*HEADER    DE NOVO PROTEIN                         25-OCT-17   6BEN              
*TITLE     SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN8.2                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: (DAR)Q(DPR)(DGN)R(DGL)PQ;                                  
*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 6BEN    0                                                
# Restraints file 1: dsym_noe.tbl
!-------------------------------------------------------------------------!
!NOE Table for D_Symmetric Hug peptide !
!Updated 111516 mds
!D_Symmetric Hug, 8mer arg GLN pro gln ARG glu PRO GLN
!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                    = 88 
!long range          (j-i >6)  = 5
!short range    (2 > j-i < 5)  = 14
!sequential          (i to j)  = 23
!intraresidue        (i to i)  = 46

!------------------------------------------------------------------------!
!*** Bacbone NOE***!
!HN-HA

!HN-HN 

!HA-HA


! arg 1
 assign ( resid  1 and name HA   ) ( resid  1 and name HN   ) 3.5 1.2 1.2
 assign ( resid  1 and name HA   ) ( resid  2 and name HN   ) 3.5 1.2 1.2
 assign ( resid  1 and name HB#  ) ( resid  1 and name HN   ) 3.5 1.2 1.2
 assign ( resid  1 and name HN   ) ( resid  8 and name HN   ) 3.5 1.2 1.2
 assign ( resid  1 and name HA   ) ( resid  2 and name HE22 ) 4.5 1.6 1.6
 assign ( resid  1 and name HB#  ) ( resid  4 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  1 and name HD#  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  1 and name HE   ) ( 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  1 and name HG2  ) ( resid  2 and name HE22 ) 4.5 1.6 1.6
 assign ( resid  1 and name HG1  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  1 and name HG1  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  1 and name HN   ) ( resid  2 and name HN   ) 4.5 1.6 1.6


! GLN 2
 assign ( resid  2 and name HA   ) ( resid  2 and name HN   ) 3.5 1.2 1.2
 assign ( resid  2 and name HE22 ) ( resid  2 and name HE21 ) 2.5 0.7 0.7
 assign ( resid  2 and name HA   ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HA   ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HA   ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HB#  ) ( 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 HG2  ) ( resid  8 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  2 and name HG1  ) ( resid  2 and name HE21 ) 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  2 and name HN   ) ( resid  8 and name HN   ) 4.5 1.6 1.6


! pro 3
 assign ( resid  3 and name HD#  ) ( resid  3 and name HG#  ) 3.5 1.2 1.2
 assign ( resid  3 and name HB2  ) ( resid  4 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  3 and name HB2  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HD#  ) ( resid  2 and name HA   ) 3.5 1.2 1.2
 assign ( resid  3 and name HD#  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HD#  ) ( resid  3 and name HA   ) 4.5 1.6 1.6
 assign ( resid  3 and name HD#  ) ( resid  3 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  3 and name HD#  ) ( resid  3 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  3 and name HD#  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HD#  ) ( resid  5 and name HN   ) 4.5 1.6 1.6

! gln 4
! assign ( resid  4 and name HE22 ) ( resid  4 and name HE21 ) 3.5 1.2 1.2
 assign ( resid  4 and name HA   ) ( resid  4 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  4 and name HA   ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HB#  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HE21 ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HG2  ) ( resid  4 and name HE21 ) 3.5 1.2 1.2
 assign ( resid  4 and name HG2  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HG1  ) ( resid  4 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  4 and name HG1  ) ( resid  4 and name HN   ) 4.5 1.6 1.6

! ARG 5
 assign ( resid  5 and name HA   ) ( resid  5 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 HB#  ) ( resid  5 and name HN   ) 3.5 1.2 1.2
 assign ( resid  5 and name HN   ) ( resid  4 and name HN   ) 3.5 1.2 1.2
 assign ( resid  5 and name HB#  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HB#  ) ( resid  8 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  5 and name HB#  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HD#  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HE   ) ( 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 HG1  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG1  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG1  ) ( resid  8 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  5 and name HN   ) ( resid  6 and name HN   ) 4.5 1.6 1.6


! glu 6
 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  6 and name HA   ) ( resid  2 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  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB#  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2  ) ( resid  1 and name HE   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1  ) ( resid  1 and name HE   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1  ) ( resid  8 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  6 and name HN   ) ( resid  8 and name HN   ) 4.5 1.6 1.6


! PRO 7
 assign ( resid  7 and name HD#  ) ( resid  7 and name HG#  ) 3.5 1.2 1.2
 assign ( resid  7 and name HB2  ) ( resid  8 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  7 and name HB2  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD#  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD#  ) ( resid  6 and name HA   ) 3.5 1.2 1.2
 assign ( resid  7 and name HD#  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD#  ) ( resid  7 and name HA   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD#  ) ( resid  7 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD#  ) ( resid  7 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD#  ) ( resid  8 and name HN   ) 4.5 1.6 1.6

! GLN 8
 assign ( resid  8 and name HA   ) ( resid  8 and name HN   ) 3.5 1.2 1.2
! assign ( resid  8 and name HE22 ) ( resid  8 and name HE21 ) 3.5 1.2 1.2
 assign ( resid  8 and name HA   ) ( resid  8 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  8 and name HB2  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HB1  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HE21 ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HG2  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HG2  ) ( resid  8 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  8 and name HG2  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HG1  ) ( resid  8 and name HN   ) 4.5 1.6 1.6


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   DAR   1           H1       DAR   1  24.550  37.220  24.340
    2    HA   DAR   1           HA       DAR   1  22.360  38.890  24.700
    3    HB2  DAR   1           HB1      DAR   1  22.730  37.270  22.800
    4    HB3  DAR   1           HB2      DAR   1  23.850  38.360  22.080
    5    HG2  DAR   1           HG1      DAR   1  21.930  40.020  21.920
    6    HG3  DAR   1           HG2      DAR   1  20.890  38.920  22.810
    7    HD2  DAR   1           HD1      DAR   1  20.590  38.970  20.260
    8    HD3  DAR   1           HD2      DAR   1  21.060  37.370  20.830
    9    HE   DAR   1           HE       DAR   1  23.400  38.920  20.150
   10   HH11  DAR   1          1HH1      DAR   1  24.470  38.950  18.530
   11   HH12  DAR   1          2HH1      DAR   1  23.840  38.500  16.970
   12   HH21  DAR   1          1HH2      DAR   1  20.810  37.290  18.410
   13   HH22  DAR   1          2HH2      DAR   1  21.770  36.870  17.120
   14    H    GLN   2           H        GLN   2  25.550  40.040  24.700
   15    HA   GLN   2           HA       GLN   2  24.790  42.740  24.070
   16    HB2  GLN   2           HB2      GLN   2  25.590  41.790  26.800
   17    HB3  GLN   2           HB1      GLN   2  25.660  43.550  26.460
   18    HG2  GLN   2           HG2      GLN   2  23.450  41.550  26.540
   19    HG3  GLN   2           HG1      GLN   2  23.880  42.810  27.740
   20   HE21  GLN   2          1HE2      GLN   2  21.190  42.260  26.510
   21   HE22  GLN   2          2HE2      GLN   2  20.700  43.700  25.650
   22    HA   DPR   3           HA       DPR   3  29.010  43.460  25.000
   23    HB2  DPR   3           HB1      DPR   3  29.240  45.170  22.560
   24    HB3  DPR   3           HB2      DPR   3  29.720  45.570  24.210
   25    HG2  DPR   3           HG1      DPR   3  27.310  46.560  23.460
   26    HG3  DPR   3           HG2      DPR   3  27.460  45.770  25.090
   27    HD2  DPR   3           HD1      DPR   3  26.320  44.560  22.540
   28    HD3  DPR   3           HD2      DPR   3  25.670  44.640  24.100
   29    H    DGN   4           H        DGN   4  28.020  42.040  22.100
   30    HA   DGN   4           HA       DGN   4  30.750  41.490  21.260
   31    HB2  DGN   4           HB1      DGN   4  28.210  40.590  19.850
   32    HB3  DGN   4           HB2      DGN   4  29.860  40.450  19.240
   33    HG2  DGN   4           HG1      DGN   4  30.020  42.710  18.770
   34    HG3  DGN   4           HG2      DGN   4  28.980  43.140  20.130
   35   HE21  DGN   4          1HE2      DGN   4  26.580  42.230  19.720
   36   HE22  DGN   4          2HE2      DGN   4  25.970  42.730  18.130
   37    H    ARG   5           H        ARG   5  29.450  40.230  23.700
   38    HA   ARG   5           HA       ARG   5  30.750  37.560  23.530
   39    HB2  ARG   5           HB2      ARG   5  29.330  39.200  25.700
   40    HB3  ARG   5           HB1      ARG   5  29.880  37.550  25.910
   41    HG2  ARG   5           HG2      ARG   5  32.230  38.200  25.590
   42    HG3  ARG   5           HG1      ARG   5  31.790  39.830  25.210
   43    HD2  ARG   5           HD2      ARG   5  32.580  39.920  27.310
   44    HD3  ARG   5           HD1      ARG   5  30.800  39.990  27.670
   45    HE   ARG   5           HE       ARG   5  31.830  37.350  27.660
   46   HH11  ARG   5          1HH1      ARG   5  31.930  36.290  29.820
   47   HH12  ARG   5          2HH1      ARG   5  32.440  37.260  31.130
   48   HH21  ARG   5          1HH2      ARG   5  31.890  40.390  29.810
   49   HH22  ARG   5          2HH2      ARG   5  32.120  39.390  31.170
   50    H    DGL   6           H        DGU   6  29.510  37.150  21.880
   51    HA   DGL   6           HA       DGU   6  27.740  35.900  20.900
   52    HB2  DGL   6           HB1      DGU   6  25.980  37.540  20.370
   53    HB3  DGL   6           HB2      DGU   6  27.540  37.980  20.140
   54    HG2  DGL   6           HG1      DGU   6  27.550  39.420  22.010
   55    HG3  DGL   6           HG2      DGU   6  26.000  38.840  22.700
   56    HA   PRO   7           HA       PRO   7  25.080  33.790  23.640
   57    HB2  PRO   7           HB2      PRO   7  27.270  33.360  25.710
   58    HB3  PRO   7           HB1      PRO   7  26.130  32.210  25.070
   59    HG2  PRO   7           HG2      PRO   7  28.810  32.420  24.250
   60    HG3  PRO   7           HG1      PRO   7  27.590  31.850  23.120
   61    HD2  PRO   7           HD2      PRO   7  28.840  34.500  23.480
   62    HD3  PRO   7           HD1      PRO   7  28.100  33.930  21.990
   63    H    GLN   8           H        GLN   8  26.680  36.430  25.350
   64    HA   GLN   8           HA       GLN   8  24.640  36.340  27.440
   65    HB2  GLN   8           HB2      GLN   8  26.470  38.710  27.050
   66    HB3  GLN   8           HB1      GLN   8  25.570  38.230  28.360
   67    HG2  GLN   8           HG2      GLN   8  27.020  36.100  28.540
   68    HG3  GLN   8           HG1      GLN   8  28.100  36.790  27.340
   69   HE21  GLN   8          1HE2      GLN   8  28.240  39.500  28.300
   70   HE22  GLN   8          2HE2      GLN   8  28.920  39.480  29.930
  Start of MODEL    2
    1    H1   DAR   1           H1       DAR   1  24.222  37.147  24.336
    2    HA   DAR   1           HA       DAR   1  22.191  39.105  24.508
    3    HB2  DAR   1           HB1      DAR   1  22.609  37.416  22.757
    4    HB3  DAR   1           HB2      DAR   1  23.933  38.380  22.075
    5    HG2  DAR   1           HG1      DAR   1  22.415  40.141  21.539
    6    HG3  DAR   1           HG2      DAR   1  21.031  39.367  22.250
    7    HD2  DAR   1           HD1      DAR   1  20.833  38.802  19.978
    8    HD3  DAR   1           HD2      DAR   1  21.312  37.366  20.788
    9    HE   DAR   1           HE       DAR   1  23.744  38.534  19.937
   10   HH11  DAR   1          1HH1      DAR   1  24.589  38.295  17.613
   11   HH12  DAR   1          2HH1      DAR   1  23.509  37.713  16.458
   12   HH21  DAR   1          1HH2      DAR   1  21.013  36.830  18.475
   13   HH22  DAR   1          2HH2      DAR   1  21.579  37.030  16.917
   14    H    GLN   2           H        GLN   2  25.541  39.875  24.743
   15    HA   GLN   2           HA       GLN   2  24.887  42.727  24.249
   16    HB2  GLN   2           HB2      GLN   2  25.784  41.545  26.900
   17    HB3  GLN   2           HB1      GLN   2  25.754  43.320  26.518
   18    HG2  GLN   2           HG2      GLN   2  23.282  41.604  26.500
   19    HG3  GLN   2           HG1      GLN   2  23.945  42.828  27.747
   20   HE21  GLN   2          1HE2      GLN   2  21.552  42.633  25.355
   21   HE22  GLN   2          2HE2      GLN   2  21.680  44.348  24.934
   22    HA   DPR   3           HA       DPR   3  29.253  43.363  25.226
   23    HB2  DPR   3           HB1      DPR   3  29.711  45.378  23.320
   24    HB3  DPR   3           HB2      DPR   3  28.753  45.649  24.819
   25    HG2  DPR   3           HG1      DPR   3  27.796  45.170  22.004
