*HEADER    DE NOVO PROTEIN                         25-OCT-17   6BEQ              
*TITLE     SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN10.1                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: AAR(DVA)(DPR)R(DLE)(DTH)PE;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_TAXID: 9606                                                 
*KEYWDS    MACROCYCLE, DE NOVO, DE NOVO PROTEIN                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.D.SHORTRIDGE,P.HOSSEINZADEH,F.PARDO-AVILA,G.VARANI,D.BAKER          
*REVDAT   1   10-JAN-18 6BEQ    0                                                
# Restraints file 1: bipolar_noe.tbl
!-------------------------------------------------------------------------!
!NOE Table for Bipolar peptide !
!Updated 101216 mds
!Bipolar, 10mer ALA ALA ARG val pro ARG leu thr PRO GLU
!Upper case L-Amino Acid
!Lower case D-Amino Acid
!
!! NOE binning !!
!strong     2.5 0.7 0.7
!medium     3.5 1.2 1.2
!weak       4.5 1.6 1.6
!very weak  5.0 2.0 2.0

!TOTAL NOES                =  100
!long range          (j-i >6)  = 13
!short range    (2 > j-i < 5)  = 10 
!sequential          (i to j)  = 40 
!intraresidue        (i to i)  = 37

!------------------------------------------------------------------------!
!*** Bacbone NOE***!
!HN-HA
 assign ( resid  1 and name HA   ) ( resid  1 and name HN   ) 3.5 1.2 1.2
 assign ( resid  1 and name HA   ) ( resid  2 and name HN   ) 3.5 1.2 1.2
 assign ( resid  1 and name HA   ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HA   ) ( resid  2 and name HN   ) 3.5 1.2 1.2
 assign ( resid  2 and name HA   ) ( resid  3 and name HN   ) 3.5 1.2 1.2
 assign ( resid  3 and name HA   ) ( resid  3 and name HN   ) 3.5 1.2 1.2
 assign ( resid  4 and name HA   ) ( resid  4 and name HN   ) 3.5 1.2 1.2
 assign ( resid  5 and name HA   ) ( resid  6 and name HN   ) 2.5 0.7 0.7
 assign ( resid  6 and name HA   ) ( resid  6 and name HN   ) 3.5 1.2 1.2
 assign ( resid  6 and name HA   ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HA   ) ( resid  8 and name HN   ) 2.5 0.7 0.7
 assign ( resid  7 and name HA   ) ( resid  7 and name HN   ) 3.5 1.2 1.2
 assign ( resid  8 and name HA   ) ( resid  8 and name HN   ) 3.5 1.2 1.2
 assign ( resid  9 and name HA   ) ( resid 10 and name HN   ) 3.5 1.2 1.2
 assign ( resid  9 and name HA   ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HA   ) ( resid  1 and name HN   ) 3.5 1.2 1.2
 assign ( resid 10 and name HA   ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HA   ) ( resid 10 and name HN   ) 3.5 1.2 1.2

!HA-HA

!HN-HN
 assign ( resid  1 and name HN   ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  1 and name HN   ) ( resid 10 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HN   ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HN   ) ( resid  3 and name HN   ) 3.5 1.2 1.2
 assign ( resid  4 and name HN   ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HN   ) ( resid  6 and name HN   ) 3.5 1.2 1.2
 assign ( resid  7 and name HN   ) ( resid  8 and name HN   ) 4.5 1.6 1.6

!*** SideChain NOE***!
! ALA 1
 assign ( resid  1 and name HB#  ) ( resid  1 and name HN   ) 3.5 1.2 1.2
 assign ( resid  1 and name HB#  ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 
! ALA 2
 assign ( resid  2 and name HB#  ) ( resid  2 and name HN   ) 3.5 1.2 1.2
 assign ( resid  2 and name HB#  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HB#  ) ( resid  4 and name HN   ) 4.5 1.6 1.6

! ARG 3
 assign ( resid  3 and name HB#  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HB#  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HD#  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HD#  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HE   ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HG2  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HG2  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HG1  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HG1  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HG1  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 
! val 4 
 assign ( resid  4 and name HB   ) ( resid  4 and name HN   ) 3.5 1.2 1.2
 assign ( resid  4 and name HG#  ) ( resid  4 and name HN   ) 3.5 1.2 1.2
 assign ( resid  4 and name HB   ) ( resid  1 and name HA   ) 4.5 1.6 1.6
 assign ( resid  4 and name HB   ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HG#  ) ( resid  3 and name HN   ) 4.5 1.6 1.6

! pro 5
 assign ( resid  5 and name HB#  ) ( resid  5 and name HA   ) 3.5 1.2 1.2
 assign ( resid  5 and name HD2  ) ( resid  4 and name HA   ) 3.5 1.2 1.2
 assign ( resid  5 and name HD1  ) ( resid  4 and name HA   ) 3.5 1.2 1.2
! assign ( resid  5 and name HB#  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
! assign ( resid  5 and name HD2  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HD2  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
! assign ( resid  5 and name HD2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
! assign ( resid  5 and name HD1  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HD1  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
! assign ( resid  5 and name HD1  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG2  ) ( resid  5 and name HD1  ) 4.5 1.6 1.6
 assign ( resid  5 and name HG1  ) ( resid  5 and name HD1  ) 3.5 1.2 1.2
 assign ( resid  5 and name HG1  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 
! ARG 6
 assign ( resid  6 and name HB#  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB#  ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HD#  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HE   ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1  ) ( resid  6 and name HE   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 
! leu 7
 assign ( resid  7 and name HB#  ) ( resid  8 and name HN   ) 3.5 1.2 1.2
 assign ( resid  7 and name HG#  ) ( resid  7 and name HN   ) 3.5 1.2 1.2
 assign ( resid  7 and name HB#  ) ( resid  1 and name HA   ) 4.5 1.6 1.6
 assign ( resid  7 and name HB#  ) ( resid  7 and name HA   ) 3.5 1.2 1.2
 assign ( resid  7 and name HB#  ) ( resid  7 and name HN   ) 3.5 1.2 1.2
 assign ( resid  7 and name HD2# ) ( resid  1 and name HA   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2# ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2# ) ( resid  2 and name HN   ) 5.0 2.0 2.0
 assign ( resid  7 and name HD2# ) ( resid  5 and name HD1  ) 4.5 1.6 1.6
 !assign ( resid  7 and name HD2# ) ( resid  6 and name HE   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2# ) ( resid  6 and name HN   ) 5.0 2.0 2.0
 assign ( resid  7 and name HD2# ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2# ) ( resid  9 and name HB#  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD1# ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HG   ) ( resid  1 and name HA   ) 4.5 1.6 1.6
 assign ( resid  7 and name HG   ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HG   ) ( resid 10 and name HN   ) 4.5 1.6 1.6
 
 ! thr 8
 assign ( resid  8 and name HB   ) ( resid  8 and name HN   ) 3.5 1.2 1.2
 assign ( resid  8 and name HG2# ) ( resid  6 and name HE   ) 4.5 1.6 1.6
 assign ( resid  8 and name HG2# ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HG2# ) ( resid  9 and name HB#  ) 4.5 1.6 1.6
 assign ( resid  8 and name HG2# ) ( resid  9 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  8 and name HG2# ) ( resid  9 and name HD1  ) 4.5 1.6 1.6

! PRO 9
 assign ( resid  9 and name HG2  ) ( resid  9 and name HD2  ) 3.5 1.2 1.2
 assign ( resid  9 and name HG1  ) ( resid  9 and name HD2  ) 3.5 1.2 1.2
 assign ( resid  9 and name HB1  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HB1  ) ( resid  9 and name HA   ) 3.5 1.2 1.2
 assign ( resid  9 and name HB1  ) ( resid 10 and name HN   ) 4.5 1.6 1.6
! assign ( resid  9 and name HD2  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HD2  ) ( resid  8 and name HA   ) 3.5 1.2 1.2
 assign ( resid  9 and name HD2  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HD2  ) ( resid 10 and name HN   ) 4.5 1.6 1.6
! assign ( resid  9 and name HD1  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HD1  ) ( resid  8 and name HA   ) 4.5 1.6 1.6
 assign ( resid  9 and name HD1  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HD1  ) ( resid 10 and name HN   ) 4.5 1.6 1.6

! GLU 10
 assign ( resid 10 and name HB2  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HB2  ) ( resid 10 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HB1  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HB1  ) ( resid 10 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HG#  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HG#  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HG#  ) ( resid 10 and name HN   ) 4.5 1.6 1.6
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H1       ALA   1  24.350  24.510  11.990
    2    HA   ALA   1           HA       ALA   1  24.890  26.550  13.480
    3    HB1  ALA   1           HB1      ALA   1  24.790  26.350  11.010
    4    HB2  ALA   1           HB2      ALA   1  24.230  27.890  11.850
    5    HB3  ALA   1           HB3      ALA   1  23.100  26.650  11.110
    6    H    ALA   2           H        ALA   2  21.560  25.310  13.090
    7    HA   ALA   2           HA       ALA   2  20.130  27.270  14.420
    8    HB1  ALA   2           HB1      ALA   2  19.990  24.150  14.360
    9    HB2  ALA   2           HB2      ALA   2  19.390  25.290  13.080
   10    HB3  ALA   2           HB3      ALA   2  18.580  25.240  14.600
   11    H    ARG   3           H        ARG   3  22.410  25.240  15.910
   12    HA   ARG   3           HA       ARG   3  21.530  26.250  18.550
   13    HB2  ARG   3           HB2      ARG   3  22.230  24.160  19.630
   14    HB3  ARG   3           HB1      ARG   3  20.750  24.070  18.800
   15    HG2  ARG   3           HG2      ARG   3  22.060  22.950  16.900
   16    HG3  ARG   3           HG1      ARG   3  23.530  23.100  17.890
   17    HD2  ARG   3           HD2      ARG   3  22.180  21.720  19.670
   18    HD3  ARG   3           HD1      ARG   3  21.010  21.420  18.380
   19    HE   ARG   3           HE       ARG   3  23.500  20.110  18.790
   20   HH11  ARG   3          1HH1      ARG   3  24.410  18.780  17.230
   21   HH12  ARG   3          2HH1      ARG   3  23.540  18.580  15.740
   22   HH21  ARG   3          1HH2      ARG   3  21.230  21.000  16.170
   23   HH22  ARG   3          2HH2      ARG   3  21.910  19.810  15.100
   24    H    DVA   4           H        DVA   4  24.260  25.850  16.420
   25    HA   DVA   4           HA       DVA   4  26.040  26.550  18.750
   26    HB   DVA   4           HB       DVA   4  25.950  27.860  16.060
   27   HG11  DVA   4          1HG1      DVA   4  25.540  30.040  17.630
   28   HG12  DVA   4          2HG1      DVA   4  25.090  28.780  18.780
   29   HG13  DVA   4          3HG1      DVA   4  24.270  28.880  17.200
   30   HG21  DVA   4          1HG2      DVA   4  28.210  27.740  16.770
