  ASN   3           HB1      ASN   3  28.206  38.875   7.000
   25   HD21  ASN   3          1HD2      ASN   3  29.620  38.374   4.300
   26   HD22  ASN   3          2HD2      ASN   3  31.296  38.181   4.602
   27    H    ASP   4           H        ASP   4  27.890  41.963   7.727
   28    HA   ASP   4           HA       ASP   4  25.337  41.545   8.671
   29    HB2  ASP   4           HB2      ASP   4  26.954  42.486  10.060
   30    HB3  ASP   4           HB1      ASP   4  27.165  43.833   8.944
   31    H    THR   5           H        THR   5  23.776  41.530   7.045
   32    HA   THR   5           HA       THR   5  22.455  42.098   5.390
   33    HB   THR   5           HB       THR   5  22.209  45.016   6.185
   34    HG1  THR   5           HG1      THR   5  22.225  44.255   8.111
   35   HG21  THR   5          1HG2      THR   5  19.766  44.083   6.338
   36   HG22  THR   5          2HG2      THR   5  20.367  42.752   5.259
   37   HG23  THR   5          3HG2      THR   5  20.616  44.279   4.635
   38    H    DSG   6           H        DAN   6  25.097  42.235   4.828
   39    HA   DSG   6           HA       DAN   6  24.828  43.582   2.253
   40    HB2  DSG   6           HB1      DAN   6  26.985  41.693   3.220
   41    HB3  DSG   6           HB2      DAN   6  26.683  42.206   1.570
   42   HD21  DSG   6          1HD2      DAN   6  25.055  40.249   4.120
   43   HD22  DSG   6          2HD2      DAN   6  24.123  39.326   2.938
   44    HA   DPR   7           HA       DPR   7  26.556  46.996   4.524
   45    HB2  DPR   7           HB1      DPR   7  27.202  48.225   1.897
   46    HB3  DPR   7           HB2      DPR   7  26.507  49.010   3.343
   47    HG2  DPR   7           HG1      DPR   7  24.955  48.265   1.352
   48    HG3  DPR   7           HG2      DPR   7  24.476  47.806   3.079
   49    HD2  DPR   7           HD1      DPR   7  25.800  46.153   0.970
   50    HD3  DPR   7           HD2      DPR   7  24.374  45.803   1.922
  Start of MODEL   16
    1    H1   THR   1           H1       THR   1  28.443  46.963   5.488
    2    HA   THR   1           HA       THR   1  30.954  47.348   4.135
    3    HB   THR   1           HB       THR   1  31.650  47.755   6.454
    4    HG1  THR   1           HG1      THR   1  29.783  47.086   7.591
    5   HG21  THR   1          1HG2      THR   1  31.341  49.409   4.696
    6   HG22  THR   1          2HG2      THR   1  30.674  50.201   6.105
    7   HG23  THR   1          3HG2      THR   1  29.652  49.347   4.839
    8    H    DLY   2           H        DLY   2  30.058  44.760   4.019
    9    HA   DLY   2           HA       DLY   2  31.232  43.137   6.153
   10    HB2  DLY   2           HB1      DLY   2  33.056  43.391   4.411
   11    HB3  DLY   2           HB2      DLY   2  32.070  42.422   3.327
   12    HG2  DLY   2           HG1      DLY   2  32.192  40.550   4.715
   13    HG3  DLY   2           HG2      DLY   2  32.875  41.553   6.103
   14    HD2  DLY   2           HD1      DLY   2  34.887  42.011   4.661
   15    HD3  DLY   2           HD2      DLY   2  34.279  41.037   3.385
   16    HE2  DLY   2           HE1      DLY   2  35.789  39.593   4.701
   17    HE3  DLY   2           HE2      DLY   2  34.152  39.033   5.099
   18    HZ1  DLY   2           HZ1      DLY   2  35.671  40.939   6.700
   19    HZ2  DLY   2           HZ2      DLY   2  35.635  39.307   6.940
