*HEADER   DNA-BINDING PROTEIN                     29-NOV-95   1SUT    
*TITLE    NMR STUDY OF THE PROLINE REPEAT FROM TUS                    
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: TUS PROLINE REPEAT;                              
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: TUS PROLINE REPEAT DOMAIN, RESIDUES 223 - 244;   
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI                      
*KEYWDS   DNA-BINDING PROTEIN                                         
*EXPDTA   NMR, 10 STRUCTURES                                          
*AUTHOR   D.J.BUTCHER,M.L.NEDVED,T.G.NEISS,G.R.MOE                    
*REVDAT  1   03-APR-96 1SUT    0                                      


!BIOSYM restraint 1
!
#remote_prochiral_center
!
#chiral
!
#distance
1:PRO_1:HA     1:GLN_2:HN       2.960  3.620  1.00  1.00 1000.000
1:GLN_2:HA     1:ASN_3:HN       2.040  2.500  1.00  1.00 1000.000
1:ASN_3:HA     1:ALA_4:HN       3.590  4.390  1.00  1.00 1000.000
1:ALA_4:HA     1:LYS_5:HN       2.250  2.750  1.00  1.00 1000.000
1:LYS+_5:HA    1:LEU+_6:HN      3.420  4.180  1.00  1.00 1000.000
1:LEU_6:HA     1:LYS+_7:HN      3.380  4.130  1.00  1.00 1000.000
1:LYS+_7:HA    1:ILE_8:HN       2.080  2.540  1.00  1.00 1000.000
1:ILE_8:HA     1:LYS+_9:HN      2.200  2.680  1.00  1.00 1000.000
1:LYS+_9:HA    1:ARG+_10:HN     2.100  2.560  1.00  1.00 1000.000
1:PRO_11:HA    1:VAL_12:HN      3.320  4.060  1.00  1.00 1000.000
1:VAL_12:HA    1:LYS+_13:HN     2.030  2.490  1.00  1.00 1000.000
1:LYS+_13:HA   1:VAL_14:HN      2.200  2.680  1.00  1.00 1000.000
1:VAL_14:HA    1:GLN_15:HN      2.210  2.710  1.00  1.00 1000.000
1:PRO_16:HA    1:ILE_17:HN      2.470  3.010  1.00  1.00 1000.000
1:ILE_17:HA    1:ALA_18:HN      2.080  2.540  1.00  1.00 1000.000
1:ALA_18:HA    1:ARG+_19:HN     2.200  2.680  1.00  1.00 1000.000
1:ARG+_19:HA   1:ARG+_20:HN     2.440  2.980  1.00  1.00 1000.000
1:ARG+_20:HA   1:VAL_21:HN      3.250  3.970  1.00  1.00 1000.000
1:VAL_21:HA    1:TYR_22:HN      2.710  3.310  1.00  1.00 1000.000
1:GLN_2:HN     1:ASN_3:HN       3.270  3.990  1.00  1.00 1000.000
1:ASN_3:HN     1:ALA_4:HN       3.220  3.940  1.00  1.00 1000.000
1:LYS+_9:HN    1:ARG+_10:HN     2.600  3.180  1.00  1.00 1000.000
1:VAL_14:HN    1:GLN_15:HN      2.590  3.170  1.00  1.00 1000.000
1:ARG+_19:HN   1:ARG+_20:HN     2.600  3.180  1.00  1.00 1000.000
1:LEU_6:HN     1:ILE_8:HN       3.010  3.670  1.00  1.00 1000.000
1:GLN_15:HG*   1:VAL_21:HA      4.010  4.900  1.00  1.00 1000.000
1:PRO_16:HD1   1:VAL_21:HB      4.200  5.140  1.00  1.00 1000.000
1:PRO_16:HD2   1:VAL_21:HB      4.310  5.270  1.00  1.00 1000.000
1:PRO_1:HD1    1:LEU_6:HB*      4.220  5.160  1.00  1.00 1000.000
1:PRO_11:HD1   1:LEU_6:HB*      4.220  5.160  1.00  1.00 1000.000
1:LYS+_9:HD*   1:GLN_15:HA      3.710  4.530  1.00  1.00 1000.000
1:ILE_17:HD1   1:TYR_22:HA      3.730  4.550  1.00  1.00 1000.000
1:LEU_6:HD*    1:PRO_11:HA      4.020  4.920  1.00  1.00 1000.000
1:ILE_8:HD1*   1:ASN_3:HB*      4.330  5.290  1.00  1.00 1000.000
1:LYS+_5:HE*   1:LEU_6:HG       3.650  4.460  1.00  1.00 1000.000
1:LYS+_13:HE*  1:ILE_8:HD1      4.130  5.050  1.00  1.00 1000.000
1:VAL_14:HG*   1:ARG+_19:HD     4.370  5.350  1.00  1.00 1000.000
1:PRO_1:HD1    1:GLN_2:HN       4.080  4.980  1.00  1.00 1000.000
1:PRO_1:HD2    1:GLN_2:HN       3.840  4.700  1.00  1.00 1000.000
1:LYS+_7:HN    1:GLN_2:HG*      4.190  5.120  1.00  1.00 1000.000
1:LYS+_9:HD*   1:GLN_15:HN      4.260  5.200  1.00  1.00 1000.000
1:VAL_12:HG*   1:LYS+_7:HN      4.040  4.940  1.00  1.00 1000.000
1:LEU_6:HD*    1:ARG+_10:HE     4.130  5.050  1.00  1.00 1000.000
1:LEU_6:HD*    1:ARG+_10:HH     4.010  4.910  1.00  1.00 1000.000
1:LEU_6:HG     1:ARG+_10:HE     3.750  4.590  1.00  1.00 1000.000
1:LEU_6:HG     1:ARG+_10:HH     4.000  4.880  1.00  1.00 1000.000
1:LYS+_5:HD*   1:ARG+_10:HH     4.030  4.930  1.00  1.00 1000.000
1:LYS+_5:HD*   1:ARG+_10:HE     3.770  4.610  1.00  1.00 1000.000
1:LYS+_9:HA    1:GLN_15:HN      2.170  2.650  1.00  1.00 1000.000
1:LYS+_7:HA    1:GLN_2:HN       3.050  3.730  1.00  1.00 1000.000
1:LYS+_9:HA    1:VAL_14:HN      2.900  3.540  1.00  1.00 1000.000
1:PRO_11:HA    1:LYS+_7:HN      3.200  3.910  1.00  1.00 1000.000
1:VAL_12:HA    1:LYS+_7:HN      2.710  3.310  1.00  1.00 1000.000
1:LYS+_7:HA    1:GLN_2:HB1      1.940  2.370  1.00  1.00 1000.000
1:LYS+_7:HA    1:GLN_2:HB2      1.740  2.120  1.00  1.00 1000.000
1:PRO_11:HA    1:LEU_6:HB*      2.400  2.940  1.00  1.00 1000.000
1:VAL_12:HA    1:LYS+_7:HB1     2.480  3.040  1.00  1.00 1000.000
1:VAL_12:HA    1:LYS+_7:HB2     2.230  2.730  1.00  1.00 1000.000
1:VAL_14:HA    1:LYS+_9:HB1     2.480  3.040  1.00  1.00 1000.000
1:VAL_14:HA    1:LYS+_9:HB2     2.230  2.730  1.00  1.00 1000.000
1:GLN_15:HA    1:LYS+_9:HB1     2.390  2.920  1.00  1.00 1000.000
1:GLN_15:HA    1:ARG+_10:HB     2.390  2.920  1.00  1.00 1000.000
1:PRO_16:HA    1:PRO_11:HB      2.850  3.490  1.00  1.00 1000.000
1:ILE_17:HA    1:PRO_11:HB      2.570  3.140  1.00  1.00 1000.000
1:ILE_17:HA    1:VAL_12:HB      2.570  3.140  1.00  1.00 1000.000
1:ALA_18:HA    1:LYS+_13:HB     2.420  2.960  1.00  1.00 1000.000
1:ALA_18:HA    1:LYS+_13:HB     1.990  2.430  1.00  1.00 1000.000
1:ARG+_19:HA   1:VAL_14:HB      2.530  3.090  1.00  1.00 1000.000
1:ARG+_20:HA   1:GLN_15:HB      2.570  3.140  1.00  1.00 1000.000
1:VAL_21:HA    1:PRO_16:HB      2.750  3.360  1.00  1.00 1000.000
1:TYR_22:HA    1:ILE_17:HB      2.420  2.960  1.00  1.00 1000.000
1:GLN_2:HN     1:PRO_1:HB1      2.520  3.080  1.00  1.00 1000.000
1:ALA_4:HN     1:ASN_3:HB2      3.050  3.730  1.00  1.00 1000.000
1:LEU_6:HN     1:LYS+_5:HB1     2.700  3.300  1.00  1.00 1000.000
1:VAL_12:HN    1:PRO_11:HB      1.880  2.300  1.00  1.00 1000.000
1:ILE_17:HN    1:PRO_16:HB      2.750  3.370  1.00  1.00 1000.000
1:VAL_21:HN    1:ARG+_20:HB     2.210  2.710  1.00  1.00 1000.000
1:VAL_12:HN    1:LYS+_7:HB2     2.950  3.610  1.00  1.00 1000.000
1:LYS+_13:HN   1:LYS+_7:HB2     2.880  3.520  1.00  1.00 1000.000
1:LYS+_13:HN   1:ILE_8:HB       2.880  3.520  1.00  1.00 1000.000
1:VAL_14:HN    1:LYS+_9:HB2     2.910  3.550  1.00  1.00 1000.000
1:ALA_18:HN    1:LYS+_13:HB     2.880  3.520  1.00  1.00 1000.000
1:ARG+_19:HN   1:LYS+_13:HB     2.230  2.730  1.00  1.00 1000.000
1:ARG+_19:HN   1:LYS+_13:HB     2.910  3.550  1.00  1.00 1000.000
1:ARG+_19:HN   1:VAL_14:HB      3.400  4.160  1.00  1.00 1000.000
1:TYR_22:HN    1:PRO_16:HB      2.920  3.560  1.00  1.00 1000.000
!
#mixing_times
2.50000E-02 1.000000E-01 1.500000E-01
!
#3J_dihedral
1:GLN_2:HN   1:GLN_2:N    1:GLN_2:CA   1:GLN_2:HA      8.41   -163.000 -133.000 133.000 163.000 1.00 30.00 30.00 1000.000
1:ASN_3:HN   1:ASN_3:N    1:ASN_3:CA   1:ASN_3:HA      7.16   -152.000 -124.000 124.000 152.000 -25.000 -21.000 21.000 25.000 1.00 30.00 30.00 1000.000
1:ALA_4:HN   1:ALA_4:N    1:ALA_4:CA   1:ALA_4:HA      7.83   -157.000 -129.000 129.000 157.000 -13.000 -11.000 11.000 13.000 1.00 30.00 30.00 1000.000
1:LYS+_5:HN  1:LYS+_5:N   1:LYS+_5:CA  1:LYS+_5:HA     7.38   -154.000 -126.000 126.000 154.000 -22.000 -18.000 18.000 22.000 1.00 30.00 30.00 1000.000
1:LEU_6:HN   1:LEU_6:N    1:LEU_6:CA   1:LEU_6:HA     10.15   -184.000 -150.000 150.000 184.000 1.00 30.00 30.00 1000.000
1:LYS+_7:HN  1:LYS+_7:N   1:LYS+_7:CA  1:LYS+_7:HA    10.49   -197.000 -161.000 161.000 197.000 1.00 30.00 30.00 1000.000
1:ILE_8:HN   1:ILE_8:N    1:ILE_8:CA   1:ILE_8:HA      7.23   -155.000 -127.000 127.000 155.000 -24.000 -20.000 20.000 24.000 1.00 30.00 30.00 1000.000
1:LYS+_9:HN  1:LYS+_9:N   1:LYS+_9:CA  1:LYS+_9:HA     7.79   -156.000 -128.000 128.000 156.000 -14.000 -12.000 12.000 14.000 1.00 30.00 30.00 1000.000
1:ARG+_10:HN 1:ARG+_10:N  1:ARG+_10:CA 1:ARG+_10:HA    7.97   -158.000 -130.000 130.000 158.000 -9.000 -7.000 7.000 9.000 1.00 30.00 30.00 1000.000
1:VAL_12:HN  1:VAL_12:N   1:VAL_12:CA  1:VAL_12:HA     6.35   -145.000 -119.000 119.000 145.000 -35.000 -29.000 29.000 35.000 1.00 30.00 30.00 1000.000
1:LYS+_13:HN 1:LYS+_13:N  1:LYS+_13:CA 1:LYS+_13:HA    7.23   -155.000 -127.000 127.000 155.000 -24.000 -20.000 20.000 24.000 1.00 30.00 30.00 1000.000
1:VAL_14:HN  1:VAL_14:N   1:VAL_14:CA  1:VAL_14:HA     7.11   -174.000 -142.000 142.000 174.000 -25.000 -21.000 21.000 25.000 1.00 30.00 30.00 1000.000
1:GLN_15:HN  1:GLN_15:N   1:GLN_15:CA  1:GLN_15:HA     7.83   -157.000 -129.000 129.000 157.000 -13.000 -11.000 11.000 13.000 1.00 30.00 30.00 1000.000
1:ILE_17:HN  1:ILE_17:N   1:ILE_17:CA  1:ILE_17:HA     6.61   -183.000 -149.000 149.000 183.000 -32.000 -26.000 26.000 32.000 1.00 30.00 30.00 1000.000
1:ALA_18:HN  1:ALA_18:N   1:ALA_18:CA  1:ALA_18:HA     7.23   -155.000 -127.000 127.000 155.000 -24.000 -20.000 20.000 24.000 1.00 30.00 30.00 1000.000
1:ARG+_19:HN 1:ARG+_19:N  1:ARG+_19:CA 1:ARG+_19:HA    7.11   -174.000 -142.000 142.000 174.000 -25.000 -21.000 21.000 25.000 1.00 30.00 30.00 1000.000
1:ARG+_20:HN 1:ARG+_20:N  1:ARG+_20:CA 1:ARG+_20:HA    7.57   -155.000 -127.000 127.000 155.000 -19.000 -15.000 15.000 19.000 1.00 30.00 30.00 1000.000
1:VAL_21:HN  1:VAL_21:N   1:VAL_21:CA  1:VAL_21:HA     8.32   -162.000 -132.000 132.000 162.000 1.00 30.00 30.00 1000.000
1:TYR_22:HN  1:TYR_22:N   1:TYR_22:CA  1:TYR_22:HA     9.15   -171.000 -140.000 140.000 171.000 1.00 30.00 30.00 1000.000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    PRO   1           H        PRO   1  10.464  -0.332  -2.216
    2    HA   PRO   1           HA       PRO   1  11.610   2.339  -2.711
    3   1HB   PRO   1          1HB       PRO   1   8.686   1.452  -3.011
    4   2HB   PRO   1          2HB       PRO   1   9.411   2.945  -3.657
    5   1HG   PRO   1          1HG       PRO   1   9.131   0.637  -5.171
    6   2HG   PRO   1          2HG       PRO   1  10.509   1.745  -5.411
    7   1HD   PRO   1          1HD       PRO   1  10.655  -0.996  -4.373
    8   2HD   PRO   1          2HD       PRO   1  11.969   0.185  -4.640
    9    H    GLN   2           H        GLN   2   8.747   2.752  -1.010
   10    HA   GLN   2           HA       GLN   2  10.350   2.832   1.577
   11   1HB   GLN   2          1HB       GLN   2   9.362   4.993   0.592
   12   2HB   GLN   2          2HB       GLN   2   7.759   4.328   0.878
   13   1HG   GLN   2          1HG       GLN   2   8.317   4.223   3.361
   14   2HG   GLN   2          2HG       GLN   2   9.897   4.921   3.029
   15   1HE2  GLN   2          1HE2      GLN   2   8.486   8.270   2.717
   16   2HE2  GLN   2          2HE2      GLN   2   9.952   7.202   2.437
   17    H    ASN   3           H        ASN   3  10.102   0.526   1.703
   18    HA   ASN   3           HA       ASN   3   9.477  -1.227   3.019
   19   1HB   ASN   3          1HB       ASN   3   8.740   0.522   4.712
   20   2HB   ASN   3          2HB       ASN   3   7.086   0.247   4.210
   21   1HD2  ASN   3          1HD2      ASN   3   6.903  -2.901   6.041
   22   2HD2  ASN   3          2HD2      ASN   3   6.139  -1.843   4.751
   23    H    ALA   4           H        ALA   4   8.901  -2.854   1.739
   24    HA   ALA   4           HA       ALA   4   7.672  -4.488   0.685
   25   1HB   ALA   4          1HB       ALA   4   6.622  -4.786   2.807
   26   2HB   ALA   4          2HB       ALA   4   5.335  -3.619   2.399
   27   3HB   ALA   4          3HB       ALA   4   5.471  -5.146   1.490
   28    H    LYS   5           H        LYS   5   8.010  -3.515  -1.389
   29    HA   LYS   5           HA       LYS   5   7.373  -3.197  -3.514
   30   1HB   LYS   5          1HB       LYS   5   4.664  -3.936  -2.557
   31   2HB   LYS   5          2HB       LYS   5   4.527  -2.738  -3.784
   32   1HG   LYS   5          1HG       LYS   5   6.244  -5.266  -4.283
   33   2HG   LYS   5          2HG       LYS   5   4.508  -5.338  -4.326
   34   1HD   LYS   5          1HD       LYS   5   4.982  -5.148  -6.559
   35   2HD   LYS   5          2HD       LYS   5   4.468  -3.528  -6.153
   36   1HE   LYS   5          1HE       LYS   5   6.919  -2.801  -6.077
   37   2HE   LYS   5          2HE       LYS   5   7.407  -4.453  -6.496
   38   1HZ   LYS   5          1HZ       LYS   5   5.673  -2.698  -8.176
   39   2HZ   LYS   5          2HZ       LYS   5   7.262  -3.043  -8.465
   40   3HZ   LYS   5          3HZ       LYS   5   6.126  -4.238  -8.569
   41    H    LEU   6           H        LEU   6   4.819  -0.884  -2.361
   42    HA   LEU   6           HA       LEU   6   6.527   1.198  -3.799
   43   1HB   LEU   6          1HB       LEU   6   3.567   1.343  -3.778
   44   2HB   LEU   6          2HB       LEU   6   4.683   2.262  -4.744
   45    HG   LEU   6           HG       LEU   6   4.403  -0.773  -5.128
   46   1HD1  LEU   6          1HD1      LEU   6   2.140   0.183  -5.461
   47   2HD1  LEU   6          2HD1      LEU   6   2.772   1.276  -6.722
   48   3HD1  LEU   6          3HD1      LEU   6   2.785  -0.497  -6.959
   49   1HD2  LEU   6          1HD2      LEU   6   6.442   0.210  -6.170
   50   2HD2  LEU   6          2HD2      LEU   6   5.362  -0.509  -7.376
   51   3HD2  LEU   6          3HD2      LEU   6   5.429   1.270  -7.185
   52    H    LYS   7           H        LYS   7   3.682   2.127  -1.797
   53    HA   LYS   7           HA       LYS   7   5.646   3.518   0.108
   54   1HB   LYS   7          1HB       LYS   7   4.515   4.947  -1.802
   55   2HB   LYS   7          2HB       LYS   7   3.003   4.576  -1.010
   56   1HG   LYS   7          1HG       LYS   7   3.425   6.693  -0.251
   57   2HG   LYS   7          2HG       LYS   7   3.944   5.743   1.128
   58   1HD   LYS   7          1HD       LYS   7   6.339   6.044   0.448
   59   2HD   LYS   7          2HD       LYS   7   5.871   6.915  -1.002
   60   1HE   LYS   7          1HE       LYS   7   5.201   7.946   1.844
   61   2HE   LYS   7          2HE       LYS   7   6.711   8.293   1.015
   62   1HZ   LYS   7          1HZ       LYS   7   5.471   9.369  -0.774
   63   2HZ   LYS   7          2HZ       LYS   7   4.032   9.055  -0.026
   64   3HZ   LYS   7          3HZ       LYS   7   5.126  10.069   0.682
   65    H    ILE   8           H        ILE   8   5.377   1.741   1.548
   66    HA   ILE   8           HA       ILE   8   4.628   0.758   3.476
   67    HB   ILE   8           HB       ILE   8   2.254   2.625   3.708
   68   1HG1  ILE   8          1HG1      ILE   8   4.922   3.318   5.156
   69   2HG1  ILE   8          2HG1      ILE   8   4.638   3.854   3.533
   70   1HG2  ILE   8          1HG2      ILE   8   2.187   0.664   5.283
   71   2HG2  ILE   8          2HG2      ILE   8   3.756   1.147   5.979
   72   3HG2  ILE   8          3HG2      ILE   8   2.324   2.192   6.185
   73   1HD1  ILE   8          1HD1      ILE   8   2.650   5.190   4.163
   74   2HD1  ILE   8          2HD1      ILE   8   2.866   4.709   5.867
   75   3HD1  ILE   8          3HD1      ILE   8   4.121   5.677   5.047
   76    H    LYS   9           H        LYS   9   4.251  -1.167   2.168
   77    HA   LYS   9           HA       LYS   9   3.107  -3.099   1.777
   78   1HB   LYS   9          1HB       LYS   9   1.701  -2.552   3.990
   79   2HB   LYS   9          2HB       LYS   9   0.517  -2.095   2.860
   80   1HG   LYS   9          1HG       LYS   9  -0.095  -4.273   3.565
   81   2HG   LYS   9          2HG       LYS   9   0.402  -4.385   1.894
   82   1HD   LYS   9          1HD       LYS   9   1.239  -6.348   2.828
   83   2HD   LYS   9          2HD       LYS   9   2.648  -5.326   2.682
   84   1HE   LYS   9          1HE       LYS   9   2.928  -6.390   4.780
   85   2HE   LYS   9          2HE       LYS   9   2.370  -4.778   5.229
   86   1HZ   LYS   9          1HZ       LYS   9   0.665  -7.229   5.092
   87   2HZ   LYS   9          2HZ       LYS   9   1.216  -6.509   6.473
   88   3HZ   LYS   9          3HZ       LYS   9   0.120  -5.728   5.516
   89    H    ARG  10           H        ARG  10   3.215  -2.951  -0.434
   90    HA   ARG  10           HA       ARG  10   2.441  -3.112  -2.610
   91   1HB   ARG  10          1HB       ARG  10  -0.098  -3.596  -1.033
   92   2HB   ARG  10          2HB       ARG  10  -0.321  -3.626  -2.705
   93   1HG   ARG  10          1HG       ARG  10   1.519  -5.506  -1.136
   94   2HG   ARG  10          2HG       ARG  10  -0.033  -5.913  -1.850
   95   1HD   ARG  10          1HD       ARG  10   0.906  -5.625  -4.153
   96   2HD   ARG  10          2HD       ARG  10   2.445  -5.127  -3.506
   97    HE   ARG  10           HE       ARG  10   2.124  -7.602  -4.366
   98   1HH1  ARG  10          2HH1      ARG  10   2.895  -6.634  -0.986
   99   2HH1  ARG  10          1HH1      ARG  10   3.900  -8.158  -0.817
  100   1HH2  ARG  10          1HH2      ARG  10   3.135  -9.320  -3.951
  101   2HH2  ARG  10          2HH2      ARG  10   4.020  -9.550  -2.359
  102    HA   PRO  11           HA       PRO  11   1.096   1.201  -3.673
  103   1HB   PRO  11          1HB       PRO  11  -1.904   1.144  -3.984
  104   2HB   PRO  11          2HB       PRO  11  -0.674   1.889  -5.017
  105   1HG   PRO  11          1HG       PRO  11  -1.788  -0.453  -5.809
  106   2HG   PRO  11          2HG       PRO  11  -0.022  -0.228  -5.971
  107   1HD   PRO  11          1HD       PRO  11  -1.510  -1.686  -3.724
  108   2HD   PRO  11          2HD       PRO  11  -0.156  -2.279  -4.658
  109    H    VAL  12           H        VAL  12  -1.012   2.976  -2.626
  110    HA   VAL  12           HA       VAL  12   0.639   3.633  -0.392
  111    HB   VAL  12           HB       VAL  12  -1.945   4.960  -1.318
  112   1HG1  VAL  12          1HG1      VAL  12  -1.277   5.844   0.950
  113   2HG1  VAL  12          2HG1      VAL  12   0.312   6.335   0.345
  114   3HG1  VAL  12          3HG1      VAL  12  -1.175   7.135  -0.259
  115   1HG2  VAL  12          1HG2      VAL  12  -0.197   4.883  -3.155
  116   2HG2  VAL  12          2HG2      VAL  12  -0.531   6.563  -2.705
  117   3HG2  VAL  12          3HG2      VAL  12   0.968   5.753  -2.147
  118    H    LYS  13           H        LYS  13   0.491   2.399   1.492
  119    HA   LYS  13           HA       LYS  13  -0.083   2.112   3.647
  120   1HB   LYS  13          1HB       LYS  13  -1.137   4.475   3.385
  121   2HB   LYS  13          2HB       LYS  13  -2.701   3.655   3.420
  122   1HG   LYS  13          1HG       LYS  13  -2.142   2.751   5.734
  123   2HG   LYS  13          2HG       LYS  13  -0.581   3.568   5.675
  124   1HD   LYS  13          1HD       LYS  13  -1.804   5.819   5.496
  125   2HD   LYS  13          2HD       LYS  13  -3.330   4.955   5.594
  126   1HE   LYS  13          1HE       LYS  13  -3.031   5.750   7.766
  127   2HE   LYS  13          2HE       LYS  13  -2.576   4.062   7.934
  128   1HZ   LYS  13          1HZ       LYS  13  -0.686   6.365   7.661
  129   2HZ   LYS  13          2HZ       LYS  13  -1.012   5.533   9.050
  130   3HZ   LYS  13          3HZ       LYS  13  -0.218   4.788   7.808
  131    H    VAL  14           H        VAL  14  -0.280  -0.168   3.274
  132    HA   VAL  14           HA       VAL  14  -1.151  -2.082   4.046
  133    HB   VAL  14           HB       VAL  14  -3.940  -1.107   4.894
  134   1HG1  VAL  14          1HG1      VAL  14  -3.459  -3.586   4.985
  135   2HG1  VAL  14          2HG1      VAL  14  -2.093  -3.310   6.080
  136   3HG1  VAL  14          3HG1      VAL  14  -3.761  -2.930   6.605
  137   1HG2  VAL  14          1HG2      VAL  14  -2.295   0.509   5.915
  138   2HG2  VAL  14          2HG2      VAL  14  -3.080  -0.482   7.157
  139   3HG2  VAL  14          3HG2      VAL  14  -1.395  -0.821   6.655
  140    H    GLN  15           H        GLN  15  -1.009  -2.676   1.789
  141    HA   GLN  15           HA       GLN  15  -2.353  -4.380   0.018
  142   1HB   GLN  15          1HB       GLN  15  -4.202  -3.968  -0.908
  143   2HB   GLN  15          2HB       GLN  15  -4.529  -4.151   0.814
  144   1HG   GLN  15          1HG       GLN  15  -4.822  -1.634   1.044
  145   2HG   GLN  15          2HG       GLN  15  -4.394  -1.402  -0.634
  146   1HE2  GLN  15          1HE2      GLN  15  -7.777  -2.007  -1.653
  147   2HE2  GLN  15          2HE2      GLN  15  -6.024  -1.748  -2.178
  148    HA   PRO  16           HA       PRO  16  -2.931  -0.388  -2.695
  149   1HB   PRO  16          1HB       PRO  16  -5.581  -0.730  -3.807
  150   2HB   PRO  16          2HB       PRO  16  -4.001  -0.910  -4.595
  151   1HG   PRO  16          1HG       PRO  16  -5.791  -3.035  -3.435
  152   2HG   PRO  16          2HG       PRO  16  -4.632  -3.160  -4.775
  153   1HD   PRO  16          1HD       PRO  16  -4.081  -4.204  -2.321
  154   2HD   PRO  16          2HD       PRO  16  -2.797  -3.479  -3.303
  155    H    ILE  17           H        ILE  17  -5.130   1.362  -2.926
  156    HA   ILE  17           HA       ILE  17  -3.887   2.791  -0.878
  157    HB   ILE  17           HB       ILE  17  -6.229   3.708  -2.558
  158   1HG1  ILE  17          1HG1      ILE  17  -3.250   4.464  -3.104