   31   HG22  DVA   4          2HG2      DVA   4  27.800  28.400  18.370
   32   HG23  DVA   4          3HG2      DVA   4  27.680  29.360  16.850
   33    HA   DPR   5           HA       DPR   5  27.690  22.940  16.970
   34    HB2  DPR   5           HB1      DPR   5  29.780  22.420  18.690
   35    HB3  DPR   5           HB2      DPR   5  28.100  21.940  19.010
   36    HG2  DPR   5           HG1      DPR   5  29.490  24.340  20.130
   37    HG3  DPR   5           HG2      DPR   5  28.400  23.320  20.950
   38    HD2  DPR   5           HD1      DPR   5  27.500  25.670  19.880
   39    HD3  DPR   5           HD2      DPR   5  26.510  24.260  19.910
   40    H    ARG   6           H        ARG   6  29.330  22.250  15.560
   41    HA   ARG   6           HA       ARG   6  31.740  24.010  15.380
   42    HB2  ARG   6           HB2      ARG   6  32.710  22.240  14.280
   43    HB3  ARG   6           HB1      ARG   6  31.610  21.490  15.440
   44    HG2  ARG   6           HG2      ARG   6  29.950  21.350  13.350
   45    HG3  ARG   6           HG1      ARG   6  31.370  21.830  12.450
   46    HD2  ARG   6           HD2      ARG   6  32.520  19.830  13.010
   47    HD3  ARG   6           HD1      ARG   6  31.320  19.500  14.360
   48    HE   ARG   6           HE       ARG   6  30.970  19.000  11.460
   49   HH11  ARG   6          1HH1      ARG   6  29.550  17.370  11.040
   50   HH12  ARG   6          2HH1      ARG   6  28.280  16.990  12.210
   51   HH21  ARG   6          1HH2      ARG   6  29.230  19.270  14.590
   52   HH22  ARG   6          2HH2      ARG   6  28.170  17.890  14.090
   53    H    DLE   7           H        DLE   7  28.790  24.600  14.310
   54    HA   DLE   7           HA       DLE   7  29.700  25.670  11.660
   55    HB2  DLE   7           HB1      DLE   7  27.050  26.140  13.040
   56    HB3  DLE   7           HB2      DLE   7  27.610  26.820  11.630
   57    HG   DLE   7           HG       DLE   7  28.650  27.140  14.500
   58   HD11  DLE   7          1HD1      DLE   7  30.350  28.100  12.260
   59   HD12  DLE   7          2HD1      DLE   7  30.840  27.000  13.620
   60   HD13  DLE   7          3HD1      DLE   7  30.490  28.740  13.780
   61   HD21  DLE   7          1HD2      DLE   7  28.180  29.400  14.190
   62   HD22  DLE   7          2HD2      DLE   7  26.810  28.580  13.460
   63   HD23  DLE   7          3HD2      DLE   7  28.120  29.170  12.420
   64    H    DTH   8           H        DTH   8  28.370  25.260   9.580
   65    HA   DTH   8           HA       DTH   8  28.210  22.500   9.330
   66    HB   DTH   8           HB       DTH   8  28.850  23.910   7.680
   67   HG21  DTH   8          1HG2      DTH   8  26.130  22.590   7.000
   68   HG22  DTH   8          2HG2      DTH   8  27.760  22.020   6.620
   69   HG23  DTH   8          3HG2      DTH   8  27.230  23.360   5.760
   70    HG1  DTH   8           HG1      DTH   8  28.000  25.560   7.150
   71    HA   PRO   9           HA       PRO   9  23.840  21.600   9.490
   72    HB2  PRO   9           HB2      PRO   9  23.850  19.420  11.060
   73    HB3  PRO   9           HB1      PRO   9  24.190  19.370   9.330
   74    HG2  PRO   9           HG2      PRO   9  26.140  19.370  11.790
   75    HG3  PRO   9           HG1      PRO   9  26.290  18.430  10.240
   76    HD2  PRO   9           HD2      PRO   9  27.550  20.810  10.810
   77    HD3  PRO   9           HD1      PRO   9  27.170  20.030   9.200
   78    H    GLU  10           H        GLU  10  25.990  22.330  12.190
   79    HA   GLU  10           HA       GLU  10  23.750  22.020  14.140
   80    HB2  GLU  10           HB2      GLU  10  26.670  22.820  14.680
   81    HB3  GLU  10           HB1      GLU  10  25.400  22.550  15.820
   82    HG2  GLU  10           HG2      GLU  10  25.390  20.080  14.580
   83    HG3  GLU  10           HG1      GLU  10  26.860  20.690  13.930
  Start of MODEL    2
    1    H1   ALA   1           H1       ALA   1  24.062  24.476  12.022
    2    HA   ALA   1           HA       ALA   1  24.970  26.394  13.966
    3    HB1  ALA   1           HB1      ALA   1  25.184  26.146  11.398
    4    HB2  ALA   1           HB2      ALA   1  25.018  27.739  12.104
    5    HB3  ALA   1           HB3      ALA   1  23.578  26.872  11.336
    6    H    ALA   2           H        ALA   2  21.814  25.014  13.597
    7    HA   ALA   2           HA       ALA   2  20.279  27.365  14.171
    8    HB1  ALA   2           HB1      ALA   2  19.650  24.463  14.306
    9    HB2  ALA   2           HB2      ALA   2  19.199  25.565  13.022
   10    HB3  ALA   2           HB3      ALA   2  18.550  25.869  14.662
   11    H    ARG   3           H        ARG   3  22.311  25.050  15.853
   12    HA   ARG   3           HA       ARG   3  21.676  26.205  18.547
   13    HB2  ARG   3           HB2      ARG   3  21.840  24.031  19.552
   14    HB3  ARG   3           HB1      ARG   3  20.510  24.202  18.458
   15    HG2  ARG   3           HG2      ARG   3  21.640  22.742  16.792
   16    HG3  ARG   3           HG1      ARG   3  23.190  23.064  17.625
   17    HD2  ARG   3           HD2      ARG   3  22.353  21.767  19.565
   18    HD3  ARG   3           HD1      ARG   3  20.878  21.483  18.785
   19    HE   ARG   3           HE       ARG   3  21.939  19.799  17.488
   20   HH11  ARG   3          1HH1      ARG   3  23.419  18.995  16.211
   21   HH12  ARG   3          2HH1      ARG   3  25.159  19.454  16.447
   22   HH21  ARG   3          1HH2      ARG   3  24.555  21.553  19.075
   23   HH22  ARG   3          2HH2      ARG   3  25.741  20.900  17.913
   24    H    DVA   4           H        DVA   4  24.040  26.643  16.621
   25    HA   DVA   4           HA       DVA   4  25.949  26.661  18.817
   26    HB   DVA   4           HB       DVA   4  26.108  27.930  16.096
   27   HG11  DVA   4          1HG1      DVA   4  25.595  29.000  18.843
   28   HG12  DVA   4          2HG1      DVA   4  24.488  29.039  17.431
   29   HG13  DVA   4          3HG1      DVA   4  25.885  29.924  17.302
   30   HG21  DVA   4          1HG2      DVA   4  28.039  29.158  17.231
   31   HG22  DVA   4          2HG2      DVA   4  28.313  27.492  16.703
   32   HG23  DVA   4          3HG2      DVA   4  27.962  27.834  18.466
   33    HA   DPR   5           HA       DPR   5  27.750  22.928  17.019
   34    HB2  DPR   5           HB1      DPR   5  29.797  22.540  18.729
   35    HB3  DPR   5           HB2      DPR   5  28.006  22.241  19.112
   36    HG2  DPR   5           HG1      DPR   5  29.746  24.738  19.648
   37    HG3  DPR   5           HG2      DPR   5  28.846  23.713  20.838
   38    HD2  DPR   5           HD1      DPR   5  27.660  25.963  19.736
   39    HD3  DPR   5           HD2      DPR   5  26.716  24.478  19.956
   40    H    ARG   6           H        ARG   6  29.482  22.394  15.734
   41    HA   ARG   6           HA       ARG   6  31.662  24.190  15.491
   42    HB2  ARG   6           HB2      ARG   6  32.738  22.585  14.181
   43    HB3  ARG   6           HB1      ARG   6  31.984  21.694  15.285
   44    HG2  ARG   6           HG2      ARG   6  30.100  21.861  13.140
   45    HG3  ARG   6           HG1      ARG   6  31.668  21.813  12.354
   46    HD2  ARG   6           HD2      ARG   6  32.263  19.686  13.485
   47    HD3  ARG   6           HD1      ARG   6  30.818  19.713  14.383
   48    HE   ARG   6           HE       ARG   6  31.016  19.340  11.420
   49   HH11  ARG   6          1HH1      ARG   6  29.834  17.561  10.612
   50   HH12  ARG   6          2HH1      ARG   6  28.300  17.241  11.442
   51   HH21  ARG   6          1HH2      ARG   6  28.858  19.325  14.095
   52   HH22  ARG   6          2HH2      ARG   6  27.734  18.152  13.417
   53    H    DLE   7           H        DLE   7  28.565  24.047  14.026
   54    HA   DLE   7           HA       DLE   7  29.452  25.516  11.578
   55    HB2  DLE   7           HB1      DLE   7  27.082  26.161  13.302
   56    HB3  DLE   7           HB2      DLE   7  27.507  26.933  11.841
   57    HG   DLE   7           HG       DLE   7  29.089  27.184  14.349
   58   HD11  DLE   7          1HD1      DLE   7  30.602  27.479  12.355
   59   HD12  DLE   7          2HD1      DLE   7  30.389  28.852  13.279
   60   HD13  DLE   7          3HD1      DLE   7  29.339  28.734  11.788
   61   HD21  DLE   7          1HD2      DLE   7  28.085  29.332  14.391
   62   HD22  DLE   7          2HD2      DLE   7  26.685  28.195  14.138
   63   HD23  DLE   7          3HD2      DLE   7  27.343  29.177  12.862
   64    H    DTH   8           H        DTH   8  27.656  25.799   9.926
   65    HA   DTH   8           HA       DTH   8  27.616  23.253   8.939
   66    HB   DTH   8           HB       DTH   8  26.133  25.827   8.216
   67   HG21  DTH   8          1HG2      DTH   8  27.612  25.791   6.253
   68   HG22  DTH   8          2HG2      DTH   8  28.479  24.330   6.984
   69   HG23  DTH   8          3HG2      DTH   8  28.458  25.904   7.801
   70    HG1  DTH   8           HG1      DTH   8  24.957  24.397   7.126
   71    HA   PRO   9           HA       PRO   9  23.618  21.574   9.594
   72    HB2  PRO   9           HB2      PRO   9  25.275  19.261  10.614
   73    HB3  PRO   9           HB1      PRO   9  23.802  19.363   9.578
   74    HG2  PRO   9           HG2      PRO   9  26.423  19.037   8.557
   75    HG3  PRO   9           HG1      PRO   9  25.310  20.049   7.643
   76    HD2  PRO   9           HD2      PRO   9  27.244  20.929   9.752
   77    HD3  PRO   9           HD1      PRO   9  27.037  21.617   8.153
   78    H    GLU  10           H        GLU  10  25.563  22.638  11.905
   79    HA   GLU  10           HA       GLU  10  23.816  21.822  14.205
   80    HB2  GLU  10           HB2      GLU  10  26.553  23.109  14.396
   81    HB3  GLU  10           HB1      GLU  10  25.501  22.424  15.659
   82    HG2  GLU  10           HG2      GLU  10  25.764  20.150  14.423
   83    HG3  GLU  10           HG1      GLU  10  26.996  20.923  13.538
  Start of MODEL    3
    1    H1   ALA   1           H1       ALA   1  24.262  24.619  12.027
    2    HA   ALA   1           HA       ALA   1  24.728  26.727  13.631
    3    HB1  ALA   1           HB1      ALA   1  24.034  28.160  11.630
    4    HB2  ALA   1           HB2      ALA   1  22.949  26.938  11.130
    5    HB3  ALA   1           HB3      ALA   1  24.689  26.609  10.974
    6    H    ALA   2           H        ALA   2  21.476  25.318  13.043
    7    HA   ALA   2           HA       ALA   2  20.108  27.348  14.434
    8    HB1  ALA   2           HB1      ALA   2  19.453  24.416  14.179
    9    HB2  ALA   2           HB2      ALA   2  19.047  25.604  12.917
   10    HB3  ALA   2           HB3      ALA   2  18.400  25.706  14.607
   11    H    ARG   3           H        ARG   3  22.299  25.094  15.794
   12    HA   ARG   3           HA       ARG   3  21.432  25.816  18.482
   13    HB2  ARG   3           HB2      ARG   3  21.802  23.414  19.105
   14    HB3  ARG   3           HB1      ARG   3  20.379  23.744  18.209
   15    HG2  ARG   3           HG2      ARG   3  21.511  22.960  16.102