   20    HZ3  DLY   2           HZ3      DLY   2  34.314  40.186   7.155
   21    H    ASN   3           H        ASN   3  29.787  41.590   6.708
   22    HA   ASN   3           HA       ASN   3  28.086  40.362   4.489
   23    HB2  ASN   3           HB2      ASN   3  29.029  39.051   7.018
   24    HB3  ASN   3           HB1      ASN   3  28.042  38.400   5.736
   25   HD21  ASN   3          1HD2      ASN   3  29.506  39.046   3.327
   26   HD22  ASN   3          2HD2      ASN   3  31.166  38.595   3.568
   27    H    ASP   4           H        ASP   4  27.822  41.690   7.768
   28    HA   ASP   4           HA       ASP   4  25.098  40.831   8.261
   29    HB2  ASP   4           HB2      ASP   4  26.486  41.566  10.041
   30    HB3  ASP   4           HB1      ASP   4  26.628  43.124   9.345
   31    H    THR   5           H        THR   5  23.336  41.453   6.953
   32    HA   THR   5           HA       THR   5  22.027  42.494   5.617
   33    HB   THR   5           HB       THR   5  22.608  45.032   7.183
   34    HG1  THR   5           HG1      THR   5  22.346  43.434   8.558
   35   HG21  THR   5          1HG2      THR   5  20.060  43.761   6.103
   36   HG22  THR   5          2HG2      THR   5  20.833  45.031   5.206
   37   HG23  THR   5          3HG2      THR   5  20.205  45.291   6.916
   38    H    DSG   6           H        DAN   6  24.692  42.247   4.618
   39    HA   DSG   6           HA       DAN   6  24.706  43.756   2.122
   40    HB2  DSG   6           HB1      DAN   6  26.701  41.890   3.384
   41    HB3  DSG   6           HB2      DAN   6  26.753  42.571   1.769
   42   HD21  DSG   6          1HD2      DAN   6  25.372  39.756   3.618
   43   HD22  DSG   6          2HD2      DAN   6  24.450  39.209   2.288
   44    HA   DPR   7           HA       DPR   7  26.675  47.185   4.523
   45    HB2  DPR   7           HB1      DPR   7  27.289  47.970   1.776
   46    HB3  DPR   7           HB2      DPR   7  26.724  49.034   3.193
   47    HG2  DPR   7           HG1      DPR   7  25.046  48.373   1.191
   48    HG3  DPR   7           HG2      DPR   7  24.411  48.101   2.734
   49    HD2  DPR   7           HD1      DPR   7  25.536  46.069   0.959
   50    HD3  DPR   7           HD2      DPR   7  24.200  45.986   2.144
  Start of MODEL   17
    1    H1   THR   1           H1       THR   1  29.000  46.241   5.861
    2    HA   THR   1           HA       THR   1  30.921  47.059   3.794
    3    HB   THR   1           HB       THR   1  32.521  46.271   5.631
    4    HG1  THR   1           HG1      THR   1  31.430  45.538   7.216
    5   HG21  THR   1          1HG2      THR   1  32.620  48.547   6.376
    6   HG22  THR   1          2HG2      THR   1  30.850  48.759   5.946
    7   HG23  THR   1          3HG2      THR   1  32.162  48.579   4.730
    8    H    DLY   2           H        DLY   2  29.189  44.258   4.773
    9    HA   DLY   2           HA       DLY   2  31.386  42.478   3.981
   10    HB2  DLY   2           HB1      DLY   2  28.735  42.414   2.398
   11    HB3  DLY   2           HB2      DLY   2  30.305  41.609   2.152
   12    HG2  DLY   2           HG1      DLY   2  31.316  43.586   1.417
   13    HG3  DLY   2           HG2      DLY   2  29.897  44.580   1.881
   14    HD2  DLY   2           HD1      DLY   2  28.535  43.481   0.120
   15    HD3  DLY   2           HD2      DLY   2  29.874  42.331  -0.156