  159   2HG1  ILE  17          2HG1      ILE  17  -3.924   2.996  -3.723
  160   1HG2  ILE  17          1HG2      ILE  17  -5.973   5.244  -0.563
  161   2HG2  ILE  17          2HG2      ILE  17  -4.273   5.549  -1.003
  162   3HG2  ILE  17          3HG2      ILE  17  -5.590   6.098  -2.077
  163   1HD1  ILE  17          1HD1      ILE  17  -5.596   4.173  -5.121
  164   2HD1  ILE  17          2HD1      ILE  17  -4.960   5.743  -4.554
  165   3HD1  ILE  17          3HD1      ILE  17  -3.916   4.645  -5.492
  166    H    ALA  18           H        ALA  18  -4.242   2.448   1.258
  167    HA   ALA  18           HA       ALA  18  -5.123   2.381   3.350
  168   1HB   ALA  18          1HB       ALA  18  -5.872   4.603   2.975
  169   2HB   ALA  18          2HB       ALA  18  -7.454   4.034   2.387
  170   3HB   ALA  18          3HB       ALA  18  -6.974   3.739   4.080
  171    H    ARG  19           H        ARG  19  -5.241  -0.019   2.545
  172    HA   ARG  19           HA       ARG  19  -6.487  -2.062   4.057
  173   1HB   ARG  19          1HB       ARG  19  -8.397  -0.947   4.814
  174   2HB   ARG  19          2HB       ARG  19  -8.908  -0.566   3.180
  175   1HG   ARG  19          1HG       ARG  19  -8.550  -3.455   4.296
  176   2HG   ARG  19          2HG       ARG  19 -10.085  -2.598   4.195
  177   1HD   ARG  19          1HD       ARG  19  -8.309  -3.108   1.718
  178   2HD   ARG  19          2HD       ARG  19  -9.536  -4.272   2.283
  179   1HH1  ARG  19          1HH1      ARG  19  -9.755  -4.208   0.066
  180   2HH1  ARG  19          2HH1      ARG  19 -10.951  -3.705  -1.248
  181   1HH2  ARG  19          1HH2      ARG  19 -11.963  -1.102   0.673
  182   2HH2  ARG  19          2HH2      ARG  19 -12.154  -2.017  -0.924
  183    H    ARG  20           H        ARG  20  -5.522  -2.238   1.479
  184    HA   ARG  20           HA       ARG  20  -5.625  -3.370  -0.555
  185   1HB   ARG  20          1HB       ARG  20  -6.175  -5.141   1.050
  186   2HB   ARG  20          2HB       ARG  20  -7.891  -4.941   0.729
  187   1HG   ARG  20          1HG       ARG  20  -7.478  -5.581  -1.711
  188   2HG   ARG  20          2HG       ARG  20  -5.776  -5.783  -1.334
  189   1HD   ARG  20          1HD       ARG  20  -6.597  -7.982  -1.325
  190   2HD   ARG  20          2HD       ARG  20  -6.466  -7.627   0.391
  191    HE   ARG  20           HE       ARG  20  -9.192  -7.028  -0.606
  192   1HH1  ARG  20          2HH1      ARG  20  -7.206  -9.868   0.379
  193   2HH1  ARG  20          1HH1      ARG  20  -8.750 -10.795   0.729
  194   1HH2  ARG  20          1HH2      ARG  20 -10.814  -8.201  -0.167
  195   2HH2  ARG  20          2HH2      ARG  20 -10.629  -9.922   0.443
  196    H    VAL  21           H        VAL  21  -9.217  -3.554  -0.666
  197    HA   VAL  21           HA       VAL  21  -9.007  -2.161  -3.320
  198    HB   VAL  21           HB       VAL  21 -11.494  -3.549  -2.205
  199   1HG1  VAL  21          1HG1      VAL  21 -12.029  -1.924  -4.030
  200   2HG1  VAL  21          2HG1      VAL  21 -10.932  -2.761  -5.143
  201   3HG1  VAL  21          3HG1      VAL  21 -12.397  -3.584  -4.523
  202   1HG2  VAL  21          1HG2      VAL  21  -9.621  -5.221  -2.513
  203   2HG2  VAL  21          2HG2      VAL  21 -10.966  -5.547  -3.618
  204   3HG2  VAL  21          3HG2      VAL  21  -9.468  -4.770  -4.221
  205    H    TYR  22          1H        TYR  22  -9.412   2.423  -3.789
  206    H    TYR  22          2H        TYR  22  -8.476  -0.062  -2.374
  207    HA   TYR  22           HA       TYR  22 -10.550   1.884  -1.054
  208   1HB   TYR  22          1HB       TYR  22  -8.486   2.512  -0.372
  209   2HB   TYR  22          2HB       TYR  22  -7.870   2.554  -1.999
  210    HD1  TYR  22           HD1      TYR  22 -10.127   4.295   0.376
  211    HD2  TYR  22           HD2      TYR  22  -8.489   4.299  -3.599
  212    HE1  TYR  22           HE1      TYR  22 -10.860   6.632   0.064
  213    HE2  TYR  22           HE2      TYR  22  -9.229   6.622  -3.899
  214    HH   TYR  22           HH       TYR  22 -10.247   8.357  -2.976
   
  No H/Q in entry =         214
  Start of MODEL    2
    1    H    PRO   1           H        PRO   1  11.756   0.320  -2.631
    2    HA   PRO   1           HA       PRO   1   9.978   2.135  -3.253
    3   1HB   PRO   1          1HB       PRO   1   7.928   1.812  -1.494
    4   2HB   PRO   1          2HB       PRO   1   7.981   0.970  -3.185
    5   1HG   PRO   1          1HG       PRO   1   9.017  -0.177  -0.483
    6   2HG   PRO   1          2HG       PRO   1   7.647  -0.776  -1.635
    7   1HD   PRO   1          1HD       PRO   1  10.312  -1.566  -1.552
    8   2HD   PRO   1          2HD       PRO   1   9.422  -1.356  -3.155
    9    H    GLN   2           H        GLN   2   8.635   3.560  -1.118
   10    HA   GLN   2           HA       GLN   2  10.246   3.482   1.332
   11   1HB   GLN   2          1HB       GLN   2   7.444   4.616   0.728
   12   2HB   GLN   2          2HB       GLN   2   8.228   4.764   2.290
   13   1HG   GLN   2          1HG       GLN   2  10.125   6.073   1.275
   14   2HG   GLN   2          2HG       GLN   2   9.336   5.967  -0.297
   15   1HE2  GLN   2          1HE2      GLN   2   7.898   8.747   2.337
   16   2HE2  GLN   2          2HE2      GLN   2   9.283   7.619   2.758
   17    H    ASN   3           H        ASN   3  10.272   1.137   1.392
   18    HA   ASN   3           HA       ASN   3   9.995  -0.732   2.741
   19   1HB   ASN   3          1HB       ASN   3   7.601   0.479   4.147
   20   2HB   ASN   3          2HB       ASN   3   8.287  -1.091   4.520
   21   1HD2  ASN   3          1HD2      ASN   3  11.069   0.348   6.359
   22   2HD2  ASN   3          2HD2      ASN   3  10.386  -1.153   5.556
   23    H    ALA   4           H        ALA   4   9.582  -2.313   1.394
   24    HA   ALA   4           HA       ALA   4   8.559  -4.090   0.409
   25   1HB   ALA   4          1HB       ALA   4   7.617  -4.233   2.720
   26   2HB   ALA   4          2HB       ALA   4   6.055  -3.725   2.034
   27   3HB   ALA   4          3HB       ALA   4   6.863  -5.221   1.471
   28    H    LYS   5           H        LYS   5   8.668  -3.083  -1.640
   29    HA   LYS   5           HA       LYS   5   7.985  -3.011  -3.725
   30   1HB   LYS   5          1HB       LYS   5   5.666  -4.397  -3.151
   31   2HB   LYS   5          2HB       LYS   5   4.985  -2.836  -3.429
   32   1HG   LYS   5          1HG       LYS   5   6.211  -2.785  -5.757
   33   2HG   LYS   5          2HG       LYS   5   6.621  -4.469  -5.460
   34   1HD   LYS   5          1HD       LYS   5   4.061  -4.948  -5.315
   35   2HD   LYS   5          2HD       LYS   5   3.805  -3.255  -5.710
   36   1HE   LYS   5          1HE       LYS   5   3.489  -4.331  -7.750
   37   2HE   LYS   5          2HE       LYS   5   5.098  -3.648  -7.932
   38   1HZ   LYS   5          1HZ       LYS   5   4.473  -6.491  -7.237
   39   2HZ   LYS   5          2HZ       LYS   5   4.997  -5.942  -8.705
   40   3HZ   LYS   5          3HZ       LYS   5   6.001  -5.883  -7.394
   41    H    LEU   6           H        LEU   6   5.222  -0.941  -2.634
   42    HA   LEU   6           HA       LEU   6   6.617   1.345  -4.090
   43   1HB   LEU   6          1HB       LEU   6   3.685   0.619  -3.940
   44   2HB   LEU   6          2HB       LEU   6   4.246   2.102  -4.639
   45    HG   LEU   6           HG       LEU   6   5.288  -0.563  -5.797
   46   1HD1  LEU   6          1HD1      LEU   6   2.818  -0.794  -5.789
   47   2HD1  LEU   6          2HD1      LEU   6   2.664   0.720  -6.716
   48   3HD1  LEU   6          3HD1      LEU   6   3.464  -0.714  -7.432
   49   1HD2  LEU   6          1HD2      LEU   6   6.449   1.491  -6.566
   50   2HD2  LEU   6          2HD2      LEU   6   5.656   0.630  -7.899
   51   3HD2  LEU   6          3HD2      LEU   6   4.918   2.120  -7.229
   52    H    LYS   7           H        LYS   7   3.811   1.600  -1.877
   53    HA   LYS   7           HA       LYS   7   5.597   3.028   0.143
   54   1HB   LYS   7          1HB       LYS   7   4.465   4.735  -1.420
   55   2HB   LYS   7          2HB       LYS   7   2.903   4.142  -0.847
   56   1HG   LYS   7          1HG       LYS   7   3.557   4.862   1.512
   57   2HG   LYS   7          2HG       LYS   7   5.104   5.443   0.891
   58   1HD   LYS   7          1HD       LYS   7   3.875   7.110  -0.592
   59   2HD   LYS   7          2HD       LYS   7   2.331   6.524   0.033
   60   1HE   LYS   7          1HE       LYS   7   2.987   7.274   2.366
   61   2HE   LYS   7          2HE       LYS   7   4.538   7.862   1.737
   62   1HZ   LYS   7          1HZ       LYS   7   3.301   9.371   0.269
   63   2HZ   LYS   7          2HZ       LYS   7   1.857   8.825   0.856
   64   3HZ   LYS   7          3HZ       LYS   7   2.898   9.636   1.849
   65    H    ILE   8           H        ILE   8   5.462   1.144   1.382
   66    HA   ILE   8           HA       ILE   8   4.761  -0.073   3.175
   67    HB   ILE   8           HB       ILE   8   2.221   1.551   3.432
   68   1HG1  ILE   8          1HG1      ILE   8   4.754   2.311   5.079
   69   2HG1  ILE   8          2HG1      ILE   8   4.570   2.917   3.471
   70   1HG2  ILE   8          1HG2      ILE   8   2.226  -0.517   4.854
   71   2HG2  ILE   8          2HG2      ILE   8   3.721   0.022   5.661
   72   3HG2  ILE   8          3HG2      ILE   8   2.209   0.950   5.862
   73   1HD1  ILE   8          1HD1      ILE   8   2.472   4.115   3.990
   74   2HD1  ILE   8          2HD1      ILE   8   2.576   3.566   5.685
   75   3HD1  ILE   8          3HD1      ILE   8   3.841   4.627   5.009
   76    H    LYS   9           H        LYS   9   4.673  -1.885   1.719
   77    HA   LYS   9           HA       LYS   9   3.915  -3.972   1.373
   78   1HB   LYS   9          1HB       LYS   9   2.675  -3.707   3.627
   79   2HB   LYS   9          2HB       LYS   9   1.209  -3.484   2.684
   80   1HG   LYS   9          1HG       LYS   9   1.694  -5.829   1.635
   81   2HG   LYS   9          2HG       LYS   9   3.020  -5.986   2.791
   82   1HD   LYS   9          1HD       LYS   9   1.325  -5.722   4.703
   83   2HD   LYS   9          2HD       LYS   9   0.034  -5.609   3.502
   84   1HE   LYS   9          1HE       LYS   9   0.565  -7.949   2.695
   85   2HE   LYS   9          2HE       LYS   9   1.869  -8.066   3.892
   86   1HZ   LYS   9          1HZ       LYS   9   0.203  -7.731   5.646
   87   2HZ   LYS   9          2HZ       LYS   9  -1.010  -7.621   4.531
   88   3HZ   LYS   9          3HZ       LYS   9  -0.186  -9.041   4.718
   89    H    ARG  10           H        ARG  10   3.911  -3.867  -0.837
   90    HA   ARG  10           HA       ARG  10   3.170  -4.020  -3.033
   91   1HB   ARG  10          1HB       ARG  10   0.734  -5.109  -1.548
   92   2HB   ARG  10          2HB       ARG  10   0.668  -4.962  -3.268
   93   1HG   ARG  10          1HG       ARG  10   1.093  -7.145  -2.902
   94   2HG   ARG  10          2HG       ARG  10   2.522  -6.494  -3.650
   95   1HD   ARG  10          1HD       ARG  10   2.320  -6.965  -0.578
   96   2HD   ARG  10          2HD       ARG  10   2.670  -8.279  -1.701
   97    HE   ARG  10           HE       ARG  10   4.682  -6.827  -2.539
   98   1HH1  ARG  10          2HH1      ARG  10   3.669  -6.676   0.907
   99   2HH1  ARG  10          1HH1      ARG  10   5.390  -6.234   1.364
  100   1HH2  ARG  10          1HH2      ARG  10   6.522  -6.290  -1.887
  101   2HH2  ARG  10          2HH2      ARG  10   6.885  -6.033  -0.107
  102    HA   PRO  11           HA       PRO  11   1.041   0.023  -4.130
  103   1HB   PRO  11          1HB       PRO  11  -1.905  -0.645  -3.666
  104   2HB   PRO  11          2HB       PRO  11  -1.337   0.430  -4.884
  105   1HG   PRO  11          1HG       PRO  11  -1.878  -2.060  -5.670
  106   2HG   PRO  11          2HG       PRO  11  -0.252  -1.463  -6.121
  107   1HD   PRO  11          1HD       PRO  11  -1.015  -3.253  -3.750
  108   2HD   PRO  11          2HD       PRO  11   0.312  -3.466  -4.902
  109    H    VAL  12           H        VAL  12  -1.025   1.755  -2.934
  110    HA   VAL  12           HA       VAL  12   0.742   2.686  -0.777
  111    HB   VAL  12           HB       VAL  12  -1.816   3.978  -1.805
  112   1HG1  VAL  12          1HG1      VAL  12  -1.227   4.889   0.464
  113   2HG1  VAL  12          2HG1      VAL  12   0.368   5.397  -0.119
  114   3HG1  VAL  12          3HG1      VAL  12  -1.122   6.146  -0.775
  115   1HG2  VAL  12          1HG2      VAL  12  -0.056   3.844  -3.596
  116   2HG2  VAL  12          2HG2      VAL  12  -0.426   5.525  -3.188
  117   3HG2  VAL  12          3HG2      VAL  12   1.081   4.761  -2.591
  118    H    LYS  13           H        LYS  13   0.572   1.806   1.230
  119    HA   LYS  13           HA       LYS  13  -0.160   1.142   3.297
  120   1HB   LYS  13          1HB       LYS  13  -0.901   3.522   3.281
  121   2HB   LYS  13          2HB       LYS  13  -2.527   2.999   2.857
  122   1HG   LYS  13          1HG       LYS  13  -2.636   1.711   5.053
  123   2HG   LYS  13          2HG       LYS  13  -1.031   2.309   5.477
  124   1HD   LYS  13          1HD       LYS  13  -1.865   4.683   5.429
  125   2HD   LYS  13          2HD       LYS  13  -3.475   4.137   4.951
  126   1HE   LYS  13          1HE       LYS  13  -3.733   2.886   7.118
  127   2HE   LYS  13          2HE       LYS  13  -2.114   3.396   7.628
  128   1HZ   LYS  13          1HZ       LYS  13  -4.371   5.237   6.992
  129   2HZ   LYS  13          2HZ       LYS  13  -3.821   4.865   8.505
  130   3HZ   LYS  13          3HZ       LYS  13  -2.862   5.716   7.463
  131    H    VAL  14           H        VAL  14  -0.383  -1.023   2.511
  132    HA   VAL  14           HA       VAL  14  -1.273  -3.104   2.909
  133    HB   VAL  14           HB       VAL  14  -3.818  -1.971   4.115
  134   1HG1  VAL  14          1HG1      VAL  14  -4.054  -4.382   3.474
  135   2HG1  VAL  14          2HG1      VAL  14  -2.681  -4.817   4.512
  136   3HG1  VAL  14          3HG1      VAL  14  -4.186  -4.159   5.225
  137   1HG2  VAL  14          1HG2      VAL  14  -1.830  -1.184   5.419
  138   2HG2  VAL  14          2HG2      VAL  14  -2.860  -2.252   6.385
  139   3HG2  VAL  14          3HG2      VAL  14  -1.321  -2.862   5.700
  140    H    GLN  15           H        GLN  15  -1.156  -3.250   0.590
  141    HA   GLN  15           HA       GLN  15  -1.899  -4.057  -1.433
  142   1HB   GLN  15          1HB       GLN  15  -4.622  -4.447  -0.132
  143   2HB   GLN  15          2HB       GLN  15  -4.298  -4.985  -1.750
  144   1HG   GLN  15          1HG       GLN  15  -2.863  -6.066   0.713
  145   2HG   GLN  15          2HG       GLN  15  -4.278  -6.768  -0.054
  146   1HE2  GLN  15          1HE2      GLN  15  -0.655  -7.507  -1.803
  147   2HE2  GLN  15          2HE2      GLN  15  -0.827  -6.368  -0.374
  148    HA   PRO  16           HA       PRO  16  -3.916  -0.274  -3.732
  149   1HB   PRO  16          1HB       PRO  16  -6.891  -0.976  -3.449
  150   2HB   PRO  16          2HB       PRO  16  -5.980  -0.637  -4.885
  151   1HG   PRO  16          1HG       PRO  16  -6.553  -3.227  -3.509
  152   2HG   PRO  16          2HG       PRO  16  -6.057  -2.978  -5.213
  153   1HD   PRO  16          1HD       PRO  16  -4.153  -4.059  -3.573
  154   2HD   PRO  16          2HD       PRO  16  -3.759  -2.741  -4.611
  155    H    ILE  17           H        ILE  17  -5.689   1.613  -3.337
  156    HA   ILE  17           HA       ILE  17  -4.120   2.743  -1.315
  157    HB   ILE  17           HB       ILE  17  -6.410   4.398  -2.428
  158   1HG1  ILE  17          1HG1      ILE  17  -5.802   3.512  -4.448
  159   2HG1  ILE  17          2HG1      ILE  17  -5.273   5.162  -4.435
  160   1HG2  ILE  17          1HG2      ILE  17  -4.995   5.499  -0.688
  161   2HG2  ILE  17          2HG2      ILE  17  -3.589   5.375  -1.774
  162   3HG2  ILE  17          3HG2      ILE  17  -4.997   6.367  -2.237
  163   1HD1  ILE  17          1HD1      ILE  17  -3.465   2.662  -4.251
  164   2HD1  ILE  17          2HD1      ILE  17  -3.689   3.720  -5.672
  165   3HD1  ILE  17          3HD1      ILE  17  -2.857   4.342  -4.215
  166    H    ALA  18           H        ALA  18  -4.421   2.591   0.837
  167    HA   ALA  18           HA       ALA  18  -5.168   2.935   2.961
  168   1HB   ALA  18          1HB       ALA  18  -5.797   5.161   2.348
  169   2HB   ALA  18          2HB       ALA  18  -7.451   4.632   1.941
  170   3HB   ALA  18          3HB       ALA  18  -6.865   4.513   3.621
  171    H    ARG  19           H        ARG  19  -5.404   0.626   3.001
  172    HA   ARG  19           HA       ARG  19  -6.306  -1.246   3.847
  173   1HB   ARG  19          1HB       ARG  19  -7.336   0.232   5.573
  174   2HB   ARG  19          2HB       ARG  19  -8.874   0.128   4.728
  175   1HG   ARG  19          1HG       ARG  19  -8.935  -2.360   5.074
  176   2HG   ARG  19          2HG       ARG  19  -7.344  -2.317   5.831
  177   1HD   ARG  19          1HD       ARG  19  -8.240  -0.898   7.705
  178   2HD   ARG  19          2HD       ARG  19  -9.848  -0.914   6.958
  179    HE   ARG  19           HE       ARG  19 -10.052  -3.337   7.424
  180   1HH1  ARG  19          2HH1      ARG  19  -7.059  -2.032   8.942
  181   2HH1  ARG  19          1HH1      ARG  19  -6.992  -3.511  10.026
  182   1HH2  ARG  19          1HH2      ARG  19  -9.831  -4.920   8.704
  183   2HH2  ARG  19          2HH2      ARG  19  -8.441  -5.016   9.898
  184    H    ARG  20           H        ARG  20  -6.117  -1.373   1.378
  185    HA   ARG  20           HA       ARG  20  -6.534  -2.558  -0.450
  186   1HB   ARG  20          1HB       ARG  20  -7.114  -4.425   1.083
  187   2HB   ARG  20          2HB       ARG  20  -8.820  -4.036   0.922
  188   1HG   ARG  20          1HG       ARG  20  -8.683  -4.512  -1.547
  189   2HG   ARG  20          2HG       ARG  20  -6.976  -4.898  -1.405
  190   1HD   ARG  20          1HD       ARG  20  -9.176  -6.471   0.117
  191   2HD   ARG  20          2HD       ARG  20  -8.661  -6.859  -1.518
  192    HE   ARG  20           HE       ARG  20  -6.256  -6.808   0.076
  193   1HH1  ARG  20          2HH1      ARG  20  -9.178  -8.904  -0.137
  194   2HH1  ARG  20          1HH1      ARG  20  -8.186 -10.310   0.498
  195   1HH2  ARG  20          1HH2      ARG  20  -5.295  -8.478   0.773
  196   2HH2  ARG  20          2HH2      ARG  20  -6.161 -10.083   0.972
  197    H    VAL  21           H        VAL  21 -10.081  -2.571  -0.587
  198    HA   VAL  21           HA       VAL  21  -9.540  -1.237  -3.146
  199    HB   VAL  21           HB       VAL  21 -11.886  -1.631  -3.826
  200   1HG1  VAL  21          1HG1      VAL  21 -10.094  -3.294  -4.337
  201   2HG1  VAL  21          2HG1      VAL  21 -10.533  -4.223  -2.886
  202   3HG1  VAL  21          3HG1      VAL  21 -11.695  -4.049  -4.233
  203   1HG2  VAL  21          1HG2      VAL  21 -13.122  -1.643  -1.647
  204   2HG2  VAL  21          2HG2      VAL  21 -13.500  -3.059  -2.646
  205   3HG2  VAL  21          3HG2      VAL  21 -12.404  -3.216  -1.243
  206    H    TYR  22          1H        TYR  22  -9.446   3.115  -4.272
  207    H    TYR  22          2H        TYR  22  -8.890   0.828  -2.416
  208    HA   TYR  22           HA       TYR  22 -10.774   3.164  -1.551
  209   1HB   TYR  22          1HB       TYR  22  -8.683   3.630  -0.824
  210   2HB   TYR  22          2HB       TYR  22  -7.995   3.397  -2.405
  211    HD1  TYR  22           HD1      TYR  22  -8.392   5.007  -4.264
  212    HD2  TYR  22           HD2      TYR  22 -10.099   5.638  -0.369
  213    HE1  TYR  22           HE1      TYR  22  -8.856   7.362  -4.837
  214    HE2  TYR  22           HE2      TYR  22 -10.549   7.982  -0.949
  215    HH   TYR  22           HH       TYR  22 -10.400   9.548  -2.506
   
  No H/Q in entry =         215
  Start of MODEL    3
    1    H    PRO   1           H        PRO   1  11.875   1.379  -3.545
    2    HA   PRO   1           HA       PRO   1  11.205   3.626  -3.460
    3   1HB   PRO   1          1HB       PRO   1   8.388   2.547  -4.031
    4   2HB   PRO   1          2HB       PRO   1   8.984   4.192  -4.358
    5   1HG   PRO   1          1HG       PRO   1   8.958   2.189  -6.282
    6   2HG   PRO   1          2HG       PRO   1  10.219   3.452  -6.265
    7   1HD   PRO   1          1HD       PRO   1  10.635   0.590  -5.756
    8   2HD   PRO   1          2HD       PRO   1  11.821   1.928  -5.743
    9    H    GLN   2           H        GLN   2   8.278   3.365  -1.807
   10    HA   GLN   2           HA       GLN   2   9.877   3.298   0.782
   11   1HB   GLN   2          1HB       GLN   2   8.558   5.380   0.067
   12   2HB   GLN   2          2HB       GLN   2   7.078   4.441   0.236