   26    HG3  DPR   3           HG2      DPR   3  27.286  46.475  23.043
   27    HD2  DPR   3           HD1      DPR   3  25.950  44.072  22.836
   28    HD3  DPR   3           HD2      DPR   3  26.068  44.862  24.451
   29    H    DGN   4           H        DGN   4  28.110  42.308  22.239
   30    HA   DGN   4           HA       DGN   4  30.780  41.830  21.071
   31    HB2  DGN   4           HB1      DGN   4  28.089  41.024  20.129
   32    HB3  DGN   4           HB2      DGN   4  29.568  40.847  19.142
   33    HG2  DGN   4           HG1      DGN   4  29.847  43.413  19.156
   34    HG3  DGN   4           HG2      DGN   4  28.404  43.556  20.003
   35   HE21  DGN   4          1HE2      DGN   4  26.794  44.468  18.575
   36   HE22  DGN   4          2HE2      DGN   4  26.562  43.635  17.003
   37    H    ARG   5           H        ARG   5  28.807  40.173  23.217
   38    HA   ARG   5           HA       ARG   5  30.838  37.962  23.133
   39    HB2  ARG   5           HB2      ARG   5  29.440  39.078  25.532
   40    HB3  ARG   5           HB1      ARG   5  30.423  37.684  25.586
   41    HG2  ARG   5           HG2      ARG   5  32.353  39.178  24.558
   42    HG3  ARG   5           HG1      ARG   5  31.349  40.506  25.325
   43    HD2  ARG   5           HD2      ARG   5  32.911  39.847  26.815
   44    HD3  ARG   5           HD1      ARG   5  31.418  39.088  27.313
   45    HE   ARG   5           HE       ARG   5  32.972  37.321  25.561
   46   HH11  ARG   5          1HH1      ARG   5  33.677  35.310  26.405
   47   HH12  ARG   5          2HH1      ARG   5  33.864  35.059  28.085
   48   HH21  ARG   5          1HH2      ARG   5  32.253  38.180  28.785
   49   HH22  ARG   5          2HH2      ARG   5  32.985  36.720  29.526
   50    H    DGL   6           H        DGU   6  29.586  36.376  21.935
   51    HA   DGL   6           HA       DGU   6  28.026  34.985  21.329
   52    HB2  DGL   6           HB1      DGU   6  26.216  36.253  20.342
   53    HB3  DGL   6           HB2      DGU   6  27.865  36.521  19.713
   54    HG2  DGL   6           HG1      DGU   6  27.812  38.683  20.872
   55    HG3  DGL   6           HG2      DGU   6  26.301  38.334  21.693
   56    HA   PRO   7           HA       PRO   7  24.870  33.726  23.799
   57    HB2  PRO   7           HB2      PRO   7  26.521  33.262  26.207
   58    HB3  PRO   7           HB1      PRO   7  25.534  32.073  25.213
   59    HG2  PRO   7           HG2      PRO   7  28.197  32.034  25.123
   60    HG3  PRO   7           HG1      PRO   7  27.247  31.933  23.594
   61    HD2  PRO   7           HD2      PRO   7  28.522  34.427  24.762
   62    HD3  PRO   7           HD1      PRO   7  28.604  33.683  23.062
   63    H    GLN   8           H        GLN   8  26.389  36.411  24.915
   64    HA   GLN   8           HA       GLN   8  25.004  36.732  27.494
   65    HB2  GLN   8           HB2      GLN   8  27.382  37.575  27.013
   66    HB3  GLN   8           HB1      GLN   8  26.591  38.811  26.119
   67    HG2  GLN   8           HG2      GLN   8  25.435  39.622  28.089
   68    HG3  GLN   8           HG1      GLN   8  26.104  38.314  29.144
   69   HE21  GLN   8          1HE2      GLN   8  27.814  40.317  26.647
   70   HE22  GLN   8          2HE2      GLN   8  28.923  40.935  27.838
  Start of MODEL    3
    1    H1   DAR   1           H1       DAR   1  24.571  37.403  24.166
    2    HA   DAR   1           HA       DAR   1  22.135  38.961  24.438
    3    HB2  DAR   1           HB1      DAR   1  22.437  37.456  22.753
    4    HB3  DAR   1           HB2      DAR   1  23.857  38.274  22.077
    5    HG2  DAR   1           HG1      DAR   1  22.499  40.190  21.509
    6    HG3  DAR   1           HG2      DAR   1  21.101  39.568  22.333
    7    HD2  DAR   1           HD1      DAR   1  20.878  39.120  19.960
    8    HD3  DAR   1           HD2      DAR   1  21.191  37.529  20.706
    9    HE   DAR   1           HE       DAR   1  23.615  38.816  19.647
   10   HH11  DAR   1          1HH1      DAR   1  24.649  37.881  18.011
   11   HH12  DAR   1          2HH1      DAR   1  23.836  36.729  17.005
   12   HH21  DAR   1          1HH2      DAR   1  20.961  36.551  18.764
   13   HH22  DAR   1          2HH2      DAR   1  21.764  36.270  17.190
   14    H    GLN   2           H        GLN   2  25.365  39.882  24.762
   15    HA   GLN   2           HA       GLN   2  24.896  42.665  24.049
   16    HB2  GLN   2           HB2      GLN   2  25.472  41.828  26.964
   17    HB3  GLN   2           HB1      GLN   2  25.665  43.374  26.389
   18    HG2  GLN   2           HG2      GLN   2  23.044  42.012  26.213
   19    HG3  GLN   2           HG1      GLN   2  23.583  43.141  27.564
   20   HE21  GLN   2          1HE2      GLN   2  22.022  43.081  24.543
   21   HE22  GLN   2          2HE2      GLN   2  22.029  44.797  24.195
   22    HA   DPR   3           HA       DPR   3  29.244  43.452  25.254
   23    HB2  DPR   3           HB1      DPR   3  29.793  45.476  23.720
   24    HB3  DPR   3           HB2      DPR   3  28.828  45.495  25.188
   25    HG2  DPR   3           HG1      DPR   3  27.727  45.578  22.364
   26    HG3  DPR   3           HG2      DPR   3  27.187  46.510  23.682
   27    HD2  DPR   3           HD1      DPR   3  25.985  44.093  23.092
   28    HD3  DPR   3           HD2      DPR   3  26.001  44.767  24.684
   29    H    DGN   4           H        DGN   4  28.275  42.050  22.201
   30    HA   DGN   4           HA       DGN   4  31.078  41.899  21.172
   31    HB2  DGN   4           HB1      DGN   4  28.360  40.920  20.133
   32    HB3  DGN   4           HB2      DGN   4  29.910  40.903  19.252
   33    HG2  DGN   4           HG1      DGN   4  30.063  43.183  19.059
   34    HG3  DGN   4           HG2      DGN   4  28.688  43.455  20.159
   35   HE21  DGN   4          1HE2      DGN   4  26.557  42.602  19.432
   36   HE22  DGN   4          2HE2      DGN   4  26.232  42.122  17.822
   37    H    ARG   5           H        ARG   5  29.106  40.306  23.515
   38    HA   ARG   5           HA       ARG   5  30.517  37.834  23.013
   39    HB2  ARG   5           HB2      ARG   5  29.563  39.295  25.493
   40    HB3  ARG   5           HB1      ARG   5  30.010  37.520  25.435
   41    HG2  ARG   5           HG2      ARG   5  32.255  38.135  24.687
   42    HG3  ARG   5           HG1      ARG   5  31.884  39.827  24.818
   43    HD2  ARG   5           HD2      ARG   5  33.112  39.160  26.750
   44    HD3  ARG   5           HD1      ARG   5  31.482  39.509  27.255
   45    HE   ARG   5           HE       ARG   5  31.300  36.878  26.948
   46   HH11  ARG   5          1HH1      ARG   5  31.953  35.255  28.287
   47   HH12  ARG   5          2HH1      ARG   5  32.751  35.649  29.805
   48   HH21  ARG   5          1HH2      ARG   5  33.013  38.996  29.280
   49   HH22  ARG   5          2HH2      ARG   5  33.349  37.625  30.270
   50    H    DGL   6           H        DGU   6  29.335  36.426  21.818
   51    HA   DGL   6           HA       DGU   6  27.725  35.165  21.247
   52    HB2  DGL   6           HB1      DGU   6  25.778  36.469  20.261
   53    HB3  DGL   6           HB2      DGU   6  27.176  36.819  19.634
   54    HG2  DGL   6           HG1      DGU   6  27.367  38.960  21.132
   55    HG3  DGL   6           HG2      DGU   6  25.852  38.443  21.811
   56    HA   PRO   7           HA       PRO   7  24.984  33.521  24.022
   57    HB2  PRO   7           HB2      PRO   7  27.176  33.276  26.163
   58    HB3  PRO   7           HB1      PRO   7  25.981  32.086  25.725
   59    HG2  PRO   7           HG2      PRO   7  28.466  31.955  24.597
   60    HG3  PRO   7           HG1      PRO   7  27.087  31.784  23.456
   61    HD2  PRO   7           HD2      PRO   7  28.739  34.204  24.054
   62    HD3  PRO   7           HD1      PRO   7  28.304  33.545  22.528
   63    H    GLN   8           H        GLN   8  26.464  36.439  24.916
   64    HA   GLN   8           HA       GLN   8  24.954  36.811  27.519
   65    HB2  GLN   8           HB2      GLN   8  27.378  37.573  27.059
   66    HB3  GLN   8           HB1      GLN   8  26.560  38.923  26.170
   67    HG2  GLN   8           HG2      GLN   8  25.486  39.739  28.149
   68    HG3  GLN   8           HG1      GLN   8  25.915  38.346  29.064
   69   HE21  GLN   8          1HE2      GLN   8  27.819  40.580  26.842
   70   HE22  GLN   8          2HE2      GLN   8  28.934  41.062  28.122
  Start of MODEL    4
    1    H1   DAR   1           H1       DAR   1  24.368  37.621  23.920
    2    HA   DAR   1           HA       DAR   1  22.028  39.176  24.362
    3    HB2  DAR   1           HB1      DAR   1  22.868  37.637  22.315
    4    HB3  DAR   1           HB2      DAR   1  23.747  39.082  21.842
    5    HG2  DAR   1           HG1      DAR   1  21.826  40.295  21.481
    6    HG3  DAR   1           HG2      DAR   1  20.762  39.071  22.304
    7    HD2  DAR   1           HD1      DAR   1  20.540  38.780  20.008
    8    HD3  DAR   1           HD2      DAR   1  21.454  37.400  20.643
    9    HE   DAR   1           HE       DAR   1  23.433  39.162  20.004
   10   HH11  DAR   1          1HH1      DAR   1  24.446  39.621  18.012
   11   HH12  DAR   1          2HH1      DAR   1  23.857  38.842  16.557
   12   HH21  DAR   1          1HH2      DAR   1  21.052  37.443  17.992
   13   HH22  DAR   1          2HH2      DAR   1  22.052  37.588  16.563
   14    H    GLN   2           H        GLN   2  25.342  40.042  24.273
   15    HA   GLN   2           HA       GLN   2  24.805  42.905  24.321
   16    HB2  GLN   2           HB2      GLN   2  25.374  41.292  26.810
   17    HB3  GLN   2           HB1      GLN   2  25.461  43.030  26.836
   18    HG2  GLN   2           HG2      GLN   2  22.936  41.557  26.372
   19    HG3  GLN   2           HG1      GLN   2  23.458  42.213  27.859
   20   HE21  GLN   2          1HE2      GLN   2  22.096  43.027  24.781
   21   HE22  GLN   2          2HE2      GLN   2  21.636  44.695  25.116
   22    HA   DPR   3           HA       DPR   3  29.180  43.163  25.406
   23    HB2  DPR   3           HB1      DPR   3  30.044  45.020  23.674
   24    HB3  DPR   3           HB2      DPR   3  28.991  45.395  25.156
   25    HG2  DPR   3           HG1      DPR   3  28.098  45.126  22.337
   26    HG3  DPR   3           HG2      DPR   3  27.668  46.362  23.540
   27    HD2  DPR   3           HD1      DPR   3  26.101  44.293  23.066
   28    HD3  DPR   3           HD2      DPR   3  26.390  44.904  24.835
   29    H    DGN   4           H        DGN   4  28.088  42.174  22.180
   30    HA   DGN   4           HA       DGN   4  30.886  41.721  21.401
   31    HB2  DGN   4           HB1      DGN   4  28.406  41.211  19.635
   32    HB3  DGN   4           HB2      DGN   4  30.070  41.339  19.284
   33    HG2  DGN   4           HG1      DGN   4  30.284  43.599  19.593
   34    HG3  DGN   4           HG2      DGN   4  28.716  43.851  20.227
   35   HE21  DGN   4          1HE2      DGN   4  26.902  43.881  18.866
   36   HE22  DGN   4          2HE2      DGN   4  27.003  43.928  17.088
   37    H    ARG   5           H        ARG   5  29.062  40.017  23.344
   38    HA   ARG   5           HA       ARG   5  30.726  37.624  22.689
   39    HB2  ARG   5           HB2      ARG   5  30.084  38.833  25.520
   40    HB3  ARG   5           HB1      ARG   5  31.063  37.408  25.030
   41    HG2  ARG   5           HG2      ARG   5  32.602  38.746  23.921
   42    HG3  ARG   5           HG1      ARG   5  31.732  40.223  24.392
   43    HD2  ARG   5           HD2      ARG   5  33.632  39.940  25.787
   44    HD3  ARG   5           HD1      ARG   5  32.195  39.742  26.771
   45    HE   ARG   5           HE       ARG   5  33.098  37.214  25.884
   46   HH11  ARG   5          1HH1      ARG   5  33.185  35.671  27.581
   47   HH12  ARG   5          2HH1      ARG   5  33.505  36.227  29.224
   48   HH21  ARG   5          1HH2      ARG   5  33.595  39.625  28.433
   49   HH22  ARG   5          2HH2      ARG   5  33.603  38.378  29.660
   50    H    DGL   6           H        DGU   6  29.527  36.669  21.718
   51    HA   DGL   6           HA       DGU   6  27.732  35.208  21.084
   52    HB2  DGL   6           HB1      DGU   6  25.856  36.703  20.341
   53    HB3  DGL   6           HB2      DGU   6  27.512  36.713  19.729
   54    HG2  DGL   6           HG1      DGU   6  27.918  38.829  20.920
   55    HG3  DGL   6           HG2      DGU   6  26.270  38.683  21.700
   56    HA   PRO   7           HA       PRO   7  25.197  33.461  24.221
   57    HB2  PRO   7           HB2      PRO   7  27.534  33.885  26.263
   58    HB3  PRO   7           HB1      PRO   7  26.459  32.429  26.118
   59    HG2  PRO   7           HG2      PRO   7  28.762  32.271  25.017
   60    HG3  PRO   7           HG1      PRO   7  27.454  31.800  24.004
   61    HD2  PRO   7           HD2      PRO   7  28.853  34.375  23.921
   62    HD3  PRO   7           HD1      PRO   7  27.964  33.503  22.501
   63    H    GLN   8           H        GLN   8  26.679  36.561  25.158
   64    HA   GLN   8           HA       GLN   8  24.739  36.913  27.347
   65    HB2  GLN   8           HB2      GLN   8  27.339  37.384  27.203
   66    HB3  GLN   8           HB1      GLN   8  26.849  38.850  26.269
   67    HG2  GLN   8           HG2      GLN   8  25.423  39.456  28.330
   68    HG3  GLN   8           HG1      GLN   8  26.189  38.150  29.119
   69   HE21  GLN   8          1HE2      GLN   8  27.653  40.605  26.756
   70   HE22  GLN   8          2HE2      GLN   8  28.784  41.220  27.889
  Start of MODEL    5
    1    H1   DAR   1           H1       DAR   1  24.484  37.328  24.432