   16    HG3  ARG   3           HG1      ARG   3  22.959  22.578  16.996
   17    HD2  ARG   3           HD2      ARG   3  21.728  20.959  18.264
   18    HD3  ARG   3           HD1      ARG   3  20.215  21.326  17.415
   19    HE   ARG   3           HE       ARG   3  20.976  20.298  15.493
   20   HH11  ARG   3          1HH1      ARG   3  22.200  18.890  14.372
   21   HH12  ARG   3          2HH1      ARG   3  23.821  18.324  14.974
   22   HH21  ARG   3          1HH2      ARG   3  23.347  19.460  18.052
   23   HH22  ARG   3          2HH2      ARG   3  24.441  18.856  16.830
   24    H    DVA   4           H        DVA   4  24.416  25.053  16.705
   25    HA   DVA   4           HA       DVA   4  25.843  26.306  19.006
   26    HB   DVA   4           HB       DVA   4  25.888  27.291  16.212
   27   HG11  DVA   4          1HG1      DVA   4  23.749  27.890  17.318
   28   HG12  DVA   4          2HG1      DVA   4  24.681  29.266  17.010
   29   HG13  DVA   4          3HG1      DVA   4  24.730  28.592  18.690
   30   HG21  DVA   4          1HG2      DVA   4  27.192  29.202  17.171
   31   HG22  DVA   4          2HG2      DVA   4  28.064  27.686  17.392
   32   HG23  DVA   4          3HG2      DVA   4  27.062  28.423  18.716
   33    HA   DPR   5           HA       DPR   5  28.451  23.173  17.774
   34    HB2  DPR   5           HB1      DPR   5  30.662  24.334  19.334
   35    HB3  DPR   5           HB2      DPR   5  29.695  22.759  19.574
   36    HG2  DPR   5           HG1      DPR   5  29.413  24.958  21.251
   37    HG3  DPR   5           HG2      DPR   5  28.089  23.768  20.899
   38    HD2  DPR   5           HD1      DPR   5  28.593  26.496  19.702
   39    HD3  DPR   5           HD2      DPR   5  27.087  25.635  20.216
   40    H    ARG   6           H        ARG   6  29.810  22.847  16.136
   41    HA   ARG   6           HA       ARG   6  31.887  24.734  15.567
   42    HB2  ARG   6           HB2      ARG   6  33.252  22.950  14.992
   43    HB3  ARG   6           HB1      ARG   6  32.500  22.508  16.452
   44    HG2  ARG   6           HG2      ARG   6  30.814  21.149  15.312
   45    HG3  ARG   6           HG1      ARG   6  31.471  21.819  13.790
   46    HD2  ARG   6           HD2      ARG   6  33.587  20.693  14.206
   47    HD3  ARG   6           HD1      ARG   6  32.746  19.818  15.564
   48    HE   ARG   6           HE       ARG   6  31.375  19.522  13.010
   49   HH11  ARG   6          1HH1      ARG   6  31.605  17.717  11.578
   50   HH12  ARG   6          2HH1      ARG   6  33.101  16.807  11.668
   51   HH21  ARG   6          1HH2      ARG   6  34.464  18.478  14.326
   52   HH22  ARG   6          2HH2      ARG   6  34.684  17.332  12.992
   53    H    DLE   7           H        DLE   7  29.270  23.348  13.800
   54    HA   DLE   7           HA       DLE   7  29.925  25.019  11.418
   55    HB2  DLE   7           HB1      DLE   7  27.641  24.922  13.342
   56    HB3  DLE   7           HB2      DLE   7  27.488  25.759  11.800
   57    HG   DLE   7           HG       DLE   7  29.560  26.608  13.779
   58   HD11  DLE   7          1HD1      DLE   7  27.931  27.967  11.574
   59   HD12  DLE   7          2HD1      DLE   7  29.667  27.538  11.388
   60   HD13  DLE   7          3HD1      DLE   7  29.266  28.838  12.435
   61   HD21  DLE   7          1HD2      DLE   7  28.141  28.245  14.635
   62   HD22  DLE   7          2HD2      DLE   7  27.446  26.561  14.811
   63   HD23  DLE   7          3HD2      DLE   7  26.743  27.714  13.647
   64    H    DTH   8           H        DTH   8  28.612  24.637   9.640
   65    HA   DTH   8           HA       DTH   8  27.811  21.958   9.152
   66    HB   DTH   8           HB       DTH   8  27.221  24.466   7.484
   67   HG21  DTH   8          1HG2      DTH   8  29.212  23.933   6.205
   68   HG22  DTH   8          2HG2      DTH   8  29.605  22.498   7.164
   69   HG23  DTH   8          3HG2      DTH   8  29.694  24.046   7.905
   70    HG1  DTH   8           HG1      DTH   8  27.128  22.980   5.957
   71    HA   PRO   9           HA       PRO   9  23.241  22.412   9.414
   72    HB2  PRO   9           HB2      PRO   9  22.822  19.888  10.660
   73    HB3  PRO   9           HB1      PRO   9  22.822  20.260   8.955
   74    HG2  PRO   9           HG2      PRO   9  25.046  18.957  10.497
   75    HG3  PRO   9           HG1      PRO   9  24.540  18.664   8.979
   76    HD2  PRO   9           HD2      PRO   9  26.743  20.419   9.645
   77    HD3  PRO   9           HD1      PRO   9  25.796  20.281   8.112
   78    H    GLU  10           H        GLU  10  25.687  22.230  11.935
   79    HA   GLU  10           HA       GLU  10  23.779  22.154  14.033
   80    HB2  GLU  10           HB2      GLU  10  26.686  22.961  14.282
   81    HB3  GLU  10           HB1      GLU  10  25.519  22.374  15.511
   82    HG2  GLU  10           HG2      GLU  10  25.212  20.243  14.568
   83    HG3  GLU  10           HG1      GLU  10  26.349  20.604  13.329
  Start of MODEL    4
    1    H1   ALA   1           H1       ALA   1  23.955  24.205  12.181
    2    HA   ALA   1           HA       ALA   1  24.671  26.476  13.666
    3    HB1  ALA   1           HB1      ALA   1  24.795  26.035  11.142
    4    HB2  ALA   1           HB2      ALA   1  24.187  27.658  11.573
    5    HB3  ALA   1           HB3      ALA   1  23.080  26.440  11.037
    6    H    ALA   2           H        ALA   2  21.404  25.218  13.448
    7    HA   ALA   2           HA       ALA   2  20.281  27.539  14.670
    8    HB1  ALA   2           HB1      ALA   2  18.297  25.995  15.099
    9    HB2  ALA   2           HB2      ALA   2  19.253  24.684  14.610
   10    HB3  ALA   2           HB3      ALA   2  18.882  25.992  13.424
   11    H    ARG   3           H        ARG   3  22.471  25.542  15.995
   12    HA   ARG   3           HA       ARG   3  21.583  26.338  18.647
   13    HB2  ARG   3           HB2      ARG   3  21.863  24.125  19.704
   14    HB3  ARG   3           HB1      ARG   3  20.655  24.166  18.466
   15    HG2  ARG   3           HG2      ARG   3  21.847  22.938  16.929
   16    HG3  ARG   3           HG1      ARG   3  23.380  23.135  17.858
   17    HD2  ARG   3           HD2      ARG   3  22.573  21.589  19.559
   18    HD3  ARG   3           HD1      ARG   3  20.954  21.675  18.941
   19    HE   ARG   3           HE       ARG   3  21.317  20.286  17.304
   20   HH11  ARG   3          1HH1      ARG   3  22.805  18.727  15.985
   21   HH12  ARG   3          2HH1      ARG   3  24.544  18.902  16.294
   22   HH21  ARG   3          1HH2      ARG   3  24.449  21.042  18.881
   23   HH22  ARG   3          2HH2      ARG   3  25.404  19.949  17.945
   24    H    DVA   4           H        DVA   4  24.220  25.878  16.578
   25    HA   DVA   4           HA       DVA   4  26.135  26.428  18.749
   26    HB   DVA   4           HB       DVA   4  25.876  27.676  15.953
   27   HG11  DVA   4          1HG1      DVA   4  25.742  28.910  18.799
   28   HG12  DVA   4          2HG1      DVA   4  24.553  29.056  17.430
   29   HG13  DVA   4          3HG1      DVA   4  26.106  29.862  17.400
   30   HG21  DVA   4          1HG2      DVA   4  27.926  28.846  16.272
   31   HG22  DVA   4          2HG2      DVA   4  28.221  27.186  16.452
   32   HG23  DVA   4          3HG2      DVA   4  28.137  28.155  17.934
   33    HA   DPR   5           HA       DPR   5  27.592  22.758  16.643
   34    HB2  DPR   5           HB1      DPR   5  29.189  21.777  18.504
   35    HB3  DPR   5           HB2      DPR   5  27.435  21.836  18.709
   36    HG2  DPR   5           HG1      DPR   5  29.376  23.688  20.072
   37    HG3  DPR   5           HG2      DPR   5  27.829  22.921  20.635
   38    HD2  DPR   5           HD1      DPR   5  28.007  25.527  19.415
   39    HD3  DPR   5           HD2      DPR   5  26.621  24.412  19.888
   40    H    ARG   6           H        ARG   6  29.247  22.594  15.285
   41    HA   ARG   6           HA       ARG   6  31.589  24.442  15.619
   42    HB2  ARG   6           HB2      ARG   6  31.327  21.779  14.260
   43    HB3  ARG   6           HB1      ARG   6  32.712  22.854  14.025
   44    HG2  ARG   6           HG2      ARG   6  33.351  22.715  16.276
   45    HG3  ARG   6           HG1      ARG   6  31.727  22.055  16.722
   46    HD2  ARG   6           HD2      ARG   6  33.221  20.171  16.777
   47    HD3  ARG   6           HD1      ARG   6  32.139  20.091  15.420
   48    HE   ARG   6           HE       ARG   6  33.956  20.257  13.795
   49   HH11  ARG   6          1HH1      ARG   6  35.984  19.657  13.263
   50   HH12  ARG   6          2HH1      ARG   6  37.202  20.084  14.394
   51   HH21  ARG   6          1HH2      ARG   6  35.400  20.916  17.065
   52   HH22  ARG   6          2HH2      ARG   6  36.922  20.890  16.377
   53    H    DLE   7           H        DLE   7  28.754  24.917  14.136
   54    HA   DLE   7           HA       DLE   7  29.773  25.697  11.493
   55    HB2  DLE   7           HB1      DLE   7  27.122  25.981  12.868
   56    HB3  DLE   7           HB2      DLE   7  27.511  26.599  11.232
   57    HG   DLE   7           HG       DLE   7  28.573  27.630  13.854
   58   HD11  DLE   7          1HD1      DLE   7  29.074  28.568  11.096
   59   HD12  DLE   7          2HD1      DLE   7  30.295  27.623  12.084
   60   HD13  DLE   7          3HD1      DLE   7  29.785  29.256  12.556
   61   HD21  DLE   7          1HD2      DLE   7  27.264  29.574  13.285
   62   HD22  DLE   7          2HD2      DLE   7  26.198  28.125  13.394
   63   HD23  DLE   7          3HD2      DLE   7  26.671  28.829  11.841
   64    H    DTH   8           H        DTH   8  28.528  25.114   9.640
   65    HA   DTH   8           HA       DTH   8  28.550  22.216   9.439
   66    HB   DTH   8           HB       DTH   8  27.572  24.296   7.513
   67   HG21  DTH   8          1HG2      DTH   8  30.030  24.275   7.480
   68   HG22  DTH   8          2HG2      DTH   8  29.428  23.524   6.082
   69   HG23  DTH   8          3HG2      DTH   8  29.999  22.466   7.339
   70    HG1  DTH   8           HG1      DTH   8  27.820  21.571   6.891
   71    HA   PRO   9           HA       PRO   9  24.104  21.859   9.360
   72    HB2  PRO   9           HB2      PRO   9  23.583  19.429  10.331
   73    HB3  PRO   9           HB1      PRO   9  24.542  19.662   8.790
   74    HG2  PRO   9           HG2      PRO   9  25.790  19.132  11.586
   75    HG3  PRO   9           HG1      PRO   9  25.916  18.352   9.979
   76    HD2  PRO   9           HD2      PRO   9  27.573  20.389  10.728
   77    HD3  PRO   9           HD1      PRO   9  27.065  20.300   9.021
   78    H    GLU  10           H        GLU  10  25.788  22.225  12.214
   79    HA   GLU  10           HA       GLU  10  23.578  21.829  14.068
   80    HB2  GLU  10           HB2      GLU  10  26.436  22.865  14.430
   81    HB3  GLU  10           HB1      GLU  10  25.285  22.128  15.655
   82    HG2  GLU  10           HG2      GLU  10  25.420  20.060  14.284
   83    HG3  GLU  10           HG1      GLU  10  26.794  20.704  13.556