   13   1HG   GLN   2          1HG       GLN   2   7.600   4.147   2.697
   14   2HG   GLN   2          2HG       GLN   2   9.095   5.055   2.498
   15   1HE2  GLN   2          1HE2      GLN   2   7.320   8.229   2.561
   16   2HE2  GLN   2          2HE2      GLN   2   8.918   7.353   2.346
   17    H    ASN   3           H        ASN   3   9.992   0.980   0.549
   18    HA   ASN   3           HA       ASN   3   9.690  -1.031   1.622
   19   1HB   ASN   3          1HB       ASN   3   7.315   0.099   3.133
   20   2HB   ASN   3          2HB       ASN   3   7.984  -1.501   3.400
   21   1HD2  ASN   3          1HD2      ASN   3  10.804  -0.206   5.289
   22   2HD2  ASN   3          2HD2      ASN   3  10.095  -1.649   4.404
   23    H    ALA   4           H        ALA   4   9.283  -2.534   0.159
   24    HA   ALA   4           HA       ALA   4   8.256  -4.113  -1.179
   25   1HB   ALA   4          1HB       ALA   4   5.848  -3.712   0.588
   26   2HB   ALA   4          2HB       ALA   4   5.925  -4.937  -0.710
   27   3HB   ALA   4          3HB       ALA   4   7.055  -5.004   0.654
   28    H    LYS   5           H        LYS   5   8.665  -2.672  -2.949
   29    HA   LYS   5           HA       LYS   5   8.196  -2.075  -5.067
   30   1HB   LYS   5          1HB       LYS   5   5.310  -2.981  -4.667
   31   2HB   LYS   5          2HB       LYS   5   5.848  -2.186  -6.139
   32   1HG   LYS   5          1HG       LYS   5   7.619  -4.038  -6.425
   33   2HG   LYS   5          2HG       LYS   5   6.892  -4.854  -5.051
   34   1HD   LYS   5          1HD       LYS   5   5.937  -5.963  -6.892
   35   2HD   LYS   5          2HD       LYS   5   4.658  -4.905  -6.363
   36   1HE   LYS   5          1HE       LYS   5   4.533  -4.710  -8.702
   37   2HE   LYS   5          2HE       LYS   5   5.414  -3.251  -8.268
   38   1HZ   LYS   5          1HZ       LYS   5   6.657  -5.781  -9.269
   39   2HZ   LYS   5          2HZ       LYS   5   6.447  -4.393 -10.141
   40   3HZ   LYS   5          3HZ       LYS   5   7.496  -4.416  -8.865
   41    H    LEU   6           H        LEU   6   5.137  -0.602  -3.765
   42    HA   LEU   6           HA       LEU   6   6.265   2.007  -4.868
   43   1HB   LEU   6          1HB       LEU   6   3.388   1.156  -4.781
   44   2HB   LEU   6          2HB       LEU   6   3.996   2.655  -5.442
   45    HG   LEU   6           HG       LEU   6   4.580  -0.109  -6.704
   46   1HD1  LEU   6          1HD1      LEU   6   2.152   0.441  -6.840
   47   2HD1  LEU   6          2HD1      LEU   6   2.521   2.010  -7.593
   48   3HD1  LEU   6          3HD1      LEU   6   2.887   0.484  -8.448
   49   1HD2  LEU   6          1HD2      LEU   6   6.333   1.623  -7.303
   50   2HD2  LEU   6          2HD2      LEU   6   5.392   1.141  -8.728
   51   3HD2  LEU   6          3HD2      LEU   6   5.075   2.709  -7.928
   52    H    LYS   7           H        LYS   7   3.406   1.938  -2.677
   53    HA   LYS   7           HA       LYS   7   5.199   3.098  -0.481
   54   1HB   LYS   7          1HB       LYS   7   4.010   4.911  -1.836
   55   2HB   LYS   7          2HB       LYS   7   2.469   4.229  -1.338
   56   1HG   LYS   7          1HG       LYS   7   3.067   4.719   1.055
   57   2HG   LYS   7          2HG       LYS   7   4.617   5.367   0.576
   58   1HD   LYS   7          1HD       LYS   7   1.913   6.561  -0.397
   59   2HD   LYS   7          2HD       LYS   7   2.624   6.965   1.150
   60   1HE   LYS   7          1HE       LYS   7   4.659   7.927   0.050
   61   2HE   LYS   7          2HE       LYS   7   4.004   7.516  -1.544
   62   1HZ   LYS   7          1HZ       LYS   7   2.088   8.957  -1.064
   63   2HZ   LYS   7          2HZ       LYS   7   2.699   9.342   0.423
   64   3HZ   LYS   7          3HZ       LYS   7   3.499   9.809  -0.945
   65    H    ILE   8           H        ILE   8   5.177   1.117   0.554
   66    HA   ILE   8           HA       ILE   8   4.611  -0.295   2.239
   67    HB   ILE   8           HB       ILE   8   2.016   1.130   2.840
   68   1HG1  ILE   8          1HG1      ILE   8   2.639  -1.223   3.989
   69   2HG1  ILE   8          2HG1      ILE   8   3.774  -0.341   4.957
   70   1HG2  ILE   8          1HG2      ILE   8   3.876   2.819   2.834
   71   2HG2  ILE   8          2HG2      ILE   8   3.217   2.599   4.474
   72   3HG2  ILE   8          3HG2      ILE   8   4.778   1.853   4.031
   73   1HD1  ILE   8          1HD1      ILE   8   0.694   0.020   4.864
   74   2HD1  ILE   8          2HD1      ILE   8   1.639  -0.795   6.139
   75   3HD1  ILE   8          3HD1      ILE   8   1.779   0.970   5.921
   76    H    LYS   9           H        LYS   9   4.517  -1.947   0.649
   77    HA   LYS   9           HA       LYS   9   3.756  -4.026  -0.045
   78   1HB   LYS   9          1HB       LYS   9   1.138  -3.662   1.442
   79   2HB   LYS   9          2HB       LYS   9   1.619  -5.103   0.560
   80   1HG   LYS   9          1HG       LYS   9   3.573  -5.434   2.111
   81   2HG   LYS   9          2HG       LYS   9   3.096  -3.996   3.019
   82   1HD   LYS   9          1HD       LYS   9   0.858  -5.092   3.570
   83   2HD   LYS   9          2HD       LYS   9   1.341  -6.527   2.665
   84   1HE   LYS   9          1HE       LYS   9   3.272  -6.898   4.273
   85   2HE   LYS   9          2HE       LYS   9   2.788  -5.454   5.183
   86   1HZ   LYS   9          1HZ       LYS   9   1.079  -7.860   4.750
   87   2HZ   LYS   9          2HZ       LYS   9   1.860  -7.468   6.152
   88   3HZ   LYS   9          3HZ       LYS   9   0.629  -6.516   5.598
   89    H    ARG  10           H        ARG  10   3.812  -3.391  -2.175
   90    HA   ARG  10           HA       ARG  10   3.088  -3.063  -4.366
   91   1HB   ARG  10          1HB       ARG  10   0.607  -4.453  -3.242
   92   2HB   ARG  10          2HB       ARG  10   0.738  -4.066  -4.942
   93   1HG   ARG  10          1HG       ARG  10   2.877  -5.454  -5.093
   94   2HG   ARG  10          2HG       ARG  10   2.607  -5.936  -3.430
   95   1HD   ARG  10          1HD       ARG  10   1.780  -7.751  -4.684
   96   2HD   ARG  10          2HD       ARG  10   0.316  -6.929  -4.163
   97    HE   ARG  10           HE       ARG  10   1.519  -6.766  -6.990
   98   1HH1  ARG  10          2HH1      ARG  10  -1.449  -6.398  -5.000
   99   2HH1  ARG  10          1HH1      ARG  10  -2.412  -6.126  -6.538
  100   1HH2  ARG  10          1HH2      ARG  10   0.320  -6.474  -8.595
  101   2HH2  ARG  10          2HH2      ARG  10  -1.481  -6.166  -8.421
  102    HA   PRO  11           HA       PRO  11   0.995   0.995  -4.700
  103   1HB   PRO  11          1HB       PRO  11  -1.995   0.468  -4.806
  104   2HB   PRO  11          2HB       PRO  11  -1.032   1.623  -5.749
  105   1HG   PRO  11          1HG       PRO  11  -1.712  -0.712  -6.922
  106   2HG   PRO  11          2HG       PRO  11  -0.032  -0.118  -7.087
  107   1HD   PRO  11          1HD       PRO  11  -1.086  -2.233  -5.145
  108   2HD   PRO  11          2HD       PRO  11   0.373  -2.264  -6.173
  109    H    VAL  12           H        VAL  12  -1.272   2.409  -3.416
  110    HA   VAL  12           HA       VAL  12   0.364   3.056  -1.111
  111    HB   VAL  12           HB       VAL  12  -2.296   4.288  -1.955
  112   1HG1  VAL  12          1HG1      VAL  12  -1.756   4.918   0.426
  113   2HG1  VAL  12          2HG1      VAL  12  -0.199   5.602  -0.068
  114   3HG1  VAL  12          3HG1      VAL  12  -1.734   6.346  -0.619
  115   1HG2  VAL  12          1HG2      VAL  12  -0.521   4.541  -3.730
  116   2HG2  VAL  12          2HG2      VAL  12  -0.998   6.123  -3.093
  117   3HG2  VAL  12          3HG2      VAL  12   0.551   5.373  -2.593
  118    H    LYS  13           H        LYS  13   0.301   1.848   0.728
  119    HA   LYS  13           HA       LYS  13  -0.373   0.948   2.749
  120   1HB   LYS  13          1HB       LYS  13  -2.875   2.653   2.422
  121   2HB   LYS  13          2HB       LYS  13  -2.493   1.776   3.893
  122   1HG   LYS  13          1HG       LYS  13  -0.489   3.129   4.340
  123   2HG   LYS  13          2HG       LYS  13  -0.594   3.891   2.764
  124   1HD   LYS  13          1HD       LYS  13  -1.351   5.571   4.160
  125   2HD   LYS  13          2HD       LYS  13  -2.821   4.952   3.460
  126   1HE   LYS  13          1HE       LYS  13  -3.361   5.402   5.717
  127   2HE   LYS  13          2HE       LYS  13  -3.218   3.647   5.673
  128   1HZ   LYS  13          1HZ       LYS  13  -1.116   5.537   6.649
  129   2HZ   LYS  13          2HZ       LYS  13  -2.089   4.599   7.598
  130   3HZ   LYS  13          3HZ       LYS  13  -0.959   3.893   6.622
  131    H    VAL  14           H        VAL  14  -0.385  -1.126   1.689
  132    HA   VAL  14           HA       VAL  14  -1.078  -3.293   1.912
  133    HB   VAL  14           HB       VAL  14  -3.696  -2.545   3.241
  134   1HG1  VAL  14          1HG1      VAL  14  -3.707  -4.895   2.361
  135   2HG1  VAL  14          2HG1      VAL  14  -2.263  -5.286   3.313
  136   3HG1  VAL  14          3HG1      VAL  14  -3.801  -4.870   4.131
  137   1HG2  VAL  14          1HG2      VAL  14  -1.744  -1.703   4.580
  138   2HG2  VAL  14          2HG2      VAL  14  -2.628  -2.966   5.454
  139   3HG2  VAL  14          3HG2      VAL  14  -1.065  -3.339   4.664
  140    H    GLN  15           H        GLN  15  -0.946  -3.283  -0.420
  141    HA   GLN  15           HA       GLN  15  -1.636  -4.239  -2.354
  142   1HB   GLN  15          1HB       GLN  15  -4.415  -4.853  -1.360
  143   2HB   GLN  15          2HB       GLN  15  -3.574  -5.581  -2.714
  144   1HG   GLN  15          1HG       GLN  15  -2.847  -6.045   0.208
  145   2HG   GLN  15          2HG       GLN  15  -3.850  -7.079  -0.795
  146   1HE2  GLN  15          1HE2      GLN  15   0.212  -7.389  -1.260
  147   2HE2  GLN  15          2HE2      GLN  15  -0.544  -6.105  -0.190
  148    HA   PRO  16           HA       PRO  16  -3.939  -0.639  -4.434
  149   1HB   PRO  16          1HB       PRO  16  -6.831  -0.783  -4.537
  150   2HB   PRO  16          2HB       PRO  16  -5.657  -1.156  -5.811
  151   1HG   PRO  16          1HG       PRO  16  -6.900  -3.074  -3.759
  152   2HG   PRO  16          2HG       PRO  16  -6.687  -3.316  -5.519
  153   1HD   PRO  16          1HD       PRO  16  -4.820  -4.468  -3.976
  154   2HD   PRO  16          2HD       PRO  16  -4.304  -3.457  -5.285
  155    H    ILE  17           H        ILE  17  -5.770   1.282  -3.944
  156    HA   ILE  17           HA       ILE  17  -4.344   2.506  -1.839
  157    HB   ILE  17           HB       ILE  17  -6.801   3.654  -3.228
  158   1HG1  ILE  17          1HG1      ILE  17  -5.877   4.915  -1.036
  159   2HG1  ILE  17          2HG1      ILE  17  -4.509   5.398  -1.975
  160   1HG2  ILE  17          1HG2      ILE  17  -4.981   2.998  -4.880
  161   2HG2  ILE  17          2HG2      ILE  17  -5.192   4.763  -4.858
  162   3HG2  ILE  17          3HG2      ILE  17  -3.801   4.018  -4.021
  163   1HD1  ILE  17          1HD1      ILE  17  -7.484   6.150  -2.453
  164   2HD1  ILE  17          2HD1      ILE  17  -6.212   7.187  -1.756
  165   3HD1  ILE  17          3HD1      ILE  17  -6.133   6.725  -3.473
  166    H    ALA  18           H        ALA  18  -4.663   2.166   0.279
  167    HA   ALA  18           HA       ALA  18  -5.480   2.293   2.389
  168   1HB   ALA  18          1HB       ALA  18  -6.278   4.487   1.828
  169   2HB   ALA  18          2HB       ALA  18  -7.878   3.836   1.379
  170   3HB   ALA  18          3HB       ALA  18  -7.306   3.714   3.065
  171    H    ARG  19           H        ARG  19  -5.513  -0.078   2.159
  172    HA   ARG  19           HA       ARG  19  -6.287  -2.060   3.039
  173   1HB   ARG  19          1HB       ARG  19  -8.816  -0.737   4.116
  174   2HB   ARG  19          2HB       ARG  19  -8.315  -2.385   4.374
  175   1HG   ARG  19          1HG       ARG  19  -7.675  -1.441   6.364
  176   2HG   ARG  19          2HG       ARG  19  -6.152  -1.528   5.491
  177   1HD   ARG  19          1HD       ARG  19  -6.375   0.953   4.933
  178   2HD   ARG  19          2HD       ARG  19  -7.901   1.006   5.826
  179    HE   ARG  19           HE       ARG  19  -5.138   0.567   7.041
  180   1HH1  ARG  19          2HH1      ARG  19  -8.615   1.172   7.752
  181   2HH1  ARG  19          1HH1      ARG  19  -8.172   1.531   9.496
  182   1HH2  ARG  19          1HH2      ARG  19  -4.814   0.996   9.017
  183   2HH2  ARG  19          2HH2      ARG  19  -6.187   1.437  10.151
  184    H    ARG  20           H        ARG  20  -6.232  -2.219   0.536
  185    HA   ARG  20           HA       ARG  20  -6.929  -3.391  -1.284
  186   1HB   ARG  20          1HB       ARG  20  -9.440  -4.264   0.157
  187   2HB   ARG  20          2HB       ARG  20  -9.148  -4.655  -1.511
  188   1HG   ARG  20          1HG       ARG  20  -7.186  -5.456   0.752
  189   2HG   ARG  20          2HG       ARG  20  -8.628  -6.395   0.399
  190   1HD   ARG  20          1HD       ARG  20  -7.840  -6.839  -1.940
  191   2HD   ARG  20          2HD       ARG  20  -6.381  -5.891  -1.639
  192    HE   ARG  20           HE       ARG  20  -5.583  -7.606  -0.036
  193   1HH1  ARG  20          1HH1      ARG  20  -8.216 -10.444  -1.122
  194   2HH1  ARG  20          2HH1      ARG  20  -8.603  -8.728  -1.645
  195   1HH2  ARG  20          1HH2      ARG  20  -5.300  -9.571   0.468
  196   2HH2  ARG  20          2HH2      ARG  20  -6.491 -10.878  -0.019
  197    H    VAL  21           H        VAL  21 -10.243  -2.095  -0.775
  198    HA   VAL  21           HA       VAL  21 -10.075  -2.166  -3.584
  199    HB   VAL  21           HB       VAL  21 -12.455  -1.784  -3.800
  200   1HG1  VAL  21          1HG1      VAL  21 -11.574  -4.079  -3.434
  201   2HG1  VAL  21          2HG1      VAL  21 -11.901  -3.940  -1.692
  202   3HG1  VAL  21          3HG1      VAL  21 -13.247  -3.908  -2.868
  203   1HG2  VAL  21          1HG2      VAL  21 -12.975  -0.237  -1.881
  204   2HG2  VAL  21          2HG2      VAL  21 -14.078  -1.623  -1.944
  205   3HG2  VAL  21          3HG2      VAL  21 -12.757  -1.581  -0.740
  206    H    TYR  22          1H        TYR  22  -9.310  -0.070  -6.933
  207    H    TYR  22          2H        TYR  22  -8.558  -0.489  -4.183
  208    HA   TYR  22           HA       TYR  22  -9.787   2.196  -4.820
  209   1HB   TYR  22          1HB       TYR  22  -7.408   2.043  -4.462
  210   2HB   TYR  22          2HB       TYR  22  -7.198   1.014  -5.854
  211    HD1  TYR  22           HD1      TYR  22  -8.249   4.505  -4.739
  212    HD2  TYR  22           HD2      TYR  22  -7.040   2.088  -8.095
  213    HE1  TYR  22           HE1      TYR  22  -7.990   6.495  -6.113
  214    HE2  TYR  22           HE2      TYR  22  -6.800   4.099  -9.425
  215    HH   TYR  22           HH       TYR  22  -6.953   6.293  -9.499
   
  No H/Q in entry =         215
  Start of MODEL    4
    1    H    PRO   1           H        PRO   1  12.441   1.689  -2.896
    2    HA   PRO   1           HA       PRO   1  11.187   3.632  -3.243
    3   1HB   PRO   1          1HB       PRO   1   8.827   1.624  -3.383
    4   2HB   PRO   1          2HB       PRO   1   8.777   3.257  -4.043
    5   1HG   PRO   1          1HG       PRO   1   9.441   1.198  -5.680
    6   2HG   PRO   1          2HG       PRO   1  10.392   2.706  -5.777
    7   1HD   PRO   1          1HD       PRO   1  11.301   0.069  -4.722
    8   2HD   PRO   1          2HD       PRO   1  12.242   1.535  -5.136
    9    H    GLN   2           H        GLN   2   8.445   3.263  -1.491
   10    HA   GLN   2           HA       GLN   2   9.931   3.669   1.143
   11   1HB   GLN   2          1HB       GLN   2   8.487   5.579   0.160
   12   2HB   GLN   2          2HB       GLN   2   7.084   4.541   0.431
   13   1HG   GLN   2          1HG       GLN   2   7.598   4.531   2.907
   14   2HG   GLN   2          2HG       GLN   2   8.979   5.582   2.609
   15   1HE2  GLN   2          1HE2      GLN   2   5.270   7.312   2.691
   16   2HE2  GLN   2          2HE2      GLN   2   5.517   5.508   2.913
   17    H    ASN   3           H        ASN   3  10.199   1.340   1.202
   18    HA   ASN   3           HA       ASN   3   9.901  -0.562   2.464
   19   1HB   ASN   3          1HB       ASN   3   7.373   0.612   3.664
   20   2HB   ASN   3          2HB       ASN   3   8.076  -0.915   4.161
   21   1HD2  ASN   3          1HD2      ASN   3  10.696   0.707   6.086
   22   2HD2  ASN   3          2HD2      ASN   3  10.109  -0.856   5.325
   23    H    ALA   4           H        ALA   4   9.644  -2.271   1.215
   24    HA   ALA   4           HA       ALA   4   8.787  -4.042   0.053
   25   1HB   ALA   4          1HB       ALA   4   7.645  -4.549   2.095
   26   2HB   ALA   4          2HB       ALA   4   6.198  -3.650   1.564
   27   3HB   ALA   4          3HB       ALA   4   6.716  -5.111   0.680
   28    H    LYS   5           H        LYS   5   9.125  -2.930  -1.959
   29    HA   LYS   5           HA       LYS   5   8.572  -2.916  -4.179
   30   1HB   LYS   5          1HB       LYS   5   7.057  -4.772  -3.851
   31   2HB   LYS   5          2HB       LYS   5   5.775  -3.692  -3.471
   32   1HG   LYS   5          1HG       LYS   5   5.150  -4.170  -5.612
   33   2HG   LYS   5          2HG       LYS   5   6.043  -2.686  -5.903
   34   1HD   LYS   5          1HD       LYS   5   8.090  -4.181  -6.526
   35   2HD   LYS   5          2HD       LYS   5   7.042  -5.587  -6.302
   36   1HE   LYS   5          1HE       LYS   5   5.521  -4.759  -8.150
   37   2HE   LYS   5          2HE       LYS   5   6.564  -3.343  -8.372
   38   1HZ   LYS   5          1HZ       LYS   5   8.406  -4.858  -8.900
   39   2HZ   LYS   5          2HZ       LYS   5   7.434  -6.178  -8.692
   40   3HZ   LYS   5          3HZ       LYS   5   7.132  -5.115  -9.920
   41    H    LEU   6           H        LEU   6   5.460  -1.155  -3.306
   42    HA   LEU   6           HA       LEU   6   6.865   1.356  -4.383
   43   1HB   LEU   6          1HB       LEU   6   3.980   0.516  -4.613
   44   2HB   LEU   6          2HB       LEU   6   4.530   2.114  -5.014
   45    HG   LEU   6           HG       LEU   6   5.637  -0.354  -6.479
   46   1HD1  LEU   6          1HD1      LEU   6   3.155  -0.315  -6.802
   47   2HD1  LEU   6          2HD1      LEU   6   3.235   1.365  -7.376
   48   3HD1  LEU   6          3HD1      LEU   6   3.977   0.046  -8.326
   49   1HD2  LEU   6          1HD2      LEU   6   7.013   1.737  -6.762
   50   2HD2  LEU   6          2HD2      LEU   6   6.303   1.228  -8.309
   51   3HD2  LEU   6          3HD2      LEU   6   5.602   2.604  -7.405
   52    H    LYS   7           H        LYS   7   3.787   1.537  -2.503
   53    HA   LYS   7           HA       LYS   7   5.384   3.147  -0.425
   54   1HB   LYS   7          1HB       LYS   7   2.745   3.909  -1.734
   55   2HB   LYS   7          2HB       LYS   7   3.438   4.746  -0.371
   56   1HG   LYS   7          1HG       LYS   7   4.728   4.624  -3.169
   57   2HG   LYS   7          2HG       LYS   7   3.585   5.851  -2.652
   58   1HD   LYS   7          1HD       LYS   7   5.237   6.543  -0.794
   59   2HD   LYS   7          2HD       LYS   7   6.363   5.373  -1.471
   60   1HE   LYS   7          1HE       LYS   7   7.117   7.401  -2.351
   61   2HE   LYS   7          2HE       LYS   7   6.277   6.680  -3.717
   62   1HZ   LYS   7          1HZ       LYS   7   5.174   8.785  -1.900
   63   2HZ   LYS   7          2HZ       LYS   7   5.716   9.020  -3.443
   64   3HZ   LYS   7          3HZ       LYS   7   4.353   8.127  -3.173
   65    H    ILE   8           H        ILE   8   5.329   1.343   0.949
   66    HA   ILE   8           HA       ILE   8   4.667   0.251   2.828
   67    HB   ILE   8           HB       ILE   8   1.992   1.655   3.061
   68   1HG1  ILE   8          1HG1      ILE   8   2.702  -0.419   4.628
   69   2HG1  ILE   8          2HG1      ILE   8   3.731   0.693   5.467
   70   1HG2  ILE   8          1HG2      ILE   8   3.743   3.441   2.827
   71   2HG2  ILE   8          2HG2      ILE   8   3.021   3.461   4.456
   72   3HG2  ILE   8          3HG2      ILE   8   4.645   2.762   4.207
   73   1HD1  ILE   8          1HD1      ILE   8   0.645   0.816   5.195
   74   2HD1  ILE   8          2HD1      ILE   8   1.575   0.299   6.628
   75   3HD1  ILE   8          3HD1      ILE   8   1.615   2.007   6.111
   76    H    LYS   9           H        LYS   9   4.646  -1.698   1.617
   77    HA   LYS   9           HA       LYS   9   3.880  -3.781   1.046
   78   1HB   LYS   9          1HB       LYS   9   2.803  -4.026   3.081
   79   2HB   LYS   9          2HB       LYS   9   1.470  -2.998   2.646
   80   1HG   LYS   9          1HG       LYS   9   0.616  -5.165   2.852
   81   2HG   LYS   9          2HG       LYS   9   0.508  -4.765   1.159
   82   1HD   LYS   9          1HD       LYS   9   2.717  -6.554   2.372