    2    HA   DAR   1           HA       DAR   1  22.184  38.818  25.019
    3    HB2  DAR   1           HB1      DAR   1  22.336  37.252  23.181
    4    HB3  DAR   1           HB2      DAR   1  23.412  38.324  22.347
    5    HG2  DAR   1           HG1      DAR   1  21.569  39.945  22.195
    6    HG3  DAR   1           HG2      DAR   1  20.533  39.090  23.252
    7    HD2  DAR   1           HD1      DAR   1  19.724  38.609  21.063
    8    HD3  DAR   1           HD2      DAR   1  20.664  37.127  21.543
    9    HE   DAR   1           HE       DAR   1  21.222  39.208  19.503
   10   HH11  DAR   1          1HH1      DAR   1  22.542  38.876  17.886
   11   HH12  DAR   1          2HH1      DAR   1  23.670  37.514  18.060
   12   HH21  DAR   1          1HH2      DAR   1  22.676  36.407  21.173
   13   HH22  DAR   1          2HH2      DAR   1  23.809  36.222  19.905
   14    H    GLN   2           H        GLN   2  25.337  39.815  24.757
   15    HA   GLN   2           HA       GLN   2  24.806  42.594  23.898
   16    HB2  GLN   2           HB2      GLN   2  25.596  41.702  26.659
   17    HB3  GLN   2           HB1      GLN   2  25.668  43.441  26.153
   18    HG2  GLN   2           HG2      GLN   2  23.194  41.769  26.472
   19    HG3  GLN   2           HG1      GLN   2  23.637  43.113  27.505
   20   HE21  GLN   2          1HE2      GLN   2  21.227  43.456  26.574
   21   HE22  GLN   2          2HE2      GLN   2  21.056  44.265  25.102
   22    HA   DPR   3           HA       DPR   3  28.929  43.622  24.831
   23    HB2  DPR   3           HB1      DPR   3  29.652  45.238  22.641
   24    HB3  DPR   3           HB2      DPR   3  28.462  45.726  23.857
   25    HG2  DPR   3           HG1      DPR   3  27.890  44.454  21.115
   26    HG3  DPR   3           HG2      DPR   3  27.125  45.840  21.800
   27    HD2  DPR   3           HD1      DPR   3  26.001  43.319  22.101
   28    HD3  DPR   3           HD2      DPR   3  25.848  44.590  23.322
   29    H    DGN   4           H        DGN   4  28.380  41.961  21.743
   30    HA   DGN   4           HA       DGN   4  31.177  41.729  21.178
   31    HB2  DGN   4           HB1      DGN   4  28.737  40.181  20.128
   32    HB3  DGN   4           HB2      DGN   4  30.343  40.294  19.394
   33    HG2  DGN   4           HG1      DGN   4  30.000  42.737  19.044
   34    HG3  DGN   4           HG2      DGN   4  28.384  42.598  19.765
   35   HE21  DGN   4          1HE2      DGN   4  26.773  42.553  18.134
   36   HE22  DGN   4          2HE2      DGN   4  27.067  42.015  16.501
   37    H    ARG   5           H        ARG   5  29.249  40.086  23.433
   38    HA   ARG   5           HA       ARG   5  30.987  37.669  23.392
   39    HB2  ARG   5           HB2      ARG   5  29.679  39.335  25.642
   40    HB3  ARG   5           HB1      ARG   5  30.525  37.777  25.864
   41    HG2  ARG   5           HG2      ARG   5  31.727  40.377  24.870
   42    HG3  ARG   5           HG1      ARG   5  31.841  39.663  26.495
   43    HD2  ARG   5           HD2      ARG   5  32.955  38.213  24.157
   44    HD3  ARG   5           HD1      ARG   5  33.709  39.605  24.909
   45    HE   ARG   5           HE       ARG   5  33.306  36.879  26.039
   46   HH11  ARG   5          1HH1      ARG   5  34.552  36.334  27.750
   47   HH12  ARG   5          2HH1      ARG   5  35.614  37.553  28.590
   48   HH21  ARG   5          1HH2      ARG   5  34.366  40.238  26.770
   49   HH22  ARG   5          2HH2      ARG   5  35.616  39.706  27.827
   50    H    DGL   6           H        DGU   6  29.426  37.122  21.939
   51    HA   DGL   6           HA       DGU   6  27.670  35.967  20.974
   52    HB2  DGL   6           HB1      DGU   6  25.995  37.541  20.460
   53    HB3  DGL   6           HB2      DGU   6  27.557  38.069  20.215
   54    HG2  DGL   6           HG1      DGU   6  27.430  39.324  22.436
   55    HG3  DGL   6           HG2      DGU   6  25.766  38.783  22.676
   56    HA   PRO   7           HA       PRO   7  24.843  33.757  23.514
   57    HB2  PRO   7           HB2      PRO   7  27.157  33.285  25.508
   58    HB3  PRO   7           HB1      PRO   7  25.842  32.150  24.971
   59    HG2  PRO   7           HG2      PRO   7  28.355  32.192  23.742
   60    HG3  PRO   7           HG1      PRO   7  26.873  32.104  22.810
   61    HD2  PRO   7           HD2      PRO   7  28.657  34.443  23.408
   62    HD3  PRO   7           HD1      PRO   7  27.983  33.964  21.873
   63    H    GLN   8           H        GLN   8  26.531  36.459  25.316
   64    HA   GLN   8           HA       GLN   8  24.849  36.234  27.621
   65    HB2  GLN   8           HB2      GLN   8  27.391  37.066  27.363
   66    HB3  GLN   8           HB1      GLN   8  26.710  38.413  26.472
   67    HG2  GLN   8           HG2      GLN   8  25.644  39.245  28.468
   68    HG3  GLN   8           HG1      GLN   8  26.007  37.798  29.355
   69   HE21  GLN   8          1HE2      GLN   8  27.875  39.933  27.091
   70   HE22  GLN   8          2HE2      GLN   8  29.079  40.346  28.251
  Start of MODEL    6
    1    H1   DAR   1           H1       DAR   1  24.792  37.464  24.229
    2    HA   DAR   1           HA       DAR   1  22.375  38.943  24.322
    3    HB2  DAR   1           HB1      DAR   1  23.128  37.350  22.641
    4    HB3  DAR   1           HB2      DAR   1  24.109  38.612  21.917
    5    HG2  DAR   1           HG1      DAR   1  22.391  39.981  21.389
    6    HG3  DAR   1           HG2      DAR   1  21.187  39.193  22.299
    7    HD2  DAR   1           HD1      DAR   1  20.738  38.337  20.003
    8    HD3  DAR   1           HD2      DAR   1  21.405  37.120  20.963
    9    HE   DAR   1           HE       DAR   1  23.629  38.399  19.836
   10   HH11  DAR   1          1HH1      DAR   1  24.806  37.214  18.144
   11   HH12  DAR   1          2HH1      DAR   1  24.150  35.728  17.590
   12   HH21  DAR   1          1HH2      DAR   1  21.094  35.994  19.149
   13   HH22  DAR   1          2HH2      DAR   1  22.008  35.160  17.874
   14    H    GLN   2           H        GLN   2  25.522  40.063  24.838
   15    HA   GLN   2           HA       GLN   2  24.949  42.826  24.173
   16    HB2  GLN   2           HB2      GLN   2  25.484  41.606  26.926
   17    HB3  GLN   2           HB1      GLN   2  25.737  43.252  26.709
   18    HG2  GLN   2           HG2      GLN   2  23.213  41.516  26.582
   19    HG3  GLN   2           HG1      GLN   2  23.525  42.674  27.762
   20   HE21  GLN   2          1HE2      GLN   2  21.221  42.547  26.420
   21   HE22  GLN   2          2HE2      GLN   2  20.840  43.961  25.643
   22    HA   DPR   3           HA       DPR   3  29.138  43.626  25.275
   23    HB2  DPR   3           HB1      DPR   3  29.892  45.397  23.359
   24    HB3  DPR   3           HB2      DPR   3  28.780  45.829  24.714
   25    HG2  DPR   3           HG1      DPR   3  28.011  45.044  21.920
   26    HG3  DPR   3           HG2      DPR   3  27.389  46.414  22.857
   27    HD2  DPR   3           HD1      DPR   3  25.918  44.168  22.895
   28    HD3  DPR   3           HD2      DPR   3  26.157  44.890  24.472
   29    H    DGN   4           H        DGN   4  28.205  42.582  22.052
   30    HA   DGN   4           HA       DGN   4  30.869  41.990  21.064
   31    HB2  DGN   4           HB1      DGN   4  28.152  41.194  20.027
   32    HB3  DGN   4           HB2      DGN   4  29.810  40.907  19.334
   33    HG2  DGN   4           HG1      DGN   4  30.089  43.490  19.283
   34    HG3  DGN   4           HG2      DGN   4  28.501  43.549  19.992
   35   HE21  DGN   4          1HE2      DGN   4  27.017  44.203  18.166
   36   HE22  DGN   4          2HE2      DGN   4  27.045  43.143  16.740
   37    H    ARG   5           H        ARG   5  28.678  40.300  23.096
   38    HA   ARG   5           HA       ARG   5  30.467  37.840  23.096
   39    HB2  ARG   5           HB2      ARG   5  29.043  39.076  25.378
   40    HB3  ARG   5           HB1      ARG   5  30.089  37.663  25.543
   41    HG2  ARG   5           HG2      ARG   5  30.930  40.508  24.952
   42    HG3  ARG   5           HG1      ARG   5  31.105  39.499  26.412
   43    HD2  ARG   5           HD2      ARG   5  32.499  37.849  25.110
   44    HD3  ARG   5           HD1      ARG   5  32.359  39.017  23.764
   45    HE   ARG   5           HE       ARG   5  33.715  39.505  26.448
   46   HH11  ARG   5          1HH1      ARG   5  35.411  40.824  26.548
   47   HH12  ARG   5          2HH1      ARG   5  36.284  41.241  25.140
   48   HH21  ARG   5          1HH2      ARG   5  34.072  39.840  22.773
   49   HH22  ARG   5          2HH2      ARG   5  35.573  40.603  23.032
   50    H    DGL   6           H        DGU   6  29.463  36.320  22.119
   51    HA   DGL   6           HA       DGU   6  27.922  34.970  21.354
   52    HB2  DGL   6           HB1      DGU   6  25.976  36.068  20.263
   53    HB3  DGL   6           HB2      DGU   6  27.694  36.395  19.741
   54    HG2  DGL   6           HG1      DGU   6  27.707  38.538  20.681
   55    HG3  DGL   6           HG2      DGU   6  26.287  38.246  21.661
   56    HA   PRO   7           HA       PRO   7  24.916  33.315  24.060
   57    HB2  PRO   7           HB2      PRO   7  27.157  33.418  26.098
   58    HB3  PRO   7           HB1      PRO   7  25.895  32.152  25.926
   59    HG2  PRO   7           HG2      PRO   7  28.353  31.876  24.841
   60    HG3  PRO   7           HG1      PRO   7  26.959  31.542  23.764
   61    HD2  PRO   7           HD2      PRO   7  28.612  34.063  23.833
   62    HD3  PRO   7           HD1      PRO   7  28.039  33.012  22.505
   63    H    GLN   8           H        GLN   8  26.733  36.021  25.384
   64    HA   GLN   8           HA       GLN   8  24.917  36.676  27.595
   65    HB2  GLN   8           HB2      GLN   8  27.292  37.234  27.375
   66    HB3  GLN   8           HB1      GLN   8  26.893  38.505  26.207
   67    HG2  GLN   8           HG2      GLN   8  25.612  39.670  27.751
   68    HG3  GLN   8           HG1      GLN   8  25.772  38.438  28.989
   69   HE21  GLN   8          1HE2      GLN   8  28.119  40.264  26.804
   70   HE22  GLN   8          2HE2      GLN   8  29.167  40.702  28.067
  Start of MODEL    7
    1    H1   DAR   1           H1       DAR   1  24.559  37.629  23.894
    2    HA   DAR   1           HA       DAR   1  22.175  39.081  24.528
    3    HB2  DAR   1           HB1      DAR   1  22.669  37.680  22.456
    4    HB3  DAR   1           HB2      DAR   1  23.827  38.893  21.892
    5    HG2  DAR   1           HG1      DAR   1  22.055  40.432  21.709
    6    HG3  DAR   1           HG2      DAR   1  20.842  39.298  22.498
    7    HD2  DAR   1           HD1      DAR   1  20.479  39.015  20.234
    8    HD3  DAR   1           HD2      DAR   1  21.479  37.640  20.574
    9    HE   DAR   1           HE       DAR   1  23.414  39.210  19.641
   10   HH11  DAR   1          1HH1      DAR   1  24.017  38.461  17.810
   11   HH12  DAR   1          2HH1      DAR   1  23.020  38.529  16.362
   12   HH21  DAR   1          1HH2      DAR   1  20.142  39.603  18.047
   13   HH22  DAR   1          2HH2      DAR   1  20.929  39.343  16.573
   14    H    GLN   2           H        GLN   2  25.441  40.109  24.563
   15    HA   GLN   2           HA       GLN   2  24.834  42.788  24.057
   16    HB2  GLN   2           HB2      GLN   2  25.335  41.786  26.950
   17    HB3  GLN   2           HB1      GLN   2  25.665  43.426  26.579
   18    HG2  GLN   2           HG2      GLN   2  22.961  42.086  26.449
   19    HG3  GLN   2           HG1      GLN   2  23.569  43.105  27.745
   20   HE21  GLN   2          1HE2      GLN   2  21.239  44.321  27.267
   21   HE22  GLN   2          2HE2      GLN   2  21.534  45.442  25.992
   22    HA   DPR   3           HA       DPR   3  29.306  43.271  25.388
   23    HB2  DPR   3           HB1      DPR   3  29.510  45.177  23.271
   24    HB3  DPR   3           HB2      DPR   3  29.826  45.225  25.083
   25    HG2  DPR   3           HG1      DPR   3  27.541  46.513  23.876
   26    HG3  DPR   3           HG2      DPR   3  27.677  45.925  25.545
   27    HD2  DPR   3           HD1      DPR   3  26.463  44.721  23.103
   28    HD3  DPR   3           HD2      DPR   3  25.906  44.661  24.728
   29    H    DGN   4           H        DGN   4  28.112  42.405  22.255
   30    HA   DGN   4           HA       DGN   4  30.676  41.933  20.956
   31    HB2  DGN   4           HB1      DGN   4  27.820  41.327  20.498
   32    HB3  DGN   4           HB2      DGN   4  28.953  40.480  19.521
   33    HG2  DGN   4           HG1      DGN   4  28.105  42.535  18.529
   34    HG3  DGN   4           HG2      DGN   4  29.840  42.832  18.778
   35   HE21  DGN   4          1HE2      DGN   4  26.587  43.564  20.345
   36   HE22  DGN   4          2HE2      DGN   4  27.130  45.170  20.796
   37    H    ARG   5           H        ARG   5  29.304  40.285  23.510
   38    HA   ARG   5           HA       ARG   5  30.791  37.736  22.991
   39    HB2  ARG   5           HB2      ARG   5  29.372  38.624  25.473
   40    HB3  ARG   5           HB1      ARG   5  30.410  37.215  25.192
   41    HG2  ARG   5           HG2      ARG   5  32.410  38.783  24.610
   42    HG3  ARG   5           HG1      ARG   5  31.402  40.085  24.876
   43    HD2  ARG   5           HD2      ARG   5  30.968  39.202  27.255
   44    HD3  ARG   5           HD1      ARG   5  32.105  37.979  26.967
   45    HE   ARG   5           HE       ARG   5  33.090  40.730  26.326
   46   HH11  ARG   5          1HH1      ARG   5  35.004  41.201  27.564
   47   HH12  ARG   5          2HH1      ARG   5  35.119  40.773  29.271
   48   HH21  ARG   5          1HH2      ARG   5  32.215  38.925  29.233