  Start of MODEL    5
    1    H1   ALA   1           H1       ALA   1  23.747  24.315  11.694
    2    HA   ALA   1           HA       ALA   1  24.198  26.790  11.920
    3    HB1  ALA   1           HB1      ALA   1  21.480  25.960  10.940
    4    HB2  ALA   1           HB2      ALA   1  22.914  25.517  10.088
    5    HB3  ALA   1           HB3      ALA   1  22.507  27.280  10.386
    6    H    ALA   2           H        ALA   2  21.209  25.466  13.495
    7    HA   ALA   2           HA       ALA   2  20.858  28.106  14.771
    8    HB1  ALA   2           HB1      ALA   2  18.514  27.455  15.047
    9    HB2  ALA   2           HB2      ALA   2  18.834  25.920  14.406
   10    HB3  ALA   2           HB3      ALA   2  18.807  27.359  13.335
   11    H    ARG   3           H        ARG   3  22.681  25.549  15.606
   12    HA   ARG   3           HA       ARG   3  21.614  25.400  18.346
   13    HB2  ARG   3           HB2      ARG   3  22.892  23.218  16.720
   14    HB3  ARG   3           HB1      ARG   3  22.720  23.234  18.489
   15    HG2  ARG   3           HG2      ARG   3  20.204  23.624  18.133
   16    HG3  ARG   3           HG1      ARG   3  20.451  23.385  16.390
   17    HD2  ARG   3           HD2      ARG   3  21.340  21.271  18.365
   18    HD3  ARG   3           HD1      ARG   3  19.704  21.425  17.684
   19    HE   ARG   3           HE       ARG   3  22.266  20.655  16.379
   20   HH11  ARG   3          1HH1      ARG   3  22.281  19.853  14.383
   21   HH12  ARG   3          2HH1      ARG   3  20.856  19.700  13.430
   22   HH21  ARG   3          1HH2      ARG   3  18.744  21.260  15.815
   23   HH22  ARG   3          2HH2      ARG   3  18.808  20.610  14.230
   24    H    DVA   4           H        DVA   4  24.701  25.065  16.529
   25    HA   DVA   4           HA       DVA   4  26.007  25.908  19.050
   26    HB   DVA   4           HB       DVA   4  26.338  27.286  16.406
   27   HG11  DVA   4          1HG1      DVA   4  24.456  28.147  17.407
   28   HG12  DVA   4          2HG1      DVA   4  25.772  29.269  17.686
   29   HG13  DVA   4          3HG1      DVA   4  25.247  28.220  19.069
   30   HG21  DVA   4          1HG2      DVA   4  27.901  28.678  17.645
   31   HG22  DVA   4          2HG2      DVA   4  28.603  27.131  17.832
   32   HG23  DVA   4          3HG2      DVA   4  27.740  27.957  19.143
   33    HA   DPR   5           HA       DPR   5  28.397  22.483  17.210
   34    HB2  DPR   5           HB1      DPR   5  30.508  22.358  18.953
   35    HB3  DPR   5           HB2      DPR   5  28.713  21.845  19.270
   36    HG2  DPR   5           HG1      DPR   5  30.128  24.433  20.048
   37    HG3  DPR   5           HG2      DPR   5  29.173  23.255  21.109
   38    HD2  DPR   5           HD1      DPR   5  28.081  25.428  19.972
   39    HD3  DPR   5           HD2      DPR   5  27.273  23.878  20.153
   40    H    ARG   6           H        ARG   6  29.573  22.724  15.329
   41    HA   ARG   6           HA       ARG   6  31.549  24.917  15.080
   42    HB2  ARG   6           HB2      ARG   6  31.848  22.063  14.038
   43    HB3  ARG   6           HB1      ARG   6  32.893  23.398  13.663
   44    HG2  ARG   6           HG2      ARG   6  33.562  23.637  16.109
   45    HG3  ARG   6           HG1      ARG   6  32.655  22.174  16.442
   46    HD2  ARG   6           HD2      ARG   6  34.929  21.527  16.094
   47    HD3  ARG   6           HD1      ARG   6  34.025  21.036  14.662
   48    HE   ARG   6           HE       ARG   6  35.130  23.561  14.091
   49   HH11  ARG   6          1HH1      ARG   6  36.720  23.590  12.671
   50   HH12  ARG   6          2HH1      ARG   6  38.021  22.368  12.560
   51   HH21  ARG   6          1HH2      ARG   6  36.191  20.077  14.389
   52   HH22  ARG   6          2HH2      ARG   6  37.575  20.456  13.379
   53    H    DLE   7           H        DLE   7  28.651  24.892  14.533
   54    HA   DLE   7           HA       DLE   7  29.056  25.989  11.864
   55    HB2  DLE   7           HB1      DLE   7  26.741  25.742  13.893
   56    HB3  DLE   7           HB2      DLE   7  26.494  26.265  12.218
   57    HG   DLE   7           HG       DLE   7  28.091  27.557  14.474
   58   HD11  DLE   7          1HD1      DLE   7  28.701  29.391  12.916
   59   HD12  DLE   7          2HD1      DLE   7  28.136  28.304  11.588
   60   HD13  DLE   7          3HD1      DLE   7  29.531  27.893  12.660
   61   HD21  DLE   7          1HD2      DLE   7  26.452  29.498  14.202
   62   HD22  DLE   7          2HD2      DLE   7  25.625  28.003  14.389
   63   HD23  DLE   7          3HD2      DLE   7  25.771  28.612  12.796
   64    H    DTH   8           H        DTH   8  28.452  24.919   9.901
   65    HA   DTH   8           HA       DTH   8  28.473  22.066  10.068
   66    HB   DTH   8           HB       DTH   8  27.483  23.926   7.818
   67   HG21  DTH   8          1HG2      DTH   8  29.557  23.804   6.802
   68   HG22  DTH   8          2HG2      DTH   8  30.029  22.526   7.950
   69   HG23  DTH   8          3HG2      DTH   8  29.913  24.308   8.405
   70    HG1  DTH   8           HG1      DTH   8  27.918  22.333   6.530
   71    HA   PRO   9           HA       PRO   9  23.923  21.648   9.523
   72    HB2  PRO   9           HB2      PRO   9  23.372  19.513  11.122
   73    HB3  PRO   9           HB1      PRO   9  23.993  19.290   9.445
   74    HG2  PRO   9           HG2      PRO   9  25.485  19.342  12.026
   75    HG3  PRO   9           HG1      PRO   9  25.830  18.217  10.668
   76    HD2  PRO   9           HD2      PRO   9  27.416  20.414  10.994
   77    HD3  PRO   9           HD1      PRO   9  26.879  19.785   9.365
   78    H    GLU  10           H        GLU  10  25.716  22.299  12.396
   79    HA   GLU  10           HA       GLU  10  23.392  22.488  14.158
   80    HB2  GLU  10           HB2      GLU  10  26.353  23.037  14.587
   81    HB3  GLU  10           HB1      GLU  10  25.058  23.045  15.826
   82    HG2  GLU  10           HG2      GLU  10  26.148  20.761  14.328
   83    HG3  GLU  10           HG1      GLU  10  26.430  21.162  16.036
  Start of MODEL    6
    1    H1   ALA   1           H1       ALA   1  24.544  24.568  12.068
    2    HA   ALA   1           HA       ALA   1  24.647  26.738  14.001
    3    HB1  ALA   1           HB1      ALA   1  25.521  26.674  11.738
    4    HB2  ALA   1           HB2      ALA   1  24.483  28.132  12.073
    5    HB3  ALA   1           HB3      ALA   1  23.880  26.866  11.022
    6    H    ALA   2           H        ALA   2  22.201  24.856  13.359
    7    HA   ALA   2           HA       ALA   2  19.934  26.550  13.987
    8    HB1  ALA   2           HB1      ALA   2  19.488  24.329  13.396
    9    HB2  ALA   2           HB2      ALA   2  18.917  24.528  15.007
   10    HB3  ALA   2           HB3      ALA   2  20.359  23.565  14.682
   11    H    ARG   3           H        ARG   3  22.617  25.254  16.006
   12    HA   ARG   3           HA       ARG   3  21.582  26.272  18.558
   13    HB2  ARG   3           HB2      ARG   3  21.992  23.862  19.386
   14    HB3  ARG   3           HB1      ARG   3  20.687  24.035  18.215
   15    HG2  ARG   3           HG2      ARG   3  22.074  22.969  16.564
   16    HG3  ARG   3           HG1      ARG   3  23.469  23.137  17.581
   17    HD2  ARG   3           HD2      ARG   3  22.573  21.752  19.396
   18    HD3  ARG   3           HD1      ARG   3  21.174  21.413  18.479
   19    HE   ARG   3           HE       ARG   3  22.441  20.100  16.889
   20   HH11  ARG   3          1HH1      ARG   3  24.038  18.644  16.478
   21   HH12  ARG   3          2HH1      ARG   3  25.649  18.922  17.093
   22   HH21  ARG   3          1HH2      ARG   3  24.609  21.197  19.549
   23   HH22  ARG   3          2HH2      ARG   3  25.792  20.142  18.957
   24    H    DVA   4           H        DVA   4  24.343  25.912  16.611
   25    HA   DVA   4           HA       DVA   4  25.948  26.843  18.947
   26    HB   DVA   4           HB       DVA   4  25.637  28.175  16.301
   27   HG11  DVA   4          1HG1      DVA   4  25.043  29.126  18.971
   28   HG12  DVA   4          2HG1      DVA   4  23.798  28.621  17.827
   29   HG13  DVA   4          3HG1      DVA   4  24.876  29.956  17.364
   30   HG21  DVA   4          1HG2      DVA   4  27.403  29.052  18.581
   31   HG22  DVA   4          2HG2      DVA   4  27.085  29.784  16.999
   32   HG23  DVA   4          3HG2      DVA   4  27.999  28.245  17.039
   33    HA   DPR   5           HA       DPR   5  27.464  23.465  16.384
   34    HB2  DPR   5           HB1      DPR   5  29.127  22.207  18.417
   35    HB3  DPR   5           HB2      DPR   5  27.426  21.784  17.973
   36    HG2  DPR   5           HG1      DPR   5  28.409  22.951  20.401
   37    HG3  DPR   5           HG2      DPR   5  26.777  22.695  20.004
   38    HD2  DPR   5           HD1      DPR   5  28.307  25.166  19.815
   39    HD3  DPR   5           HD2      DPR   5  26.488  25.020  19.758
   40    H    ARG   6           H        ARG   6  29.698  22.316  15.877
   41    HA   ARG   6           HA       ARG   6  31.908  24.146  15.691
   42    HB2  ARG   6           HB2      ARG   6  32.133  21.777  15.938
   43    HB3  ARG   6           HB1      ARG   6  31.391  21.436  14.414
   44    HG2  ARG   6           HG2      ARG   6  33.212  22.897  13.247
   45    HG3  ARG   6           HG1      ARG   6  33.852  23.071  14.865
   46    HD2  ARG   6           HD2      ARG   6  35.061  21.369  13.618
   47    HD3  ARG   6           HD1      ARG   6  34.179  20.542  14.934
   48    HE   ARG   6           HE       ARG   6  32.485  19.952  13.231
   49   HH11  ARG   6          1HH1      ARG   6  32.651  18.123  11.696
   50   HH12  ARG   6          2HH1      ARG   6  34.165  17.753  10.936
   51   HH21  ARG   6          1HH2      ARG   6  36.009  20.030  12.712
   52   HH22  ARG   6          2HH2      ARG   6  35.908  18.883  11.382
   53    H    DLE   7           H        DLE   7  29.013  23.624  14.052
   54    HA   DLE   7           HA       DLE   7  29.866  25.223  11.784
   55    HB2  DLE   7           HB1      DLE   7  27.231  25.529  13.335
   56    HB3  DLE   7           HB2      DLE   7  27.626  26.388  11.894
   57    HG   DLE   7           HG       DLE   7  28.930  26.658  14.544
   58   HD11  DLE   7          1HD1      DLE   7  30.168  28.643  13.564
   59   HD12  DLE   7          2HD1      DLE   7  29.560  28.162  11.970
   60   HD13  DLE   7          3HD1      DLE   7  30.707  27.128  12.824
   61   HD21  DLE   7          1HD2      DLE   7  26.681  27.754  14.185
   62   HD22  DLE   7          2HD2      DLE   7  27.377  28.751  12.895
   63   HD23  DLE   7          3HD2      DLE   7  27.980  28.898  14.552
   64    H    DTH   8           H        DTH   8  28.136  25.219   9.850
   65    HA   DTH   8           HA       DTH   8  28.007  22.474   9.222
   66    HB   DTH   8           HB       DTH   8  27.185  24.841   7.582
   67   HG21  DTH   8          1HG2      DTH   8  29.636  24.508   8.030