   16    HE2  DLY   2           HE1      DLY   2  29.824  43.705  -1.892
   17    HE3  DLY   2           HE2      DLY   2  31.331  44.083  -0.848
   18    HZ1  DLY   2           HZ1      DLY   2  30.116  45.882   0.030
   19    HZ2  DLY   2           HZ2      DLY   2  28.836  45.679  -1.014
   20    HZ3  DLY   2           HZ3      DLY   2  30.161  46.099  -1.686
   21    H    ASN   3           H        ASN   3  30.131  42.739   6.497
   22    HA   ASN   3           HA       ASN   3  29.408  39.900   6.719
   23    HB2  ASN   3           HB2      ASN   3  31.046  41.152   8.201
   24    HB3  ASN   3           HB1      ASN   3  29.683  42.113   8.897
   25   HD21  ASN   3          1HD2      ASN   3  30.469  38.542   8.470
   26   HD22  ASN   3          2HD2      ASN   3  29.774  38.151   9.981
   27    H    ASP   4           H        ASP   4  27.412  42.809   7.033
   28    HA   ASP   4           HA       ASP   4  25.108  41.012   7.783
   29    HB2  ASP   4           HB2      ASP   4  25.896  41.909   9.868
   30    HB3  ASP   4           HB1      ASP   4  25.986  43.506   9.167
   31    H    THR   5           H        THR   5  23.630  41.162   6.382
   32    HA   THR   5           HA       THR   5  22.350  41.711   4.847
   33    HB   THR   5           HB       THR   5  21.787  44.107   6.656
   34    HG1  THR   5           HG1      THR   5  21.888  42.197   7.738
   35   HG21  THR   5          1HG2      THR   5  20.366  44.152   4.615
   36   HG22  THR   5          2HG2      THR   5  19.453  43.675   6.091
   37   HG23  THR   5          3HG2      THR   5  19.965  42.492   4.885
   38    H    DSG   6           H        DAN   6  25.157  42.860   4.431
   39    HA   DSG   6           HA       DAN   6  24.551  44.752   2.169
   40    HB2  DSG   6           HB1      DAN   6  26.712  42.555   2.345
   41    HB3  DSG   6           HB2      DAN   6  26.443  43.841   1.184
   42   HD21  DSG   6          1HD2      DAN   6  25.211  40.702   2.341
   43   HD22  DSG   6          2HD2      DAN   6  23.990  40.438   1.148
   44    HA   DPR   7           HA       DPR   7  26.777  46.615   5.665
   45    HB2  DPR   7           HB1      DPR   7  26.530  48.987   3.740
   46    HB3  DPR   7           HB2      DPR   7  26.499  49.028   5.522
   47    HG2  DPR   7           HG1      DPR   7  24.221  49.085   4.078
   48    HG3  DPR   7           HG2      DPR   7  24.483  48.066   5.505
   49    HD2  DPR   7           HD1      DPR   7  24.584  47.159   2.581
   50    HD3  DPR   7           HD2      DPR   7  23.805  46.291   3.920
  Start of MODEL   18
    1    H1   THR   1           H1       THR   1  29.166  46.989   6.034
    2    HA   THR   1           HA       THR   1  31.190  47.223   3.954
    3    HB   THR   1           HB       THR   1  32.692  46.899   5.949
    4    HG1  THR   1           HG1      THR   1  31.822  47.287   7.817
    5   HG21  THR   1          1HG2      THR   1  32.271  49.160   6.680
    6   HG22  THR   1          2HG2      THR   1  30.587  49.110   5.818
    7   HG23  THR   1          3HG2      THR   1  32.027  49.187   4.972
    8    H    DLY   2           H        DLY   2  29.507  44.662   4.545
    9    HA   DLY   2           HA       DLY   2  31.718  42.743   3.945
   10    HB2  DLY   2           HB1      DLY   2  29.271  42.887   2.238
   11    HB3  DLY   2           HB2      DLY   2  30.743  42.034   1.921