   49   HH22  ARG   5          2HH2      ARG   5  33.554  39.357  30.192
   50    H    DGL   6           H        DGU   6  29.503  36.331  21.761
   51    HA   DGL   6           HA       DGU   6  27.918  34.929  21.257
   52    HB2  DGL   6           HB1      DGU   6  26.121  36.102  20.129
   53    HB3  DGL   6           HB2      DGU   6  27.697  36.687  19.742
   54    HG2  DGL   6           HG1      DGU   6  27.380  38.727  20.974
   55    HG3  DGL   6           HG2      DGU   6  25.809  38.095  21.658
   56    HA   PRO   7           HA       PRO   7  25.097  33.430  24.071
   57    HB2  PRO   7           HB2      PRO   7  27.356  33.669  26.186
   58    HB3  PRO   7           HB1      PRO   7  26.165  32.289  25.967
   59    HG2  PRO   7           HG2      PRO   7  28.661  32.024  24.946
   60    HG3  PRO   7           HG1      PRO   7  27.147  31.707  23.962
   61    HD2  PRO   7           HD2      PRO   7  28.836  34.192  23.995
   62    HD3  PRO   7           HD1      PRO   7  28.280  33.237  22.608
   63    H    GLN   8           H        GLN   8  26.599  36.436  24.978
   64    HA   GLN   8           HA       GLN   8  25.092  36.932  27.447
   65    HB2  GLN   8           HB2      GLN   8  27.476  37.617  26.817
   66    HB3  GLN   8           HB1      GLN   8  26.673  38.923  25.926
   67    HG2  GLN   8           HG2      GLN   8  25.538  39.597  27.938
   68    HG3  GLN   8           HG1      GLN   8  26.263  38.259  28.893
   69   HE21  GLN   8          1HE2      GLN   8  27.820  40.488  26.395
   70   HE22  GLN   8          2HE2      GLN   8  28.947  41.143  27.525
  Start of MODEL    8
    1    H1   DAR   1           H1       DAR   1  24.648  37.693  24.011
    2    HA   DAR   1           HA       DAR   1  22.178  39.238  24.533
    3    HB2  DAR   1           HB1      DAR   1  22.855  37.873  22.282
    4    HB3  DAR   1           HB2      DAR   1  23.445  39.536  21.930
    5    HG2  DAR   1           HG1      DAR   1  21.387  40.532  22.068
    6    HG3  DAR   1           HG2      DAR   1  20.652  39.096  22.875
    7    HD2  DAR   1           HD1      DAR   1  19.872  39.361  20.567
    8    HD3  DAR   1           HD2      DAR   1  20.827  37.920  20.727
    9    HE   DAR   1           HE       DAR   1  22.740  39.079  19.759
   10   HH11  DAR   1          1HH1      DAR   1  23.544  39.992  18.035
   11   HH12  DAR   1          2HH1      DAR   1  22.670  40.912  16.909
   12   HH21  DAR   1          1HH2      DAR   1  19.744  40.873  19.049
   13   HH22  DAR   1          2HH2      DAR   1  20.441  41.310  17.483
   14    H    GLN   2           H        GLN   2  25.462  40.052  24.598
   15    HA   GLN   2           HA       GLN   2  24.871  42.939  24.477
   16    HB2  GLN   2           HB2      GLN   2  25.997  41.734  26.928
   17    HB3  GLN   2           HB1      GLN   2  25.718  43.399  26.565
   18    HG2  GLN   2           HG2      GLN   2  23.434  41.372  27.007
   19    HG3  GLN   2           HG1      GLN   2  24.044  42.558  28.115
   20   HE21  GLN   2          1HE2      GLN   2  21.312  42.820  27.332
   21   HE22  GLN   2          2HE2      GLN   2  21.284  44.349  26.507
   22    HA   DPR   3           HA       DPR   3  29.164  43.634  25.284
   23    HB2  DPR   3           HB1      DPR   3  28.993  45.370  22.795
   24    HB3  DPR   3           HB2      DPR   3  29.818  45.673  24.325
   25    HG2  DPR   3           HG1      DPR   3  27.348  46.616  23.525
   26    HG3  DPR   3           HG2      DPR   3  27.566  46.074  25.298
   27    HD2  DPR   3           HD1      DPR   3  25.896  44.734  23.358
   28    HD3  DPR   3           HD2      DPR   3  25.888  44.817  24.965
   29    H    DGN   4           H        DGN   4  28.345  42.568  22.107
   30    HA   DGN   4           HA       DGN   4  31.112  42.092  21.360
   31    HB2  DGN   4           HB1      DGN   4  28.546  41.150  20.111
   32    HB3  DGN   4           HB2      DGN   4  30.173  40.817  19.416
   33    HG2  DGN   4           HG1      DGN   4  29.082  42.589  18.301
   34    HG3  DGN   4           HG2      DGN   4  30.648  43.084  19.063
   35   HE21  DGN   4          1HE2      DGN   4  27.011  43.104  20.030
   36   HE22  DGN   4          2HE2      DGN   4  27.204  44.835  20.258
   37    H    ARG   5           H        ARG   5  28.577  40.094  22.619
   38    HA   ARG   5           HA       ARG   5  30.330  37.784  22.773
   39    HB2  ARG   5           HB2      ARG   5  29.198  39.100  25.208
   40    HB3  ARG   5           HB1      ARG   5  29.766  37.408  25.173
   41    HG2  ARG   5           HG2      ARG   5  31.901  38.221  24.182
   42    HG3  ARG   5           HG1      ARG   5  31.476  39.899  24.645
   43    HD2  ARG   5           HD2      ARG   5  31.258  38.839  27.067
   44    HD3  ARG   5           HD1      ARG   5  32.098  37.439  26.288
   45    HE   ARG   5           HE       ARG   5  33.189  39.778  27.478
   46   HH11  ARG   5          1HH1      ARG   5  34.891  40.846  27.144
   47   HH12  ARG   5          2HH1      ARG   5  36.009  40.411  25.933
   48   HH21  ARG   5          1HH2      ARG   5  33.919  37.902  24.576
   49   HH22  ARG   5          2HH2      ARG   5  35.096  39.078  23.986
   50    H    DGL   6           H        DGU   6  29.238  36.423  21.667
   51    HA   DGL   6           HA       DGU   6  27.753  34.827  21.119
   52    HB2  DGL   6           HB1      DGU   6  25.555  35.828  20.293
   53    HB3  DGL   6           HB2      DGU   6  27.120  36.107  19.592
   54    HG2  DGL   6           HG1      DGU   6  27.087  38.379  20.305
   55    HG3  DGL   6           HG2      DGU   6  25.818  37.995  21.539
   56    HA   PRO   7           HA       PRO   7  25.439  33.076  24.375
   57    HB2  PRO   7           HB2      PRO   7  27.573  33.866  26.435
   58    HB3  PRO   7           HB1      PRO   7  26.667  32.392  26.326
   59    HG2  PRO   7           HG2      PRO   7  29.122  32.449  25.141
   60    HG3  PRO   7           HG1      PRO   7  27.763  31.632  24.306
   61    HD2  PRO   7           HD2      PRO   7  28.937  34.384  23.899
   62    HD3  PRO   7           HD1      PRO   7  28.369  33.205  22.692
   63    H    GLN   8           H        GLN   8  26.525  36.361  25.065
   64    HA   GLN   8           HA       GLN   8  24.994  36.709  27.408
   65    HB2  GLN   8           HB2      GLN   8  27.292  37.328  26.744
   66    HB3  GLN   8           HB1      GLN   8  26.618  38.641  25.857
   67    HG2  GLN   8           HG2      GLN   8  25.627  39.806  27.622
   68    HG3  GLN   8           HG1      GLN   8  25.819  38.411  28.687
   69   HE21  GLN   8          1HE2      GLN   8  27.996  40.385  26.542
   70   HE22  GLN   8          2HE2      GLN   8  29.197  40.676  27.859
  Start of MODEL    9
    1    H1   DAR   1           H1       DAR   1  24.403  37.377  24.128
    2    HA   DAR   1           HA       DAR   1  22.138  39.091  24.518
    3    HB2  DAR   1           HB1      DAR   1  22.928  37.422  22.529
    4    HB3  DAR   1           HB2      DAR   1  23.507  38.940  21.920
    5    HG2  DAR   1           HG1      DAR   1  21.364  39.969  21.802
    6    HG3  DAR   1           HG2      DAR   1  20.629  38.520  22.590
    7    HD2  DAR   1           HD1      DAR   1  20.241  38.402  20.114
    8    HD3  DAR   1           HD2      DAR   1  21.498  37.213  20.613
    9    HE   DAR   1           HE       DAR   1  23.069  38.474  19.527
   10   HH11  DAR   1          1HH1      DAR   1  23.874  40.068  18.301
   11   HH12  DAR   1          2HH1      DAR   1  22.879  41.235  17.501
   12   HH21  DAR   1          1HH2      DAR   1  19.907  40.167  19.231
   13   HH22  DAR   1          2HH2      DAR   1  20.681  41.308  18.131
   14    H    GLN   2           H        GLN   2  25.445  39.969  24.634
   15    HA   GLN   2           HA       GLN   2  24.777  42.757  24.178
   16    HB2  GLN   2           HB2      GLN   2  25.714  41.729  26.852
   17    HB3  GLN   2           HB1      GLN   2  25.748  43.373  26.422
   18    HG2  GLN   2           HG2      GLN   2  23.207  41.826  26.793
   19    HG3  GLN   2           HG1      GLN   2  23.773  43.169  27.734
   20   HE21  GLN   2          1HE2      GLN   2  21.752  42.250  25.375
   21   HE22  GLN   2          2HE2      GLN   2  21.430  43.796  24.584
   22    HA   DPR   3           HA       DPR   3  29.163  43.262  25.350
   23    HB2  DPR   3           HB1      DPR   3  29.979  45.110  23.612
   24    HB3  DPR   3           HB2      DPR   3  29.087  45.558  25.033
   25    HG2  DPR   3           HG1      DPR   3  27.883  45.676  22.435
   26    HG3  DPR   3           HG2      DPR   3  27.424  46.438  24.001
   27    HD2  DPR   3           HD1      DPR   3  26.302  44.203  22.722
   28    HD3  DPR   3           HD2      DPR   3  25.997  44.751  24.375
   29    H    DGN   4           H        DGN   4  28.130  42.260  22.205
   30    HA   DGN   4           HA       DGN   4  30.831  41.669  21.202
   31    HB2  DGN   4           HB1      DGN   4  28.193  41.700  20.106
   32    HB3  DGN   4           HB2      DGN   4  29.424  40.782  19.277
   33    HG2  DGN   4           HG1      DGN   4  29.316  42.893  18.371
   34    HG3  DGN   4           HG2      DGN   4  30.890  42.874  19.160
   35   HE21  DGN   4          1HE2      DGN   4  27.397  43.861  19.676
   36   HE22  DGN   4          2HE2      DGN   4  27.849  45.429  20.147
   37    H    ARG   5           H        ARG   5  29.748  40.236  23.487
   38    HA   ARG   5           HA       ARG   5  30.767  37.544  22.871
   39    HB2  ARG   5           HB2      ARG   5  29.869  38.984  25.291
   40    HB3  ARG   5           HB1      ARG   5  30.069  37.243  25.432
   41    HG2  ARG   5           HG2      ARG   5  32.580  37.982  24.329
   42    HG3  ARG   5           HG1      ARG   5  32.109  39.535  25.060
   43    HD2  ARG   5           HD2      ARG   5  32.406  36.854  26.395
   44    HD3  ARG   5           HD1      ARG   5  33.470  38.346  26.534
   45    HE   ARG   5           HE       ARG   5  31.045  37.488  27.860
   46   HH11  ARG   5          1HH1      ARG   5  30.572  38.471  29.706
   47   HH12  ARG   5          2HH1      ARG   5  31.815  39.499  30.384
   48   HH21  ARG   5          1HH2      ARG   5  33.178  40.444  27.314
   49   HH22  ARG   5          2HH2      ARG   5  32.975  40.919  28.925
   50    H    DGL   6           H        DGU   6  29.264  36.924  21.430
   51    HA   DGL   6           HA       DGU   6  27.583  35.306  21.089
   52    HB2  DGL   6           HB1      DGU   6  25.638  36.476  20.378
   53    HB3  DGL   6           HB2      DGU   6  27.157  36.936  19.648
   54    HG2  DGL   6           HG1      DGU   6  27.292  38.964  21.018
   55    HG3  DGL   6           HG2      DGU   6  25.677  38.588  21.684
   56    HA   PRO   7           HA       PRO   7  25.385  33.395  24.295
   57    HB2  PRO   7           HB2      PRO   7  27.617  34.088  26.161
   58    HB3  PRO   7           HB1      PRO   7  26.812  32.457  26.069
   59    HG2  PRO   7           HG2      PRO   7  29.123  32.727  24.897
   60    HG3  PRO   7           HG1      PRO   7  27.815  32.075  23.904
   61    HD2  PRO   7           HD2      PRO   7  28.997  34.769  23.813
   62    HD3  PRO   7           HD1      PRO   7  28.243  33.827  22.463
   63    H    GLN   8           H        GLN   8  26.416  36.734  24.906
   64    HA   GLN   8           HA       GLN   8  24.804  36.845  27.401
   65    HB2  GLN   8           HB2      GLN   8  27.340  37.558  27.087
   66    HB3  GLN   8           HB1      GLN   8  26.546  38.930  26.298
   67    HG2  GLN   8           HG2      GLN   8  25.340  39.625  28.217
   68    HG3  GLN   8           HG1      GLN   8  25.986  38.223  29.106
   69   HE21  GLN   8          1HE2      GLN   8  27.636  40.642  27.017
   70   HE22  GLN   8          2HE2      GLN   8  28.849  40.968  28.268
  Start of MODEL   10
    1    H1   DAR   1           H1       DAR   1  24.401  37.256  24.071
    2    HA   DAR   1           HA       DAR   1  22.223  39.159  24.112
    3    HB2  DAR   1           HB1      DAR   1  22.678  37.448  22.321
    4    HB3  DAR   1           HB2      DAR   1  24.086  38.353  21.852
    5    HG2  DAR   1           HG1      DAR   1  22.744  40.183  21.039
    6    HG3  DAR   1           HG2      DAR   1  21.292  39.321  21.790
    7    HD2  DAR   1           HD1      DAR   1  21.040  38.847  19.704
    8    HD3  DAR   1           HD2      DAR   1  21.839  37.434  20.224
    9    HE   DAR   1           HE       DAR   1  23.816  39.256  19.287
   10   HH11  DAR   1          1HH1      DAR   1  24.850  38.838  17.362
   11   HH12  DAR   1          2HH1      DAR   1  23.993  37.927  16.086
   12   HH21  DAR   1          1HH2      DAR   1  21.125  37.303  17.619
   13   HH22  DAR   1          2HH2      DAR   1  21.967  37.339  16.154
   14    H    GLN   2           H        GLN   2  25.398  39.980  24.897
   15    HA   GLN   2           HA       GLN   2  24.833  42.682  24.048
   16    HB2  GLN   2           HB2      GLN   2  25.158  41.674  26.912
   17    HB3  GLN   2           HB1      GLN   2  25.264  43.438  26.454
   18    HG2  GLN   2           HG2      GLN   2  22.897  41.593  26.117
   19    HG3  GLN   2           HG1      GLN   2  23.151  42.673  27.423
   20   HE21  GLN   2          1HE2      GLN   2  20.852  43.031  25.943
   21   HE22  GLN   2          2HE2      GLN   2  20.949  44.622  25.091
   22    HA   DPR   3           HA       DPR   3  29.196  43.089  25.488
   23    HB2  DPR   3           HB1      DPR   3  29.452  45.112  23.366
   24    HB3  DPR   3           HB2      DPR   3  29.853  45.222  25.184