   68   HG22  DTH   8          2HG2      DTH   8  29.324  24.196   6.288
   69   HG23  DTH   8          3HG2      DTH   8  29.530  22.867   7.434
   70    HG1  DTH   8           HG1      DTH   8  27.130  23.419   5.991
   71    HA   PRO   9           HA       PRO   9  23.460  21.837   9.503
   72    HB2  PRO   9           HB2      PRO   9  24.352  19.783  11.353
   73    HB3  PRO   9           HB1      PRO   9  23.035  19.737  10.146
   74    HG2  PRO   9           HG2      PRO   9  25.305  18.520   9.369
   75    HG3  PRO   9           HG1      PRO   9  24.668  19.706   8.274
   76    HD2  PRO   9           HD2      PRO   9  26.904  20.415  10.250
   77    HD3  PRO   9           HD1      PRO   9  26.793  20.730   8.523
   78    H    GLU  10           H        GLU  10  25.923  22.048  12.148
   79    HA   GLU  10           HA       GLU  10  23.942  22.064  14.184
   80    HB2  GLU  10           HB2      GLU  10  26.865  22.952  14.568
   81    HB3  GLU  10           HB1      GLU  10  25.714  22.406  15.712
   82    HG2  GLU  10           HG2      GLU  10  25.658  20.104  14.531
   83    HG3  GLU  10           HG1      GLU  10  26.912  20.709  13.529
  Start of MODEL    7
    1    H1   ALA   1           H1       ALA   1  23.541  24.484  11.692
    2    HA   ALA   1           HA       ALA   1  24.499  26.531  13.231
    3    HB1  ALA   1           HB1      ALA   1  22.645  26.773  10.898
    4    HB2  ALA   1           HB2      ALA   1  24.315  26.559  10.871
    5    HB3  ALA   1           HB3      ALA   1  23.738  28.049  11.640
    6    H    ALA   2           H        ALA   2  21.232  25.335  13.457
    7    HA   ALA   2           HA       ALA   2  20.272  27.533  14.749
    8    HB1  ALA   2           HB1      ALA   2  19.338  24.614  15.129
    9    HB2  ALA   2           HB2      ALA   2  18.906  25.750  13.824
   10    HB3  ALA   2           HB3      ALA   2  18.408  26.069  15.511
   11    H    ARG   3           H        ARG   3  22.319  25.143  16.182
   12    HA   ARG   3           HA       ARG   3  21.521  26.115  18.851
   13    HB2  ARG   3           HB2      ARG   3  21.420  23.907  19.659
   14    HB3  ARG   3           HB1      ARG   3  20.413  24.147  18.182
   15    HG2  ARG   3           HG2      ARG   3  22.203  22.998  16.860
   16    HG3  ARG   3           HG1      ARG   3  23.241  23.025  18.203
   17    HD2  ARG   3           HD2      ARG   3  21.533  21.599  19.391
   18    HD3  ARG   3           HD1      ARG   3  20.545  21.512  17.896
   19    HE   ARG   3           HE       ARG   3  23.086  20.688  17.081
   20   HH11  ARG   3          1HH1      ARG   3  24.193  18.930  17.171
   21   HH12  ARG   3          2HH1      ARG   3  23.746  17.564  18.141
   22   HH21  ARG   3          1HH2      ARG   3  20.984  19.323  19.552
   23   HH22  ARG   3          2HH2      ARG   3  21.891  17.816  19.632
   24    H    DVA   4           H        DVA   4  24.235  25.838  16.664
   25    HA   DVA   4           HA       DVA   4  26.012  26.510  18.935
   26    HB   DVA   4           HB       DVA   4  25.782  27.704  16.072
   27   HG11  DVA   4          1HG1      DVA   4  24.043  28.639  17.498
   28   HG12  DVA   4          2HG1      DVA   4  25.421  29.723  17.161
   29   HG13  DVA   4          3HG1      DVA   4  25.141  28.883  18.753
   30   HG21  DVA   4          1HG2      DVA   4  27.892  28.059  18.236
   31   HG22  DVA   4          2HG2      DVA   4  27.538  29.134  16.786
   32   HG23  DVA   4          3HG2      DVA   4  28.094  27.616  16.480
   33    HA   DPR   5           HA       DPR   5  28.077  23.080  17.360
   34    HB2  DPR   5           HB1      DPR   5  30.000  23.672  19.583
   35    HB3  DPR   5           HB2      DPR   5  29.461  22.076  19.026
   36    HG2  DPR   5           HG1      DPR   5  28.265  23.206  21.183
   37    HG3  DPR   5           HG2      DPR   5  27.275  22.423  19.871
   38    HD2  DPR   5           HD1      DPR   5  27.855  25.381  20.308
   39    HD3  DPR   5           HD2      DPR   5  26.279  24.536  19.899
   40    H    ARG   6           H        ARG   6  29.824  22.728  16.184
   41    HA   ARG   6           HA       ARG   6  31.978  24.518  15.718
   42    HB2  ARG   6           HB2      ARG   6  32.451  22.159  15.803
   43    HB3  ARG   6           HB1      ARG   6  31.327  21.821  14.486
   44    HG2  ARG   6           HG2      ARG   6  32.750  23.072  12.876
   45    HG3  ARG   6           HG1      ARG   6  33.753  23.570  14.274
   46    HD2  ARG   6           HD2      ARG   6  34.809  21.754  13.198
   47    HD3  ARG   6           HD1      ARG   6  34.160  21.201  14.799
   48    HE   ARG   6           HE       ARG   6  32.328  20.634  12.587
   49   HH11  ARG   6          1HH1      ARG   6  31.681  18.487  12.387
   50   HH12  ARG   6          2HH1      ARG   6  32.906  17.273  12.428
   51   HH21  ARG   6          1HH2      ARG   6  35.380  19.377  13.804
   52   HH22  ARG   6          2HH2      ARG   6  34.806  17.730  13.567
   53    H    DLE   7           H        DLE   7  29.113  23.485  13.883
   54    HA   DLE   7           HA       DLE   7  29.952  25.226  11.713
   55    HB2  DLE   7           HB1      DLE   7  27.238  25.306  12.994
   56    HB3  DLE   7           HB2      DLE   7  27.546  26.136  11.414
   57    HG   DLE   7           HG       DLE   7  29.021  26.834  13.848
   58   HD11  DLE   7          1HD1      DLE   7  28.384  28.218  11.244
   59   HD12  DLE   7          2HD1      DLE   7  29.990  27.740  11.898
   60   HD13  DLE   7          3HD1      DLE   7  29.123  29.089  12.655
   61   HD21  DLE   7          1HD2      DLE   7  27.257  28.648  14.128
   62   HD22  DLE   7          2HD2      DLE   7  26.662  26.999  14.316
   63   HD23  DLE   7          3HD2      DLE   7  26.237  27.906  12.890
   64    H    DTH   8           H        DTH   8  28.671  24.763   9.656
   65    HA   DTH   8           HA       DTH   8  28.286  21.908   9.308
   66    HB   DTH   8           HB       DTH   8  27.618  24.262   7.365
   67   HG21  DTH   8          1HG2      DTH   8  29.819  22.273   7.256
   68   HG22  DTH   8          2HG2      DTH   8  29.931  24.114   7.376
   69   HG23  DTH   8          3HG2      DTH   8  29.384  23.323   5.914
   70    HG1  DTH   8           HG1      DTH   8  27.086  22.792   6.059
   71    HA   PRO   9           HA       PRO   9  23.673  21.818   8.891
   72    HB2  PRO   9           HB2      PRO   9  24.173  19.457  10.538
   73    HB3  PRO   9           HB1      PRO   9  23.140  19.712   9.082
   74    HG2  PRO   9           HG2      PRO   9  25.379  18.413   8.813
   75    HG3  PRO   9           HG1      PRO   9  24.923  19.684   7.570
   76    HD2  PRO   9           HD2      PRO   9  26.927  20.001   9.854
   77    HD3  PRO   9           HD1      PRO   9  27.091  20.419   8.236
   78    H    GLU  10           H        GLU  10  25.610  22.632  11.661
   79    HA   GLU  10           HA       GLU  10  23.523  21.935  13.550
   80    HB2  GLU  10           HB2      GLU  10  26.427  22.922  13.771
   81    HB3  GLU  10           HB1      GLU  10  25.417  22.716  15.165
   82    HG2  GLU  10           HG2      GLU  10  25.682  20.405  13.174
   83    HG3  GLU  10           HG1      GLU  10  26.826  20.648  14.487
  Start of MODEL    8
    1    H1   ALA   1           H1       ALA   1  23.811  24.343  12.032
    2    HA   ALA   1           HA       ALA   1  24.525  26.657  13.384
    3    HB1  ALA   1           HB1      ALA   1  22.667  26.742  11.094
    4    HB2  ALA   1           HB2      ALA   1  24.426  26.274  10.924
    5    HB3  ALA   1           HB3      ALA   1  24.012  27.855  11.394
    6    H    ALA   2           H        ALA   2  21.251  25.304  13.268
    7    HA   ALA   2           HA       ALA   2  20.100  27.546  14.515
    8    HB1  ALA   2           HB1      ALA   2  18.590  25.588  13.621
    9    HB2  ALA   2           HB2      ALA   2  18.246  26.114  15.188
   10    HB3  ALA   2           HB3      ALA   2  19.146  24.728  15.129
   11    H    ARG   3           H        ARG   3  22.294  25.354  16.011
   12    HA   ARG   3           HA       ARG   3  21.389  26.040  18.776
   13    HB2  ARG   3           HB2      ARG   3  21.599  23.784  19.391
   14    HB3  ARG   3           HB1      ARG   3  20.448  23.939  18.075
   15    HG2  ARG   3           HG2      ARG   3  21.810  23.160  16.439
   16    HG3  ARG   3           HG1      ARG   3  23.334  23.132  17.497
   17    HD2  ARG   3           HD2      ARG   3  22.028  21.498  18.861
   18    HD3  ARG   3           HD1      ARG   3  20.670  21.683  17.725
   19    HE   ARG   3           HE       ARG   3  23.283  20.531  16.845
   20   HH11  ARG   3          1HH1      ARG   3  23.080  19.050  15.143
   21   HH12  ARG   3          2HH1      ARG   3  21.568  18.854  14.366
   22   HH21  ARG   3          1HH2      ARG   3  19.556  20.575  16.548
   23   HH22  ARG   3          2HH2      ARG   3  19.679  19.649  15.131
   24    H    DVA   4           H        DVA   4  24.152  25.862  16.627
   25    HA   DVA   4           HA       DVA   4  25.986  26.361  18.892
   26    HB   DVA   4           HB       DVA   4  25.555  27.644  16.250
   27   HG11  DVA   4          1HG1      DVA   4  24.221  28.598  18.122
   28   HG12  DVA   4          2HG1      DVA   4  25.482  29.593  17.361
   29   HG13  DVA   4          3HG1      DVA   4  25.733  28.824  19.013
   30   HG21  DVA   4          1HG2      DVA   4  27.860  27.765  18.265
   31   HG22  DVA   4          2HG2      DVA   4  27.642  29.061  17.008
   32   HG23  DVA   4          3HG2      DVA   4  27.974  27.462  16.480
   33    HA   DPR   5           HA       DPR   5  28.031  23.011  16.424
   34    HB2  DPR   5           HB1      DPR   5  29.855  22.136  18.537
   35    HB3  DPR   5           HB2      DPR   5  28.435  21.462  17.893
   36    HG2  DPR   5           HG1      DPR   5  29.049  23.147  20.257
   37    HG3  DPR   5           HG2      DPR   5  27.802  21.849  20.105
   38    HD2  DPR   5           HD1      DPR   5  27.507  24.690  19.915
   39    HD3  DPR   5           HD2      DPR   5  26.254  23.430  19.368
   40    H    ARG   6           H        ARG   6  30.330  22.550  16.075
   41    HA   ARG   6           HA       ARG   6  31.894  24.946  15.751
   42    HB2  ARG   6           HB2      ARG   6  32.919  22.615  15.996
   43    HB3  ARG   6           HB1      ARG   6  32.085  22.210  14.464
   44    HG2  ARG   6           HG2      ARG   6  33.676  23.293  13.278
   45    HG3  ARG   6           HG1      ARG   6  33.973  24.437  14.646
   46    HD2  ARG   6           HD2      ARG   6  35.929  23.232  14.098
   47    HD3  ARG   6           HD1      ARG   6  35.432  22.408  15.571
   48    HE   ARG   6           HE       ARG   6  34.512  21.110  13.063
   49   HH11  ARG   6          1HH1      ARG   6  34.719  18.973  13.320
   50   HH12  ARG   6          2HH1      ARG   6  35.931  18.126  14.245
   51   HH21  ARG   6          1HH2      ARG   6  37.062  21.107  15.729
   52   HH22  ARG   6          2HH2      ARG   6  37.267  19.399  15.497