   83   2HD   LYS   9          2HD       LYS   9   1.141  -7.162   1.867
   84   1HE   LYS   9          1HE       LYS   9   1.568  -6.498  -0.502
   85   2HE   LYS   9          2HE       LYS   9   3.152  -5.842  -0.050
   86   1HZ   LYS   9          1HZ       LYS   9   2.316  -8.687   0.288
   87   2HZ   LYS   9          2HZ       LYS   9   3.337  -8.114  -0.878
   88   3HZ   LYS   9          3HZ       LYS   9   3.792  -8.076   0.710
   89    H    ARG  10           H        ARG  10   4.173  -3.378  -1.100
   90    HA   ARG  10           HA       ARG  10   3.746  -3.187  -3.306
   91   1HB   ARG  10          1HB       ARG  10   2.178  -5.340  -2.349
   92   2HB   ARG  10          2HB       ARG  10   1.032  -4.456  -3.322
   93   1HG   ARG  10          1HG       ARG  10   2.634  -4.574  -5.305
   94   2HG   ARG  10          2HG       ARG  10   3.799  -5.415  -4.288
   95   1HD   ARG  10          1HD       ARG  10   2.152  -7.335  -4.014
   96   2HD   ARG  10          2HD       ARG  10   1.011  -6.482  -5.070
   97    HE   ARG  10           HE       ARG  10   3.848  -7.205  -6.020
   98   1HH1  ARG  10          2HH1      ARG  10   0.329  -7.298  -6.787
   99   2HH1  ARG  10          1HH1      ARG  10   0.737  -7.960  -8.449
  100   1HH2  ARG  10          1HH2      ARG  10   4.126  -7.956  -7.896
  101   2HH2  ARG  10          2HH2      ARG  10   2.721  -8.302  -9.024
  102    HA   PRO  11           HA       PRO  11   1.296   0.464  -4.649
  103   1HB   PRO  11          1HB       PRO  11  -1.538  -0.755  -4.408
  104   2HB   PRO  11          2HB       PRO  11  -1.127   0.573  -5.462
  105   1HG   PRO  11          1HG       PRO  11  -1.136  -1.895  -6.523
  106   2HG   PRO  11          2HG       PRO  11   0.339  -0.926  -6.824
  107   1HD   PRO  11          1HD       PRO  11  -0.079  -3.159  -4.799
  108   2HD   PRO  11          2HD       PRO  11   1.373  -2.775  -5.764
  109    H    VAL  12           H        VAL  12  -1.073   1.914  -3.489
  110    HA   VAL  12           HA       VAL  12   0.658   2.899  -1.297
  111    HB   VAL  12           HB       VAL  12  -1.932   4.179  -2.280
  112   1HG1  VAL  12          1HG1      VAL  12  -1.221   5.032  -0.021
  113   2HG1  VAL  12          2HG1      VAL  12   0.346   5.544  -0.670
  114   3HG1  VAL  12          3HG1      VAL  12  -1.167   6.325  -1.229
  115   1HG2  VAL  12          1HG2      VAL  12  -0.258   4.091  -4.161
  116   2HG2  VAL  12          2HG2      VAL  12  -0.599   5.765  -3.694
  117   3HG2  VAL  12          3HG2      VAL  12   0.929   4.976  -3.190
  118    H    LYS  13           H        LYS  13   0.429   2.049   0.743
  119    HA   LYS  13           HA       LYS  13  -0.464   1.453   2.801
  120   1HB   LYS  13          1HB       LYS  13  -2.787   3.110   1.733
  121   2HB   LYS  13          2HB       LYS  13  -2.968   2.380   3.289
  122   1HG   LYS  13          1HG       LYS  13  -1.003   3.676   4.194
  123   2HG   LYS  13          2HG       LYS  13  -0.655   4.288   2.586
  124   1HD   LYS  13          1HD       LYS  13  -1.657   6.096   3.572
  125   2HD   LYS  13          2HD       LYS  13  -2.960   5.476   2.590
  126   1HE   LYS  13          1HE       LYS  13  -2.706   5.004   5.641
  127   2HE   LYS  13          2HE       LYS  13  -3.562   6.365   4.914
  128   1HZ   LYS  13          1HZ       LYS  13  -5.055   4.802   3.803
  129   2HZ   LYS  13          2HZ       LYS  13  -4.274   3.510   4.472
  130   3HZ   LYS  13          3HZ       LYS  13  -5.085   4.576   5.439
  131    H    VAL  14           H        VAL  14  -0.258  -0.747   1.840
  132    HA   VAL  14           HA       VAL  14  -0.823  -2.943   2.260
  133    HB   VAL  14           HB       VAL  14  -3.511  -2.214   3.463
  134   1HG1  VAL  14          1HG1      VAL  14  -3.405  -4.618   2.756
  135   2HG1  VAL  14          2HG1      VAL  14  -1.980  -4.883   3.778
  136   3HG1  VAL  14          3HG1      VAL  14  -3.559  -4.469   4.514
  137   1HG2  VAL  14          1HG2      VAL  14  -1.640  -1.199   4.793
  138   2HG2  VAL  14          2HG2      VAL  14  -2.504  -2.429   5.730
  139   3HG2  VAL  14          3HG2      VAL  14  -0.901  -2.796   5.019
  140    H    GLN  15           H        GLN  15  -0.653  -3.206  -0.015
  141    HA   GLN  15           HA       GLN  15  -1.255  -3.742  -2.195
  142   1HB   GLN  15          1HB       GLN  15  -3.882  -4.638  -0.892
  143   2HB   GLN  15          2HB       GLN  15  -3.557  -4.909  -2.584
  144   1HG   GLN  15          1HG       GLN  15  -1.627  -6.326  -2.115
  145   2HG   GLN  15          2HG       GLN  15  -1.809  -6.057  -0.379
  146   1HE2  GLN  15          1HE2      GLN  15  -4.471  -8.521  -0.146
  147   2HE2  GLN  15          2HE2      GLN  15  -3.450  -7.256   0.704
  148    HA   PRO  16           HA       PRO  16  -3.479  -0.039  -4.177
  149   1HB   PRO  16          1HB       PRO  16  -6.307  -1.305  -4.033
  150   2HB   PRO  16          2HB       PRO  16  -5.754  -0.140  -5.230
  151   1HG   PRO  16          1HG       PRO  16  -5.641  -2.756  -5.868
  152   2HG   PRO  16          2HG       PRO  16  -4.209  -1.740  -6.229
  153   1HD   PRO  16          1HD       PRO  16  -4.546  -3.778  -4.079
  154   2HD   PRO  16          2HD       PRO  16  -3.071  -3.189  -4.837
  155    H    ILE  17           H        ILE  17  -5.723   1.613  -3.691
  156    HA   ILE  17           HA       ILE  17  -4.229   2.912  -1.613
  157    HB   ILE  17           HB       ILE  17  -6.673   3.839  -3.202
  158   1HG1  ILE  17          1HG1      ILE  17  -3.762   4.899  -3.526
  159   2HG1  ILE  17          2HG1      ILE  17  -4.296   3.464  -4.338
  160   1HG2  ILE  17          1HG2      ILE  17  -6.634   5.144  -1.034
  161   2HG2  ILE  17          2HG2      ILE  17  -4.968   5.676  -1.376
  162   3HG2  ILE  17          3HG2      ILE  17  -6.308   6.192  -2.437
  163   1HD1  ILE  17          1HD1      ILE  17  -6.011   4.672  -5.656
  164   2HD1  ILE  17          2HD1      ILE  17  -5.516   6.206  -4.886
  165   3HD1  ILE  17          3HD1      ILE  17  -4.362   5.307  -5.902
  166    H    ALA  18           H        ALA  18  -4.464   2.632   0.622
  167    HA   ALA  18           HA       ALA  18  -5.345   2.781   2.696
  168   1HB   ALA  18          1HB       ALA  18  -6.212   4.897   1.976
  169   2HB   ALA  18          2HB       ALA  18  -7.771   4.154   1.529
  170   3HB   ALA  18          3HB       ALA  18  -7.242   4.161   3.233
  171    H    ARG  19           H        ARG  19  -5.279   0.417   2.735
  172    HA   ARG  19           HA       ARG  19  -6.046  -1.556   3.644
  173   1HB   ARG  19          1HB       ARG  19  -8.652  -0.204   4.452
  174   2HB   ARG  19          2HB       ARG  19  -8.244  -1.874   4.807
  175   1HG   ARG  19          1HG       ARG  19  -6.241  -1.133   6.116
  176   2HG   ARG  19          2HG       ARG  19  -6.622   0.551   5.804
  177   1HD   ARG  19          1HD       ARG  19  -8.554  -1.351   7.306
  178   2HD   ARG  19          2HD       ARG  19  -7.279  -0.436   8.099
  179    HE   ARG  19           HE       ARG  19  -8.831   1.485   6.598
  180   1HH1  ARG  19          2HH1      ARG  19  -9.363  -0.585   9.497
  181   2HH1  ARG  19          1HH1      ARG  19 -10.594   0.630  10.109
  182   1HH2  ARG  19          1HH2      ARG  19 -10.228   2.737   7.423
  183   2HH2  ARG  19          2HH2      ARG  19 -11.041   2.361   9.024
  184    H    ARG  20           H        ARG  20  -5.774  -1.806   1.181
  185    HA   ARG  20           HA       ARG  20  -6.114  -3.157  -0.517
  186   1HB   ARG  20          1HB       ARG  20  -7.020  -4.867   1.085
  187   2HB   ARG  20          2HB       ARG  20  -8.649  -4.409   0.613
  188   1HG   ARG  20          1HG       ARG  20  -8.052  -5.064  -1.812
  189   2HG   ARG  20          2HG       ARG  20  -6.474  -5.555  -1.232
  190   1HD   ARG  20          1HD       ARG  20  -7.640  -7.584  -1.390
  191   2HD   ARG  20          2HD       ARG  20  -7.674  -7.270   0.339
  192    HE   ARG  20           HE       ARG  20 -10.104  -6.261  -1.093
  193   1HH1  ARG  20          2HH1      ARG  20  -8.791  -9.210   0.506
  194   2HH1  ARG  20          1HH1      ARG  20 -10.504  -9.833   0.711
  195   1HH2  ARG  20          1HH2      ARG  20 -11.947  -7.100  -0.786
  196   2HH2  ARG  20          2HH2      ARG  20 -12.147  -8.729   0.036
  197    H    VAL  21           H        VAL  21  -9.672  -2.805  -0.815
  198    HA   VAL  21           HA       VAL  21  -8.848  -1.759  -3.486
  199    HB   VAL  21           HB       VAL  21 -11.692  -2.624  -2.709
  200   1HG1  VAL  21          1HG1      VAL  21 -11.562  -1.348  -4.866
  201   2HG1  VAL  21          2HG1      VAL  21 -10.438  -2.542  -5.541
  202   3HG1  VAL  21          3HG1      VAL  21 -12.121  -3.004  -5.137
  203   1HG2  VAL  21          1HG2      VAL  21 -10.184  -4.578  -2.296
  204   2HG2  VAL  21          2HG2      VAL  21 -11.281  -4.920  -3.637
  205   3HG2  VAL  21          3HG2      VAL  21  -9.567  -4.507  -3.960
  206    H    TYR  22          1H        TYR  22  -7.860   2.874  -4.876
  207    H    TYR  22          2H        TYR  22  -8.330   0.313  -2.160
  208    HA   TYR  22           HA       TYR  22 -10.027   2.010  -4.017
  209   1HB   TYR  22          1HB       TYR  22  -8.495   3.563  -1.953
  210   2HB   TYR  22          2HB       TYR  22  -9.295   4.135  -3.365
  211    HD1  TYR  22           HD1      TYR  22 -11.812   4.314  -3.452
  212    HD2  TYR  22           HD2      TYR  22  -9.869   2.705   0.045
  213    HE1  TYR  22           HE1      TYR  22 -13.865   4.539  -2.174
  214    HE2  TYR  22           HE2      TYR  22 -11.943   2.949   1.277
  215    HH   TYR  22           HH       TYR  22 -14.870   4.259  -0.236
   
  No H/Q in entry =         215
  Start of MODEL    5
    1    H    PRO   1           H        PRO   1  11.120   0.917  -1.581
    2    HA   PRO   1           HA       PRO   1  11.223   3.831  -2.040
    3   1HB   PRO   1          1HB       PRO   1   8.876   1.843  -2.383
    4   2HB   PRO   1          2HB       PRO   1   8.850   3.502  -2.964
    5   1HG   PRO   1          1HG       PRO   1   9.582   1.502  -4.656
    6   2HG   PRO   1          2HG       PRO   1  10.505   3.030  -4.677
    7   1HD   PRO   1          1HD       PRO   1  11.468   0.383  -3.736
    8   2HD   PRO   1          2HD       PRO   1  12.364   1.910  -3.993
    9    H    GLN   2           H        GLN   2   8.410   3.348  -0.421
   10    HA   GLN   2           HA       GLN   2   9.804   3.609   2.279
   11   1HB   GLN   2          1HB       GLN   2   8.347   5.582   1.325
   12   2HB   GLN   2          2HB       GLN   2   6.979   4.514   1.607
   13   1HG   GLN   2          1HG       GLN   2   7.005   5.951   3.483
   14   2HG   GLN   2          2HG       GLN   2   7.685   4.464   4.110
   15   1HE2  GLN   2          1HE2      GLN   2  10.055   7.823   4.089
   16   2HE2  GLN   2          2HE2      GLN   2   8.402   7.802   3.293
   17    H    ASN   3           H        ASN   3  10.038   1.283   2.243
   18    HA   ASN   3           HA       ASN   3   9.672  -0.665   3.411
   19   1HB   ASN   3          1HB       ASN   3   7.087   0.455   4.569
   20   2HB   ASN   3          2HB       ASN   3   7.833  -1.063   5.038
   21   1HD2  ASN   3          1HD2      ASN   3   9.453   2.375   6.564
   22   2HD2  ASN   3          2HD2      ASN   3   8.144   2.418   5.279
   23    H    ALA   4           H        ALA   4   9.451  -2.298   2.068
   24    HA   ALA   4           HA       ALA   4   8.620  -4.034   0.839
   25   1HB   ALA   4          1HB       ALA   4   7.379  -4.570   2.826
   26   2HB   ALA   4          2HB       ALA   4   5.943  -3.722   2.192
   27   3HB   ALA   4          3HB       ALA   4   6.590  -5.157   1.340
   28    H    LYS   5           H        LYS   5   9.054  -2.859  -1.074
   29    HA   LYS   5           HA       LYS   5   8.729  -2.649  -3.246
   30   1HB   LYS   5          1HB       LYS   5   7.109  -4.494  -3.187
   31   2HB   LYS   5          2HB       LYS   5   5.775  -3.351  -3.112
   32   1HG   LYS   5          1HG       LYS   5   6.482  -2.405  -5.357
   33   2HG   LYS   5          2HG       LYS   5   7.819  -3.552  -5.423
   34   1HD   LYS   5          1HD       LYS   5   6.209  -5.483  -5.425
   35   2HD   LYS   5          2HD       LYS   5   4.838  -4.370  -5.316
   36   1HE   LYS   5          1HE       LYS   5   5.449  -3.372  -7.554
   37   2HE   LYS   5          2HE       LYS   5   6.831  -4.476  -7.678
   38   1HZ   LYS   5          1HZ       LYS   5   3.980  -5.320  -7.449
   39   2HZ   LYS   5          2HZ       LYS   5   4.892  -5.354  -8.826
   40   3HZ   LYS   5          3HZ       LYS   5   5.267  -6.349  -7.562
   41    H    LEU   6           H        LEU   6   5.576  -0.951  -2.464
   42    HA   LEU   6           HA       LEU   6   6.972   1.579  -3.502
   43   1HB   LEU   6          1HB       LEU   6   4.034   1.089  -3.769
   44   2HB   LEU   6          2HB       LEU   6   4.964   2.379  -4.482
   45    HG   LEU   6           HG       LEU   6   5.193  -0.555  -5.399
   46   1HD1  LEU   6          1HD1      LEU   6   2.898   0.309  -5.850
   47   2HD1  LEU   6          2HD1      LEU   6   3.569   1.707  -6.723
   48   3HD1  LEU   6          3HD1      LEU   6   3.772   0.052  -7.365
   49   1HD2  LEU   6          1HD2      LEU   6   7.235   0.811  -5.974
   50   2HD2  LEU   6          2HD2      LEU   6   6.367   0.304  -7.437
   51   3HD2  LEU   6          3HD2      LEU   6   6.227   1.987  -6.846
   52    H    LYS   7           H        LYS   7   3.817   1.631  -1.787
   53    HA   LYS   7           HA       LYS   7   5.215   3.243   0.442
   54   1HB   LYS   7          1HB       LYS   7   2.733   3.866  -1.273
   55   2HB   LYS   7          2HB       LYS   7   2.868   4.563   0.291
   56   1HG   LYS   7          1HG       LYS   7   5.055   4.935  -1.870
   57   2HG   LYS   7          2HG       LYS   7   3.585   5.893  -1.846
   58   1HD   LYS   7          1HD       LYS   7   4.148   6.775   0.451
   59   2HD   LYS   7          2HD       LYS   7   5.616   5.818   0.438
   60   1HE   LYS   7          1HE       LYS   7   6.381   7.960  -0.116
   61   2HE   LYS   7          2HE       LYS   7   6.375   7.155  -1.678
   62   1HZ   LYS   7          1HZ       LYS   7   4.261   9.012  -0.659
   63   2HZ   LYS   7          2HZ       LYS   7   5.404   9.371  -1.798
   64   3HZ   LYS   7          3HZ       LYS   7   4.219   8.269  -2.135
   65    H    ILE   8           H        ILE   8   5.222   1.288   1.701
   66    HA   ILE   8           HA       ILE   8   4.559   0.047   3.398
   67    HB   ILE   8           HB       ILE   8   3.470   1.994   4.515
   68   1HG1  ILE   8          1HG1      ILE   8   2.563  -0.811   5.091
   69   2HG1  ILE   8          2HG1      ILE   8   3.328   0.368   6.132
   70   1HG2  ILE   8          1HG2      ILE   8   1.611   2.550   2.875
   71   2HG2  ILE   8          2HG2      ILE   8   0.775   1.033   3.289
   72   3HG2  ILE   8          3HG2      ILE   8   0.958   2.340   4.479
   73   1HD1  ILE   8          1HD1      ILE   8   1.155   1.603   6.473
   74   2HD1  ILE   8          2HD1      ILE   8   0.313   0.363   5.509
   75   3HD1  ILE   8          3HD1      ILE   8   1.105  -0.086   7.029
   76    H    LYS   9           H        LYS   9   4.535  -1.778   2.081
   77    HA   LYS   9           HA       LYS   9   3.821  -3.828   1.425
   78   1HB   LYS   9          1HB       LYS   9   2.442  -3.821   3.578
   79   2HB   LYS   9          2HB       LYS   9   1.045  -3.399   2.600
   80   1HG   LYS   9          1HG       LYS   9   1.449  -5.607   1.285
   81   2HG   LYS   9          2HG       LYS   9   2.736  -5.987   2.427
   82   1HD   LYS   9          1HD       LYS   9   0.994  -5.891   4.331
   83   2HD   LYS   9          2HD       LYS   9  -0.234  -5.571   3.114
   84   1HE   LYS   9          1HE       LYS   9  -0.491  -7.850   3.544
   85   2HE   LYS   9          2HE       LYS   9   0.372  -7.860   2.015
   86   1HZ   LYS   9          1HZ       LYS   9   1.591  -8.286   4.714
   87   2HZ   LYS   9          2HZ       LYS   9   1.296  -9.455   3.585
   88   3HZ   LYS   9          3HZ       LYS   9   2.438  -8.297   3.296
   89    H    ARG  10           H        ARG  10   4.058  -3.365  -0.728
   90    HA   ARG  10           HA       ARG  10   3.535  -3.345  -2.981
   91   1HB   ARG  10          1HB       ARG  10   0.930  -4.586  -1.979
   92   2HB   ARG  10          2HB       ARG  10   1.275  -4.405  -3.683
   93   1HG   ARG  10          1HG       ARG  10   3.381  -5.799  -3.433
   94   2HG   ARG  10          2HG       ARG  10   2.922  -6.093  -1.765
   95   1HD   ARG  10          1HD       ARG  10   2.221  -8.033  -2.936
   96   2HD   ARG  10          2HD       ARG  10   0.725  -7.164  -2.618
   97    HE   ARG  10           HE       ARG  10   2.171  -7.221  -5.335
   98   1HH1  ARG  10          2HH1      ARG  10  -0.972  -6.759  -3.643
   99   2HH1  ARG  10          1HH1      ARG  10  -1.794  -6.597  -5.275
  100   1HH2  ARG  10          1HH2      ARG  10   1.100  -7.053  -7.064
  101   2HH2  ARG  10          2HH2      ARG  10  -0.709  -6.751  -7.056
  102    HA   PRO  11           HA       PRO  11   1.580   0.659  -3.935
  103   1HB   PRO  11          1HB       PRO  11  -1.428   0.352  -4.094
  104   2HB   PRO  11          2HB       PRO  11  -0.330   1.197  -5.204
  105   1HG   PRO  11          1HG       PRO  11  -1.268  -1.237  -5.920
  106   2HG   PRO  11          2HG       PRO  11   0.465  -0.865  -6.165
  107   1HD   PRO  11          1HD       PRO  11  -0.790  -2.428  -3.847
  108   2HD   PRO  11          2HD       PRO  11   0.588  -2.843  -4.883
  109    H    VAL  12           H        VAL  12  -0.747   2.299  -2.921
  110    HA   VAL  12           HA       VAL  12   0.754   3.132  -0.541
  111    HB   VAL  12           HB       VAL  12  -1.762   4.411  -1.694
  112   1HG1  VAL  12          1HG1      VAL  12  -1.308   5.191   0.662
  113   2HG1  VAL  12          2HG1      VAL  12   0.314   5.738   0.207
  114   3HG1  VAL  12          3HG1      VAL  12  -1.138   6.530  -0.484
  115   1HG2  VAL  12          1HG2      VAL  12   0.114   4.419  -3.379
  116   2HG2  VAL  12          2HG2      VAL  12  -0.296   6.071  -2.891
  117   3HG2  VAL  12          3HG2      VAL  12   1.176   5.274  -2.250
  118    H    LYS  13           H        LYS  13   0.434   2.076   1.354
  119    HA   LYS  13           HA       LYS  13  -0.461   1.347   3.343
  120   1HB   LYS  13          1HB       LYS  13  -2.867   3.095   2.747
  121   2HB   LYS  13          2HB       LYS  13  -2.528   2.353   4.302
  122   1HG   LYS  13          1HG       LYS  13  -0.452   3.713   4.584
  123   2HG   LYS  13          2HG       LYS  13  -0.670   4.411   2.980
  124   1HD   LYS  13          1HD       LYS  13  -2.914   5.418   3.770
  125   2HD   LYS  13          2HD       LYS  13  -2.578   4.766   5.365
  126   1HE   LYS  13          1HE       LYS  13  -1.985   7.038   5.523
  127   2HE   LYS  13          2HE       LYS  13  -0.424   6.236   5.415
  128   1HZ   LYS  13          1HZ       LYS  13  -1.852   7.595   3.167
  129   2HZ   LYS  13          2HZ       LYS  13  -0.544   8.185   3.985
  130   3HZ   LYS  13          3HZ       LYS  13  -0.385   6.849   3.026
  131    H    VAL  14           H        VAL  14  -0.505  -0.799   2.403
  132    HA   VAL  14           HA       VAL  14  -1.351  -2.932   2.576
  133    HB   VAL  14           HB       VAL  14  -3.997  -1.939   3.657
  134   1HG1  VAL  14          1HG1      VAL  14  -4.166  -4.287   2.795
  135   2HG1  VAL  14          2HG1      VAL  14  -2.868  -4.807   3.889
  136   3HG1  VAL  14          3HG1      VAL  14  -4.427  -4.219   4.545
  137   1HG2  VAL  14          1HG2      VAL  14  -2.119  -1.267   5.169
  138   2HG2  VAL  14          2HG2      VAL  14  -3.206  -2.418   5.960
  139   3HG2  VAL  14          3HG2      VAL  14  -1.616  -2.960   5.340
  140    H    GLN  15           H        GLN  15  -1.012  -2.919   0.261
  141    HA   GLN  15           HA       GLN  15  -1.548  -3.616  -1.851
  142   1HB   GLN  15          1HB       GLN  15  -4.237  -4.442  -0.647
  143   2HB   GLN  15          2HB       GLN  15  -3.813  -4.790  -2.305
  144   1HG   GLN  15          1HG       GLN  15  -1.907  -6.166  -1.641
  145   2HG   GLN  15          2HG       GLN  15  -2.218  -5.824   0.066
  146   1HE2  GLN  15          1HE2      GLN  15  -4.861  -8.313   0.205
  147   2HE2  GLN  15          2HE2      GLN  15  -3.900  -7.014   1.076
  148    HA   PRO  16           HA       PRO  16  -3.680  -0.025  -4.018
  149   1HB   PRO  16          1HB       PRO  16  -6.559  -1.201  -3.871
  150   2HB   PRO  16          2HB       PRO  16  -5.985  -0.070  -5.085
  151   1HG   PRO  16          1HG       PRO  16  -5.921  -2.713  -5.639