   12    HG2  DLY   2           HG1      DLY   2  32.004  44.136   1.634
   13    HG3  DLY   2           HG2      DLY   2  30.611  45.082   1.691
   14    HD2  DLY   2           HD1      DLY   2  29.509  43.954  -0.044
   15    HD3  DLY   2           HD2      DLY   2  31.012  42.869  -0.262
   16    HE2  DLY   2           HE1      DLY   2  32.258  44.757  -0.999
   17    HE3  DLY   2           HE2      DLY   2  30.998  45.862  -0.708
   18    HZ1  DLY   2           HZ1      DLY   2  29.663  44.604  -2.495
   19    HZ2  DLY   2           HZ2      DLY   2  30.882  43.638  -2.642
   20    HZ3  DLY   2           HZ3      DLY   2  30.989  45.273  -3.058
   21    H    ASN   3           H        ASN   3  29.216  43.040   5.954
   22    HA   ASN   3           HA       ASN   3  28.754  40.112   5.842
   23    HB2  ASN   3           HB2      ASN   3  30.459  40.663   7.389
   24    HB3  ASN   3           HB1      ASN   3  29.497  41.751   8.371
   25   HD21  ASN   3          1HD2      ASN   3  29.324  38.263   7.076
   26   HD22  ASN   3          2HD2      ASN   3  28.872  37.644   8.669
   27    H    ASP   4           H        ASP   4  27.234  43.245   6.772
   28    HA   ASP   4           HA       ASP   4  25.161  41.830   8.189
   29    HB2  ASP   4           HB2      ASP   4  26.620  43.478   9.336
   30    HB3  ASP   4           HB1      ASP   4  26.194  44.744   8.225
   31    H    THR   5           H        THR   5  23.752  41.223   6.701
   32    HA   THR   5           HA       THR   5  22.368  41.221   4.987
   33    HB   THR   5           HB       THR   5  21.039  43.780   5.879
   34    HG1  THR   5           HG1      THR   5  21.463  42.170   7.462
   35   HG21  THR   5          1HG2      THR   5  19.155  42.585   5.247
   36   HG22  THR   5          2HG2      THR   5  20.135  41.156   4.584
   37   HG23  THR   5          3HG2      THR   5  20.177  42.672   3.757
   38    H    DSG   6           H        DAN   6  24.774  41.984   4.266
   39    HA   DSG   6           HA       DAN   6  24.586  44.252   2.521
   40    HB2  DSG   6           HB1      DAN   6  26.543  41.954   2.634
   41    HB3  DSG   6           HB2      DAN   6  26.385  43.157   1.259
   42   HD21  DSG   6          1HD2      DAN   6  24.667  40.309   2.825
   43   HD22  DSG   6          2HD2      DAN   6  23.931  40.050   1.236
   44    HA   DPR   7           HA       DPR   7  27.180  45.948   5.824
   45    HB2  DPR   7           HB1      DPR   7  26.694  48.562   4.379
   46    HB3  DPR   7           HB2      DPR   7  26.719  48.204   6.143
   47    HG2  DPR   7           HG1      DPR   7  24.372  48.294   4.740
   48    HG3  DPR   7           HG2      DPR   7  24.583  47.024   6.027
   49    HD2  DPR   7           HD1      DPR   7  24.754  46.824   3.024
   50    HD3  DPR   7           HD2      DPR   7  23.999  45.765   4.201
  Start of MODEL   19
    1    H1   THR   1           H1       THR   1  29.266  46.590   5.699
    2    HA   THR   1           HA       THR   1  31.203  47.293   3.577
    3    HB   THR   1           HB       THR   1  32.782  47.038   5.353
    4    HG1  THR   1           HG1      THR   1  31.258  47.648   7.408
    5   HG21  THR   1          1HG2      THR   1  30.637  49.121   5.826
    6   HG22  THR   1          2HG2      THR   1  32.069  49.272   4.797
    7   HG23  THR   1          3HG2      THR   1  32.255  49.164   6.554
    8    H    DLY   2           H        DLY   2  29.559  44.558   4.398