   53    H    DLE   7           H        DLE   7  29.350  23.520  13.927
   54    HA   DLE   7           HA       DLE   7  30.007  25.354  11.669
   55    HB2  DLE   7           HB1      DLE   7  27.409  25.302  13.161
   56    HB3  DLE   7           HB2      DLE   7  27.522  25.934  11.564
   57    HG   DLE   7           HG       DLE   7  28.988  27.041  14.086
   58   HD11  DLE   7          1HD1      DLE   7  28.762  28.287  11.279
   59   HD12  DLE   7          2HD1      DLE   7  30.248  27.481  11.926
   60   HD13  DLE   7          3HD1      DLE   7  29.621  28.967  12.567
   61   HD21  DLE   7          1HD2      DLE   7  27.352  28.747  13.801
   62   HD22  DLE   7          2HD2      DLE   7  26.671  27.165  14.311
   63   HD23  DLE   7          3HD2      DLE   7  26.447  27.774  12.667
   64    H    DTH   8           H        DTH   8  28.793  24.726   9.722
   65    HA   DTH   8           HA       DTH   8  28.145  21.883   9.520
   66    HB   DTH   8           HB       DTH   8  27.558  24.082   7.457
   67   HG21  DTH   8          1HG2      DTH   8  30.028  23.516   7.788
   68   HG22  DTH   8          2HG2      DTH   8  29.318  23.344   6.171
   69   HG23  DTH   8          3HG2      DTH   8  29.486  21.854   7.162
   70    HG1  DTH   8           HG1      DTH   8  26.888  22.485   6.149
   71    HA   PRO   9           HA       PRO   9  23.691  22.260   9.340
   72    HB2  PRO   9           HB2      PRO   9  23.578  19.568  10.544
   73    HB3  PRO   9           HB1      PRO   9  22.810  20.327   9.115
   74    HG2  PRO   9           HG2      PRO   9  25.007  18.499   9.184
   75    HG3  PRO   9           HG1      PRO   9  24.830  19.787   7.859
   76    HD2  PRO   9           HD2      PRO   9  26.496  19.795  10.307
   77    HD3  PRO   9           HD1      PRO   9  26.873  20.426   8.741
   78    H    GLU  10           H        GLU  10  25.704  22.255  12.206
   79    HA   GLU  10           HA       GLU  10  23.740  21.866  14.121
   80    HB2  GLU  10           HB2      GLU  10  26.404  22.995  14.158
   81    HB3  GLU  10           HB1      GLU  10  25.523  22.848  15.627
   82    HG2  GLU  10           HG2      GLU  10  26.457  20.632  13.712
   83    HG3  GLU  10           HG1      GLU  10  27.221  20.973  15.204
  Start of MODEL    9
    1    H1   ALA   1           H1       ALA   1  24.204  24.657  12.129
    2    HA   ALA   1           HA       ALA   1  24.682  26.878  13.821
    3    HB1  ALA   1           HB1      ALA   1  23.243  26.654  11.123
    4    HB2  ALA   1           HB2      ALA   1  24.951  26.850  11.264
    5    HB3  ALA   1           HB3      ALA   1  23.822  28.156  11.826
    6    H    ALA   2           H        ALA   2  21.631  25.029  13.171
    7    HA   ALA   2           HA       ALA   2  19.778  26.862  14.322
    8    HB1  ALA   2           HB1      ALA   2  19.126  24.925  13.214
    9    HB2  ALA   2           HB2      ALA   2  18.576  24.982  14.763
   10    HB3  ALA   2           HB3      ALA   2  20.041  23.893  14.472
   11    H    ARG   3           H        ARG   3  22.467  25.284  15.941
   12    HA   ARG   3           HA       ARG   3  21.221  25.870  18.580
   13    HB2  ARG   3           HB2      ARG   3  21.677  23.753  19.436
   14    HB3  ARG   3           HB1      ARG   3  20.417  23.849  18.247
   15    HG2  ARG   3           HG2      ARG   3  22.060  23.025  16.436
   16    HG3  ARG   3           HG1      ARG   3  23.216  22.833  17.649
   17    HD2  ARG   3           HD2      ARG   3  22.157  21.119  18.750
   18    HD3  ARG   3           HD1      ARG   3  20.598  21.307  17.905
   19    HE   ARG   3           HE       ARG   3  22.969  19.890  16.992
   20   HH11  ARG   3          1HH1      ARG   3  23.101  19.155  14.867
   21   HH12  ARG   3          2HH1      ARG   3  21.626  19.225  13.871
   22   HH21  ARG   3          1HH2      ARG   3  19.981  21.457  15.946
   23   HH22  ARG   3          2HH2      ARG   3  20.006  20.741  14.365
   24    H    DVA   4           H        DVA   4  24.158  25.440  16.695
   25    HA   DVA   4           HA       DVA   4  25.845  26.539  18.847
   26    HB   DVA   4           HB       DVA   4  25.524  27.700  16.097
   27   HG11  DVA   4          1HG1      DVA   4  25.037  29.073  18.700
   28   HG12  DVA   4          2HG1      DVA   4  23.718  28.260  17.661
   29   HG13  DVA   4          3HG1      DVA   4  24.702  29.619  17.096
   30   HG21  DVA   4          1HG2      DVA   4  27.354  28.403  18.287
   31   HG22  DVA   4          2HG2      DVA   4  27.061  29.392  16.808
   32   HG23  DVA   4          3HG2      DVA   4  27.865  27.810  16.659
   33    HA   DPR   5           HA       DPR   5  28.083  23.087  17.330
   34    HB2  DPR   5           HB1      DPR   5  30.090  23.972  19.336
   35    HB3  DPR   5           HB2      DPR   5  29.715  22.341  18.839
   36    HG2  DPR   5           HG1      DPR   5  28.471  23.317  21.033
   37    HG3  DPR   5           HG2      DPR   5  27.389  22.524  19.876
   38    HD2  DPR   5           HD1      DPR   5  27.671  25.412  20.274
   39    HD3  DPR   5           HD2      DPR   5  26.269  24.380  19.716
   40    H    ARG   6           H        ARG   6  30.081  22.631  16.275
   41    HA   ARG   6           HA       ARG   6  32.009  24.617  15.565
   42    HB2  ARG   6           HB2      ARG   6  32.355  22.270  16.236
   43    HB3  ARG   6           HB1      ARG   6  31.768  21.632  14.681
   44    HG2  ARG   6           HG2      ARG   6  33.766  22.619  13.615
   45    HG3  ARG   6           HG1      ARG   6  34.241  23.398  15.147
   46    HD2  ARG   6           HD2      ARG   6  35.443  21.373  14.921
   47    HD3  ARG   6           HD1      ARG   6  34.325  21.220  16.180
   48    HE   ARG   6           HE       ARG   6  33.589  20.169  13.482
   49   HH11  ARG   6          1HH1      ARG   6  33.474  18.036  12.941
   50   HH12  ARG   6          2HH1      ARG   6  34.049  16.882  14.174
   51   HH21  ARG   6          1HH2      ARG   6  34.865  18.954  16.661
   52   HH22  ARG   6          2HH2      ARG   6  34.702  17.375  15.993
   53    H    DLE   7           H        DLE   7  29.205  23.574  13.997
   54    HA   DLE   7           HA       DLE   7  30.049  24.974  11.568
   55    HB2  DLE   7           HB1      DLE   7  27.404  25.321  12.957
   56    HB3  DLE   7           HB2      DLE   7  27.984  26.057  11.431
   57    HG   DLE   7           HG       DLE   7  29.361  26.432  14.089
   58   HD11  DLE   7          1HD1      DLE   7  29.362  28.180  11.499
   59   HD12  DLE   7          2HD1      DLE   7  30.732  27.260  12.133
   60   HD13  DLE   7          3HD1      DLE   7  30.168  28.601  13.056
   61   HD21  DLE   7          1HD2      DLE   7  28.327  28.552  14.351
   62   HD22  DLE   7          2HD2      DLE   7  27.021  27.532  14.168
   63   HD23  DLE   7          3HD2      DLE   7  27.522  28.526  12.774
   64    H    DTH   8           H        DTH   8  28.817  24.595   9.732
   65    HA   DTH   8           HA       DTH   8  28.015  21.867   9.262
   66    HB   DTH   8           HB       DTH   8  27.622  24.338   7.440
   67   HG21  DTH   8          1HG2      DTH   8  29.981  23.527   7.610
   68   HG22  DTH   8          2HG2      DTH   8  29.210  23.180   6.024
   69   HG23  DTH   8          3HG2      DTH   8  29.370  21.878   7.253
   70    HG1  DTH   8           HG1      DTH   8  26.103  23.124   6.956
   71    HA   PRO   9           HA       PRO   9  23.418  22.711   9.396
   72    HB2  PRO   9           HB2      PRO   9  23.442  20.126  10.756
   73    HB3  PRO   9           HB1      PRO   9  22.387  20.642   9.365
   74    HG2  PRO   9           HG2      PRO   9  24.465  18.842   9.271
   75    HG3  PRO   9           HG1      PRO   9  24.102  19.988   7.838
   76    HD2  PRO   9           HD2      PRO   9  26.326  20.150   9.884
   77    HD3  PRO   9           HD1      PRO   9  26.277  20.652   8.271
   78    H    GLU  10           H        GLU  10  25.620  22.218  11.941
   79    HA   GLU  10           HA       GLU  10  24.009  22.062  14.304
   80    HB2  GLU  10           HB2      GLU  10  26.703  23.290  13.878
   81    HB3  GLU  10           HB1      GLU  10  25.927  22.948  15.423
   82    HG2  GLU  10           HG2      GLU  10  26.780  20.777  13.366
   83    HG3  GLU  10           HG1      GLU  10  27.613  21.208  14.779
  Start of MODEL   10
    1    H1   ALA   1           H1       ALA   1  23.874  24.586  12.035
    2    HA   ALA   1           HA       ALA   1  24.561  26.826  13.576
    3    HB1  ALA   1           HB1      ALA   1  22.507  27.216  11.487
    4    HB2  ALA   1           HB2      ALA   1  24.018  26.471  10.968
    5    HB3  ALA   1           HB3      ALA   1  24.050  28.042  11.764
    6    H    ALA   2           H        ALA   2  21.516  25.252  13.819
    7    HA   ALA   2           HA       ALA   2  20.065  27.604  14.885
    8    HB1  ALA   2           HB1      ALA   2  19.377  24.695  14.352
    9    HB2  ALA   2           HB2      ALA   2  19.021  26.158  13.323
   10    HB3  ALA   2           HB3      ALA   2  18.271  25.894  14.928
   11    H    ARG   3           H        ARG   3  22.017  25.140  16.203
   12    HA   ARG   3           HA       ARG   3  21.456  26.130  18.963
   13    HB2  ARG   3           HB2      ARG   3  21.899  23.908  19.747
   14    HB3  ARG   3           HB1      ARG   3  20.570  23.877  18.619
   15    HG2  ARG   3           HG2      ARG   3  21.701  22.993  16.893
   16    HG3  ARG   3           HG1      ARG   3  23.256  22.980  17.580
   17    HD2  ARG   3           HD2      ARG   3  22.515  21.443  19.318
   18    HD3  ARG   3           HD1      ARG   3  20.851  21.372  18.585
   19    HE   ARG   3           HE       ARG   3  23.295  20.625  17.098
   20   HH11  ARG   3          1HH1      ARG   3  23.225  18.868  15.749
   21   HH12  ARG   3          2HH1      ARG   3  22.230  17.538  16.205
   22   HH21  ARG   3          1HH2      ARG   3  20.350  19.147  18.666
   23   HH22  ARG   3          2HH2      ARG   3  20.414  17.804  17.586
   24    H    DVA   4           H        DVA   4  23.790  25.668  16.554
   25    HA   DVA   4           HA       DVA   4  25.970  26.306  18.579
   26    HB   DVA   4           HB       DVA   4  25.474  27.593  15.871
   27   HG11  DVA   4          1HG1      DVA   4  25.018  28.909  18.548
   28   HG12  DVA   4          2HG1      DVA   4  23.823  28.367  17.340
   29   HG13  DVA   4          3HG1      DVA   4  25.010  29.597  16.905
   30   HG21  DVA   4          1HG2      DVA   4  27.928  27.497  16.399
   31   HG22  DVA   4          2HG2      DVA   4  27.442  28.177  17.997
   32   HG23  DVA   4          3HG2      DVA   4  27.243  29.089  16.506
   33    HA   DPR   5           HA       DPR   5  27.926  22.782  16.468
   34    HB2  DPR   5           HB1      DPR   5  29.564  23.117  18.984
   35    HB3  DPR   5           HB2      DPR   5  28.897  21.622  18.193
   36    HG2  DPR   5           HG1      DPR   5  27.692  22.596  20.410
   37    HG3  DPR   5           HG2      DPR   5  26.781  21.933  19.072