   25    HG2  DPR   3           HG1      DPR   3  27.710  46.598  24.288
   26    HG3  DPR   3           HG2      DPR   3  27.621  45.661  25.806
   27    HD2  DPR   3           HD1      DPR   3  26.585  44.645  23.158
   28    HD3  DPR   3           HD2      DPR   3  25.887  44.583  24.856
   29    H    DGN   4           H        DGN   4  28.120  42.364  22.239
   30    HA   DGN   4           HA       DGN   4  30.885  41.964  21.338
   31    HB2  DGN   4           HB1      DGN   4  28.327  41.506  19.813
   32    HB3  DGN   4           HB2      DGN   4  29.936  41.390  19.214
   33    HG2  DGN   4           HG1      DGN   4  29.021  43.384  18.424
   34    HG3  DGN   4           HG2      DGN   4  30.437  43.733  19.251
   35   HE21  DGN   4          1HE2      DGN   4  26.922  43.675  19.625
   36   HE22  DGN   4          2HE2      DGN   4  26.778  45.230  20.398
   37    H    ARG   5           H        ARG   5  29.345  40.114  23.375
   38    HA   ARG   5           HA       ARG   5  30.621  37.665  22.369
   39    HB2  ARG   5           HB2      ARG   5  30.223  39.081  25.008
   40    HB3  ARG   5           HB1      ARG   5  30.759  37.407  24.939
   41    HG2  ARG   5           HG2      ARG   5  32.127  40.000  24.072
   42    HG3  ARG   5           HG1      ARG   5  32.617  38.685  25.254
   43    HD2  ARG   5           HD2      ARG   5  33.329  37.199  23.573
   44    HD3  ARG   5           HD1      ARG   5  32.827  38.358  22.299
   45    HE   ARG   5           HE       ARG   5  34.499  39.792  23.722
   46   HH11  ARG   5          1HH1      ARG   5  36.810  39.841  23.481
   47   HH12  ARG   5          2HH1      ARG   5  37.636  38.320  23.061
   48   HH21  ARG   5          1HH2      ARG   5  34.822  36.520  22.218
   49   HH22  ARG   5          2HH2      ARG   5  36.558  36.525  22.462
   50    H    DGL   6           H        DGU   6  29.373  36.451  21.680
   51    HA   DGL   6           HA       DGU   6  27.469  35.042  21.193
   52    HB2  DGL   6           HB1      DGU   6  25.465  36.672  20.673
   53    HB3  DGL   6           HB2      DGU   6  26.939  36.677  19.768
   54    HG2  DGL   6           HG1      DGU   6  27.832  38.695  20.923
   55    HG3  DGL   6           HG2      DGU   6  26.475  38.807  21.833
   56    HA   PRO   7           HA       PRO   7  25.292  33.354  24.402
   57    HB2  PRO   7           HB2      PRO   7  27.244  33.897  26.605
   58    HB3  PRO   7           HB1      PRO   7  26.520  32.345  26.220
   59    HG2  PRO   7           HG2      PRO   7  28.976  32.612  25.294
   60    HG3  PRO   7           HG1      PRO   7  27.642  31.926  24.401
   61    HD2  PRO   7           HD2      PRO   7  28.953  34.676  23.976
   62    HD3  PRO   7           HD1      PRO   7  28.292  33.606  22.761
   63    H    GLN   8           H        GLN   8  26.514  36.559  25.212
   64    HA   GLN   8           HA       GLN   8  24.775  36.870  27.488
   65    HB2  GLN   8           HB2      GLN   8  26.641  38.718  25.962
   66    HB3  GLN   8           HB1      GLN   8  25.779  39.079  27.546
   67    HG2  GLN   8           HG2      GLN   8  26.945  37.231  28.554
   68    HG3  GLN   8           HG1      GLN   8  27.920  37.056  27.100
   69   HE21  GLN   8          1HE2      GLN   8  28.326  40.002  26.509
   70   HE22  GLN   8          2HE2      GLN   8  29.450  40.513  27.636
  Start of MODEL   11
    1    H1   DAR   1           H1       DAR   1  24.792  37.594  24.212
    2    HA   DAR   1           HA       DAR   1  22.337  39.182  24.519
    3    HB2  DAR   1           HB1      DAR   1  22.757  37.606  22.600
    4    HB3  DAR   1           HB2      DAR   1  24.071  38.768  22.082
    5    HG2  DAR   1           HG1      DAR   1  22.463  40.457  21.629
    6    HG3  DAR   1           HG2      DAR   1  21.143  39.635  22.525
    7    HD2  DAR   1           HD1      DAR   1  20.793  39.385  20.243
    8    HD3  DAR   1           HD2      DAR   1  21.447  37.841  20.750
    9    HE   DAR   1           HE       DAR   1  23.642  39.175  19.800
   10   HH11  DAR   1          1HH1      DAR   1  24.561  38.991  17.859
   11   HH12  DAR   1          2HH1      DAR   1  23.536  38.549  16.474
   12   HH21  DAR   1          1HH2      DAR   1  20.556  38.385  18.319
   13   HH22  DAR   1          2HH2      DAR   1  21.278  38.322  16.741
   14    H    GLN   2           H        GLN   2  25.721  39.850  24.654
   15    HA   GLN   2           HA       GLN   2  24.956  42.686  24.506
   16    HB2  GLN   2           HB2      GLN   2  26.469  41.505  26.961
   17    HB3  GLN   2           HB1      GLN   2  26.186  43.135  26.633
   18    HG2  GLN   2           HG2      GLN   2  24.004  40.994  27.019
   19    HG3  GLN   2           HG1      GLN   2  24.808  41.868  28.305
   20   HE21  GLN   2          1HE2      GLN   2  22.559  42.751  28.859
   21   HE22  GLN   2          2HE2      GLN   2  21.944  44.112  27.885
   22    HA   DPR   3           HA       DPR   3  29.351  44.012  24.917
   23    HB2  DPR   3           HB1      DPR   3  28.447  45.542  22.480
   24    HB3  DPR   3           HB2      DPR   3  29.621  45.964  23.781
   25    HG2  DPR   3           HG1      DPR   3  26.920  46.662  23.833
   26    HG3  DPR   3           HG2      DPR   3  27.708  46.072  25.321
   27    HD2  DPR   3           HD1      DPR   3  25.902  44.604  23.356
   28    HD3  DPR   3           HD2      DPR   3  25.863  44.581  25.067
   29    H    DGN   4           H        DGN   4  28.209  42.336  22.036
   30    HA   DGN   4           HA       DGN   4  31.002  41.989  21.235
   31    HB2  DGN   4           HB1      DGN   4  28.535  41.367  19.766
   32    HB3  DGN   4           HB2      DGN   4  30.136  40.799  19.216
   33    HG2  DGN   4           HG1      DGN   4  29.881  42.829  18.067
   34    HG3  DGN   4           HG2      DGN   4  30.869  43.240  19.487
   35   HE21  DGN   4          1HE2      DGN   4  27.203  43.028  18.769
   36   HE22  DGN   4          2HE2      DGN   4  26.934  44.572  19.567
   37    H    ARG   5           H        ARG   5  29.129  40.413  23.417
   38    HA   ARG   5           HA       ARG   5  30.536  37.876  22.727
   39    HB2  ARG   5           HB2      ARG   5  29.645  39.194  25.378
   40    HB3  ARG   5           HB1      ARG   5  30.059  37.508  25.459
   41    HG2  ARG   5           HG2      ARG   5  31.798  39.813  24.950
   42    HG3  ARG   5           HG1      ARG   5  31.749  38.653  26.322
   43    HD2  ARG   5           HD2      ARG   5  33.652  38.041  25.281
   44    HD3  ARG   5           HD1      ARG   5  32.475  36.893  24.608
   45    HE   ARG   5           HE       ARG   5  32.881  39.366  23.046
   46   HH11  ARG   5          1HH1      ARG   5  33.549  39.155  20.872
   47   HH12  ARG   5          2HH1      ARG   5  34.142  37.560  20.356
   48   HH21  ARG   5          1HH2      ARG   5  33.696  35.868  23.274
   49   HH22  ARG   5          2HH2      ARG   5  33.982  35.766  21.581
   50    H    DGL   6           H        DGU   6  29.524  36.239  22.038
   51    HA   DGL   6           HA       DGU   6  27.917  34.985  21.447
   52    HB2  DGL   6           HB1      DGU   6  26.088  36.268  20.349
   53    HB3  DGL   6           HB2      DGU   6  27.758  36.602  19.909
   54    HG2  DGL   6           HG1      DGU   6  27.907  38.654  20.854
   55    HG3  DGL   6           HG2      DGU   6  26.382  38.447  21.847
   56    HA   PRO   7           HA       PRO   7  25.008  33.371  23.878
   57    HB2  PRO   7           HB2      PRO   7  26.561  32.888  26.241
   58    HB3  PRO   7           HB1      PRO   7  25.938  31.710  24.999
   59    HG2  PRO   7           HG2      PRO   7  28.652  32.295  25.328
   60    HG3  PRO   7           HG1      PRO   7  27.872  32.050  23.720
   61    HD2  PRO   7           HD2      PRO   7  28.389  34.704  25.056
   62    HD3  PRO   7           HD1      PRO   7  28.859  34.113  23.444
   63    H    GLN   8           H        GLN   8  26.289  36.201  25.273
   64    HA   GLN   8           HA       GLN   8  24.038  36.365  27.306
   65    HB2  GLN   8           HB2      GLN   8  26.493  38.001  26.899
   66    HB3  GLN   8           HB1      GLN   8  25.371  38.274  28.158
   67    HG2  GLN   8           HG2      GLN   8  27.064  37.231  29.344
   68    HG3  GLN   8           HG1      GLN   8  25.872  35.996  29.115
   69   HE21  GLN   8          1HE2      GLN   8  28.787  37.430  27.729
   70   HE22  GLN   8          2HE2      GLN   8  29.373  35.890  26.929
  Start of MODEL   12
    1    H1   DAR   1           H1       DAR   1  24.659  37.411  24.180
    2    HA   DAR   1           HA       DAR   1  22.183  38.824  24.224
    3    HB2  DAR   1           HB1      DAR   1  22.721  37.392  22.480
    4    HB3  DAR   1           HB2      DAR   1  24.164  38.279  22.036
    5    HG2  DAR   1           HG1      DAR   1  22.782  40.176  21.206
    6    HG3  DAR   1           HG2      DAR   1  21.349  39.555  21.926
    7    HD2  DAR   1           HD1      DAR   1  21.263  39.123  19.614
    8    HD3  DAR   1           HD2      DAR   1  21.471  37.578  20.469
    9    HE   DAR   1           HE       DAR   1  23.632  39.132  19.141
   10   HH11  DAR   1          1HH1      DAR   1  24.827  38.034  17.279
   11   HH12  DAR   1          2HH1      DAR   1  24.274  36.422  16.920
   12   HH21  DAR   1          1HH2      DAR   1  21.801  36.188  19.210
   13   HH22  DAR   1          2HH2      DAR   1  22.642  35.497  17.802
   14    H    GLN   2           H        GLN   2  25.396  39.898  24.619
   15    HA   GLN   2           HA       GLN   2  24.669  42.698  24.321
   16    HB2  GLN   2           HB2      GLN   2  25.089  41.305  26.856
   17    HB3  GLN   2           HB1      GLN   2  25.359  43.064  26.612
   18    HG2  GLN   2           HG2      GLN   2  22.665  41.712  26.230
   19    HG3  GLN   2           HG1      GLN   2  23.394  42.592  27.635
   20   HE21  GLN   2          1HE2      GLN   2  21.219  42.830  25.390
   21   HE22  GLN   2          2HE2      GLN   2  21.333  44.516  24.882
   22    HA   DPR   3           HA       DPR   3  28.956  43.199  25.346
   23    HB2  DPR   3           HB1      DPR   3  28.913  45.130  22.942
   24    HB3  DPR   3           HB2      DPR   3  29.614  45.435  24.591
   25    HG2  DPR   3           HG1      DPR   3  27.219  46.456  23.898
   26    HG3  DPR   3           HG2      DPR   3  27.426  45.557  25.467
   27    HD2  DPR   3           HD1      DPR   3  26.348  44.541  22.741
   28    HD3  DPR   3           HD2      DPR   3  25.643  44.415  24.424
   29    H    DGN   4           H        DGN   4  28.345  42.361  22.044
   30    HA   DGN   4           HA       DGN   4  31.132  42.038  21.326
   31    HB2  DGN   4           HB1      DGN   4  28.400  41.282  20.048
   32    HB3  DGN   4           HB2      DGN   4  29.975  40.757  19.408
   33    HG2  DGN   4           HG1      DGN   4  29.082  42.835  18.283
   34    HG3  DGN   4           HG2      DGN   4  30.615  43.046  19.122
   35   HE21  DGN   4          1HE2      DGN   4  26.977  43.250  19.946
   36   HE22  DGN   4          2HE2      DGN   4  27.356  44.893  20.637
   37    H    ARG   5           H        ARG   5  29.111  40.166  23.254
   38    HA   ARG   5           HA       ARG   5  30.481  37.594  22.716
   39    HB2  ARG   5           HB2      ARG   5  29.911  39.000  25.317
   40    HB3  ARG   5           HB1      ARG   5  30.140  37.240  25.199
   41    HG2  ARG   5           HG2      ARG   5  32.284  37.588  24.095
   42    HG3  ARG   5           HG1      ARG   5  32.092  39.382  24.412
   43    HD2  ARG   5           HD2      ARG   5  32.005  37.175  26.464
   44    HD3  ARG   5           HD1      ARG   5  33.489  38.164  26.139
   45    HE   ARG   5           HE       ARG   5  31.463  39.988  26.953
   46   HH11  ARG   5          1HH1      ARG   5  31.297  40.875  29.008
   47   HH12  ARG   5          2HH1      ARG   5  32.302  40.284  30.238
   48   HH21  ARG   5          1HH2      ARG   5  33.492  37.484  28.414
   49   HH22  ARG   5          2HH2      ARG   5  33.507  38.305  29.911
   50    H    DGL   6           H        DGU   6  29.262  36.356  21.720
   51    HA   DGL   6           HA       DGU   6  27.405  35.053  21.271
   52    HB2  DGL   6           HB1      DGU   6  25.510  36.764  20.501
   53    HB3  DGL   6           HB2      DGU   6  27.081  36.644  19.662
   54    HG2  DGL   6           HG1      DGU   6  27.938  38.640  20.574
   55    HG3  DGL   6           HG2      DGU   6  26.489  38.808  21.509
   56    HA   PRO   7           HA       PRO   7  25.028  33.650  24.189
   57    HB2  PRO   7           HB2      PRO   7  27.287  33.352  26.089
   58    HB3  PRO   7           HB1      PRO   7  26.043  32.173  25.652
   59    HG2  PRO   7           HG2      PRO   7  28.645  32.120  24.512
   60    HG3  PRO   7           HG1      PRO   7  27.262  32.001  23.398
   61    HD2  PRO   7           HD2      PRO   7  28.764  34.524  24.156
   62    HD3  PRO   7           HD1      PRO   7  28.387  33.891  22.608
   63    H    GLN   8           H        GLN   8  26.703  36.556  25.194
   64    HA   GLN   8           HA       GLN   8  24.957  36.910  27.548
   65    HB2  GLN   8           HB2      GLN   8  26.635  39.081  26.250
   66    HB3  GLN   8           HB1      GLN   8  25.949  38.983  27.839
   67    HG2  GLN   8           HG2      GLN   8  27.537  37.246  28.429
   68    HG3  GLN   8           HG1      GLN   8  28.358  37.503  26.793
   69   HE21  GLN   8          1HE2      GLN   8  28.561  40.086  26.460
   70   HE22  GLN   8          2HE2      GLN   8  29.263  40.942  27.793
  Start of MODEL   13
    1    H1   DAR   1           H1       DAR   1  24.706  37.546  24.045