    9    HA   DLY   2           HA       DLY   2  31.754  42.625   3.920
   10    HB2  DLY   2           HB1      DLY   2  29.134  43.121   2.414
   11    HB3  DLY   2           HB2      DLY   2  30.002  41.620   2.303
   12    HG2  DLY   2           HG1      DLY   2  31.950  43.548   1.640
   13    HG3  DLY   2           HG2      DLY   2  30.433  44.430   1.247
   14    HD2  DLY   2           HD1      DLY   2  29.592  42.533  -0.011
   15    HD3  DLY   2           HD2      DLY   2  31.086  41.640   0.249
   16    HE2  DLY   2           HE1      DLY   2  30.926  42.777  -1.963
   17    HE3  DLY   2           HE2      DLY   2  32.361  43.221  -1.024
   18    HZ1  DLY   2           HZ1      DLY   2  29.953  44.945  -1.258
   19    HZ2  DLY   2           HZ2      DLY   2  31.147  44.970  -2.217
   20    HZ3  DLY   2           HZ3      DLY   2  31.501  45.296  -0.637
   21    H    ASN   3           H        ASN   3  28.933  43.296   5.544
   22    HA   ASN   3           HA       ASN   3  28.316  40.443   6.327
   23    HB2  ASN   3           HB2      ASN   3  30.445  41.521   7.368
   24    HB3  ASN   3           HB1      ASN   3  29.249  42.532   8.220
   25   HD21  ASN   3          1HD2      ASN   3  28.592  41.726  10.215
   26   HD22  ASN   3          2HD2      ASN   3  28.712  39.980  10.623
   27    H    ASP   4           H        ASP   4  26.698  40.261   7.816
   28    HA   ASP   4           HA       ASP   4  24.531  40.606   8.564
   29    HB2  ASP   4           HB2      ASP   4  25.935  41.800  10.215
   30    HB3  ASP   4           HB1      ASP   4  25.752  43.349   9.344
   31    H    THR   5           H        THR   5  23.881  40.693   6.224
   32    HA   THR   5           HA       THR   5  22.764  41.222   4.590
   33    HB   THR   5           HB       THR   5  21.431  43.420   6.237
   34    HG1  THR   5           HG1      THR   5  21.137  40.663   6.562
   35   HG21  THR   5          1HG2      THR   5  20.563  42.783   3.848
   36   HG22  THR   5          2HG2      THR   5  19.463  43.116   5.180
   37   HG23  THR   5          3HG2      THR   5  19.809  41.444   4.630
   38    H    DSG   6           H        DAN   6  25.118  43.336   5.324
   39    HA   DSG   6           HA       DAN   6  24.947  44.258   2.519
   40    HB2  DSG   6           HB1      DAN   6  26.693  41.979   3.625
   41    HB3  DSG   6           HB2      DAN   6  26.781  42.711   2.059
   42   HD21  DSG   6          1HD2      DAN   6  25.651  39.935   3.647
   43   HD22  DSG   6          2HD2      DAN   6  24.371  39.689   2.408
   44    HA   DPR   7           HA       DPR   7  27.135  46.988   5.326
   45    HB2  DPR   7           HB1      DPR   7  27.141  48.889   3.017
   46    HB3  DPR   7           HB2      DPR   7  26.629  49.235   4.680
   47    HG2  DPR   7           HG1      DPR   7  24.692  48.831   2.793
   48    HG3  DPR   7           HG2      DPR   7  24.504  48.334   4.457
   49    HD2  DPR   7           HD1      DPR   7  24.936  46.547   2.220
   50    HD3  DPR   7           HD2      DPR   7  24.229  46.309   3.899
  Start of MODEL   20
    1    H1   THR   1           H1       THR   1  29.665  46.549   5.704
    2    HA   THR   1           HA       THR   1  30.877  47.195   3.130
    3    HB   THR   1           HB       THR   1  32.978  47.303   4.594
    4    HG1  THR   1           HG1      THR   1  31.095  47.902   6.656