   38    HD2  DPR   5           HD1      DPR   5  27.392  24.864  19.678
   39    HD3  DPR   5           HD2      DPR   5  25.899  24.196  19.224
   40    H    ARG   6           H        ARG   6  29.944  22.587  15.625
   41    HA   ARG   6           HA       ARG   6  31.981  24.792  15.800
   42    HB2  ARG   6           HB2      ARG   6  32.049  22.183  14.235
   43    HB3  ARG   6           HB1      ARG   6  33.269  23.372  14.300
   44    HG2  ARG   6           HG2      ARG   6  33.472  23.005  16.778
   45    HG3  ARG   6           HG1      ARG   6  32.221  21.764  16.657
   46    HD2  ARG   6           HD2      ARG   6  35.005  21.723  15.445
   47    HD3  ARG   6           HD1      ARG   6  34.367  20.621  16.621
   48    HE   ARG   6           HE       ARG   6  34.273  20.565  13.762
   49   HH11  ARG   6          1HH1      ARG   6  33.665  18.472  12.964
   50   HH12  ARG   6          2HH1      ARG   6  32.649  17.353  13.842
   51   HH21  ARG   6          1HH2      ARG   6  32.535  19.307  16.744
   52   HH22  ARG   6          2HH2      ARG   6  32.066  17.893  15.787
   53    H    DLE   7           H        DLE   7  29.413  23.977  13.992
   54    HA   DLE   7           HA       DLE   7  30.334  25.165  11.394
   55    HB2  DLE   7           HB1      DLE   7  27.696  25.740  12.852
   56    HB3  DLE   7           HB2      DLE   7  28.051  26.257  11.257
   57    HG   DLE   7           HG       DLE   7  29.461  26.998  13.772
   58   HD11  DLE   7          1HD1      DLE   7  30.950  27.473  11.726
   59   HD12  DLE   7          2HD1      DLE   7  30.416  28.974  12.393
   60   HD13  DLE   7          3HD1      DLE   7  29.567  28.175  10.941
   61   HD21  DLE   7          1HD2      DLE   7  27.328  27.756  13.860
   62   HD22  DLE   7          2HD2      DLE   7  27.606  28.645  12.247
   63   HD23  DLE   7          3HD2      DLE   7  28.428  29.076  13.808
   64    H    DTH   8           H        DTH   8  28.541  24.886   9.615
   65    HA   DTH   8           HA       DTH   8  28.372  22.003   9.470
   66    HB   DTH   8           HB       DTH   8  27.649  24.068   7.461
   67   HG21  DTH   8          1HG2      DTH   8  29.378  22.959   6.120
   68   HG22  DTH   8          2HG2      DTH   8  29.903  22.013   7.550
   69   HG23  DTH   8          3HG2      DTH   8  30.112  23.754   7.560
   70    HG1  DTH   8           HG1      DTH   8  27.275  22.449   6.051
   71    HA   PRO   9           HA       PRO   9  23.855  21.569   9.161
   72    HB2  PRO   9           HB2      PRO   9  24.533  19.657  11.417
   73    HB3  PRO   9           HB1      PRO   9  23.414  19.406  10.081
   74    HG2  PRO   9           HG2      PRO   9  25.842  18.314  10.032
   75    HG3  PRO   9           HG1      PRO   9  25.157  19.007   8.572
   76    HD2  PRO   9           HD2      PRO   9  27.141  20.188  10.630
   77    HD3  PRO   9           HD1      PRO   9  27.196  20.388   8.867
   78    H    GLU  10           H        GLU  10  25.695  22.153  12.192
   79    HA   GLU  10           HA       GLU  10  23.651  22.035  14.135
   80    HB2  GLU  10           HB2      GLU  10  26.485  23.141  13.931
   81    HB3  GLU  10           HB1      GLU  10  25.556  22.816  15.452
   82    HG2  GLU  10           HG2      GLU  10  26.362  20.786  13.307
   83    HG3  GLU  10           HG1      GLU  10  27.075  21.003  14.900
  Start of MODEL   11
    1    H1   ALA   1           H1       ALA   1  23.730  24.442  12.003
    2    HA   ALA   1           HA       ALA   1  24.373  27.001  12.993
    3    HB1  ALA   1           HB1      ALA   1  22.318  26.194  11.003
    4    HB2  ALA   1           HB2      ALA   1  24.014  26.346  10.667
    5    HB3  ALA   1           HB3      ALA   1  23.090  27.794  11.146
    6    H    ALA   2           H        ALA   2  21.477  25.259  13.626
    7    HA   ALA   2           HA       ALA   2  20.063  27.634  14.704
    8    HB1  ALA   2           HB1      ALA   2  19.071  24.811  14.482
    9    HB2  ALA   2           HB2      ALA   2  18.665  26.201  13.475
   10    HB3  ALA   2           HB3      ALA   2  18.209  26.125  15.189
   11    H    ARG   3           H        ARG   3  22.287  25.436  16.081
   12    HA   ARG   3           HA       ARG   3  21.615  26.332  18.779
   13    HB2  ARG   3           HB2      ARG   3  21.406  23.979  19.580
   14    HB3  ARG   3           HB1      ARG   3  20.475  24.143  18.099
   15    HG2  ARG   3           HG2      ARG   3  22.300  23.336  16.742
   16    HG3  ARG   3           HG1      ARG   3  23.260  23.068  18.215
   17    HD2  ARG   3           HD2      ARG   3  21.230  21.479  18.948
   18    HD3  ARG   3           HD1      ARG   3  20.476  21.966  17.480
   19    HE   ARG   3           HE       ARG   3  23.035  20.699  16.915
   20   HH11  ARG   3          1HH1      ARG   3  22.733  19.049  15.506
   21   HH12  ARG   3          2HH1      ARG   3  21.329  17.999  15.437
   22   HH21  ARG   3          1HH2      ARG   3  19.519  19.991  17.581
   23   HH22  ARG   3          2HH2      ARG   3  19.591  18.555  16.628
   24    H    DVA   4           H        DVA   4  24.275  25.584  16.672
   25    HA   DVA   4           HA       DVA   4  26.120  26.108  18.898
   26    HB   DVA   4           HB       DVA   4  25.982  27.651  16.337
   27   HG11  DVA   4          1HG1      DVA   4  25.278  28.255  19.296
   28   HG12  DVA   4          2HG1      DVA   4  24.244  28.478  17.880
   29   HG13  DVA   4          3HG1      DVA   4  25.652  29.558  18.150
   30   HG21  DVA   4          1HG2      DVA   4  28.252  27.315  17.044
   31   HG22  DVA   4          2HG2      DVA   4  27.759  27.839  18.726
   32   HG23  DVA   4          3HG2      DVA   4  27.650  28.987  17.397
   33    HA   DPR   5           HA       DPR   5  28.140  23.103  16.095
   34    HB2  DPR   5           HB1      DPR   5  29.389  21.534  17.912
   35    HB3  DPR   5           HB2      DPR   5  27.616  21.638  17.983
   36    HG2  DPR   5           HG1      DPR   5  29.686  23.297  19.464
   37    HG3  DPR   5           HG2      DPR   5  28.353  22.345  20.165
   38    HD2  DPR   5           HD1      DPR   5  28.032  25.044  19.796
   39    HD3  DPR   5           HD2      DPR   5  26.753  23.925  19.648
   40    H    ARG   6           H        ARG   6  30.186  22.534  15.608
   41    HA   ARG   6           HA       ARG   6  32.124  24.806  15.588
   42    HB2  ARG   6           HB2      ARG   6  31.914  22.256  14.011
   43    HB3  ARG   6           HB1      ARG   6  33.292  23.437  13.971
   44    HG2  ARG   6           HG2      ARG   6  33.473  22.892  16.444
   45    HG3  ARG   6           HG1      ARG   6  32.455  21.573  16.173
   46    HD2  ARG   6           HD2      ARG   6  34.922  21.930  14.454
   47    HD3  ARG   6           HD1      ARG   6  34.982  21.020  15.965
   48    HE   ARG   6           HE       ARG   6  33.967  20.141  13.426
   49   HH11  ARG   6          1HH1      ARG   6  32.966  17.980  13.329
   50   HH12  ARG   6          2HH1      ARG   6  32.857  17.059  14.820
   51   HH21  ARG   6          1HH2      ARG   6  33.935  19.552  16.929
   52   HH22  ARG   6          2HH2      ARG   6  33.303  17.947  16.800
   53    H    DLE   7           H        DLE   7  29.111  23.965  14.261
   54    HA   DLE   7           HA       DLE   7  29.713  25.378  11.757
   55    HB2  DLE   7           HB1      DLE   7  27.229  25.661  13.430
   56    HB3  DLE   7           HB2      DLE   7  27.421  26.380  11.775
   57    HG   DLE   7           HG       DLE   7  29.075  27.303  14.096
   58   HD11  DLE   7          1HD1      DLE   7  30.252  27.456  11.968
   59   HD12  DLE   7          2HD1      DLE   7  29.746  28.978  12.702
   60   HD13  DLE   7          3HD1      DLE   7  28.880  28.198  11.216
   61   HD21  DLE   7          1HD2      DLE   7  26.753  27.881  14.432
   62   HD22  DLE   7          2HD2      DLE   7  26.716  28.764  12.918
   63   HD23  DLE   7          3HD2      DLE   7  27.946  29.141  14.132
   64    H    DTH   8           H        DTH   8  28.683  24.737   9.960
   65    HA   DTH   8           HA       DTH   8  28.396  21.893   9.846
   66    HB   DTH   8           HB       DTH   8  28.323  23.896   7.665
   67   HG21  DTH   8          1HG2      DTH   8  30.558  23.606   8.629
   68   HG22  DTH   8          2HG2      DTH   8  30.574  22.903   7.065
   69   HG23  DTH   8          3HG2      DTH   8  30.395  21.831   8.478
   70    HG1  DTH   8           HG1      DTH   8  27.900  22.226   6.347
   71    HA   PRO   9           HA       PRO   9  23.935  22.029   9.340
   72    HB2  PRO   9           HB2      PRO   9  23.197  19.498  10.275
   73    HB3  PRO   9           HB1      PRO   9  23.823  19.980   8.675
   74    HG2  PRO   9           HG2      PRO   9  25.230  19.084  11.145
   75    HG3  PRO   9           HG1      PRO   9  25.422  18.293   9.512
   76    HD2  PRO   9           HD2      PRO   9  27.352  20.092  10.316
   77    HD3  PRO   9           HD1      PRO   9  26.672  20.080   8.607
   78    H    GLU  10           H        GLU  10  25.655  22.688  12.018
   79    HA   GLU  10           HA       GLU  10  23.463  22.156  13.981
   80    HB2  GLU  10           HB2      GLU  10  26.377  22.940  14.492
   81    HB3  GLU  10           HB1      GLU  10  25.161  22.553  15.655
   82    HG2  GLU  10           HG2      GLU  10  26.011  20.569  13.516
   83    HG3  GLU  10           HG1      GLU  10  26.754  20.822  15.154
  Start of MODEL   12
    1    H1   ALA   1           H1       ALA   1  23.804  25.131  11.991
    2    HA   ALA   1           HA       ALA   1  24.422  27.199  13.732
    3    HB1  ALA   1           HB1      ALA   1  22.678  27.136  11.184
    4    HB2  ALA   1           HB2      ALA   1  24.448  27.525  11.346
    5    HB3  ALA   1           HB3      ALA   1  23.155  28.595  12.048
    6    H    ALA   2           H        ALA   2  21.417  25.511  13.505
    7    HA   ALA   2           HA       ALA   2  19.959  27.400  14.934
    8    HB1  ALA   2           HB1      ALA   2  18.343  25.249  15.051
    9    HB2  ALA   2           HB2      ALA   2  19.807  24.390  14.561
   10    HB3  ALA   2           HB3      ALA   2  19.055  25.587  13.420
   11    H    ARG   3           H        ARG   3  22.349  25.548  16.128
   12    HA   ARG   3           HA       ARG   3  21.288  25.713  18.842
   13    HB2  ARG   3           HB2      ARG   3  21.545  23.464  19.503
   14    HB3  ARG   3           HB1      ARG   3  20.359  23.667  18.240
   15    HG2  ARG   3           HG2      ARG   3  21.987  22.861  16.596
   16    HG3  ARG   3           HG1      ARG   3  23.187  22.707  17.794
   17    HD2  ARG   3           HD2      ARG   3  21.560  21.243  19.142
   18    HD3  ARG   3           HD1      ARG   3  20.452  21.233  17.781
   19    HE   ARG   3           HE       ARG   3  23.117  20.308  16.949
   20   HH11  ARG   3          1HH1      ARG   3  23.219  18.566  15.746
   21   HH12  ARG   3          2HH1      ARG   3  22.036  17.304  15.892