  152   2HG   PRO  16          2HG       PRO  16  -4.482  -1.726  -6.050
  153   1HD   PRO  16          1HD       PRO  16  -4.789  -3.714  -3.858
  154   2HD   PRO  16          2HD       PRO  16  -3.329  -3.113  -4.631
  155    H    ILE  17           H        ILE  17  -5.515   1.831  -3.704
  156    HA   ILE  17           HA       ILE  17  -4.044   2.945  -1.584
  157    HB   ILE  17           HB       ILE  17  -6.225   4.245  -3.238
  158   1HG1  ILE  17          1HG1      ILE  17  -3.166   4.632  -3.753
  159   2HG1  ILE  17          2HG1      ILE  17  -4.010   3.279  -4.420
  160   1HG2  ILE  17          1HG2      ILE  17  -5.777   5.660  -1.189
  161   2HG2  ILE  17          2HG2      ILE  17  -4.049   5.752  -1.613
  162   3HG2  ILE  17          3HG2      ILE  17  -5.273   6.511  -2.668
  163   1HD1  ILE  17          1HD1      ILE  17  -5.521   4.696  -5.778
  164   2HD1  ILE  17          2HD1      ILE  17  -4.697   6.156  -5.163
  165   3HD1  ILE  17          3HD1      ILE  17  -3.794   4.967  -6.135
  166    H    ALA  18           H        ALA  18  -4.465   2.858   0.545
  167    HA   ALA  18           HA       ALA  18  -5.360   3.201   2.616
  168   1HB   ALA  18          1HB       ALA  18  -6.133   5.353   1.903
  169   2HB   ALA  18          2HB       ALA  18  -7.712   4.675   1.422
  170   3HB   ALA  18          3HB       ALA  18  -7.213   4.647   3.135
  171    H    ARG  19           H        ARG  19  -5.411   0.865   2.711
  172    HA   ARG  19           HA       ARG  19  -6.226  -0.988   3.665
  173   1HB   ARG  19          1HB       ARG  19  -7.326   0.565   5.274
  174   2HB   ARG  19          2HB       ARG  19  -8.855   0.317   4.445
  175   1HG   ARG  19          1HG       ARG  19  -8.778  -2.141   4.983
  176   2HG   ARG  19          2HG       ARG  19  -7.199  -1.944   5.741
  177   1HD   ARG  19          1HD       ARG  19  -8.197  -0.431   7.488
  178   2HD   ARG  19          2HD       ARG  19  -9.793  -0.608   6.736
  179    HE   ARG  19           HE       ARG  19  -9.854  -2.992   7.401
  180   1HH1  ARG  19          2HH1      ARG  19  -6.962  -1.384   8.822
  181   2HH1  ARG  19          1HH1      ARG  19  -6.816  -2.763  10.024
  182   1HH2  ARG  19          1HH2      ARG  19  -9.551  -4.448   8.808
  183   2HH2  ARG  19          2HH2      ARG  19  -8.169  -4.359  10.013
  184    H    ARG  20           H        ARG  20  -6.005  -1.388   1.215
  185    HA   ARG  20           HA       ARG  20  -6.402  -2.908  -0.390
  186   1HB   ARG  20          1HB       ARG  20  -8.848  -3.977   1.067
  187   2HB   ARG  20          2HB       ARG  20  -8.218  -4.621  -0.441
  188   1HG   ARG  20          1HG       ARG  20  -6.041  -5.222   0.684
  189   2HG   ARG  20          2HG       ARG  20  -6.635  -4.553   2.204
  190   1HD   ARG  20          1HD       ARG  20  -8.496  -6.281   2.238
  191   2HD   ARG  20          2HD       ARG  20  -7.888  -6.955   0.714
  192    HE   ARG  20           HE       ARG  20  -5.609  -7.018   2.368
  193   1HH1  ARG  20          2HH1      ARG  20  -8.902  -8.385   2.891
  194   2HH1  ARG  20          1HH1      ARG  20  -8.166  -9.682   3.961
  195   1HH2  ARG  20          1HH2      ARG  20  -4.954  -8.530   3.584
  196   2HH2  ARG  20          2HH2      ARG  20  -6.107  -9.753   4.319
  197    H    VAL  21           H        VAL  21  -9.933  -2.629  -0.668
  198    HA   VAL  21           HA       VAL  21  -9.176  -1.614  -3.376
  199    HB   VAL  21           HB       VAL  21 -11.936  -2.660  -2.520
  200   1HG1  VAL  21          1HG1      VAL  21 -12.014  -1.316  -4.632
  201   2HG1  VAL  21          2HG1      VAL  21 -10.827  -2.386  -5.399
  202   3HG1  VAL  21          3HG1      VAL  21 -12.443  -3.005  -4.936
  203   1HG2  VAL  21          1HG2      VAL  21 -10.201  -4.482  -2.253
  204   2HG2  VAL  21          2HG2      VAL  21 -11.371  -4.889  -3.518
  205   3HG2  VAL  21          3HG2      VAL  21  -9.729  -4.318  -3.954
  206    H    TYR  22          1H        TYR  22  -8.989   2.748  -4.641
  207    H    TYR  22          2H        TYR  22  -8.658   0.584  -2.636
  208    HA   TYR  22           HA       TYR  22 -10.833   2.843  -2.277
  209   1HB   TYR  22          1HB       TYR  22  -8.976   3.581  -1.235
  210   2HB   TYR  22          2HB       TYR  22  -7.975   3.252  -2.621
  211    HD1  TYR  22           HD1      TYR  22 -10.681   5.470  -1.361
  212    HD2  TYR  22           HD2      TYR  22  -8.024   4.617  -4.632
  213    HE1  TYR  22           HE1      TYR  22 -11.067   7.729  -2.279
  214    HE2  TYR  22           HE2      TYR  22  -8.422   6.865  -5.539
  215    HH   TYR  22           HH       TYR  22  -9.479   8.791  -5.270
   
  No H/Q in entry =         215
  Start of MODEL    6
    1    H    PRO   1           H        PRO   1  11.566  -0.630  -1.738
    2    HA   PRO   1           HA       PRO   1   9.839   1.222  -2.424
    3   1HB   PRO   1          1HB       PRO   1   7.831   1.059  -0.589
    4   2HB   PRO   1          2HB       PRO   1   7.797   0.159  -2.251
    5   1HG   PRO   1          1HG       PRO   1   8.865  -0.941   0.459
    6   2HG   PRO   1          2HG       PRO   1   7.437  -1.518  -0.633
    7   1HD   PRO   1          1HD       PRO   1  10.067  -2.419  -0.599
    8   2HD   PRO   1          2HD       PRO   1   9.139  -2.224  -2.182
    9    H    GLN   2           H        GLN   2   8.668   2.898  -0.379
   10    HA   GLN   2           HA       GLN   2  10.133   2.588   2.168
   11   1HB   GLN   2          1HB       GLN   2   7.649   4.222   1.380
   12   2HB   GLN   2          2HB       GLN   2   8.283   4.188   3.013
   13   1HG   GLN   2          1HG       GLN   2  10.479   5.140   2.251
   14   2HG   GLN   2          2HG       GLN   2   9.873   5.203   0.599
   15   1HE2  GLN   2          1HE2      GLN   2   8.675   8.166   3.151
   16   2HE2  GLN   2          2HE2      GLN   2   9.769   6.793   3.685
   17    H    ASN   3           H        ASN   3   9.804   0.289   2.295
   18    HA   ASN   3           HA       ASN   3   9.173  -1.422   3.710
   19   1HB   ASN   3          1HB       ASN   3   8.427   0.360   5.394
   20   2HB   ASN   3          2HB       ASN   3   6.784   0.038   4.889
   21   1HD2  ASN   3          1HD2      ASN   3   8.638  -2.708   7.335
   22   2HD2  ASN   3          2HD2      ASN   3   9.574  -1.341   6.547
   23    H    ALA   4           H        ALA   4   8.550  -3.081   2.550
   24    HA   ALA   4           HA       ALA   4   7.408  -4.659   1.388
   25   1HB   ALA   4          1HB       ALA   4   6.069  -4.804   3.397
   26   2HB   ALA   4          2HB       ALA   4   4.817  -3.774   2.650
   27   3HB   ALA   4          3HB       ALA   4   5.225  -5.361   1.929
   28    H    LYS   5           H        LYS   5   8.083  -3.682  -0.588
   29    HA   LYS   5           HA       LYS   5   7.761  -3.586  -2.785
   30   1HB   LYS   5          1HB       LYS   5   5.904  -5.102  -2.584
   31   2HB   LYS   5          2HB       LYS   5   4.739  -3.805  -2.554
   32   1HG   LYS   5          1HG       LYS   5   6.725  -4.336  -4.893
   33   2HG   LYS   5          2HG       LYS   5   5.228  -5.238  -4.733
   34   1HD   LYS   5          1HD       LYS   5   3.844  -3.190  -4.969
   35   2HD   LYS   5          2HD       LYS   5   5.288  -2.186  -5.039
   36   1HE   LYS   5          1HE       LYS   5   6.007  -3.284  -7.169
   37   2HE   LYS   5          2HE       LYS   5   4.589  -4.352  -7.119
   38   1HZ   LYS   5          1HZ       LYS   5   4.487  -1.379  -7.270
   39   2HZ   LYS   5          2HZ       LYS   5   4.191  -2.422  -8.516
   40   3HZ   LYS   5          3HZ       LYS   5   3.169  -2.373  -7.219
   41    H    LEU   6           H        LEU   6   4.981  -1.288  -2.079
   42    HA   LEU   6           HA       LEU   6   6.969   0.962  -2.831
   43   1HB   LEU   6          1HB       LEU   6   3.992   0.764  -3.412
   44   2HB   LEU   6          2HB       LEU   6   4.862   2.250  -3.535
   45    HG   LEU   6           HG       LEU   6   5.851  -0.124  -5.236
   46   1HD1  LEU   6          1HD1      LEU   6   3.401   0.002  -5.692
   47   2HD1  LEU   6          2HD1      LEU   6   3.558   1.724  -6.109
   48   3HD1  LEU   6          3HD1      LEU   6   4.343   0.466  -7.114
   49   1HD2  LEU   6          1HD2      LEU   6   7.303   1.880  -5.166
   50   2HD2  LEU   6          2HD2      LEU   6   6.698   1.559  -6.805
   51   3HD2  LEU   6          3HD2      LEU   6   5.981   2.878  -5.823
   52    H    LYS   7           H        LYS   7   3.879   1.942  -1.309
   53    HA   LYS   7           HA       LYS   7   5.697   2.814   1.000
   54   1HB   LYS   7          1HB       LYS   7   5.021   4.492  -0.791
   55   2HB   LYS   7          2HB       LYS   7   3.338   4.260  -0.322
   56   1HG   LYS   7          1HG       LYS   7   3.934   5.118   2.009
   57   2HG   LYS   7          2HG       LYS   7   5.603   5.341   1.481
   58   1HD   LYS   7          1HD       LYS   7   4.819   7.013  -0.272
   59   2HD   LYS   7          2HD       LYS   7   3.151   6.787   0.261
   60   1HE   LYS   7          1HE       LYS   7   3.760   7.677   2.556
   61   2HE   LYS   7          2HE       LYS   7   5.436   7.904   2.020
   62   1HZ   LYS   7          1HZ       LYS   7   4.614   9.426   0.297
   63   2HZ   LYS   7          2HZ       LYS   7   3.054   9.215   0.796
   64   3HZ   LYS   7          3HZ       LYS   7   4.150   9.941   1.797
   65    H    ILE   8           H        ILE   8   5.166   0.944   2.165
   66    HA   ILE   8           HA       ILE   8   4.334   0.004   3.999
   67    HB   ILE   8           HB       ILE   8   3.770   2.252   5.024
   68   1HG1  ILE   8          1HG1      ILE   8   2.416  -0.300   5.883
   69   2HG1  ILE   8          2HG1      ILE   8   3.528   0.737   6.747
   70   1HG2  ILE   8          1HG2      ILE   8   1.880   3.026   3.512
   71   2HG2  ILE   8          2HG2      ILE   8   0.844   1.709   4.113
   72   3HG2  ILE   8          3HG2      ILE   8   1.362   3.033   5.178
   73   1HD1  ILE   8          1HD1      ILE   8   1.714   2.420   7.236
   74   2HD1  ILE   8          2HD1      ILE   8   0.523   1.344   6.461
   75   3HD1  ILE   8          3HD1      ILE   8   1.386   0.809   7.913
   76    H    LYS   9           H        LYS   9   3.794  -1.805   2.824
   77    HA   LYS   9           HA       LYS   9   2.570  -3.591   2.205
   78   1HB   LYS   9          1HB       LYS   9  -0.048  -2.419   3.428
   79   2HB   LYS   9          2HB       LYS   9   0.008  -3.868   2.529
   80   1HG   LYS   9          1HG       LYS   9   1.932  -3.570   4.928
   81   2HG   LYS   9          2HG       LYS   9   0.233  -3.927   5.170
   82   1HD   LYS   9          1HD       LYS   9   0.333  -5.990   3.835
   83   2HD   LYS   9          2HD       LYS   9   2.024  -5.712   3.435
   84   1HE   LYS   9          1HE       LYS   9   2.638  -5.896   5.898
   85   2HE   LYS   9          2HE       LYS   9   0.933  -6.185   6.294
   86   1HZ   LYS   9          1HZ       LYS   9   2.588  -7.896   4.495
   87   2HZ   LYS   9          2HZ       LYS   9   2.150  -8.265   6.045
   88   3HZ   LYS   9          3HZ       LYS   9   1.000  -8.165   4.863
   89    H    ARG  10           H        ARG  10   3.077  -3.387   0.071
   90    HA   ARG  10           HA       ARG  10   2.618  -3.591  -2.111
   91   1HB   ARG  10          1HB       ARG  10   0.174  -4.478  -0.931
   92   2HB   ARG  10          2HB       ARG  10  -0.395  -3.316  -2.045
   93   1HG   ARG  10          1HG       ARG  10  -0.474  -5.239  -3.341
   94   2HG   ARG  10          2HG       ARG  10   1.056  -4.606  -3.898
   95   1HD   ARG  10          1HD       ARG  10   0.589  -6.921  -1.915
   96   2HD   ARG  10          2HD       ARG  10   1.134  -7.057  -3.578
   97    HE   ARG  10           HE       ARG  10   3.391  -6.360  -2.922
   98   1HH1  ARG  10          2HH1      ARG  10   1.253  -6.214  -0.022
   99   2HH1  ARG  10          1HH1      ARG  10   2.740  -6.116   1.048
  100   1HH2  ARG  10          1HH2      ARG  10   4.956  -6.279  -1.559
  101   2HH2  ARG  10          2HH2      ARG  10   4.656  -6.150   0.247
  102    HA   PRO  11           HA       PRO  11   1.352   0.959  -3.690
  103   1HB   PRO  11          1HB       PRO  11  -1.515  -0.153  -3.270
  104   2HB   PRO  11          2HB       PRO  11  -1.217   1.248  -4.238
  105   1HG   PRO  11          1HG       PRO  11  -1.340  -1.086  -5.541
  106   2HG   PRO  11          2HG       PRO  11   0.097  -0.074  -5.891
  107   1HD   PRO  11          1HD       PRO  11  -0.081  -2.581  -4.265
  108   2HD   PRO  11          2HD       PRO  11   1.348  -1.887  -5.088
  109    H    VAL  12           H        VAL  12  -0.791   2.510  -2.508
  110    HA   VAL  12           HA       VAL  12   0.906   3.506  -0.329
  111    HB   VAL  12           HB       VAL  12  -1.731   4.659  -1.362
  112   1HG1  VAL  12          1HG1      VAL  12  -0.996   5.709   0.819
  113   2HG1  VAL  12          2HG1      VAL  12   0.544   6.214   0.106
  114   3HG1  VAL  12          3HG1      VAL  12  -0.999   6.919  -0.473
  115   1HG2  VAL  12          1HG2      VAL  12  -0.079   4.529  -3.271
  116   2HG2  VAL  12          2HG2      VAL  12  -0.465   6.217  -2.906
  117   3HG2  VAL  12          3HG2      VAL  12   1.096   5.508  -2.381
  118    H    LYS  13           H        LYS  13   0.662   2.656   1.815
  119    HA   LYS  13           HA       LYS  13  -0.281   2.400   3.891
  120   1HB   LYS  13          1HB       LYS  13  -1.246   4.764   3.103
  121   2HB   LYS  13          2HB       LYS  13  -2.825   3.947   3.020
  122   1HG   LYS  13          1HG       LYS  13  -2.674   3.421   5.480
  123   2HG   LYS  13          2HG       LYS  13  -1.072   4.153   5.576
  124   1HD   LYS  13          1HD       LYS  13  -1.993   6.377   4.957
  125   2HD   LYS  13          2HD       LYS  13  -3.604   5.741   4.723
  126   1HE   LYS  13          1HE       LYS  13  -2.166   5.738   7.448
  127   2HE   LYS  13          2HE       LYS  13  -3.209   7.028   6.860
  128   1HZ   LYS  13          1HZ       LYS  13  -5.060   5.466   6.742
  129   2HZ   LYS  13          2HZ       LYS  13  -4.115   4.229   7.294
  130   3HZ   LYS  13          3HZ       LYS  13  -4.437   5.522   8.271
  131    H    VAL  14           H        VAL  14  -0.565   0.101   3.730
  132    HA   VAL  14           HA       VAL  14  -2.558  -1.910   4.363
  133    HB   VAL  14           HB       VAL  14  -4.405  -1.664   2.772
  134   1HG1  VAL  14          1HG1      VAL  14  -4.182  -2.005   5.845
  135   2HG1  VAL  14          2HG1      VAL  14  -5.624  -2.360   4.861
  136   3HG1  VAL  14          3HG1      VAL  14  -4.169  -3.315   4.640
  137   1HG2  VAL  14          1HG2      VAL  14  -4.563   0.813   3.283
  138   2HG2  VAL  14          2HG2      VAL  14  -5.882  -0.104   4.019
  139   3HG2  VAL  14          3HG2      VAL  14  -4.524   0.459   5.027
  140    H    GLN  15           H        GLN  15  -1.319  -2.365   1.975
  141    HA   GLN  15           HA       GLN  15  -2.278  -4.079   0.042
  142   1HB   GLN  15          1HB       GLN  15  -4.587  -3.827   0.868
  143   2HB   GLN  15          2HB       GLN  15  -4.668  -2.388  -0.145
  144   1HG   GLN  15          1HG       GLN  15  -3.733  -5.114  -1.294
  145   2HG   GLN  15          2HG       GLN  15  -5.430  -4.717  -1.174
  146   1HE2  GLN  15          1HE2      GLN  15  -5.087  -3.517  -4.491
  147   2HE2  GLN  15          2HE2      GLN  15  -5.892  -4.679  -3.301
  148    HA   PRO  16           HA       PRO  16  -3.397  -0.236  -3.038
  149   1HB   PRO  16          1HB       PRO  16  -6.159  -1.630  -2.875
  150   2HB   PRO  16          2HB       PRO  16  -5.641  -0.555  -4.140
  151   1HG   PRO  16          1HG       PRO  16  -5.371  -3.230  -4.460
  152   2HG   PRO  16          2HG       PRO  16  -4.004  -2.181  -4.947
  153   1HD   PRO  16          1HD       PRO  16  -4.150  -4.019  -2.618
  154   2HD   PRO  16          2HD       PRO  16  -2.753  -3.301  -3.406
  155    H    ILE  17           H        ILE  17  -5.375   1.535  -2.845
  156    HA   ILE  17           HA       ILE  17  -3.982   2.868  -0.818
  157    HB   ILE  17           HB       ILE  17  -6.371   3.886  -2.354
  158   1HG1  ILE  17          1HG1      ILE  17  -3.412   4.593  -3.078
  159   2HG1  ILE  17          2HG1      ILE  17  -4.132   3.131  -3.655
  160   1HG2  ILE  17          1HG2      ILE  17  -5.948   5.387  -0.364
  161   2HG2  ILE  17          2HG2      ILE  17  -4.268   5.647  -0.897
  162   3HG2  ILE  17          3HG2      ILE  17  -5.628   6.251  -1.885
  163   1HD1  ILE  17          1HD1      ILE  17  -5.885   4.319  -4.938
  164   2HD1  ILE  17          2HD1      ILE  17  -5.203   5.884  -4.415
  165   3HD1  ILE  17          3HD1      ILE  17  -4.230   4.780  -5.420
  166    H    ALA  18           H        ALA  18  -4.304   2.451   1.405
  167    HA   ALA  18           HA       ALA  18  -5.549   3.160   3.621
  168   1HB   ALA  18          1HB       ALA  18  -7.953   3.448   1.911
  169   2HB   ALA  18          2HB       ALA  18  -7.977   3.259   3.680
  170   3HB   ALA  18          3HB       ALA  18  -7.116   4.628   2.937
  171    H    ARG  19           H        ARG  19  -5.371   0.555   3.627
  172    HA   ARG  19           HA       ARG  19  -6.245  -1.343   4.727
  173   1HB   ARG  19          1HB       ARG  19  -7.701   0.364   5.960
  174   2HB   ARG  19          2HB       ARG  19  -8.995  -0.055   4.873
  175   1HG   ARG  19          1HG       ARG  19  -9.577  -1.311   6.680
  176   2HG   ARG  19          2HG       ARG  19  -8.768  -2.531   5.720
  177   1HD   ARG  19          1HD       ARG  19  -7.438  -1.017   8.070
  178   2HD   ARG  19          2HD       ARG  19  -8.350  -2.509   8.257
  179    HE   ARG  19           HE       ARG  19  -6.334  -3.051   6.255
  180   1HH1  ARG  19          2HH1      ARG  19  -6.345  -2.384   9.796
  181   2HH1  ARG  19          1HH1      ARG  19  -4.783  -3.334   9.955
  182   1HH2  ARG  19          1HH2      ARG  19  -4.595  -4.077   6.608
  183   2HH2  ARG  19          2HH2      ARG  19  -3.875  -4.215   8.290
  184    H    ARG  20           H        ARG  20  -5.711  -1.970   2.360
  185    HA   ARG  20           HA       ARG  20  -5.892  -3.463   0.696
  186   1HB   ARG  20          1HB       ARG  20  -8.370  -4.647   2.022
  187   2HB   ARG  20          2HB       ARG  20  -7.650  -5.266   0.548
  188   1HG   ARG  20          1HG       ARG  20  -5.479  -5.719   1.784
  189   2HG   ARG  20          2HG       ARG  20  -6.217  -5.101   3.252
  190   1HD   ARG  20          1HD       ARG  20  -6.371  -7.429   3.510
  191   2HD   ARG  20          2HD       ARG  20  -8.010  -6.995   3.047
  192    HE   ARG  20           HE       ARG  20  -6.283  -7.815   0.735
  193   1HH1  ARG  20          2HH1      ARG  20  -8.526  -9.153   3.215
  194   2HH1  ARG  20          1HH1      ARG  20  -8.768 -10.636   2.162
  195   1HH2  ARG  20          1HH2      ARG  20  -6.662  -9.533  -0.316
  196   2HH2  ARG  20          2HH2      ARG  20  -7.794 -10.829   0.322
  197    H    VAL  21           H        VAL  21  -9.455  -3.317   0.318
  198    HA   VAL  21           HA       VAL  21  -8.939  -2.091  -2.404
  199    HB   VAL  21           HB       VAL  21 -11.454  -3.497  -1.399
  200   1HG1  VAL  21          1HG1      VAL  21 -11.956  -1.940  -3.297
  201   2HG1  VAL  21          2HG1      VAL  21 -10.774  -2.762  -4.330
  202   3HG1  VAL  21          3HG1      VAL  21 -12.238  -3.625  -3.762
  203   1HG2  VAL  21          1HG2      VAL  21  -9.509  -5.100  -1.572
  204   2HG2  VAL  21          2HG2      VAL  21 -10.780  -5.508  -2.736
  205   3HG2  VAL  21          3HG2      VAL  21  -9.284  -4.685  -3.280
  206    H    TYR  22          1H        TYR  22  -9.425   2.009  -3.457
  207    H    TYR  22          2H        TYR  22  -8.479   0.072  -1.634
  208    HA   TYR  22           HA       TYR  22 -10.659   2.121  -0.648
  209   1HB   TYR  22          1HB       TYR  22  -8.636   2.880   0.012
  210   2HB   TYR  22          2HB       TYR  22  -8.032   2.830  -1.620
  211    HD1  TYR  22           HD1      TYR  22  -8.923   4.356  -3.399
  212    HD2  TYR  22           HD2      TYR  22 -10.308   4.594   0.664
  213    HE1  TYR  22           HE1      TYR  22  -9.847   6.604  -3.834
  214    HE2  TYR  22           HE2      TYR  22 -11.217   6.833   0.221
  215    HH   TYR  22           HH       TYR  22 -11.503   8.432  -1.283
   
  No H/Q in entry =         215
  Start of MODEL    7
    1    H    PRO   1           H        PRO   1  11.110   1.432  -2.624
    2    HA   PRO   1           HA       PRO   1  10.991   3.700  -2.216
    3   1HB   PRO   1          1HB       PRO   1   7.992   3.453  -2.876
    4   2HB   PRO   1          2HB       PRO   1   8.985   4.931  -2.960
    5   1HG   PRO   1          1HG       PRO   1   8.556   3.403  -5.194