    2    HA   DAR   1           HA       DAR   1  22.126  38.814  24.161
    3    HB2  DAR   1           HB1      DAR   1  23.103  37.423  22.208
    4    HB3  DAR   1           HB2      DAR   1  23.977  38.827  21.804
    5    HG2  DAR   1           HG1      DAR   1  21.973  40.195  21.680
    6    HG3  DAR   1           HG2      DAR   1  20.947  38.914  22.161
    7    HD2  DAR   1           HD1      DAR   1  20.775  39.107  19.743
    8    HD3  DAR   1           HD2      DAR   1  21.792  37.642  20.116
    9    HE   DAR   1           HE       DAR   1  23.710  39.491  19.595
   10   HH11  DAR   1          1HH1      DAR   1  24.375  40.448  17.752
   11   HH12  DAR   1          2HH1      DAR   1  23.718  39.977  16.258
   12   HH21  DAR   1          1HH2      DAR   1  20.910  38.457  17.823
   13   HH22  DAR   1          2HH2      DAR   1  21.327  39.318  16.377
   14    H    GLN   2           H        GLN   2  25.376  39.806  24.698
   15    HA   GLN   2           HA       GLN   2  24.835  42.669  24.458
   16    HB2  GLN   2           HB2      GLN   2  25.682  41.154  26.949
   17    HB3  GLN   2           HB1      GLN   2  25.713  42.868  26.843
   18    HG2  GLN   2           HG2      GLN   2  23.231  41.198  26.899
   19    HG3  GLN   2           HG1      GLN   2  23.747  42.373  27.976
   20   HE21  GLN   2          1HE2      GLN   2  21.106  42.459  26.652
   21   HE22  GLN   2          2HE2      GLN   2  21.033  43.850  25.809
   22    HA   DPR   3           HA       DPR   3  29.045  43.218  25.323
   23    HB2  DPR   3           HB1      DPR   3  29.755  45.273  23.689
   24    HB3  DPR   3           HB2      DPR   3  28.581  45.546  25.055
   25    HG2  DPR   3           HG1      DPR   3  28.150  44.896  22.204
   26    HG3  DPR   3           HG2      DPR   3  27.311  46.266  23.064
   27    HD2  DPR   3           HD1      DPR   3  25.805  44.087  23.072
   28    HD3  DPR   3           HD2      DPR   3  26.167  44.801  24.603
   29    H    DGN   4           H        DGN   4  28.223  42.079  22.129
   30    HA   DGN   4           HA       DGN   4  31.088  41.992  21.306
   31    HB2  DGN   4           HB1      DGN   4  28.498  41.475  19.831
   32    HB3  DGN   4           HB2      DGN   4  29.884  40.748  19.272
   33    HG2  DGN   4           HG1      DGN   4  29.595  42.695  17.999
   34    HG3  DGN   4           HG2      DGN   4  30.986  42.937  19.090
   35   HE21  DGN   4          1HE2      DGN   4  27.404  43.217  19.106
   36   HE22  DGN   4          2HE2      DGN   4  27.323  44.941  19.619
   37    H    ARG   5           H        ARG   5  29.614  40.337  23.574
   38    HA   ARG   5           HA       ARG   5  30.742  37.756  22.622
   39    HB2  ARG   5           HB2      ARG   5  30.088  39.094  25.256
   40    HB3  ARG   5           HB1      ARG   5  30.406  37.280  25.197
   41    HG2  ARG   5           HG2      ARG   5  32.437  37.895  23.788
   42    HG3  ARG   5           HG1      ARG   5  32.250  39.553  24.293
   43    HD2  ARG   5           HD2      ARG   5  32.337  38.854  26.625
   44    HD3  ARG   5           HD1      ARG   5  32.469  37.154  26.035
   45    HE   ARG   5           HE       ARG   5  34.615  37.452  25.202
   46   HH11  ARG   5          1HH1      ARG   5  36.649  37.853  26.083
   47   HH12  ARG   5          2HH1      ARG   5  36.913  39.364  27.045
   48   HH21  ARG   5          1HH2      ARG   5  33.788  40.582  26.685
   49   HH22  ARG   5          2HH2      ARG   5  35.352  40.682  27.502
   50    H    DGL   6           H        DGU   6  29.227  36.700  21.565
   51    HA   DGL   6           HA       DGU   6  27.482  35.164  21.327
   52    HB2  DGL   6           HB1      DGU   6  25.496  36.708  20.576
   53    HB3  DGL   6           HB2      DGU   6  26.948  36.461  19.654
   54    HG2  DGL   6           HG1      DGU   6  27.930  38.692  20.551
   55    HG3  DGL   6           HG2      DGU   6  26.418  38.857  21.366
   56    HA   PRO   7           HA       PRO   7  25.010  33.701  24.264
   57    HB2  PRO   7           HB2      PRO   7  27.243  33.522  26.271
   58    HB3  PRO   7           HB1      PRO   7  26.100  32.242  25.734
   59    HG2  PRO   7           HG2      PRO   7  28.694  32.390  24.744
   60    HG3  PRO   7           HG1      PRO   7  27.309  31.969  23.630
   61    HD2  PRO   7           HD2      PRO   7  28.798  34.532  24.166
   62    HD3  PRO   7           HD1      PRO   7  28.197  33.795  22.612
   63    H    GLN   8           H        GLN   8  26.646  36.637  25.369
   64    HA   GLN   8           HA       GLN   8  24.723  36.904  27.583
   65    HB2  GLN   8           HB2      GLN   8  26.392  39.067  26.218
   66    HB3  GLN   8           HB1      GLN   8  25.782  38.970  27.841
   67    HG2  GLN   8           HG2      GLN   8  27.304  36.977  28.174
   68    HG3  GLN   8           HG1      GLN   8  28.098  37.495  26.692
   69   HE21  GLN   8          1HE2      GLN   8  28.205  40.282  26.714
   70   HE22  GLN   8          2HE2      GLN   8  29.228  40.735  28.041
  Start of MODEL   14
    1    H1   DAR   1           H1       DAR   1  24.685  37.935  24.051
    2    HA   DAR   1           HA       DAR   1  22.036  39.144  24.472
    3    HB2  DAR   1           HB1      DAR   1  22.659  37.754  22.370
    4    HB3  DAR   1           HB2      DAR   1  23.772  38.911  21.883
    5    HG2  DAR   1           HG1      DAR   1  21.857  40.577  21.818
    6    HG3  DAR   1           HG2      DAR   1  20.779  39.210  22.512
    7    HD2  DAR   1           HD1      DAR   1  20.379  39.335  20.139
    8    HD3  DAR   1           HD2      DAR   1  21.054  37.880  20.562
    9    HE   DAR   1           HE       DAR   1  23.254  39.459  19.890
   10   HH11  DAR   1          1HH1      DAR   1  24.297  38.681  18.104
   11   HH12  DAR   1          2HH1      DAR   1  23.289  38.284  16.606
   12   HH21  DAR   1          1HH2      DAR   1  20.261  38.532  18.064
   13   HH22  DAR   1          2HH2      DAR   1  21.193  38.452  16.630
   14    H    GLN   2           H        GLN   2  25.422  40.235  24.183
   15    HA   GLN   2           HA       GLN   2  24.759  42.917  24.463
   16    HB2  GLN   2           HB2      GLN   2  25.559  41.339  27.016
   17    HB3  GLN   2           HB1      GLN   2  25.445  43.071  26.881
   18    HG2  GLN   2           HG2      GLN   2  23.219  40.984  26.708
   19    HG3  GLN   2           HG1      GLN   2  23.691  41.600  28.179
   20   HE21  GLN   2          1HE2      GLN   2  21.056  41.803  27.242
   21   HE22  GLN   2          2HE2      GLN   2  20.627  43.408  26.678
   22    HA   DPR   3           HA       DPR   3  29.049  43.452  25.353
   23    HB2  DPR   3           HB1      DPR   3  29.281  44.990  22.800
   24    HB3  DPR   3           HB2      DPR   3  29.688  45.477  24.398
   25    HG2  DPR   3           HG1      DPR   3  27.566  46.470  23.159
   26    HG3  DPR   3           HG2      DPR   3  27.601  46.219  24.900
   27    HD2  DPR   3           HD1      DPR   3  26.181  44.508  22.957
   28    HD3  DPR   3           HD2      DPR   3  25.870  44.691  24.763
   29    H    DGN   4           H        DGN   4  28.184  42.144  22.177
   30    HA   DGN   4           HA       DGN   4  30.735  41.931  20.930
   31    HB2  DGN   4           HB1      DGN   4  28.080  40.957  20.315
   32    HB3  DGN   4           HB2      DGN   4  29.482  40.663  19.328
   33    HG2  DGN   4           HG1      DGN   4  28.890  42.478  18.208
   34    HG3  DGN   4           HG2      DGN   4  29.998  43.192  19.426
   35   HE21  DGN   4          1HE2      DGN   4  26.436  42.790  18.602
   36   HE22  DGN   4          2HE2      DGN   4  25.990  44.084  19.718
   37    H    ARG   5           H        ARG   5  29.643  40.124  23.591
   38    HA   ARG   5           HA       ARG   5  30.902  37.611  22.659
   39    HB2  ARG   5           HB2      ARG   5  30.000  38.641  25.417
   40    HB3  ARG   5           HB1      ARG   5  30.775  37.087  25.155
   41    HG2  ARG   5           HG2      ARG   5  32.738  38.206  24.198
   42    HG3  ARG   5           HG1      ARG   5  31.884  39.787  24.523
   43    HD2  ARG   5           HD2      ARG   5  32.144  39.471  26.824
   44    HD3  ARG   5           HD1      ARG   5  32.539  37.749  26.698
   45    HE   ARG   5           HE       ARG   5  34.541  39.453  25.382
   46   HH11  ARG   5          1HH1      ARG   5  36.427  40.227  26.501
   47   HH12  ARG   5          2HH1      ARG   5  36.286  40.417  28.237
   48   HH21  ARG   5          1HH2      ARG   5  33.169  39.339  28.595
   49   HH22  ARG   5          2HH2      ARG   5  34.681  39.649  29.397
   50    H    DGL   6           H        DGU   6  29.600  36.327  21.601
   51    HA   DGL   6           HA       DGU   6  27.742  34.934  21.195
   52    HB2  DGL   6           HB1      DGU   6  26.068  36.408  20.247
   53    HB3  DGL   6           HB2      DGU   6  27.708  36.734  19.655
   54    HG2  DGL   6           HG1      DGU   6  27.543  38.868  21.298
   55    HG3  DGL   6           HG2      DGU   6  26.164  38.145  21.838
   56    HA   PRO   7           HA       PRO   7  25.232  33.518  24.104
   57    HB2  PRO   7           HB2      PRO   7  27.321  33.675  26.322
   58    HB3  PRO   7           HB1      PRO   7  26.204  32.297  25.843
   59    HG2  PRO   7           HG2      PRO   7  28.834  32.405  25.121
   60    HG3  PRO   7           HG1      PRO   7  27.552  31.854  23.965
   61    HD2  PRO   7           HD2      PRO   7  28.764  34.713  24.387
   62    HD3  PRO   7           HD1      PRO   7  28.805  33.705  22.950
   63    H    GLN   8           H        GLN   8  26.534  36.499  25.114
   64    HA   GLN   8           HA       GLN   8  24.691  36.844  27.354
   65    HB2  GLN   8           HB2      GLN   8  26.489  38.836  25.945
   66    HB3  GLN   8           HB1      GLN   8  25.682  39.067  27.548
   67    HG2  GLN   8           HG2      GLN   8  27.396  36.919  27.946
   68    HG3  GLN   8           HG1      GLN   8  28.140  37.669  26.472
   69   HE21  GLN   8          1HE2      GLN   8  28.383  40.223  26.525
   70   HE22  GLN   8          2HE2      GLN   8  29.299  40.629  28.008
  Start of MODEL   15
    1    H1   DAR   1           H1       DAR   1  24.596  37.661  23.978
    2    HA   DAR   1           HA       DAR   1  22.129  39.208  24.227
    3    HB2  DAR   1           HB1      DAR   1  22.450  38.096  22.082
    4    HB3  DAR   1           HB2      DAR   1  24.034  38.935  21.878
    5    HG2  DAR   1           HG1      DAR   1  23.011  40.926  21.252
    6    HG3  DAR   1           HG2      DAR   1  21.500  40.461  22.035
    7    HD2  DAR   1           HD1      DAR   1  21.222  40.420  19.612
    8    HD3  DAR   1           HD2      DAR   1  21.311  38.733  20.183
    9    HE   DAR   1           HE       DAR   1  23.893  39.479  19.448
   10   HH11  DAR   1          1HH1      DAR   1  24.877  38.928  17.629
   11   HH12  DAR   1          2HH1      DAR   1  24.144  38.890  16.109
   12   HH21  DAR   1          1HH2      DAR   1  20.887  39.473  17.375
   13   HH22  DAR   1          2HH2      DAR   1  21.930  39.041  16.060
   14    H    GLN   2           H        GLN   2  25.483  39.865  24.564
   15    HA   GLN   2           HA       GLN   2  24.982  42.741  24.549
   16    HB2  GLN   2           HB2      GLN   2  25.550  41.094  27.003
   17    HB3  GLN   2           HB1      GLN   2  25.856  42.832  26.941
   18    HG2  GLN   2           HG2      GLN   2  23.108  41.691  26.378
   19    HG3  GLN   2           HG1      GLN   2  23.599  42.357  27.954
   20   HE21  GLN   2          1HE2      GLN   2  21.523  43.285  26.131
   21   HE22  GLN   2          2HE2      GLN   2  21.865  44.940  25.760
   22    HA   DPR   3           HA       DPR   3  29.349  43.250  25.307
   23    HB2  DPR   3           HB1      DPR   3  29.784  45.412  23.663
   24    HB3  DPR   3           HB2      DPR   3  29.059  45.412  25.270
   25    HG2  DPR   3           HG1      DPR   3  27.783  45.325  22.462
   26    HG3  DPR   3           HG2      DPR   3  27.301  46.411  23.795
   27    HD2  DPR   3           HD1      DPR   3  25.873  44.136  23.413
   28    HD3  DPR   3           HD2      DPR   3  26.315  44.769  25.015
   29    H    DGN   4           H        DGN   4  28.036  42.031  22.339
   30    HA   DGN   4           HA       DGN   4  30.704  41.942  21.127
   31    HB2  DGN   4           HB1      DGN   4  28.053  41.511  20.016
   32    HB3  DGN   4           HB2      DGN   4  29.438  40.912  19.141
   33    HG2  DGN   4           HG1      DGN   4  29.014  42.940  18.012
   34    HG3  DGN   4           HG2      DGN   4  30.493  43.101  18.868
   35   HE21  DGN   4          1HE2      DGN   4  26.971  43.758  19.198
   36   HE22  DGN   4          2HE2      DGN   4  27.217  45.271  20.083
   37    H    ARG   5           H        ARG   5  29.211  40.274  23.483
   38    HA   ARG   5           HA       ARG   5  30.686  37.843  22.628
   39    HB2  ARG   5           HB2      ARG   5  29.749  38.854  25.351
   40    HB3  ARG   5           HB1      ARG   5  30.653  37.382  25.049
   41    HG2  ARG   5           HG2      ARG   5  32.619  38.397  24.381
   42    HG3  ARG   5           HG1      ARG   5  31.766  39.959  24.178
   43    HD2  ARG   5           HD2      ARG   5  31.305  39.950  26.543
   44    HD3  ARG   5           HD1      ARG   5  32.238  38.581  26.951
   45    HE   ARG   5           HE       ARG   5  32.986  41.249  27.063
   46   HH11  ARG   5          1HH1      ARG   5  35.088  41.962  27.138
   47   HH12  ARG   5          2HH1      ARG   5  36.361  41.133  26.207