    5   HG21  THR   1          1HG2      THR   1  32.320  49.504   5.347
    6   HG22  THR   1          2HG2      THR   1  30.631  49.155   4.929
    7   HG23  THR   1          3HG2      THR   1  31.880  49.190   3.599
    8    H    DLY   2           H        DLY   2  29.601  44.477   4.356
    9    HA   DLY   2           HA       DLY   2  31.833  42.600   4.036
   10    HB2  DLY   2           HB1      DLY   2  31.126  42.992   1.794
   11    HB3  DLY   2           HB2      DLY   2  29.379  42.754   2.319
   12    HG2  DLY   2           HG1      DLY   2  30.000  40.439   2.767
   13    HG3  DLY   2           HG2      DLY   2  31.647  40.658   2.244
   14    HD2  DLY   2           HD1      DLY   2  30.942  41.191  -0.006
   15    HD3  DLY   2           HD2      DLY   2  29.206  41.006   0.568
   16    HE2  DLY   2           HE1      DLY   2  29.565  38.718   1.051
   17    HE3  DLY   2           HE2      DLY   2  31.191  38.784   0.605
   18    HZ1  DLY   2           HZ1      DLY   2  30.489  39.412  -1.685
   19    HZ2  DLY   2           HZ2      DLY   2  28.943  39.100  -1.301
   20    HZ3  DLY   2           HZ3      DLY   2  30.166  37.908  -1.105
   21    H    ASN   3           H        ASN   3  28.628  43.142   5.363
   22    HA   ASN   3           HA       ASN   3  28.390  40.580   6.504
   23    HB2  ASN   3           HB2      ASN   3  30.501  41.686   7.909
   24    HB3  ASN   3           HB1      ASN   3  29.237  42.697   8.503
   25   HD21  ASN   3          1HD2      ASN   3  29.641  41.904  10.698
   26   HD22  ASN   3          2HD2      ASN   3  29.031  40.294  10.996
   27    H    ASP   4           H        ASP   4  26.620  40.430   8.036
   28    HA   ASP   4           HA       ASP   4  24.546  40.600   8.346
   29    HB2  ASP   4           HB2      ASP   4  25.758  41.546  10.191
   30    HB3  ASP   4           HB1      ASP   4  25.645  43.139   9.577
   31    H    THR   5           H        THR   5  23.905  40.555   6.336
   32    HA   THR   5           HA       THR   5  22.955  41.187   4.327
   33    HB   THR   5           HB       THR   5  21.033  42.893   5.919
   34    HG1  THR   5           HG1      THR   5  20.805  41.332   7.129
   35   HG21  THR   5          1HG2      THR   5  20.623  42.451   3.474
   36   HG22  THR   5          2HG2      THR   5  19.350  41.727   4.438
   37   HG23  THR   5          3HG2      THR   5  20.657  40.734   3.741
   38    H    DSG   6           H        DAN   6  25.197  42.603   4.876
   39    HA   DSG   6           HA       DAN   6  24.627  44.595   2.745
   40    HB2  DSG   6           HB1      DAN   6  26.643  42.383   2.457
   41    HB3  DSG   6           HB2      DAN   6  26.303  43.703   1.377
   42   HD21  DSG   6          1HD2      DAN   6  25.136  40.521   2.621
   43   HD22  DSG   6          2HD2      DAN   6  23.616  40.646   1.708
   44    HA   DPR   7           HA       DPR   7  27.287  46.693   5.726
   45    HB2  DPR   7           HB1      DPR   7  26.819  49.263   4.235
   46    HB3  DPR   7           HB2      DPR   7  26.668  48.802   5.982
   47    HG2  DPR   7           HG1      DPR   7  24.440  48.988   4.400
   48    HG3  DPR   7           HG2      DPR   7  24.740  47.876   5.749
   49    HD2  DPR   7           HD1      DPR   7  24.584  46.924   2.951
   50    HD3  DPR   7           HD2      DPR   7  24.250  46.291   4.498