    6   2HG   PRO   1          2HG       PRO   1  10.163   4.125  -4.899
    7   1HD   PRO   1          1HD       PRO   1   9.423   1.244  -4.753
    8   2HD   PRO   1          2HD       PRO   1  11.021   1.999  -4.815
    9    H    GLN   2           H        GLN   2   8.020   3.871  -0.572
   10    HA   GLN   2           HA       GLN   2   9.590   3.660   1.950
   11   1HB   GLN   2          1HB       GLN   2   8.140   5.696   1.194
   12   2HB   GLN   2          2HB       GLN   2   6.744   4.684   1.527
   13   1HG   GLN   2          1HG       GLN   2   6.994   6.098   3.416
   14   2HG   GLN   2          2HG       GLN   2   7.557   4.537   3.984
   15   1HE2  GLN   2          1HE2      GLN   2  10.907   5.839   4.585
   16   2HE2  GLN   2          2HE2      GLN   2   9.845   4.349   4.450
   17    H    ASN   3           H        ASN   3   9.720   1.352   1.835
   18    HA   ASN   3           HA       ASN   3   9.487  -0.552   3.097
   19   1HB   ASN   3          1HB       ASN   3   8.398   0.918   4.902
   20   2HB   ASN   3          2HB       ASN   3   6.861   0.261   4.395
   21   1HD2  ASN   3          1HD2      ASN   3   9.351  -2.135   6.635
   22   2HD2  ASN   3          2HD2      ASN   3   9.934  -0.546   5.927
   23    H    ALA   4           H        ALA   4   9.232  -2.185   1.787
   24    HA   ALA   4           HA       ALA   4   8.419  -3.953   0.601
   25   1HB   ALA   4          1HB       ALA   4   7.272  -4.491   2.668
   26   2HB   ALA   4          2HB       ALA   4   5.771  -3.767   2.031
   27   3HB   ALA   4          3HB       ALA   4   6.508  -5.179   1.213
   28    H    LYS   5           H        LYS   5   8.720  -2.761  -1.327
   29    HA   LYS   5           HA       LYS   5   8.279  -2.499  -3.490
   30   1HB   LYS   5          1HB       LYS   5   6.637  -4.392  -3.392
   31   2HB   LYS   5          2HB       LYS   5   5.362  -3.218  -3.243
   32   1HG   LYS   5          1HG       LYS   5   5.230  -3.670  -5.504
   33   2HG   LYS   5          2HG       LYS   5   6.151  -2.181  -5.507
   34   1HD   LYS   5          1HD       LYS   5   8.295  -3.630  -5.746
   35   2HD   LYS   5          2HD       LYS   5   7.258  -5.055  -5.828
   36   1HE   LYS   5          1HE       LYS   5   6.147  -4.116  -7.922
   37   2HE   LYS   5          2HE       LYS   5   7.203  -2.694  -7.828
   38   1HZ   LYS   5          1HZ       LYS   5   9.129  -4.185  -8.029
   39   2HZ   LYS   5          2HZ       LYS   5   8.147  -5.510  -8.115
   40   3HZ   LYS   5          3HZ       LYS   5   8.111  -4.377  -9.316
   41    H    LEU   6           H        LEU   6   5.095  -0.917  -2.701
   42    HA   LEU   6           HA       LEU   6   6.435   1.637  -3.708
   43   1HB   LEU   6          1HB       LEU   6   3.557   0.787  -3.849
   44   2HB   LEU   6          2HB       LEU   6   4.110   2.371  -4.318
   45    HG   LEU   6           HG       LEU   6   5.210  -0.137  -5.727
   46   1HD1  LEU   6          1HD1      LEU   6   2.724  -0.211  -5.966
   47   2HD1  LEU   6          2HD1      LEU   6   2.722   1.432  -6.646
   48   3HD1  LEU   6          3HD1      LEU   6   3.499   0.085  -7.527
   49   1HD2  LEU   6          1HD2      LEU   6   6.501   1.974  -6.135
   50   2HD2  LEU   6          2HD2      LEU   6   5.776   1.355  -7.633
   51   3HD2  LEU   6          3HD2      LEU   6   5.046   2.757  -6.794
   52    H    LYS   7           H        LYS   7   3.408   1.794  -1.715
   53    HA   LYS   7           HA       LYS   7   5.141   3.071   0.487
   54   1HB   LYS   7          1HB       LYS   7   4.026   4.731  -1.097
   55   2HB   LYS   7          2HB       LYS   7   2.460   4.104  -0.605
   56   1HG   LYS   7          1HG       LYS   7   2.956   4.838   1.757
   57   2HG   LYS   7          2HG       LYS   7   4.523   5.449   1.267
   58   1HD   LYS   7          1HD       LYS   7   1.871   6.511   0.077
   59   2HD   LYS   7          2HD       LYS   7   2.512   7.103   1.583
   60   1HE   LYS   7          1HE       LYS   7   4.114   7.290  -1.040
   61   2HE   LYS   7          2HE       LYS   7   2.954   8.516  -0.527
   62   1HZ   LYS   7          1HZ       LYS   7   4.268   8.871   1.492
   63   2HZ   LYS   7          2HZ       LYS   7   5.368   7.729   1.029
   64   3HZ   LYS   7          3HZ       LYS   7   5.190   9.112   0.143
   65    H    ILE   8           H        ILE   8   5.079   1.145   1.628
   66    HA   ILE   8           HA       ILE   8   4.458  -0.116   3.464
   67    HB   ILE   8           HB       ILE   8   1.945   1.516   3.827
   68   1HG1  ILE   8          1HG1      ILE   8   2.238  -0.801   5.151
   69   2HG1  ILE   8          2HG1      ILE   8   3.408   0.015   6.135
   70   1HG2  ILE   8          1HG2      ILE   8   3.971   3.008   3.842
   71   2HG2  ILE   8          2HG2      ILE   8   3.209   2.956   5.451
   72   3HG2  ILE   8          3HG2      ILE   8   4.701   2.027   5.140
   73   1HD1  ILE   8          1HD1      ILE   8   0.400   0.714   5.820
   74   2HD1  ILE   8          2HD1      ILE   8   1.165  -0.111   7.207
   75   3HD1  ILE   8          3HD1      ILE   8   1.524   1.607   6.882
   76    H    LYS   9           H        LYS   9   4.388  -1.885   1.997
   77    HA   LYS   9           HA       LYS   9   3.622  -3.915   1.294
   78   1HB   LYS   9          1HB       LYS   9   1.407  -3.329   3.235
   79   2HB   LYS   9          2HB       LYS   9   0.956  -4.498   2.055
   80   1HG   LYS   9          1HG       LYS   9   3.512  -4.769   3.778
   81   2HG   LYS   9          2HG       LYS   9   1.918  -5.233   4.359
   82   1HD   LYS   9          1HD       LYS   9   1.646  -6.894   2.506
   83   2HD   LYS   9          2HD       LYS   9   3.214  -6.445   1.838
   84   1HE   LYS   9          1HE       LYS   9   4.353  -7.247   3.966
   85   2HE   LYS   9          2HE       LYS   9   2.773  -7.701   4.634
   86   1HZ   LYS   9          1HZ       LYS   9   3.955  -8.807   2.128
   87   2HZ   LYS   9          2HZ       LYS   9   3.866  -9.588   3.581
   88   3HZ   LYS   9          3HZ       LYS   9   2.484  -9.229   2.750
   89    H    ARG  10           H        ARG  10   3.768  -3.396  -0.830
   90    HA   ARG  10           HA       ARG  10   3.155  -3.083  -3.039
   91   1HB   ARG  10          1HB       ARG  10   0.878  -4.755  -1.950
   92   2HB   ARG  10          2HB       ARG  10   0.681  -4.216  -3.558
   93   1HG   ARG  10          1HG       ARG  10   3.176  -5.780  -2.665
   94   2HG   ARG  10          2HG       ARG  10   1.678  -6.554  -3.166
   95   1HD   ARG  10          1HD       ARG  10   1.839  -5.451  -5.435
   96   2HD   ARG  10          2HD       ARG  10   3.358  -4.711  -4.955
   97    HE   ARG  10           HE       ARG  10   4.399  -7.028  -4.767
   98   1HH1  ARG  10          2HH1      ARG  10   1.395  -6.880  -6.754
   99   2HH1  ARG  10          1HH1      ARG  10   1.955  -8.370  -7.665
  100   1HH2  ARG  10          1HH2      ARG  10   4.862  -8.682  -5.860
  101   2HH2  ARG  10          2HH2      ARG  10   3.764  -9.306  -7.194
  102    HA   PRO  11           HA       PRO  11   1.039   0.856  -3.702
  103   1HB   PRO  11          1HB       PRO  11  -1.949   0.320  -3.845
  104   2HB   PRO  11          2HB       PRO  11  -0.963   1.413  -4.838
  105   1HG   PRO  11          1HG       PRO  11  -1.619  -0.994  -5.873
  106   2HG   PRO  11          2HG       PRO  11   0.067  -0.417  -6.035
  107   1HD   PRO  11          1HD       PRO  11  -1.043  -2.394  -3.978
  108   2HD   PRO  11          2HD       PRO  11   0.437  -2.510  -4.971
  109    H    VAL  12           H        VAL  12  -1.353   2.308  -2.467
  110    HA   VAL  12           HA       VAL  12   0.329   3.036  -0.194
  111    HB   VAL  12           HB       VAL  12  -2.326   4.303  -0.983
  112   1HG1  VAL  12          1HG1      VAL  12  -1.668   4.919   1.373
  113   2HG1  VAL  12          2HG1      VAL  12  -0.112   5.549   0.809
  114   3HG1  VAL  12          3HG1      VAL  12  -1.642   6.344   0.321
  115   1HG2  VAL  12          1HG2      VAL  12  -0.624   4.488  -2.831
  116   2HG2  VAL  12          2HG2      VAL  12  -1.025   6.087  -2.184
  117   3HG2  VAL  12          3HG2      VAL  12   0.521   5.292  -1.746
  118    H    LYS  13           H        LYS  13   0.284   1.846   1.619
  119    HA   LYS  13           HA       LYS  13  -0.305   0.876   3.608
  120   1HB   LYS  13          1HB       LYS  13  -2.764   2.668   3.504
  121   2HB   LYS  13          2HB       LYS  13  -2.321   1.700   4.901
  122   1HG   LYS  13          1HG       LYS  13  -0.175   2.911   5.131
  123   2HG   LYS  13          2HG       LYS  13  -0.513   3.901   3.732
  124   1HD   LYS  13          1HD       LYS  13  -2.327   3.875   6.258
  125   2HD   LYS  13          2HD       LYS  13  -0.877   4.847   6.144
  126   1HE   LYS  13          1HE       LYS  13  -1.798   6.130   4.198
  127   2HE   LYS  13          2HE       LYS  13  -3.279   5.158   4.247
  128   1HZ   LYS  13          1HZ       LYS  13  -3.663   5.963   6.523
  129   2HZ   LYS  13          2HZ       LYS  13  -2.283   6.870   6.479
  130   3HZ   LYS  13          3HZ       LYS  13  -3.542   7.232   5.472
  131    H    VAL  14           H        VAL  14  -0.401  -1.155   2.490
  132    HA   VAL  14           HA       VAL  14  -1.035  -3.325   2.887
  133    HB   VAL  14           HB       VAL  14  -3.587  -2.534   4.318
  134   1HG1  VAL  14          1HG1      VAL  14  -3.650  -4.915   3.512
  135   2HG1  VAL  14          2HG1      VAL  14  -2.158  -5.282   4.397
  136   3HG1  VAL  14          3HG1      VAL  14  -3.650  -4.839   5.282
  137   1HG2  VAL  14          1HG2      VAL  14  -1.569  -1.665   5.529
  138   2HG2  VAL  14          2HG2      VAL  14  -2.407  -2.899   6.486
  139   3HG2  VAL  14          3HG2      VAL  14  -0.889  -3.300   5.626
  140    H    GLN  15           H        GLN  15  -1.033  -3.491   0.610
  141    HA   GLN  15           HA       GLN  15  -1.752  -3.999  -1.452
  142   1HB   GLN  15          1HB       GLN  15  -3.286  -5.674   0.148
  143   2HB   GLN  15          2HB       GLN  15  -4.567  -4.836  -0.714
  144   1HG   GLN  15          1HG       GLN  15  -3.402  -5.675  -2.911
  145   2HG   GLN  15          2HG       GLN  15  -2.243  -6.499  -1.902
  146   1HE2  GLN  15          1HE2      GLN  15  -4.561  -9.213  -1.236
  147   2HE2  GLN  15          2HE2      GLN  15  -2.899  -8.485  -0.964
  148    HA   PRO  16           HA       PRO  16  -4.001  -0.427  -3.242
  149   1HB   PRO  16          1HB       PRO  16  -6.992  -0.936  -3.218
  150   2HB   PRO  16          2HB       PRO  16  -5.945  -0.334  -4.509
  151   1HG   PRO  16          1HG       PRO  16  -6.747  -2.918  -4.550
  152   2HG   PRO  16          2HG       PRO  16  -5.053  -2.510  -4.958
  153   1HD   PRO  16          1HD       PRO  16  -6.110  -3.535  -2.267
  154   2HD   PRO  16          2HD       PRO  16  -4.740  -4.071  -3.216
  155    H    ILE  17           H        ILE  17  -6.016   1.456  -2.711
  156    HA   ILE  17           HA       ILE  17  -4.499   2.840  -0.726
  157    HB   ILE  17           HB       ILE  17  -6.945   3.501  -2.403
  158   1HG1  ILE  17          1HG1      ILE  17  -7.159   5.869  -2.002
  159   2HG1  ILE  17          2HG1      ILE  17  -7.747   4.808  -0.765
  160   1HG2  ILE  17          1HG2      ILE  17  -4.682   3.472  -3.511
  161   2HG2  ILE  17          2HG2      ILE  17  -5.529   5.019  -3.707
  162   3HG2  ILE  17          3HG2      ILE  17  -4.204   4.873  -2.520
  163   1HD1  ILE  17          1HD1      ILE  17  -5.875   5.370   0.758
  164   2HD1  ILE  17          2HD1      ILE  17  -5.200   6.477  -0.479
  165   3HD1  ILE  17          3HD1      ILE  17  -6.805   6.809   0.245
  166    H    ALA  18           H        ALA  18  -4.608   2.452   1.397
  167    HA   ALA  18           HA       ALA  18  -5.254   2.636   3.569
  168   1HB   ALA  18          1HB       ALA  18  -6.088   4.814   3.001
  169   2HB   ALA  18          2HB       ALA  18  -7.719   4.156   2.699
  170   3HB   ALA  18          3HB       ALA  18  -7.017   4.086   4.338
  171    H    ARG  19           H        ARG  19  -5.294   0.267   3.483
  172    HA   ARG  19           HA       ARG  19  -6.049  -1.731   4.346
  173   1HB   ARG  19          1HB       ARG  19  -8.482  -0.308   5.504
  174   2HB   ARG  19          2HB       ARG  19  -8.130  -2.012   5.736
  175   1HG   ARG  19          1HG       ARG  19  -6.009  -1.477   6.909
  176   2HG   ARG  19          2HG       ARG  19  -6.255   0.245   6.669
  177   1HD   ARG  19          1HD       ARG  19  -8.248  -1.506   8.274
  178   2HD   ARG  19          2HD       ARG  19  -6.829  -0.767   8.991
  179    HE   ARG  19           HE       ARG  19  -9.271   0.719   8.014
  180   1HH1  ARG  19          2HH1      ARG  19  -6.026   1.102   9.524
  181   2HH1  ARG  19          1HH1      ARG  19  -6.487   2.805  10.029
  182   1HH2  ARG  19          2HH2      ARG  19  -9.628   2.634   8.650
  183   2HH2  ARG  19          1HH2      ARG  19  -8.368   3.600   9.571
  184    H    ARG  20           H        ARG  20  -6.110  -1.735   1.801
  185    HA   ARG  20           HA       ARG  20  -6.838  -3.003   0.031
  186   1HB   ARG  20          1HB       ARG  20  -9.290  -4.013   1.517
  187   2HB   ARG  20          2HB       ARG  20  -8.886  -4.395  -0.151
  188   1HG   ARG  20          1HG       ARG  20  -6.728  -5.480   0.596
  189   2HG   ARG  20          2HG       ARG  20  -7.113  -5.098   2.274
  190   1HD   ARG  20          1HD       ARG  20  -9.183  -6.557   2.138
  191   2HD   ARG  20          2HD       ARG  20  -8.797  -6.941   0.450
  192    HE   ARG  20           HE       ARG  20  -6.437  -7.576   1.980
  193   1HH1  ARG  20          2HH1      ARG  20  -9.792  -8.884   1.846
  194   2HH1  ARG  20          1HH1      ARG  20  -9.155 -10.507   2.417
  195   1HH2  ARG  20          1HH2      ARG  20  -5.895  -9.449   2.609
  196   2HH2  ARG  20          2HH2      ARG  20  -7.123 -10.797   2.813
  197    H    VAL  21           H        VAL  21 -10.083  -1.719   0.888
  198    HA   VAL  21           HA       VAL  21 -10.415  -2.048  -1.875
  199    HB   VAL  21           HB       VAL  21 -12.577  -1.050   0.037
  200   1HG1  VAL  21          1HG1      VAL  21 -13.263  -0.805  -2.363
  201   2HG1  VAL  21          2HG1      VAL  21 -13.000  -2.533  -2.649
  202   3HG1  VAL  21          3HG1      VAL  21 -14.279  -1.984  -1.521
  203   1HG2  VAL  21          1HG2      VAL  21 -11.580  -3.224   0.840
  204   2HG2  VAL  21          2HG2      VAL  21 -13.279  -3.423   0.384
  205   3HG2  VAL  21          3HG2      VAL  21 -11.976  -4.006  -0.700
  206    H    TYR  22          1H        TYR  22 -11.616   1.638  -4.749
  207    H    TYR  22          2H        TYR  22  -8.998  -0.445  -2.860
  208    HA   TYR  22           HA       TYR  22  -9.950   2.389  -3.178
  209   1HB   TYR  22          1HB       TYR  22  -7.573   1.743  -3.439
  210   2HB   TYR  22          2HB       TYR  22  -7.938   0.716  -4.771
  211    HD1  TYR  22           HD1      TYR  22  -8.399   4.427  -3.800
  212    HD2  TYR  22           HD2      TYR  22  -7.437   1.640  -6.938
  213    HE1  TYR  22           HE1      TYR  22  -7.867   6.262  -5.300
  214    HE2  TYR  22           HE2      TYR  22  -6.939   3.502  -8.404
  215    HH   TYR  22           HH       TYR  22  -7.214   6.865  -7.315
   
  No H/Q in entry =         215
  Start of MODEL    8
    1    H    PRO   1           H        PRO   1  11.062   0.714  -1.448
    2    HA   PRO   1           HA       PRO   1  11.167   3.572  -2.166
    3   1HB   PRO   1          1HB       PRO   1   8.777   1.603  -2.242
    4   2HB   PRO   1          2HB       PRO   1   8.747   3.214  -2.949
    5   1HG   PRO   1          1HG       PRO   1   9.372   1.097  -4.528
    6   2HG   PRO   1          2HG       PRO   1  10.341   2.590  -4.678
    7   1HD   PRO   1          1HD       PRO   1  11.225  -0.024  -3.558
    8   2HD   PRO   1          2HD       PRO   1  12.181   1.419  -4.009
    9    H    GLN   2           H        GLN   2   8.424   3.286  -0.410
   10    HA   GLN   2           HA       GLN   2   9.895   3.743   2.221
   11   1HB   GLN   2          1HB       GLN   2   8.529   5.645   1.181
   12   2HB   GLN   2          2HB       GLN   2   7.087   4.652   1.374
   13   1HG   GLN   2          1HG       GLN   2   7.508   4.669   3.906
   14   2HG   GLN   2          2HG       GLN   2   8.902   5.707   3.630
   15   1HE2  GLN   2          1HE2      GLN   2   5.204   7.455   3.534
   16   2HE2  GLN   2          2HE2      GLN   2   5.433   5.656   3.811
   17    H    ASN   3           H        ASN   3  10.143   1.414   2.340
   18    HA   ASN   3           HA       ASN   3   9.843  -0.444   3.616
   19   1HB   ASN   3          1HB       ASN   3   8.744   1.125   5.304
   20   2HB   ASN   3          2HB       ASN   3   7.199   0.491   4.783
   21   1HD2  ASN   3          1HD2      ASN   3   9.543  -1.858   7.222
   22   2HD2  ASN   3          2HD2      ASN   3  10.196  -0.325   6.454
   23    H    ALA   4           H        ALA   4   9.617  -2.178   2.392
   24    HA   ALA   4           HA       ALA   4   8.801  -3.992   1.274
   25   1HB   ALA   4          1HB       ALA   4   7.716  -4.455   3.363
   26   2HB   ALA   4          2HB       ALA   4   6.222  -3.651   2.811
   27   3HB   ALA   4          3HB       ALA   4   6.804  -5.122   1.983
   28    H    LYS   5           H        LYS   5   9.058  -2.961  -0.786
   29    HA   LYS   5           HA       LYS   5   8.440  -2.974  -2.996
   30   1HB   LYS   5          1HB       LYS   5   6.972  -4.802  -2.812
   31   2HB   LYS   5          2HB       LYS   5   5.725  -3.832  -2.119
   32   1HG   LYS   5          1HG       LYS   5   4.822  -4.102  -4.219
   33   2HG   LYS   5          2HG       LYS   5   5.586  -2.539  -4.393
   34   1HD   LYS   5          1HD       LYS   5   7.630  -3.940  -5.456
   35   2HD   LYS   5          2HD       LYS   5   6.498  -5.282  -5.425
   36   1HE   LYS   5          1HE       LYS   5   6.339  -4.486  -7.628
   37   2HE   LYS   5          2HE       LYS   5   4.882  -3.826  -6.893
   38   1HZ   LYS   5          1HZ       LYS   5   7.433  -2.337  -7.354
   39   2HZ   LYS   5          2HZ       LYS   5   6.042  -2.179  -8.230
   40   3HZ   LYS   5          3HZ       LYS   5   6.084  -1.690  -6.653
   41    H    LEU   6           H        LEU   6   5.399  -1.172  -2.054
   42    HA   LEU   6           HA       LEU   6   6.796   1.317  -3.188
   43   1HB   LEU   6          1HB       LEU   6   3.901   0.494  -3.340
   44   2HB   LEU   6          2HB       LEU   6   4.466   2.078  -3.793
   45    HG   LEU   6           HG       LEU   6   5.460  -0.453  -5.250
   46   1HD1  LEU   6          1HD1      LEU   6   2.977  -0.302  -5.507
   47   2HD1  LEU   6          2HD1      LEU   6   3.116   1.369  -6.095
   48   3HD1  LEU   6          3HD1      LEU   6   3.775   0.012  -7.054
   49   1HD2  LEU   6          1HD2      LEU   6   6.922   1.577  -5.583
   50   2HD2  LEU   6          2HD2      LEU   6   6.151   1.085  -7.107
   51   3HD2  LEU   6          3HD2      LEU   6   5.534   2.499  -6.199
   52    H    LYS   7           H        LYS   7   3.757   1.492  -1.244
   53    HA   LYS   7           HA       LYS   7   5.407   3.008   0.871
   54   1HB   LYS   7          1HB       LYS   7   2.817   3.910  -0.508
   55   2HB   LYS   7          2HB       LYS   7   3.376   4.587   1.012
   56   1HG   LYS   7          1HG       LYS   7   5.491   5.391  -0.051
   57   2HG   LYS   7          2HG       LYS   7   4.989   4.708  -1.598
   58   1HD   LYS   7          1HD       LYS   7   2.967   6.249  -1.626
   59   2HD   LYS   7          2HD       LYS   7   3.467   6.933  -0.076
   60   1HE   LYS   7          1HE       LYS   7   5.611   7.777  -1.136
   61   2HE   LYS   7          2HE       LYS   7   5.109   7.090  -2.692
   62   1HZ   LYS   7          1HZ       LYS   7   3.134   8.524  -2.619
   63   2HZ   LYS   7          2HZ       LYS   7   3.602   9.164  -1.170
   64   3HZ   LYS   7          3HZ       LYS   7   4.513   9.428  -2.522
   65    H    ILE   8           H        ILE   8   5.361   1.202   2.158
   66    HA   ILE   8           HA       ILE   8   4.765   0.134   4.078
   67    HB   ILE   8           HB       ILE   8   2.147   1.623   4.359
   68   1HG1  ILE   8          1HG1      ILE   8   2.776  -0.476   5.926
   69   2HG1  ILE   8          2HG1      ILE   8   3.884   0.580   6.738
   70   1HG2  ILE   8          1HG2      ILE   8   3.982   3.318   4.091
   71   2HG2  ILE   8          2HG2      ILE   8   3.292   3.382   5.733
   72   3HG2  ILE   8          3HG2      ILE   8   4.872   2.598   5.458
   73   1HD1  ILE   8          1HD1      ILE   8   0.804   0.872   6.538
   74   2HD1  ILE   8          2HD1      ILE   8   1.739   0.308   7.950
   75   3HD1  ILE   8          3HD1      ILE   8   1.860   2.010   7.427