   48   HH21  ARG   5          1HH2      ARG   5  34.474  38.423  25.420
   49   HH22  ARG   5          2HH2      ARG   5  36.078  39.127  25.504
   50    H    DGL   6           H        DGU   6  29.458  36.452  21.722
   51    HA   DGL   6           HA       DGU   6  27.860  34.812  21.376
   52    HB2  DGL   6           HB1      DGU   6  26.020  36.073  20.200
   53    HB3  DGL   6           HB2      DGU   6  27.669  36.249  19.672
   54    HG2  DGL   6           HG1      DGU   6  27.794  38.587  20.808
   55    HG3  DGL   6           HG2      DGU   6  26.329  38.070  21.523
   56    HA   PRO   7           HA       PRO   7  25.397  33.355  24.320
   57    HB2  PRO   7           HB2      PRO   7  27.372  33.947  26.462
   58    HB3  PRO   7           HB1      PRO   7  26.422  32.408  26.100
   59    HG2  PRO   7           HG2      PRO   7  29.054  32.685  25.283
   60    HG3  PRO   7           HG1      PRO   7  27.808  31.949  24.107
   61    HD2  PRO   7           HD2      PRO   7  28.935  34.689  24.453
   62    HD3  PRO   7           HD1      PRO   7  28.539  33.661  22.984
   63    H    GLN   8           H        GLN   8  26.371  36.561  25.065
   64    HA   GLN   8           HA       GLN   8  24.529  36.640  27.283
   65    HB2  GLN   8           HB2      GLN   8  26.026  39.025  26.050
   66    HB3  GLN   8           HB1      GLN   8  25.375  38.929  27.669
   67    HG2  GLN   8           HG2      GLN   8  27.154  37.045  28.028
   68    HG3  GLN   8           HG1      GLN   8  27.902  37.675  26.552
   69   HE21  GLN   8          1HE2      GLN   8  28.027  40.252  26.804
   70   HE22  GLN   8          2HE2      GLN   8  28.578  40.867  28.364
  Start of MODEL   16
    1    H1   DAR   1           H1       DAR   1  24.662  37.561  24.277
    2    HA   DAR   1           HA       DAR   1  22.135  38.870  24.558
    3    HB2  DAR   1           HB1      DAR   1  23.102  37.397  22.707
    4    HB3  DAR   1           HB2      DAR   1  23.841  38.912  22.131
    5    HG2  DAR   1           HG1      DAR   1  21.723  39.885  21.715
    6    HG3  DAR   1           HG2      DAR   1  20.896  38.763  22.792
    7    HD2  DAR   1           HD1      DAR   1  20.579  38.591  20.287
    8    HD3  DAR   1           HD2      DAR   1  21.180  37.049  21.082
    9    HE   DAR   1           HE       DAR   1  23.322  38.583  19.851
   10   HH11  DAR   1          1HH1      DAR   1  24.324  37.762  18.325
   11   HH12  DAR   1          2HH1      DAR   1  23.640  36.631  17.109
   12   HH21  DAR   1          1HH2      DAR   1  20.559  36.501  18.949
   13   HH22  DAR   1          2HH2      DAR   1  21.460  35.997  17.527
   14    H    GLN   2           H        GLN   2  25.299  40.092  24.528
   15    HA   GLN   2           HA       GLN   2  24.639  42.824  23.943
   16    HB2  GLN   2           HB2      GLN   2  25.822  42.024  26.650
   17    HB3  GLN   2           HB1      GLN   2  25.673  43.656  26.077
   18    HG2  GLN   2           HG2      GLN   2  23.243  41.923  26.753
   19    HG3  GLN   2           HG1      GLN   2  23.832  43.357  27.536
   20   HE21  GLN   2          1HE2      GLN   2  21.200  43.021  26.762
   21   HE22  GLN   2          2HE2      GLN   2  20.922  44.164  25.466
   22    HA   DPR   3           HA       DPR   3  28.729  43.121  25.399
   23    HB2  DPR   3           HB1      DPR   3  29.293  45.356  23.342
   24    HB3  DPR   3           HB2      DPR   3  29.564  45.372  25.083
   25    HG2  DPR   3           HG1      DPR   3  27.479  46.529  24.095
   26    HG3  DPR   3           HG2      DPR   3  27.294  45.502  25.612
   27    HD2  DPR   3           HD1      DPR   3  26.605  44.783  22.672
   28    HD3  DPR   3           HD2      DPR   3  25.694  44.676  24.171
   29    H    DGN   4           H        DGN   4  28.407  42.449  22.201
   30    HA   DGN   4           HA       DGN   4  31.020  41.944  21.219
   31    HB2  DGN   4           HB1      DGN   4  28.365  40.703  20.364
   32    HB3  DGN   4           HB2      DGN   4  29.867  40.428  19.556
   33    HG2  DGN   4           HG1      DGN   4  28.662  41.954  18.193
   34    HG3  DGN   4           HG2      DGN   4  29.917  42.902  19.008
   35   HE21  DGN   4          1HE2      DGN   4  26.556  42.126  20.132
   36   HE22  DGN   4          2HE2      DGN   4  26.239  43.872  20.244
   37    H    ARG   5           H        ARG   5  28.931  39.912  23.178
   38    HA   ARG   5           HA       ARG   5  30.657  37.539  22.860
   39    HB2  ARG   5           HB2      ARG   5  31.226  38.744  24.967
   40    HB3  ARG   5           HB1      ARG   5  29.585  38.826  25.450
   41    HG2  ARG   5           HG2      ARG   5  29.374  36.354  25.683
   42    HG3  ARG   5           HG1      ARG   5  31.041  36.182  24.957
   43    HD2  ARG   5           HD2      ARG   5  30.604  37.490  27.635
   44    HD3  ARG   5           HD1      ARG   5  30.659  35.820  27.352
   45    HE   ARG   5           HE       ARG   5  32.796  37.791  26.828
   46   HH11  ARG   5          1HH1      ARG   5  34.996  36.838  26.972
   47   HH12  ARG   5          2HH1      ARG   5  35.179  35.159  26.489
   48   HH21  ARG   5          1HH2      ARG   5  31.869  34.324  26.472
   49   HH22  ARG   5          2HH2      ARG   5  33.488  33.792  26.465
   50    H    DGL   6           H        DGU   6  29.395  36.365  21.842
   51    HA   DGL   6           HA       DGU   6  27.596  35.255  20.952
   52    HB2  DGL   6           HB1      DGU   6  25.621  36.724  20.428
   53    HB3  DGL   6           HB2      DGU   6  27.157  37.150  19.775
   54    HG2  DGL   6           HG1      DGU   6  27.529  38.858  21.336
   55    HG3  DGL   6           HG2      DGU   6  25.973  38.641  22.197
   56    HA   PRO   7           HA       PRO   7  25.158  33.492  24.077
   57    HB2  PRO   7           HB2      PRO   7  27.183  33.601  26.326
   58    HB3  PRO   7           HB1      PRO   7  26.157  32.374  25.815
   59    HG2  PRO   7           HG2      PRO   7  28.841  32.411  24.865
   60    HG3  PRO   7           HG1      PRO   7  27.509  31.936  23.777
   61    HD2  PRO   7           HD2      PRO   7  28.704  34.719  24.243
   62    HD3  PRO   7           HD1      PRO   7  28.482  33.791  22.705
   63    H    GLN   8           H        GLN   8  26.358  36.591  24.905
   64    HA   GLN   8           HA       GLN   8  25.129  36.823  27.619
   65    HB2  GLN   8           HB2      GLN   8  27.430  37.561  27.043
   66    HB3  GLN   8           HB1      GLN   8  26.706  38.690  25.940
   67    HG2  GLN   8           HG2      GLN   8  25.860  40.006  27.842
   68    HG3  GLN   8           HG1      GLN   8  26.439  38.756  28.905
   69   HE21  GLN   8          1HE2      GLN   8  27.930  40.543  26.024
   70   HE22  GLN   8          2HE2      GLN   8  29.419  40.880  26.794
  Start of MODEL   17
    1    H1   DAR   1           H1       DAR   1  24.856  37.588  24.002
    2    HA   DAR   1           HA       DAR   1  22.406  39.057  24.390
    3    HB2  DAR   1           HB1      DAR   1  22.999  37.524  22.588
    4    HB3  DAR   1           HB2      DAR   1  24.158  38.495  21.903
    5    HG2  DAR   1           HG1      DAR   1  22.386  40.262  21.456
    6    HG3  DAR   1           HG2      DAR   1  21.147  39.279  22.346
    7    HD2  DAR   1           HD1      DAR   1  20.777  38.585  20.069
    8    HD3  DAR   1           HD2      DAR   1  21.738  37.404  20.842
    9    HE   DAR   1           HE       DAR   1  23.574  39.243  19.660
   10   HH11  DAR   1          1HH1      DAR   1  24.581  38.686  17.907
   11   HH12  DAR   1          2HH1      DAR   1  23.879  37.768  16.596
   12   HH21  DAR   1          1HH2      DAR   1  20.920  37.324  18.390
   13   HH22  DAR   1          2HH2      DAR   1  21.523  37.466  16.707
   14    H    GLN   2           H        GLN   2  25.695  40.111  24.376
   15    HA   GLN   2           HA       GLN   2  24.922  42.853  24.378
   16    HB2  GLN   2           HB2      GLN   2  25.966  41.522  27.008
   17    HB3  GLN   2           HB1      GLN   2  25.677  43.232  26.776
   18    HG2  GLN   2           HG2      GLN   2  23.442  41.160  26.787
   19    HG3  GLN   2           HG1      GLN   2  23.909  41.999  28.203
   20   HE21  GLN   2          1HE2      GLN   2  22.305  42.461  25.123
   21   HE22  GLN   2          2HE2      GLN   2  21.781  44.103  25.503
   22    HA   DPR   3           HA       DPR   3  29.478  43.232  24.956
   23    HB2  DPR   3           HB1      DPR   3  29.821  45.542  23.446
   24    HB3  DPR   3           HB2      DPR   3  29.136  45.544  25.126
   25    HG2  DPR   3           HG1      DPR   3  27.642  45.594  22.465
   26    HG3  DPR   3           HG2      DPR   3  27.476  46.636  24.001
   27    HD2  DPR   3           HD1      DPR   3  25.877  44.520  23.436
   28    HD3  DPR   3           HD2      DPR   3  26.482  45.017  25.147
   29    H    DGN   4           H        DGN   4  28.138  41.899  22.331
   30    HA   DGN   4           HA       DGN   4  30.779  41.886  20.994
   31    HB2  DGN   4           HB1      DGN   4  28.027  41.319  20.068
   32    HB3  DGN   4           HB2      DGN   4  29.444  40.570  19.291
   33    HG2  DGN   4           HG1      DGN   4  28.699  42.374  17.948
   34    HG3  DGN   4           HG2      DGN   4  30.246  42.922  18.557
   35   HE21  DGN   4          1HE2      DGN   4  26.779  43.714  19.013
   36   HE22  DGN   4          2HE2      DGN   4  27.239  45.220  19.753
   37    H    ARG   5           H        ARG   5  28.905  40.241  23.453
   38    HA   ARG   5           HA       ARG   5  30.604  37.938  22.953
   39    HB2  ARG   5           HB2      ARG   5  29.592  39.355  25.450
   40    HB3  ARG   5           HB1      ARG   5  30.365  37.757  25.544
   41    HG2  ARG   5           HG2      ARG   5  32.319  38.460  24.368
   42    HG3  ARG   5           HG1      ARG   5  31.703  40.137  24.291
   43    HD2  ARG   5           HD2      ARG   5  31.952  38.661  26.865
   44    HD3  ARG   5           HD1      ARG   5  33.353  39.533  26.330
   45    HE   ARG   5           HE       ARG   5  31.070  40.632  27.506
   46   HH11  ARG   5          1HH1      ARG   5  31.249  42.830  28.096
   47   HH12  ARG   5          2HH1      ARG   5  32.003  44.029  27.020
   48   HH21  ARG   5          1HH2      ARG   5  33.461  41.666  24.987
   49   HH22  ARG   5          2HH2      ARG   5  33.058  43.303  25.191
   50    H    DGL   6           H        DGU   6  29.540  36.507  22.054
   51    HA   DGL   6           HA       DGU   6  27.796  35.106  21.361
   52    HB2  DGL   6           HB1      DGU   6  26.006  36.585  20.400
   53    HB3  DGL   6           HB2      DGU   6  27.734  36.791  19.954
   54    HG2  DGL   6           HG1      DGU   6  27.734  38.904  21.122
   55    HG3  DGL   6           HG2      DGU   6  26.205  38.629  21.924
   56    HA   PRO   7           HA       PRO   7  25.089  33.417  23.973
   57    HB2  PRO   7           HB2      PRO   7  27.073  33.294  26.220
   58    HB3  PRO   7           HB1      PRO   7  26.167  31.927  25.583
   59    HG2  PRO   7           HG2      PRO   7  28.756  32.250  25.177
   60    HG3  PRO   7           HG1      PRO   7  27.800  31.871  23.662
   61    HD2  PRO   7           HD2      PRO   7  28.673  34.583  24.608
   62    HD3  PRO   7           HD1      PRO   7  28.640  33.939  22.907
   63    H    GLN   8           H        GLN   8  26.590  36.301  25.484
   64    HA   GLN   8           HA       GLN   8  24.300  36.502  27.389
   65    HB2  GLN   8           HB2      GLN   8  26.601  38.278  26.849
   66    HB3  GLN   8           HB1      GLN   8  25.414  38.330  28.162
   67    HG2  GLN   8           HG2      GLN   8  26.195  36.396  29.065
   68    HG3  GLN   8           HG1      GLN   8  27.234  35.904  27.684
   69   HE21  GLN   8          1HE2      GLN   8  28.728  38.387  27.338
   70   HE22  GLN   8          2HE2      GLN   8  29.918  38.234  28.666
  Start of MODEL   18
    1    H1   DAR   1           H1       DAR   1  24.523  37.386  24.088
    2    HA   DAR   1           HA       DAR   1  22.367  39.284  24.440
    3    HB2  DAR   1           HB1      DAR   1  22.656  37.674  22.523
    4    HB3  DAR   1           HB2      DAR   1  23.947  38.722  21.978
    5    HG2  DAR   1           HG1      DAR   1  22.510  40.702  21.904
    6    HG3  DAR   1           HG2      DAR   1  21.129  39.853  22.516
    7    HD2  DAR   1           HD1      DAR   1  20.770  40.050  20.298
    8    HD3  DAR   1           HD2      DAR   1  21.042  38.362  20.509
    9    HE   DAR   1           HE       DAR   1  23.563  39.487  19.890
   10   HH11  DAR   1          1HH1      DAR   1  24.357  39.484  17.614
   11   HH12  DAR   1          2HH1      DAR   1  23.157  40.008  16.433
   12   HH21  DAR   1          1HH2      DAR   1  20.450  39.628  18.216
   13   HH22  DAR   1          2HH2      DAR   1  21.336  39.828  16.671
   14    H    GLN   2           H        GLN   2  25.717  39.796  24.660
   15    HA   GLN   2           HA       GLN   2  25.102  42.666  24.924
   16    HB2  GLN   2           HB2      GLN   2  26.264  40.742  26.919
   17    HB3  GLN   2           HB1      GLN   2  26.485  42.509  27.090
   18    HG2  GLN   2           HG2      GLN   2  24.082  40.667  27.368
   19    HG3  GLN   2           HG1      GLN   2  24.785  41.844  28.495
   20   HE21  GLN   2          1HE2      GLN   2  21.841  41.210  27.633
   21   HE22  GLN   2          2HE2      GLN   2  21.441  42.894  27.357
   22    HA   DPR   3           HA       DPR   3  29.383  43.656  24.778
   23    HB2  DPR   3           HB1      DPR   3  28.588  45.488  22.459