   76    H    LYS   9           H        LYS   9   4.679  -1.808   2.882
   77    HA   LYS   9           HA       LYS   9   3.895  -3.887   2.337
   78   1HB   LYS   9          1HB       LYS   9   2.860  -4.087   4.424
   79   2HB   LYS   9          2HB       LYS   9   1.487  -3.129   3.963
   80   1HG   LYS   9          1HG       LYS   9   0.680  -5.311   4.228
   81   2HG   LYS   9          2HG       LYS   9   0.634  -4.992   2.501
   82   1HD   LYS   9          1HD       LYS   9   2.699  -6.331   2.177
   83   2HD   LYS   9          2HD       LYS   9   2.829  -6.644   3.904
   84   1HE   LYS   9          1HE       LYS   9   0.399  -7.567   2.205
   85   2HE   LYS   9          2HE       LYS   9   1.866  -8.516   2.389
   86   1HZ   LYS   9          1HZ       LYS   9   1.513  -8.581   4.790
   87   2HZ   LYS   9          2HZ       LYS   9   0.131  -7.685   4.656
   88   3HZ   LYS   9          3HZ       LYS   9   0.206  -9.194   3.988
   89    H    ARG  10           H        ARG  10   4.123  -3.485   0.191
   90    HA   ARG  10           HA       ARG  10   3.654  -3.291  -2.006
   91   1HB   ARG  10          1HB       ARG  10   2.046  -5.403  -1.018
   92   2HB   ARG  10          2HB       ARG  10   0.896  -4.477  -1.949
   93   1HG   ARG  10          1HG       ARG  10   2.454  -4.631  -3.977
   94   2HG   ARG  10          2HG       ARG  10   3.596  -5.534  -2.987
   95   1HD   ARG  10          1HD       ARG  10   1.890  -7.385  -2.708
   96   2HD   ARG  10          2HD       ARG  10   0.752  -6.474  -3.718
   97    HE   ARG  10           HE       ARG  10   3.534  -7.241  -4.783
   98   1HH1  ARG  10          2HH1      ARG  10  -0.018  -7.328  -5.384
   99   2HH1  ARG  10          1HH1      ARG  10   0.310  -7.975  -7.069
  100   1HH2  ARG  10          1HH2      ARG  10   3.722  -7.980  -6.675
  101   2HH2  ARG  10          2HH2      ARG  10   2.265  -8.314  -7.739
  102    HA   PRO  11           HA       PRO  11   1.248   0.441  -3.301
  103   1HB   PRO  11          1HB       PRO  11  -1.576  -0.768  -3.041
  104   2HB   PRO  11          2HB       PRO  11  -1.189   0.564  -4.093
  105   1HG   PRO  11          1HG       PRO  11  -1.207  -1.889  -5.174
  106   2HG   PRO  11          2HG       PRO  11   0.268  -0.921  -5.481
  107   1HD   PRO  11          1HD       PRO  11  -0.131  -3.184  -3.491
  108   2HD   PRO  11          2HD       PRO  11   1.319  -2.763  -4.447
  109    H    VAL  12           H        VAL  12  -0.991   1.976  -2.188
  110    HA   VAL  12           HA       VAL  12   0.690   2.882   0.044
  111    HB   VAL  12           HB       VAL  12  -1.883   4.159  -0.974
  112   1HG1  VAL  12          1HG1      VAL  12  -1.229   5.044   1.292
  113   2HG1  VAL  12          2HG1      VAL  12   0.355   5.548   0.679
  114   3HG1  VAL  12          3HG1      VAL  12  -1.142   6.322   0.071
  115   1HG2  VAL  12          1HG2      VAL  12  -0.157   4.057  -2.810
  116   2HG2  VAL  12          2HG2      VAL  12  -0.509   5.735  -2.370
  117   3HG2  VAL  12          3HG2      VAL  12   1.005   4.952  -1.816
  118    H    LYS  13           H        LYS  13   0.505   1.762   1.960
  119    HA   LYS  13           HA       LYS  13  -0.195   1.401   4.063
  120   1HB   LYS  13          1HB       LYS  13  -1.225   3.721   3.783
  121   2HB   LYS  13          2HB       LYS  13  -2.780   2.937   3.596
  122   1HG   LYS  13          1HG       LYS  13  -2.408   1.903   5.940
  123   2HG   LYS  13          2HG       LYS  13  -0.978   2.905   6.109
  124   1HD   LYS  13          1HD       LYS  13  -3.813   4.032   5.628
  125   2HD   LYS  13          2HD       LYS  13  -3.193   3.678   7.217
  126   1HE   LYS  13          1HE       LYS  13  -1.872   5.749   5.357
  127   2HE   LYS  13          2HE       LYS  13  -3.158   6.132   6.497
  128   1HZ   LYS  13          1HZ       LYS  13  -1.730   5.377   8.321
  129   2HZ   LYS  13          2HZ       LYS  13  -0.508   5.013   7.271
  130   3HZ   LYS  13          3HZ       LYS  13  -0.995   6.580   7.459
  131    H    VAL  14           H        VAL  14  -0.217  -0.855   3.241
  132    HA   VAL  14           HA       VAL  14  -0.942  -3.002   3.739
  133    HB   VAL  14           HB       VAL  14  -3.644  -2.096   4.807
  134   1HG1  VAL  14          1HG1      VAL  14  -3.627  -4.512   4.129
  135   2HG1  VAL  14          2HG1      VAL  14  -2.275  -4.840   5.229
  136   3HG1  VAL  14          3HG1      VAL  14  -3.867  -4.334   5.875
  137   1HG2  VAL  14          1HG2      VAL  14  -1.794  -1.166   6.227
  138   2HG2  VAL  14          2HG2      VAL  14  -2.772  -2.337   7.127
  139   3HG2  VAL  14          3HG2      VAL  14  -1.155  -2.797   6.509
  140    H    GLN  15           H        GLN  15  -0.703  -3.296   1.453
  141    HA   GLN  15           HA       GLN  15  -1.299  -3.877  -0.717
  142   1HB   GLN  15          1HB       GLN  15  -3.911  -4.619   0.717
  143   2HB   GLN  15          2HB       GLN  15  -3.795  -4.877  -0.993
  144   1HG   GLN  15          1HG       GLN  15  -1.833  -6.386  -0.709
  145   2HG   GLN  15          2HG       GLN  15  -1.925  -6.151   1.041
  146   1HE2  GLN  15          1HE2      GLN  15  -4.561  -8.788  -0.650
  147   2HE2  GLN  15          2HE2      GLN  15  -3.350  -7.837  -1.649
  148    HA   PRO  16           HA       PRO  16  -3.592  -0.277  -2.989
  149   1HB   PRO  16          1HB       PRO  16  -6.457  -1.371  -2.727
  150   2HB   PRO  16          2HB       PRO  16  -5.622  -0.796  -4.153
  151   1HG   PRO  16          1HG       PRO  16  -5.864  -3.535  -3.029
  152   2HG   PRO  16          2HG       PRO  16  -5.284  -3.080  -4.661
  153   1HD   PRO  16          1HD       PRO  16  -3.391  -4.060  -2.918
  154   2HD   PRO  16          2HD       PRO  16  -3.084  -2.657  -3.883
  155    H    ILE  17           H        ILE  17  -5.662   1.392  -2.600
  156    HA   ILE  17           HA       ILE  17  -4.186   2.707  -0.536
  157    HB   ILE  17           HB       ILE  17  -6.514   3.709  -2.247
  158   1HG1  ILE  17          1HG1      ILE  17  -3.527   4.535  -2.553
  159   2HG1  ILE  17          2HG1      ILE  17  -4.149   3.100  -3.302
  160   1HG2  ILE  17          1HG2      ILE  17  -6.424   5.123  -0.149
  161   2HG2  ILE  17          2HG2      ILE  17  -4.715   5.507  -0.474
  162   3HG2  ILE  17          3HG2      ILE  17  -5.988   6.067  -1.594
  163   1HD1  ILE  17          1HD1      ILE  17  -5.742   4.357  -4.723
  164   2HD1  ILE  17          2HD1      ILE  17  -5.152   5.890  -4.023
  165   3HD1  ILE  17          3HD1      ILE  17  -4.046   4.857  -4.962
  166    H    ALA  18           H        ALA  18  -4.514   2.647   1.606
  167    HA   ALA  18           HA       ALA  18  -5.384   2.881   3.699
  168   1HB   ALA  18          1HB       ALA  18  -6.180   4.987   2.871
  169   2HB   ALA  18          2HB       ALA  18  -7.761   4.273   2.453
  170   3HB   ALA  18          3HB       ALA  18  -7.239   4.348   4.157
  171    H    ARG  19           H        ARG  19  -5.398   0.518   3.872
  172    HA   ARG  19           HA       ARG  19  -6.238  -1.360   4.893
  173   1HB   ARG  19          1HB       ARG  19  -8.784   0.146   5.624
  174   2HB   ARG  19          2HB       ARG  19  -8.439  -1.512   6.088
  175   1HG   ARG  19          1HG       ARG  19  -6.399  -0.766   7.335
  176   2HG   ARG  19          2HG       ARG  19  -6.715   0.908   6.911
  177   1HD   ARG  19          1HD       ARG  19  -8.711  -0.807   8.545
  178   2HD   ARG  19          2HD       ARG  19  -7.393   0.093   9.272
  179    HE   ARG  19           HE       ARG  19  -9.848   1.313   7.998
  180   1HH1  ARG  19          2HH1      ARG  19  -6.748   2.053   9.671
  181   2HH1  ARG  19          1HH1      ARG  19  -7.345   3.761   9.972
  182   1HH2  ARG  19          1HH2      ARG  19 -10.363   3.251   8.415
  183   2HH2  ARG  19          2HH2      ARG  19  -9.233   4.382   9.315
  184    H    ARG  20           H        ARG  20  -6.012  -1.762   2.457
  185    HA   ARG  20           HA       ARG  20  -6.423  -3.274   0.854
  186   1HB   ARG  20          1HB       ARG  20  -7.494  -4.787   2.544
  187   2HB   ARG  20          2HB       ARG  20  -9.047  -4.178   2.043
  188   1HG   ARG  20          1HG       ARG  20  -8.955  -6.165   0.872
  189   2HG   ARG  20          2HG       ARG  20  -8.522  -4.998  -0.367
  190   1HD   ARG  20          1HD       ARG  20  -6.074  -5.621  -0.058
  191   2HD   ARG  20          2HD       ARG  20  -6.536  -6.789   1.188
  192    HE   ARG  20           HE       ARG  20  -7.181  -7.002  -1.785
  193   1HH1  ARG  20          1HH1      ARG  20  -7.619 -10.279   0.502
  194   2HH1  ARG  20          2HH1      ARG  20  -7.258  -8.711   1.383
  195   1HH2  ARG  20          1HH2      ARG  20  -7.587  -8.831  -2.612
  196   2HH2  ARG  20          2HH2      ARG  20  -7.790 -10.337  -1.583
  197    H    VAL  21           H        VAL  21  -9.917  -2.679   0.390
  198    HA   VAL  21           HA       VAL  21  -8.911  -1.677  -2.242
  199    HB   VAL  21           HB       VAL  21 -11.211  -2.044  -3.164
  200   1HG1  VAL  21          1HG1      VAL  21  -9.431  -3.807  -3.345
  201   2HG1  VAL  21          2HG1      VAL  21 -10.106  -4.620  -1.913
  202   3HG1  VAL  21          3HG1      VAL  21 -11.077  -4.466  -3.402
  203   1HG2  VAL  21          1HG2      VAL  21 -12.651  -1.824  -1.150
  204   2HG2  VAL  21          2HG2      VAL  21 -13.000  -3.292  -2.087
  205   3HG2  VAL  21          3HG2      VAL  21 -12.076  -3.400  -0.559
  206    H    TYR  22          1H        TYR  22  -7.726   2.735  -3.898
  207    H    TYR  22          2H        TYR  22  -8.382   0.375  -1.036
  208    HA   TYR  22           HA       TYR  22  -9.949   2.033  -3.044
  209   1HB   TYR  22          1HB       TYR  22  -8.384   3.629  -1.035
  210   2HB   TYR  22          2HB       TYR  22  -9.119   4.157  -2.501
  211    HD1  TYR  22           HD1      TYR  22 -11.620   4.461  -2.667
  212    HD2  TYR  22           HD2      TYR  22  -9.850   2.970   0.972
  213    HE1  TYR  22           HE1      TYR  22 -13.687   4.871  -1.461
  214    HE2  TYR  22           HE2      TYR  22 -11.937   3.398   2.130
  215    HH   TYR  22           HH       TYR  22 -14.006   4.137   1.994
   
  No H/Q in entry =         215
  Start of MODEL    9
    1    H    PRO   1           H        PRO   1  11.399   2.563  -3.595
    2    HA   PRO   1           HA       PRO   1   9.105   1.883  -2.532
    3   1HB   PRO   1          1HB       PRO   1   9.682   0.002  -0.653
    4   2HB   PRO   1          2HB       PRO   1   9.224  -0.425  -2.436
    5   1HG   PRO   1          1HG       PRO   1  12.084   0.008  -1.285
    6   2HG   PRO   1          2HG       PRO   1  11.276  -1.519  -2.048
    7   1HD   PRO   1          1HD       PRO   1  12.843   0.415  -3.287
    8   2HD   PRO   1          2HD       PRO   1  11.371  -0.311  -4.128
    9    H    GLN   2           H        GLN   2   8.751   3.536  -0.874
   10    HA   GLN   2           HA       GLN   2  10.094   3.250   1.696
   11   1HB   GLN   2          1HB       GLN   2   7.382   4.486   0.920
   12   2HB   GLN   2          2HB       GLN   2   8.022   4.511   2.553
   13   1HG   GLN   2          1HG       GLN   2  10.010   5.836   1.813
   14   2HG   GLN   2          2HG       GLN   2   9.410   5.837   0.156
   15   1HE2  GLN   2          1HE2      GLN   2   7.051   8.506   0.877
   16   2HE2  GLN   2          2HE2      GLN   2   7.724   7.316  -0.347
   17    H    ASN   3           H        ASN   3  10.101   0.928   1.668
   18    HA   ASN   3           HA       ASN   3   9.670  -1.011   2.894
   19   1HB   ASN   3          1HB       ASN   3   7.104   0.160   4.045
   20   2HB   ASN   3          2HB       ASN   3   7.762  -1.418   4.440
   21   1HD2  ASN   3          1HD2      ASN   3   9.492   1.838   6.223
   22   2HD2  ASN   3          2HD2      ASN   3   8.226   2.022   4.908
   23    H    ALA   4           H        ALA   4   9.420  -2.535   1.424
   24    HA   ALA   4           HA       ALA   4   8.526  -4.181   0.116
   25   1HB   ALA   4          1HB       ALA   4   7.303  -4.786   2.075
   26   2HB   ALA   4          2HB       ALA   4   5.898  -3.823   1.549
   27   3HB   ALA   4          3HB       ALA   4   6.430  -5.234   0.586
   28    H    LYS   5           H        LYS   5   8.971  -2.963  -1.776
   29    HA   LYS   5           HA       LYS   5   8.606  -2.641  -3.927
   30   1HB   LYS   5          1HB       LYS   5   5.912  -3.860  -3.458
   31   2HB   LYS   5          2HB       LYS   5   5.852  -2.664  -4.712
   32   1HG   LYS   5          1HG       LYS   5   7.825  -3.840  -5.898
   33   2HG   LYS   5          2HG       LYS   5   7.677  -5.118  -4.708
   34   1HD   LYS   5          1HD       LYS   5   6.564  -5.932  -6.585
   35   2HD   LYS   5          2HD       LYS   5   5.259  -5.511  -5.497
   36   1HE   LYS   5          1HE       LYS   5   6.167  -3.691  -7.844
   37   2HE   LYS   5          2HE       LYS   5   4.982  -4.988  -8.041
   38   1HZ   LYS   5          1HZ       LYS   5   3.568  -3.899  -6.388
   39   2HZ   LYS   5          2HZ       LYS   5   4.664  -2.679  -6.192
   40   3HZ   LYS   5          3HZ       LYS   5   3.898  -2.875  -7.642
   41    H    LEU   6           H        LEU   6   5.551  -0.871  -3.012
   42    HA   LEU   6           HA       LEU   6   6.953   1.554  -4.230
   43   1HB   LEU   6          1HB       LEU   6   4.011   1.019  -4.352
   44   2HB   LEU   6          2HB       LEU   6   4.870   2.338  -5.108
   45    HG   LEU   6           HG       LEU   6   5.200  -0.603  -6.000
   46   1HD1  LEU   6          1HD1      LEU   6   2.875   0.189  -6.428
   47   2HD1  LEU   6          2HD1      LEU   6   3.492   1.603  -7.315
   48   3HD1  LEU   6          3HD1      LEU   6   3.740  -0.048  -7.951
   49   1HD2  LEU   6          1HD2      LEU   6   7.193   0.828  -6.615
   50   2HD2  LEU   6          2HD2      LEU   6   6.321   0.281  -8.059
   51   3HD2  LEU   6          3HD2      LEU   6   6.136   1.963  -7.480
   52    H    LYS   7           H        LYS   7   3.930   1.791  -2.281
   53    HA   LYS   7           HA       LYS   7   5.581   3.123  -0.064
   54   1HB   LYS   7          1HB       LYS   7   3.081   4.304  -1.405
   55   2HB   LYS   7          2HB       LYS   7   3.641   4.796   0.185
   56   1HG   LYS   7          1HG       LYS   7   5.820   5.585  -0.752
   57   2HG   LYS   7          2HG       LYS   7   5.323   5.079  -2.368
   58   1HD   LYS   7          1HD       LYS   7   3.382   6.724  -2.288
   59   2HD   LYS   7          2HD       LYS   7   3.884   7.233  -0.672
   60   1HE   LYS   7          1HE       LYS   7   6.093   8.052  -1.615
   61   2HE   LYS   7          2HE       LYS   7   5.587   7.540  -3.235
   62   1HZ   LYS   7          1HZ       LYS   7   4.162   9.545  -1.549
   63   2HZ   LYS   7          2HZ       LYS   7   5.114   9.882  -2.856
   64   3HZ   LYS   7          3HZ       LYS   7   3.691   9.068  -3.059
   65    H    ILE   8           H        ILE   8   5.370   1.276   1.179
   66    HA   ILE   8           HA       ILE   8   4.541   0.056   2.920
   67    HB   ILE   8           HB       ILE   8   2.028   1.730   3.019
   68   1HG1  ILE   8          1HG1      ILE   8   4.477   2.356   4.835
   69   2HG1  ILE   8          2HG1      ILE   8   4.368   3.038   3.247
   70   1HG2  ILE   8          1HG2      ILE   8   1.861  -0.376   4.387
   71   2HG2  ILE   8          2HG2      ILE   8   3.310   0.095   5.313
   72   3HG2  ILE   8          3HG2      ILE   8   1.817   1.066   5.430
   73   1HD1  ILE   8          1HD1      ILE   8   2.269   4.252   3.748
   74   2HD1  ILE   8          2HD1      ILE   8   2.303   3.620   5.416
   75   3HD1  ILE   8          3HD1      ILE   8   3.608   4.693   4.841
   76    H    LYS   9           H        LYS   9   4.549  -1.753   1.488
   77    HA   LYS   9           HA       LYS   9   3.759  -3.802   0.838
   78   1HB   LYS   9          1HB       LYS   9   1.016  -3.259   1.975
   79   2HB   LYS   9          2HB       LYS   9   1.551  -4.777   1.280
   80   1HG   LYS   9          1HG       LYS   9   3.282  -5.025   3.095
   81   2HG   LYS   9          2HG       LYS   9   2.741  -3.510   3.820
   82   1HD   LYS   9          1HD       LYS   9   0.433  -4.485   4.151
   83   2HD   LYS   9          2HD       LYS   9   0.936  -6.000   3.428
   84   1HE   LYS   9          1HE       LYS   9   2.266  -4.853   5.991
   85   2HE   LYS   9          2HE       LYS   9   0.818  -5.848   6.009
   86   1HZ   LYS   9          1HZ       LYS   9   2.050  -7.647   4.942
   87   2HZ   LYS   9          2HZ       LYS   9   3.430  -6.739   4.902
   88   3HZ   LYS   9          3HZ       LYS   9   2.780  -7.192   6.352
   89    H    ARG  10           H        ARG  10   4.058  -3.404  -1.300
   90    HA   ARG  10           HA       ARG  10   3.568  -3.422  -3.571
   91   1HB   ARG  10          1HB       ARG  10   0.976  -4.620  -2.470
   92   2HB   ARG  10          2HB       ARG  10   1.239  -4.486  -4.189
   93   1HG   ARG  10          1HG       ARG  10   3.399  -5.856  -3.949
   94   2HG   ARG  10          2HG       ARG  10   2.943  -6.133  -2.279
   95   1HD   ARG  10          1HD       ARG  10   2.249  -8.091  -3.424
   96   2HD   ARG  10          2HD       ARG  10   0.747  -7.223  -3.126
   97    HE   ARG  10           HE       ARG  10   2.211  -7.296  -5.834
   98   1HH1  ARG  10          2HH1      ARG  10  -0.944  -6.847  -4.169
   99   2HH1  ARG  10          1HH1      ARG  10  -1.754  -6.693  -5.809
  100   1HH2  ARG  10          1HH2      ARG  10   1.163  -7.143  -7.567
  101   2HH2  ARG  10          2HH2      ARG  10  -0.648  -6.848  -7.583
  102    HA   PRO  11           HA       PRO  11   1.548   0.567  -4.631
  103   1HB   PRO  11          1HB       PRO  11  -1.459   0.232  -4.668
  104   2HB   PRO  11          2HB       PRO  11  -0.413   1.064  -5.836
  105   1HG   PRO  11          1HG       PRO  11  -1.354  -1.393  -6.466
  106   2HG   PRO  11          2HG       PRO  11   0.364  -1.011  -6.786
  107   1HD   PRO  11          1HD       PRO  11  -0.787  -2.534  -4.386
  108   2HD   PRO  11          2HD       PRO  11   0.559  -2.962  -5.468
  109    H    VAL  12           H        VAL  12  -0.776   2.190  -3.541
  110    HA   VAL  12           HA       VAL  12   0.847   3.095  -1.260
  111    HB   VAL  12           HB       VAL  12  -1.764   4.328  -2.252
  112   1HG1  VAL  12          1HG1      VAL  12  -1.106   5.163   0.034
  113   2HG1  VAL  12          2HG1      VAL  12   0.453   5.733  -0.584
  114   3HG1  VAL  12          3HG1      VAL  12  -1.075   6.480  -1.147
  115   1HG2  VAL  12          1HG2      VAL  12  -0.065   4.338  -4.112
  116   2HG2  VAL  12          2HG2      VAL  12  -0.463   5.989  -3.614
  117   3HG2  VAL  12          3HG2      VAL  12   1.084   5.238  -3.107
  118    H    LYS  13           H        LYS  13   0.599   2.108   0.698
  119    HA   LYS  13           HA       LYS  13  -0.288   1.486   2.752
  120   1HB   LYS  13          1HB       LYS  13  -2.754   3.228   2.117
  121   2HB   LYS  13          2HB       LYS  13  -2.295   2.560   3.675
  122   1HG   LYS  13          1HG       LYS  13  -0.200   3.853   3.759
  123   2HG   LYS  13          2HG       LYS  13  -0.507   4.562   2.187
  124   1HD   LYS  13          1HD       LYS  13  -2.425   4.944   4.586
  125   2HD   LYS  13          2HD       LYS  13  -1.009   5.932   4.372
  126   1HE   LYS  13          1HE       LYS  13  -3.212   5.786   2.226
  127   2HE   LYS  13          2HE       LYS  13  -3.265   6.906   3.587
  128   1HZ   LYS  13          1HZ       LYS  13  -1.167   7.881   2.827
  129   2HZ   LYS  13          2HZ       LYS  13  -1.101   6.843   1.543
  130   3HZ   LYS  13          3HZ       LYS  13  -2.315   7.960   1.641
  131    H    VAL  14           H        VAL  14  -0.356  -0.688   1.919
  132    HA   VAL  14           HA       VAL  14  -1.178  -2.818   2.226
  133    HB   VAL  14           HB       VAL  14  -3.796  -1.836   3.372
  134   1HG1  VAL  14          1HG1      VAL  14  -3.939  -4.216   2.614
  135   2HG1  VAL  14          2HG1      VAL  14  -2.582  -4.657   3.669
  136   3HG1  VAL  14          3HG1      VAL  14  -4.126  -4.078   4.369
  137   1HG2  VAL  14          1HG2      VAL  14  -1.869  -1.047   4.765
  138   2HG2  VAL  14          2HG2      VAL  14  -2.891  -2.189   5.651
  139   3HG2  VAL  14          3HG2      VAL  14  -1.316  -2.719   4.982
  140    H    GLN  15           H        GLN  15  -0.905  -2.928  -0.088
  141    HA   GLN  15           HA       GLN  15  -1.488  -3.847  -2.053
  142   1HB   GLN  15          1HB       GLN  15  -4.338  -4.345  -1.154
  143   2HB   GLN  15          2HB       GLN  15  -3.576  -5.021  -2.573
  144   1HG   GLN  15          1HG       GLN  15  -2.741  -5.671   0.282