   24    HB3  DPR   3           HB2      DPR   3  29.643  45.813  23.806
   25    HG2  DPR   3           HG1      DPR   3  27.107  46.632  23.928
   26    HG3  DPR   3           HG2      DPR   3  27.780  46.024  25.388
   27    HD2  DPR   3           HD1      DPR   3  25.852  44.548  23.491
   28    HD3  DPR   3           HD2      DPR   3  26.001  44.401  25.161
   29    H    DGN   4           H        DGN   4  28.088  42.248  22.044
   30    HA   DGN   4           HA       DGN   4  30.818  41.886  20.831
   31    HB2  DGN   4           HB1      DGN   4  28.008  41.335  19.841
   32    HB3  DGN   4           HB2      DGN   4  29.505  40.467  19.260
   33    HG2  DGN   4           HG1      DGN   4  28.799  42.426  17.874
   34    HG3  DGN   4           HG2      DGN   4  30.409  42.726  18.722
   35   HE21  DGN   4          1HE2      DGN   4  26.841  43.439  19.012
   36   HE22  DGN   4          2HE2      DGN   4  27.117  44.910  19.938
   37    H    ARG   5           H        ARG   5  29.010  40.477  23.261
   38    HA   ARG   5           HA       ARG   5  30.717  38.040  23.314
   39    HB2  ARG   5           HB2      ARG   5  29.138  39.373  25.482
   40    HB3  ARG   5           HB1      ARG   5  30.024  37.920  25.673
   41    HG2  ARG   5           HG2      ARG   5  32.123  38.754  25.435
   42    HG3  ARG   5           HG1      ARG   5  31.474  40.469  25.081
   43    HD2  ARG   5           HD2      ARG   5  31.506  38.660  27.450
   44    HD3  ARG   5           HD1      ARG   5  32.349  40.325  27.270
   45    HE   ARG   5           HE       ARG   5  29.608  39.940  28.137
   46   HH11  ARG   5          1HH1      ARG   5  28.210  41.456  28.335
   47   HH12  ARG   5          2HH1      ARG   5  28.643  43.128  27.942
   48   HH21  ARG   5          1HH2      ARG   5  31.798  42.446  26.787
   49   HH22  ARG   5          2HH2      ARG   5  30.431  43.580  26.948
   50    H    DGL   6           H        DGU   6  29.511  36.855  21.899
   51    HA   DGL   6           HA       DGU   6  28.034  35.200  21.355
   52    HB2  DGL   6           HB1      DGU   6  26.036  36.289  20.363
   53    HB3  DGL   6           HB2      DGU   6  27.592  36.798  19.852
   54    HG2  DGL   6           HG1      DGU   6  27.603  38.956  20.903
   55    HG3  DGL   6           HG2      DGU   6  26.199  38.544  21.838
   56    HA   PRO   7           HA       PRO   7  25.100  33.478  23.796
   57    HB2  PRO   7           HB2      PRO   7  26.773  32.951  26.173
   58    HB3  PRO   7           HB1      PRO   7  25.987  31.765  24.977
   59    HG2  PRO   7           HG2      PRO   7  28.662  32.208  25.078
   60    HG3  PRO   7           HG1      PRO   7  27.764  31.892  23.537
   61    HD2  PRO   7           HD2      PRO   7  28.575  34.555  24.756
   62    HD3  PRO   7           HD1      PRO   7  28.788  33.933  23.045
   63    H    GLN   8           H        GLN   8  25.869  36.376  25.144
   64    HA   GLN   8           HA       GLN   8  23.876  36.194  27.284
   65    HB2  GLN   8           HB2      GLN   8  26.335  37.980  26.980
   66    HB3  GLN   8           HB1      GLN   8  25.060  38.284  28.131
   67    HG2  GLN   8           HG2      GLN   8  26.663  37.327  29.415
   68    HG3  GLN   8           HG1      GLN   8  25.527  35.941  29.073
   69   HE21  GLN   8          1HE2      GLN   8  28.081  37.366  27.001
   70   HE22  GLN   8          2HE2      GLN   8  29.150  35.946  27.222
  Start of MODEL   19
    1    H1   DAR   1           H1       DAR   1  24.813  37.372  24.263
    2    HA   DAR   1           HA       DAR   1  22.373  38.892  24.501
    3    HB2  DAR   1           HB1      DAR   1  22.790  37.242  22.686
    4    HB3  DAR   1           HB2      DAR   1  23.973  38.314  22.013
    5    HG2  DAR   1           HG1      DAR   1  22.338  39.991  21.589
    6    HG3  DAR   1           HG2      DAR   1  21.040  39.237  22.454
    7    HD2  DAR   1           HD1      DAR   1  20.636  38.624  20.108
    8    HD3  DAR   1           HD2      DAR   1  21.269  37.177  20.883
    9    HE   DAR   1           HE       DAR   1  23.379  38.735  19.744
   10   HH11  DAR   1          1HH1      DAR   1  24.599  37.841  18.103
   11   HH12  DAR   1          2HH1      DAR   1  23.835  36.713  17.073
   12   HH21  DAR   1          1HH2      DAR   1  20.810  36.463  18.862
   13   HH22  DAR   1          2HH2      DAR   1  21.662  35.875  17.512
   14    H    GLN   2           H        GLN   2  25.702  39.947  24.543
   15    HA   GLN   2           HA       GLN   2  25.035  42.626  23.965
   16    HB2  GLN   2           HB2      GLN   2  25.618  41.837  26.841
   17    HB3  GLN   2           HB1      GLN   2  25.775  43.377  26.320
   18    HG2  GLN   2           HG2      GLN   2  23.237  41.759  26.398
   19    HG3  GLN   2           HG1      GLN   2  23.615  43.042  27.521
   20   HE21  GLN   2          1HE2      GLN   2  21.151  43.027  25.832
   21   HE22  GLN   2          2HE2      GLN   2  21.291  44.350  24.744
   22    HA   DPR   3           HA       DPR   3  29.204  43.613  25.266
   23    HB2  DPR   3           HB1      DPR   3  29.763  45.825  23.884
   24    HB3  DPR   3           HB2      DPR   3  28.620  45.720  25.161
   25    HG2  DPR   3           HG1      DPR   3  27.966  45.436  22.221
   26    HG3  DPR   3           HG2      DPR   3  27.300  46.583  23.421
   27    HD2  DPR   3           HD1      DPR   3  26.281  44.230  22.632
   28    HD3  DPR   3           HD2      DPR   3  26.025  44.783  24.357
   29    H    DGN   4           H        DGN   4  28.405  42.437  21.986
   30    HA   DGN   4           HA       DGN   4  31.050  42.009  21.123
   31    HB2  DGN   4           HB1      DGN   4  28.346  41.122  20.232
   32    HB3  DGN   4           HB2      DGN   4  29.773  40.582  19.351
   33    HG2  DGN   4           HG1      DGN   4  28.990  42.545  18.128
   34    HG3  DGN   4           HG2      DGN   4  30.544  42.809  18.938
   35   HE21  DGN   4          1HE2      DGN   4  26.905  43.606  19.351
   36   HE22  DGN   4          2HE2      DGN   4  27.244  44.981  20.347
   37    H    ARG   5           H        ARG   5  28.763  40.237  23.169
   38    HA   ARG   5           HA       ARG   5  30.431  37.771  22.925
   39    HB2  ARG   5           HB2      ARG   5  29.380  39.180  25.521
   40    HB3  ARG   5           HB1      ARG   5  30.041  37.549  25.312
   41    HG2  ARG   5           HG2      ARG   5  32.148  38.251  24.732
   42    HG3  ARG   5           HG1      ARG   5  31.728  39.849  24.336
   43    HD2  ARG   5           HD2      ARG   5  31.786  38.631  27.160
   44    HD3  ARG   5           HD1      ARG   5  32.861  39.930  26.397
   45    HE   ARG   5           HE       ARG   5  30.083  40.446  27.088
   46   HH11  ARG   5          1HH1      ARG   5  29.702  42.461  28.008
   47   HH12  ARG   5          2HH1      ARG   5  31.089  43.540  28.243
   48   HH21  ARG   5          1HH2      ARG   5  33.599  41.515  27.394
   49   HH22  ARG   5          2HH2      ARG   5  33.031  42.949  28.121
   50    H    DGL   6           H        DGU   6  29.208  36.644  21.691
   51    HA   DGL   6           HA       DGU   6  27.498  35.245  21.133
   52    HB2  DGL   6           HB1      DGU   6  25.414  36.930  20.708
   53    HB3  DGL   6           HB2      DGU   6  26.880  36.653  19.692
   54    HG2  DGL   6           HG1      DGU   6  27.770  38.714  20.459
   55    HG3  DGL   6           HG2      DGU   6  26.454  38.834  21.726
   56    HA   PRO   7           HA       PRO   7  25.270  33.317  24.071
   57    HB2  PRO   7           HB2      PRO   7  27.375  33.443  26.160
   58    HB3  PRO   7           HB1      PRO   7  26.437  32.074  25.555
   59    HG2  PRO   7           HG2      PRO   7  28.950  32.327  24.656
   60    HG3  PRO   7           HG1      PRO   7  27.635  31.830  23.628
   61    HD2  PRO   7           HD2      PRO   7  28.739  34.682  24.072
   62    HD3  PRO   7           HD1      PRO   7  28.473  33.930  22.596
   63    H    GLN   8           H        GLN   8  26.452  36.295  25.510
   64    HA   GLN   8           HA       GLN   8  24.327  36.381  27.434
   65    HB2  GLN   8           HB2      GLN   8  26.693  38.350  27.132
   66    HB3  GLN   8           HB1      GLN   8  25.397  38.393  28.337
   67    HG2  GLN   8           HG2      GLN   8  27.142  37.426  29.552
   68    HG3  GLN   8           HG1      GLN   8  26.045  36.212  29.236
   69   HE21  GLN   8          1HE2      GLN   8  28.762  37.891  27.731
   70   HE22  GLN   8          2HE2      GLN   8  29.724  36.422  27.321
  Start of MODEL   20
    1    H1   DAR   1           H1       DAR   1  24.937  37.292  24.080
    2    HA   DAR   1           HA       DAR   1  22.719  39.039  23.817
    3    HB2  DAR   1           HB1      DAR   1  23.363  37.530  22.188
    4    HB3  DAR   1           HB2      DAR   1  24.874  38.147  21.882
    5    HG2  DAR   1           HG1      DAR   1  23.758  40.102  20.789
    6    HG3  DAR   1           HG2      DAR   1  22.239  39.792  21.602
    7    HD2  DAR   1           HD1      DAR   1  22.189  39.164  19.188
    8    HD3  DAR   1           HD2      DAR   1  22.187  37.632  20.106
    9    HE   DAR   1           HE       DAR   1  24.366  37.234  19.566
   10   HH11  DAR   1          1HH1      DAR   1  25.981  37.355  17.742
   11   HH12  DAR   1          2HH1      DAR   1  26.200  38.972  17.079
   12   HH21  DAR   1          1HH2      DAR   1  23.515  40.585  18.224
   13   HH22  DAR   1          2HH2      DAR   1  24.771  40.416  17.053
   14    H    GLN   2           H        GLN   2  25.961  39.913  24.652
   15    HA   GLN   2           HA       GLN   2  25.111  42.703  24.499
   16    HB2  GLN   2           HB2      GLN   2  25.614  41.297  27.054
   17    HB3  GLN   2           HB1      GLN   2  25.748  43.038  26.864
   18    HG2  GLN   2           HG2      GLN   2  23.423  41.155  26.435
   19    HG3  GLN   2           HG1      GLN   2  23.535  42.305  27.759
   20   HE21  GLN   2          1HE2      GLN   2  23.981  44.675  26.470
   21   HE22  GLN   2          2HE2      GLN   2  22.543  45.047  25.427
   22    HA   DPR   3           HA       DPR   3  29.462  43.673  25.107
   23    HB2  DPR   3           HB1      DPR   3  28.854  45.390  22.704
   24    HB3  DPR   3           HB2      DPR   3  29.834  45.924  24.082
   25    HG2  DPR   3           HG1      DPR   3  27.359  46.706  23.661
   26    HG3  DPR   3           HG2      DPR   3  27.635  46.150  25.336
   27    HD2  DPR   3           HD1      DPR   3  26.436  44.694  23.087
   28    HD3  DPR   3           HD2      DPR   3  25.777  44.792  24.766
   29    H    DGN   4           H        DGN   4  27.827  42.463  22.372
   30    HA   DGN   4           HA       DGN   4  30.158  42.102  20.682
   31    HB2  DGN   4           HB1      DGN   4  27.795  42.352  19.986
   32    HB3  DGN   4           HB2      DGN   4  27.505  40.663  20.639
   33    HG2  DGN   4           HG1      DGN   4  27.841  40.451  18.215
   34    HG3  DGN   4           HG2      DGN   4  29.236  39.882  19.154
   35   HE21  DGN   4          1HE2      DGN   4  28.029  42.953  17.631
   36   HE22  DGN   4          2HE2      DGN   4  29.405  43.439  16.864
   37    H    ARG   5           H        ARG   5  28.627  40.313  23.406
   38    HA   ARG   5           HA       ARG   5  30.578  38.108  22.978
   39    HB2  ARG   5           HB2      ARG   5  29.320  39.271  25.472
   40    HB3  ARG   5           HB1      ARG   5  29.974  37.612  25.339
   41    HG2  ARG   5           HG2      ARG   5  31.786  38.929  26.214
   42    HG3  ARG   5           HG1      ARG   5  32.154  38.323  24.628
   43    HD2  ARG   5           HD2      ARG   5  32.210  40.491  23.737
   44    HD3  ARG   5           HD1      ARG   5  31.105  41.170  24.799
   45    HE   ARG   5           HE       ARG   5  33.439  40.390  26.282
   46   HH11  ARG   5          1HH1      ARG   5  34.656  41.894  27.151
   47   HH12  ARG   5          2HH1      ARG   5  35.216  43.295  26.269
   48   HH21  ARG   5          1HH2      ARG   5  32.801  42.754  23.720
   49   HH22  ARG   5          2HH2      ARG   5  33.845  43.835  24.524
   50    H    DGL   6           H        DGU   6  29.619  36.483  22.368
   51    HA   DGL   6           HA       DGU   6  28.183  34.848  21.687
   52    HB2  DGL   6           HB1      DGU   6  27.067  37.641  21.010
   53    HB3  DGL   6           HB2      DGU   6  26.389  36.154  20.329
   54    HG2  DGL   6           HG1      DGU   6  29.325  36.737  20.063
   55    HG3  DGL   6           HG2      DGU   6  28.339  37.827  19.175
   56    HA   PRO   7           HA       PRO   7  24.812  33.487  23.829
   57    HB2  PRO   7           HB2      PRO   7  25.891  33.047  26.498
   58    HB3  PRO   7           HB1      PRO   7  25.525  31.931  25.238
   59    HG2  PRO   7           HG2      PRO   7  28.281  32.799  25.927
   60    HG3  PRO   7           HG1      PRO   7  27.738  31.839  24.444
   61    HD2  PRO   7           HD2      PRO   7  28.292  34.693  24.957
   62    HD3  PRO   7           HD1      PRO   7  28.503  33.700  23.461
   63    H    GLN   8           H        GLN   8  26.566  35.730  25.964
   64    HA   GLN   8           HA       GLN   8  24.277  36.718  27.466
   65    HB2  GLN   8           HB2      GLN   8  26.863  37.930  26.512
   66    HB3  GLN   8           HB1      GLN   8  25.808  38.863  27.621
   67    HG2  GLN   8           HG2      GLN   8  27.368  38.092  29.008
   68    HG3  GLN   8           HG1      GLN   8  26.095  36.915  29.231
   69   HE21  GLN   8          1HE2      GLN   8  28.881  37.362  26.971
   70   HE22  GLN   8          2HE2      GLN   8  29.360  35.723  26.913