  145   2HG   GLN  15          2HG       GLN  15  -3.903  -6.588  -0.661
  146   1HE2  GLN  15          1HE2      GLN  15  -1.309  -8.300  -2.547
  147   2HE2  GLN  15          2HE2      GLN  15  -3.101  -7.953  -2.358
  148    HA   PRO  16           HA       PRO  16  -3.672  -0.180  -4.311
  149   1HB   PRO  16          1HB       PRO  16  -6.529  -1.376  -4.101
  150   2HB   PRO  16          2HB       PRO  16  -5.977  -0.255  -5.332
  151   1HG   PRO  16          1HG       PRO  16  -5.930  -2.899  -5.871
  152   2HG   PRO  16          2HG       PRO  16  -4.481  -1.935  -6.292
  153   1HD   PRO  16          1HD       PRO  16  -4.832  -3.864  -4.007
  154   2HD   PRO  16          2HD       PRO  16  -3.371  -3.397  -4.884
  155    H    ILE  17           H        ILE  17  -5.600   1.638  -3.875
  156    HA   ILE  17           HA       ILE  17  -3.956   2.740  -1.842
  157    HB   ILE  17           HB       ILE  17  -6.163   4.138  -3.354
  158   1HG1  ILE  17          1HG1      ILE  17  -3.130   4.358  -4.056
  159   2HG1  ILE  17          2HG1      ILE  17  -4.100   3.079  -4.701
  160   1HG2  ILE  17          1HG2      ILE  17  -5.513   5.473  -1.308
  161   2HG2  ILE  17          2HG2      ILE  17  -3.812   5.479  -1.839
  162   3HG2  ILE  17          3HG2      ILE  17  -5.055   6.329  -2.798
  163   1HD1  ILE  17          1HD1      ILE  17  -5.595   4.628  -5.926
  164   2HD1  ILE  17          2HD1      ILE  17  -4.641   6.014  -5.327
  165   3HD1  ILE  17          3HD1      ILE  17  -3.880   4.799  -6.383
  166    H    ALA  18           H        ALA  18  -4.338   2.286   0.346
  167    HA   ALA  18           HA       ALA  18  -5.540   3.094   2.587
  168   1HB   ALA  18          1HB       ALA  18  -7.891   3.616   0.854
  169   2HB   ALA  18          2HB       ALA  18  -7.956   3.379   2.616
  170   3HB   ALA  18          3HB       ALA  18  -6.983   4.700   1.925
  171    H    ARG  19           H        ARG  19  -5.510   0.522   2.229
  172    HA   ARG  19           HA       ARG  19  -6.356  -1.506   3.073
  173   1HB   ARG  19          1HB       ARG  19  -7.395  -0.056   4.828
  174   2HB   ARG  19          2HB       ARG  19  -8.933  -0.173   3.986
  175   1HG   ARG  19          1HG       ARG  19  -8.938  -2.676   4.311
  176   2HG   ARG  19          2HG       ARG  19  -7.359  -2.591   5.091
  177   1HD   ARG  19          1HD       ARG  19  -8.326  -1.201   6.954
  178   2HD   ARG  19          2HD       ARG  19  -9.923  -1.255   6.179
  179    HE   ARG  19           HE       ARG  19  -9.142  -3.991   6.429
  180   1HH1  ARG  19          2HH1      ARG  19  -9.707  -1.378   8.845
  181   2HH1  ARG  19          1HH1      ARG  19 -10.150  -2.655  10.086
  182   1HH2  ARG  19          1HH2      ARG  19  -9.663  -5.284   7.931
  183   2HH2  ARG  19          2HH2      ARG  19 -10.125  -4.690   9.605
  184    H    ARG  20           H        ARG  20  -6.187  -1.636   0.600
  185    HA   ARG  20           HA       ARG  20  -6.644  -2.919  -1.194
  186   1HB   ARG  20          1HB       ARG  20  -9.021  -4.179   0.243
  187   2HB   ARG  20          2HB       ARG  20  -8.501  -4.613  -1.376
  188   1HG   ARG  20          1HG       ARG  20  -6.247  -5.344  -0.475
  189   2HG   ARG  20          2HG       ARG  20  -6.774  -4.901   1.140
  190   1HD   ARG  20          1HD       ARG  20  -7.049  -7.232   1.101
  191   2HD   ARG  20          2HD       ARG  20  -8.698  -6.659   0.899
  192    HE   ARG  20           HE       ARG  20  -7.278  -7.242  -1.685
  193   1HH1  ARG  20          2HH1      ARG  20  -9.379  -8.756   0.820
  194   2HH1  ARG  20          1HH1      ARG  20  -9.843 -10.056  -0.389
  195   1HH2  ARG  20          1HH2      ARG  20  -7.898  -8.765  -2.908
  196   2HH2  ARG  20          2HH2      ARG  20  -9.068 -10.056  -2.332
  197    H    VAL  21           H        VAL  21 -10.177  -2.630  -1.344
  198    HA   VAL  21           HA       VAL  21  -9.508  -1.195  -3.861
  199    HB   VAL  21           HB       VAL  21 -11.886  -1.533  -4.580
  200   1HG1  VAL  21          1HG1      VAL  21 -10.079  -3.146  -5.227
  201   2HG1  VAL  21          2HG1      VAL  21 -10.521  -4.187  -3.853
  202   3HG1  VAL  21          3HG1      VAL  21 -11.681  -3.906  -5.184
  203   1HG2  VAL  21          1HG2      VAL  21 -13.108  -1.705  -2.421
  204   2HG2  VAL  21          2HG2      VAL  21 -13.492  -3.036  -3.531
  205   3HG2  VAL  21          3HG2      VAL  21 -12.401  -3.312  -2.142
  206    H    TYR  22          1H        TYR  22 -10.938   2.640  -4.730
  207    H    TYR  22          2H        TYR  22  -8.851   0.778  -2.843
  208    HA   TYR  22           HA       TYR  22 -10.842   3.141  -2.234
  209   1HB   TYR  22          1HB       TYR  22  -8.871   3.554  -1.140
  210   2HB   TYR  22          2HB       TYR  22  -7.965   3.396  -2.618
  211    HD1  TYR  22           HD1      TYR  22 -10.418   5.545  -0.844
  212    HD2  TYR  22           HD2      TYR  22  -8.053   5.058  -4.401
  213    HE1  TYR  22           HE1      TYR  22 -10.683   7.944  -1.362
  214    HE2  TYR  22           HE2      TYR  22  -8.329   7.445  -4.909
  215    HH   TYR  22           HH       TYR  22  -9.211   9.369  -4.259
   
  No H/Q in entry =         215
  Start of MODEL   10
    1    H    PRO   1           H        PRO   1  11.485   1.279  -3.587
    2    HA   PRO   1           HA       PRO   1   9.358   2.045  -3.927
    3   1HB   PRO   1          1HB       PRO   1   8.169   0.563  -1.554
    4   2HB   PRO   1          2HB       PRO   1   7.531   0.600  -3.180
    5   1HG   PRO   1          1HG       PRO   1   9.518  -1.227  -1.756
    6   2HG   PRO   1          2HG       PRO   1   8.651  -1.653  -3.237
    7   1HD   PRO   1          1HD       PRO   1  11.278  -1.236  -3.352
    8   2HD   PRO   1          2HD       PRO   1  10.274  -0.488  -4.633
    9    H    GLN   2           H        GLN   2   7.841   2.793  -1.326
   10    HA   GLN   2           HA       GLN   2  10.014   3.293   0.716
   11   1HB   GLN   2          1HB       GLN   2   7.221   4.556   0.705
   12   2HB   GLN   2          2HB       GLN   2   8.240   4.447   2.130
   13   1HG   GLN   2          1HG       GLN   2  10.049   5.796   0.963
   14   2HG   GLN   2          2HG       GLN   2   8.959   6.000  -0.405
   15   1HE2  GLN   2          1HE2      GLN   2   7.758   8.987   1.234
   16   2HE2  GLN   2          2HE2      GLN   2   8.314   8.127  -0.288
   17    H    ASN   3           H        ASN   3  10.111   0.936   0.660
   18    HA   ASN   3           HA       ASN   3   9.838  -1.051   1.781
   19   1HB   ASN   3          1HB       ASN   3   7.816   0.366   3.565
   20   2HB   ASN   3          2HB       ASN   3   8.280  -1.298   3.831
   21   1HD2  ASN   3          1HD2      ASN   3  11.497  -0.358   5.237
   22   2HD2  ASN   3          2HD2      ASN   3  10.489  -1.715   4.525
   23    H    ALA   4           H        ALA   4   9.147  -2.629   0.505
   24    HA   ALA   4           HA       ALA   4   7.888  -4.364  -0.222
   25   1HB   ALA   4          1HB       ALA   4   7.215  -4.649   2.043
   26   2HB   ALA   4          2HB       ALA   4   5.753  -3.667   1.783
   27   3HB   ALA   4          3HB       ALA   4   5.959  -5.220   0.916
   28    H    LYS   5           H        LYS   5   7.464  -4.079  -2.415
   29    HA   LYS   5           HA       LYS   5   6.725  -3.405  -4.370
   30   1HB   LYS   5          1HB       LYS   5   4.182  -4.041  -2.921
   31   2HB   LYS   5          2HB       LYS   5   3.888  -2.975  -4.214
   32   1HG   LYS   5          1HG       LYS   5   5.401  -5.591  -4.780
   33   2HG   LYS   5          2HG       LYS   5   3.667  -5.472  -4.753
   34   1HD   LYS   5          1HD       LYS   5   4.046  -5.342  -7.008
   35   2HD   LYS   5          2HD       LYS   5   3.797  -3.658  -6.604
   36   1HE   LYS   5          1HE       LYS   5   6.336  -3.317  -6.636
   37   2HE   LYS   5          2HE       LYS   5   6.539  -5.024  -7.065
   38   1HZ   LYS   5          1HZ       LYS   5   5.025  -3.019  -8.677
   39   2HZ   LYS   5          2HZ       LYS   5   6.527  -3.609  -9.035
   40   3HZ   LYS   5          3HZ       LYS   5   5.214  -4.611  -9.079
   41    H    LEU   6           H        LEU   6   4.816  -1.161  -2.359
   42    HA   LEU   6           HA       LEU   6   4.803   1.190  -4.473
   43   1HB   LEU   6          1HB       LEU   6   2.575   0.497  -3.715
   44   2HB   LEU   6          2HB       LEU   6   3.072   1.275  -2.226
   45    HG   LEU   6           HG       LEU   6   3.758   3.334  -3.623
   46   1HD1  LEU   6          1HD1      LEU   6   3.947   2.177  -5.845
   47   2HD1  LEU   6          2HD1      LEU   6   2.198   1.842  -5.845
   48   3HD1  LEU   6          3HD1      LEU   6   2.790   3.519  -5.925
   49   1HD2  LEU   6          1HD2      LEU   6   0.777   2.478  -3.650
   50   2HD2  LEU   6          2HD2      LEU   6   1.621   3.369  -2.359
   51   3HD2  LEU   6          3HD2      LEU   6   1.366   4.140  -3.928
   52    H    LYS   7           H        LYS   7   3.405   1.180  -1.178
   53    HA   LYS   7           HA       LYS   7   5.214   3.162  -0.049
   54   1HB   LYS   7          1HB       LYS   7   3.267   4.432  -1.604
   55   2HB   LYS   7          2HB       LYS   7   2.274   3.918  -0.343
   56   1HG   LYS   7          1HG       LYS   7   2.587   5.983   0.355
   57   2HG   LYS   7          2HG       LYS   7   3.706   5.127   1.395
   58   1HD   LYS   7          1HD       LYS   7   5.639   5.893  -0.052
   59   2HD   LYS   7          2HD       LYS   7   4.516   6.638  -1.172
   60   1HE   LYS   7          1HE       LYS   7   5.395   8.426   0.098
   61   2HE   LYS   7          2HE       LYS   7   3.741   8.231   0.659
   62   1HZ   LYS   7          1HZ       LYS   7   6.178   7.257   2.087
   63   2HZ   LYS   7          2HZ       LYS   7   5.276   8.580   2.494
   64   3HZ   LYS   7          3HZ       LYS   7   4.631   7.065   2.633
   65    H    ILE   8           H        ILE   8   5.445   1.460   1.587
   66    HA   ILE   8           HA       ILE   8   4.915   0.287   3.504
   67    HB   ILE   8           HB       ILE   8   2.377   1.923   3.777
   68   1HG1  ILE   8          1HG1      ILE   8   5.038   2.930   5.069
   69   2HG1  ILE   8          2HG1      ILE   8   4.612   3.370   3.447
   70   1HG2  ILE   8          1HG2      ILE   8   2.588   0.037   5.461
   71   2HG2  ILE   8          2HG2      ILE   8   4.132   0.705   6.050
   72   3HG2  ILE   8          3HG2      ILE   8   2.614   1.612   6.291
   73   1HD1  ILE   8          1HD1      ILE   8   2.521   4.486   4.146
   74   2HD1  ILE   8          2HD1      ILE   8   2.887   4.100   5.849
   75   3HD1  ILE   8          3HD1      ILE   8   3.975   5.182   4.928
   76    H    LYS   9           H        LYS   9   4.590  -1.760   2.349
   77    HA   LYS   9           HA       LYS   9   3.545  -3.758   2.118
   78   1HB   LYS   9          1HB       LYS   9   1.468  -2.662   3.990
   79   2HB   LYS   9          2HB       LYS   9   0.920  -3.981   3.030
   80   1HG   LYS   9          1HG       LYS   9   3.487  -4.255   4.682
   81   2HG   LYS   9          2HG       LYS   9   1.883  -4.487   5.371
   82   1HD   LYS   9          1HD       LYS   9   1.365  -6.307   3.717
   83   2HD   LYS   9          2HD       LYS   9   2.930  -6.100   2.953
   84   1HE   LYS   9          1HE       LYS   9   4.087  -6.776   5.125
   85   2HE   LYS   9          2HE       LYS   9   2.502  -6.989   5.893
   86   1HZ   LYS   9          1HZ       LYS   9   3.455  -8.477   3.490
   87   2HZ   LYS   9          2HZ       LYS   9   3.354  -9.082   5.024
   88   3HZ   LYS   9          3HZ       LYS   9   1.978  -8.675   4.205
   89    H    ARG  10           H        ARG  10   3.459  -3.884   0.029
   90    HA   ARG  10           HA       ARG  10   1.812  -4.437  -2.194
   91   1HB   ARG  10          1HB       ARG  10   0.021  -2.562  -1.275
   92   2HB   ARG  10          2HB       ARG  10   0.617  -2.529  -2.924
   93   1HG   ARG  10          1HG       ARG  10  -0.612  -4.982  -1.451
   94   2HG   ARG  10          2HG       ARG  10  -1.369  -4.039  -2.730
   95   1HD   ARG  10          1HD       ARG  10   1.294  -5.552  -3.146
   96   2HD   ARG  10          2HD       ARG  10  -0.298  -6.311  -3.406
   97   1HH1  ARG  10          1HH1      ARG  10   1.198  -6.878  -5.092
   98   2HH1  ARG  10          2HH1      ARG  10   1.402  -6.686  -6.917
   99   1HH2  ARG  10          1HH2      ARG  10  -0.029  -3.618  -6.751
  100   2HH2  ARG  10          2HH2      ARG  10   0.737  -4.915  -7.824
  101    HA   PRO  11           HA       PRO  11   1.461   0.269  -3.918
  102   1HB   PRO  11          1HB       PRO  11  -1.463  -0.686  -3.788
  103   2HB   PRO  11          2HB       PRO  11  -0.876   0.520  -4.877
  104   1HG   PRO  11          1HG       PRO  11  -1.069  -1.975  -5.825
  105   2HG   PRO  11          2HG       PRO  11   0.540  -1.219  -6.048
  106   1HD   PRO  11          1HD       PRO  11  -0.333  -3.240  -3.938
  107   2HD   PRO  11          2HD       PRO  11   1.220  -3.132  -4.807
  108    H    VAL  12           H        VAL  12  -0.951   1.841  -2.934
  109    HA   VAL  12           HA       VAL  12   0.695   2.962  -0.816
  110    HB   VAL  12           HB       VAL  12  -1.971   4.085  -1.703
  111   1HG1  VAL  12          1HG1      VAL  12  -1.217   5.047   0.491
  112   2HG1  VAL  12          2HG1      VAL  12   0.306   5.590  -0.234
  113   3HG1  VAL  12          3HG1      VAL  12  -1.254   6.293  -0.767
  114   1HG2  VAL  12          1HG2      VAL  12  -0.365   3.976  -3.641
  115   2HG2  VAL  12          2HG2      VAL  12  -0.748   5.655  -3.228
  116   3HG2  VAL  12          3HG2      VAL  12   0.823   4.939  -2.748
  117    H    LYS  13           H        LYS  13   0.636   2.119   1.220
  118    HA   LYS  13           HA       LYS  13   0.083   1.272   3.182
  119   1HB   LYS  13          1HB       LYS  13  -0.754   3.669   3.226
  120   2HB   LYS  13          2HB       LYS  13  -2.391   3.056   3.136
  121   1HG   LYS  13          1HG       LYS  13  -0.435   2.116   5.355
  122   2HG   LYS  13          2HG       LYS  13  -1.068   3.716   5.446
  123   1HD   LYS  13          1HD       LYS  13  -2.974   1.269   5.220
  124   2HD   LYS  13          2HD       LYS  13  -2.190   1.674   6.734
  125   1HE   LYS  13          1HE       LYS  13  -3.221   3.930   6.780
  126   2HE   LYS  13          2HE       LYS  13  -4.003   3.635   5.219
  127   1HZ   LYS  13          1HZ       LYS  13  -4.469   2.034   7.700
  128   2HZ   LYS  13          2HZ       LYS  13  -5.509   3.151   7.067
  129   3HZ   LYS  13          3HZ       LYS  13  -5.198   1.752   6.244
  130    H    VAL  14           H        VAL  14  -0.158  -0.854   2.248
  131    HA   VAL  14           HA       VAL  14  -0.872  -2.933   2.840
  132    HB   VAL  14           HB       VAL  14  -3.489  -2.037   4.053
  133   1HG1  VAL  14          1HG1      VAL  14  -3.531  -4.458   3.378
  134   2HG1  VAL  14          2HG1      VAL  14  -2.106  -4.787   4.381
  135   3HG1  VAL  14          3HG1      VAL  14  -3.648  -4.280   5.138
  136   1HG2  VAL  14          1HG2      VAL  14  -1.548  -1.115   5.343
  137   2HG2  VAL  14          2HG2      VAL  14  -2.461  -2.285   6.310
  138   3HG2  VAL  14          3HG2      VAL  14  -0.894  -2.746   5.576
  139    H    GLN  15           H        GLN  15  -0.732  -3.340   0.559
  140    HA   GLN  15           HA       GLN  15  -1.332  -3.889  -1.524
  141   1HB   GLN  15          1HB       GLN  15  -4.074  -4.568  -0.267
  142   2HB   GLN  15          2HB       GLN  15  -3.739  -4.853  -1.960
  143   1HG   GLN  15          1HG       GLN  15  -2.192  -6.134   0.322
  144   2HG   GLN  15          2HG       GLN  15  -3.564  -6.840  -0.519
  145   1HE2  GLN  15          1HE2      GLN  15  -0.675  -8.490  -2.037
  146   2HE2  GLN  15          2HE2      GLN  15  -1.611  -8.413  -0.461
  147    HA   PRO  16           HA       PRO  16  -3.358  -0.010  -3.530
  148   1HB   PRO  16          1HB       PRO  16  -6.159  -1.263  -3.813
  149   2HB   PRO  16          2HB       PRO  16  -5.390  -0.065  -4.878
  150   1HG   PRO  16          1HG       PRO  16  -5.265  -2.671  -5.580
  151   2HG   PRO  16          2HG       PRO  16  -3.795  -1.658  -5.721
  152   1HD   PRO  16          1HD       PRO  16  -4.398  -3.769  -3.711
  153   2HD   PRO  16          2HD       PRO  16  -2.863  -3.189  -4.293
  154    H    ILE  17           H        ILE  17  -5.793   1.456  -3.188
  155    HA   ILE  17           HA       ILE  17  -4.100   2.812  -1.301
  156    HB   ILE  17           HB       ILE  17  -6.481   3.792  -2.957
  157   1HG1  ILE  17          1HG1      ILE  17  -4.653   5.143  -4.275
  158   2HG1  ILE  17          2HG1      ILE  17  -3.446   4.272  -3.357
  159   1HG2  ILE  17          1HG2      ILE  17  -6.290   5.311  -0.977
  160   2HG2  ILE  17          2HG2      ILE  17  -4.600   5.669  -1.372
  161   3HG2  ILE  17          3HG2      ILE  17  -5.918   6.172  -2.474
  162   1HD1  ILE  17          1HD1      ILE  17  -5.422   3.103  -5.424
  163   2HD1  ILE  17          2HD1      ILE  17  -3.695   3.465  -5.675
  164   3HD1  ILE  17          3HD1      ILE  17  -4.170   2.159  -4.565
  165    H    ALA  18           H        ALA  18  -4.295   2.715   0.886
  166    HA   ALA  18           HA       ALA  18  -5.021   3.053   3.002
  167   1HB   ALA  18          1HB       ALA  18  -5.851   5.183   2.273
  168   2HB   ALA  18          2HB       ALA  18  -7.466   4.494   1.957
  169   3HB   ALA  18          3HB       ALA  18  -6.822   4.530   3.620
  170    H    ARG  19           H        ARG  19  -5.052   0.704   3.107
  171    HA   ARG  19           HA       ARG  19  -5.793  -1.233   4.040
  172   1HB   ARG  19          1HB       ARG  19  -6.831   0.255   5.803
  173   2HB   ARG  19          2HB       ARG  19  -8.372   0.088   4.981
  174   1HG   ARG  19          1HG       ARG  19  -8.225  -2.457   5.393
  175   2HG   ARG  19          2HG       ARG  19  -6.728  -2.173   6.264
  176   1HD   ARG  19          1HD       ARG  19  -8.324  -2.372   7.983
  177   2HD   ARG  19          2HD       ARG  19  -8.085  -0.633   7.901
  178    HE   ARG  19           HE       ARG  19 -10.347  -1.320   6.186
  179   1HH1  ARG  19          2HH1      ARG  19  -9.673  -1.283   9.724
  180   2HH1  ARG  19          1HH1      ARG  19 -11.468  -1.071  10.039
  181   1HH2  ARG  19          1HH2      ARG  19 -12.313  -1.083   6.711
  182   2HH2  ARG  19          2HH2      ARG  19 -12.841  -0.967   8.464
  183    H    ARG  20           H        ARG  20  -5.793  -1.324   1.454
  184    HA   ARG  20           HA       ARG  20  -6.588  -2.827  -0.366
  185   1HB   ARG  20          1HB       ARG  20  -8.204  -4.387  -0.089
  186   2HB   ARG  20          2HB       ARG  20  -7.756  -4.165   1.592
  187   1HG   ARG  20          1HG       ARG  20 -10.122  -2.614   0.295
  188   2HG   ARG  20          2HG       ARG  20 -10.319  -4.217   0.996
  189   1HD   ARG  20          1HD       ARG  20  -9.504  -3.342   3.228
  190   2HD   ARG  20          2HD       ARG  20  -9.252  -1.732   2.505
  191   1HH1  ARG  20          1HH1      ARG  20 -10.070  -1.093   4.351
  192   2HH1  ARG  20          2HH1      ARG  20 -11.563  -0.328   5.122
  193   1HH2  ARG  20          1HH2      ARG  20 -13.539  -1.917   2.874
  194   2HH2  ARG  20          2HH2      ARG  20 -13.451  -0.772   4.324
  195    H    VAL  21           H        VAL  21 -10.185  -1.395   0.374
  196    HA   VAL  21           HA       VAL  21  -9.665  -1.773  -2.564
  197    HB   VAL  21           HB       VAL  21 -11.823  -2.639  -3.029
  198   1HG1  VAL  21          1HG1      VAL  21  -9.868  -4.163  -3.046
  199   2HG1  VAL  21          2HG1      VAL  21 -10.251  -4.696  -1.394
  200   3HG1  VAL  21          3HG1      VAL  21 -11.381  -5.036  -2.737
  201   1HG2  VAL  21          1HG2      VAL  21 -13.155  -2.191  -0.931
  202   2HG2  VAL  21          2HG2      VAL  21 -13.328  -3.864  -1.484
  203   3HG2  VAL  21          3HG2      VAL  21 -12.268  -3.483  -0.097
  204    H    TYR  22          1H        TYR  22 -10.172   2.478  -4.488
  205    H    TYR  22          2H        TYR  22  -9.214   0.474  -2.367
  206    HA   TYR  22           HA       TYR  22 -11.243   2.720  -1.677
  207   1HB   TYR  22          1HB       TYR  22  -9.139   3.446  -1.227
  208   2HB   TYR  22          2HB       TYR  22  -8.566   3.042  -2.820
  209    HD1  TYR  22           HD1      TYR  22  -9.247   4.344  -4.833
  210    HD2  TYR  22           HD2      TYR  22 -10.662   5.400  -0.913
  211    HE1  TYR  22           HE1      TYR  22  -9.942   6.560  -5.669
  212    HE2  TYR  22           HE2      TYR  22 -11.344   7.604  -1.755
  213    HH   TYR  22           HH       TYR  22 -11.451   8.943  -3.515
   
  No H/Q in entry =         213