   22   HH21  ARG   3          1HH2      ARG   3  20.000  18.993  18.050
   23   HH22  ARG   3          2HH2      ARG   3  20.441  17.443  17.342
   24    H    DVA   4           H        DVA   4  24.151  25.099  16.757
   25    HA   DVA   4           HA       DVA   4  25.887  26.403  18.661
   26    HB   DVA   4           HB       DVA   4  24.978  27.356  15.979
   27   HG11  DVA   4          1HG1      DVA   4  24.152  29.305  17.282
   28   HG12  DVA   4          2HG1      DVA   4  24.373  28.541  18.723
   29   HG13  DVA   4          3HG1      DVA   4  23.234  27.811  17.461
   30   HG21  DVA   4          1HG2      DVA   4  26.274  29.439  16.557
   31   HG22  DVA   4          2HG2      DVA   4  27.279  28.057  16.219
   32   HG23  DVA   4          3HG2      DVA   4  27.027  28.584  17.913
   33    HA   DPR   5           HA       DPR   5  27.917  23.221  16.360
   34    HB2  DPR   5           HB1      DPR   5  29.646  22.101  18.205
   35    HB3  DPR   5           HB2      DPR   5  27.980  21.750  18.070
   36    HG2  DPR   5           HG1      DPR   5  29.280  23.959  19.716
   37    HG3  DPR   5           HG2      DPR   5  28.058  22.732  20.335
   38    HD2  DPR   5           HD1      DPR   5  27.279  25.328  19.689
   39    HD3  DPR   5           HD2      DPR   5  26.336  23.896  19.387
   40    H    ARG   6           H        ARG   6  30.205  22.549  15.706
   41    HA   ARG   6           HA       ARG   6  32.265  24.708  15.592
   42    HB2  ARG   6           HB2      ARG   6  31.782  22.130  14.037
   43    HB3  ARG   6           HB1      ARG   6  33.025  23.202  13.684
   44    HG2  ARG   6           HG2      ARG   6  33.768  23.071  16.068
   45    HG3  ARG   6           HG1      ARG   6  32.892  21.582  16.207
   46    HD2  ARG   6           HD2      ARG   6  34.974  22.113  13.978
   47    HD3  ARG   6           HD1      ARG   6  35.309  21.272  15.541
   48    HE   ARG   6           HE       ARG   6  34.477  20.206  13.130
   49   HH11  ARG   6          1HH1      ARG   6  34.403  18.082  12.960
   50   HH12  ARG   6          2HH1      ARG   6  34.180  17.106  14.390
   51   HH21  ARG   6          1HH2      ARG   6  33.579  19.671  16.593
   52   HH22  ARG   6          2HH2      ARG   6  33.722  17.943  16.250
   53    H    DLE   7           H        DLE   7  29.369  23.539  13.863
   54    HA   DLE   7           HA       DLE   7  30.063  25.102  11.495
   55    HB2  DLE   7           HB1      DLE   7  27.409  25.239  12.931
   56    HB3  DLE   7           HB2      DLE   7  27.565  25.665  11.273
   57    HG   DLE   7           HG       DLE   7  29.115  27.043  13.423
   58   HD11  DLE   7          1HD1      DLE   7  29.274  28.916  11.548
   59   HD12  DLE   7          2HD1      DLE   7  28.719  27.588  10.500
   60   HD13  DLE   7          3HD1      DLE   7  30.168  27.334  11.470
   61   HD21  DLE   7          1HD2      DLE   7  26.788  27.207  13.869
   62   HD22  DLE   7          2HD2      DLE   7  26.426  27.739  12.191
   63   HD23  DLE   7          3HD2      DLE   7  27.328  28.783  13.162
   64    H    DTH   8           H        DTH   8  28.916  24.239   9.542
   65    HA   DTH   8           HA       DTH   8  28.391  21.439   9.850
   66    HB   DTH   8           HB       DTH   8  28.192  23.360   7.439
   67   HG21  DTH   8          1HG2      DTH   8  30.216  21.146   7.802
   68   HG22  DTH   8          2HG2      DTH   8  30.442  22.806   8.351
   69   HG23  DTH   8          3HG2      DTH   8  30.172  22.576   6.644
   70    HG1  DTH   8           HG1      DTH   8  28.254  21.081   6.578
   71    HA   PRO   9           HA       PRO   9  23.710  22.312   9.305
   72    HB2  PRO   9           HB2      PRO   9  22.751  20.211  10.543
   73    HB3  PRO   9           HB1      PRO   9  23.551  20.036   8.912
   74    HG2  PRO   9           HG2      PRO   9  24.648  19.502  11.589
   75    HG3  PRO   9           HG1      PRO   9  24.643  18.387  10.196
   76    HD2  PRO   9           HD2      PRO   9  26.862  19.950  10.629
   77    HD3  PRO   9           HD1      PRO   9  26.152  19.767   8.953
   78    H    GLU  10           H        GLU  10  25.738  22.663  11.953
   79    HA   GLU  10           HA       GLU  10  23.585  22.565  13.843
   80    HB2  GLU  10           HB2      GLU  10  26.462  23.331  14.578
   81    HB3  GLU  10           HB1      GLU  10  25.181  22.866  15.579
   82    HG2  GLU  10           HG2      GLU  10  26.093  20.905  13.445
   83    HG3  GLU  10           HG1      GLU  10  26.831  21.060  15.058
  Start of MODEL   13
    1    H1   ALA   1           H1       ALA   1  23.729  24.865  11.889
    2    HA   ALA   1           HA       ALA   1  24.267  27.116  13.580
    3    HB1  ALA   1           HB1      ALA   1  22.571  27.265  11.110
    4    HB2  ALA   1           HB2      ALA   1  24.318  27.337  11.174
    5    HB3  ALA   1           HB3      ALA   1  23.413  28.639  11.967
    6    H    ALA   2           H        ALA   2  21.335  25.393  13.212
    7    HA   ALA   2           HA       ALA   2  19.712  27.095  14.677
    8    HB1  ALA   2           HB1      ALA   2  18.381  25.172  15.345
    9    HB2  ALA   2           HB2      ALA   2  19.599  24.036  14.763
   10    HB3  ALA   2           HB3      ALA   2  18.793  25.192  13.670
   11    H    ARG   3           H        ARG   3  22.401  25.437  16.055
   12    HA   ARG   3           HA       ARG   3  21.517  25.892  18.790
   13    HB2  ARG   3           HB2      ARG   3  21.977  23.585  19.497
   14    HB3  ARG   3           HB1      ARG   3  20.570  23.761  18.455
   15    HG2  ARG   3           HG2      ARG   3  21.750  22.820  16.566
   16    HG3  ARG   3           HG1      ARG   3  23.233  22.780  17.448
   17    HD2  ARG   3           HD2      ARG   3  21.930  21.156  19.134
   18    HD3  ARG   3           HD1      ARG   3  20.622  21.318  18.016
   19    HE   ARG   3           HE       ARG   3  23.225  20.466  16.957
   20   HH11  ARG   3          1HH1      ARG   3  23.347  18.600  15.826
   21   HH12  ARG   3          2HH1      ARG   3  22.197  17.316  16.095
   22   HH21  ARG   3          1HH2      ARG   3  20.066  19.299  18.033
   23   HH22  ARG   3          2HH2      ARG   3  20.323  17.723  17.246
   24    H    DVA   4           H        DVA   4  24.091  25.335  16.775
   25    HA   DVA   4           HA       DVA   4  26.126  26.636  18.639
   26    HB   DVA   4           HB       DVA   4  25.557  27.308  15.747
   27   HG11  DVA   4          1HG1      DVA   4  24.771  29.412  16.590
   28   HG12  DVA   4          2HG1      DVA   4  25.244  29.032  18.259
   29   HG13  DVA   4          3HG1      DVA   4  23.884  28.179  17.566
   30   HG21  DVA   4          1HG2      DVA   4  27.290  28.887  16.038
   31   HG22  DVA   4          2HG2      DVA   4  27.921  27.367  16.358
   32   HG23  DVA   4          3HG2      DVA   4  27.572  28.450  17.703
   33    HA   DPR   5           HA       DPR   5  28.064  22.874  17.022
   34    HB2  DPR   5           HB1      DPR   5  29.778  23.304  19.420
   35    HB3  DPR   5           HB2      DPR   5  28.943  21.808  18.861
   36    HG2  DPR   5           HG1      DPR   5  28.116  23.278  21.059
   37    HG3  DPR   5           HG2      DPR   5  26.935  22.493  20.022
   38    HD2  DPR   5           HD1      DPR   5  27.870  25.317  20.093
   39    HD3  DPR   5           HD2      DPR   5  26.216  24.598  19.829
   40    H    ARG   6           H        ARG   6  29.739  22.646  15.765
   41    HA   ARG   6           HA       ARG   6  31.830  24.633  15.732
   42    HB2  ARG   6           HB2      ARG   6  31.832  21.838  14.710
   43    HB3  ARG   6           HB1      ARG   6  33.122  22.954  14.506
   44    HG2  ARG   6           HG2      ARG   6  33.656  23.161  16.834
   45    HG3  ARG   6           HG1      ARG   6  32.124  22.330  17.224
   46    HD2  ARG   6           HD2      ARG   6  34.416  21.061  15.526
   47    HD3  ARG   6           HD1      ARG   6  34.268  20.830  17.290
   48    HE   ARG   6           HE       ARG   6  32.558  19.772  15.269
   49   HH11  ARG   6          1HH1      ARG   6  31.262  17.956  15.901
   50   HH12  ARG   6          2HH1      ARG   6  30.914  17.694  17.593
   51   HH21  ARG   6          1HH2      ARG   6  32.717  20.392  18.854
   52   HH22  ARG   6          2HH2      ARG   6  31.782  18.946  19.096
   53    H    DLE   7           H        DLE   7  28.925  24.432  13.838
   54    HA   DLE   7           HA       DLE   7  30.473  24.658  11.344
   55    HB2  DLE   7           HB1      DLE   7  29.012  26.441  10.720
   56    HB3  DLE   7           HB2      DLE   7  30.361  26.805  11.893
   57    HG   DLE   7           HG       DLE   7  28.831  26.810  13.708
   58   HD11  DLE   7          1HD1      DLE   7  27.481  28.649  13.391
   59   HD12  DLE   7          2HD1      DLE   7  27.484  28.460  11.575
   60   HD13  DLE   7          3HD1      DLE   7  28.985  28.904  12.399
   61   HD21  DLE   7          1HD2      DLE   7  26.484  26.207  11.884
   62   HD22  DLE   7          2HD2      DLE   7  26.547  26.716  13.643
   63   HD23  DLE   7          3HD2      DLE   7  27.217  25.195  13.245
   64    H    DTH   8           H        DTH   8  29.029  24.452   9.415
   65    HA   DTH   8           HA       DTH   8  28.138  21.786   9.785
   66    HB   DTH   8           HB       DTH   8  28.224  23.622   7.394
   67   HG21  DTH   8          1HG2      DTH   8  29.598  20.996   7.655
   68   HG22  DTH   8          2HG2      DTH   8  30.355  22.452   8.224
   69   HG23  DTH   8          3HG2      DTH   8  30.003  22.347   6.540
   70    HG1  DTH   8           HG1      DTH   8  27.532  22.051   6.138
   71    HA   PRO   9           HA       PRO   9  23.731  22.105   9.248
   72    HB2  PRO   9           HB2      PRO   9  22.851  19.825  10.311
   73    HB3  PRO   9           HB1      PRO   9  23.640  19.907   8.689
   74    HG2  PRO   9           HG2      PRO   9  25.095  19.152  11.158
   75    HG3  PRO   9           HG1      PRO   9  25.189  18.417   9.556
   76    HD2  PRO   9           HD2      PRO   9  26.945  20.116  10.537
   77    HD3  PRO   9           HD1      PRO   9  26.402  20.012   8.743
   78    H    GLU  10           H        GLU  10  25.435  22.984  11.712
   79    HA   GLU  10           HA       GLU  10  23.542  22.466  13.845
   80    HB2  GLU  10           HB2      GLU  10  26.487  23.118  14.014
   81    HB3  GLU  10           HB1      GLU  10  25.533  22.687  15.419
   82    HG2  GLU  10           HG2      GLU  10  26.036  20.794  13.098
   83    HG3  GLU  10           HG1      GLU  10  26.890  20.794  14.609
  Start of MODEL   14
    1    H1   ALA   1           H1       ALA   1  22.975  24.878  11.742
    2    HA   ALA   1           HA       ALA   1  23.867  26.952  13.333
    3    HB1  ALA   1           HB1      ALA   1  23.786  27.468  11.137
    4    HB2  ALA   1           HB2      ALA   1  22.824  28.605  12.035
    5    HB3  ALA   1           HB3      ALA   1  22.004  27.333  11.061
    6    H    ALA   2           H        ALA   2  21.031  25.344  13.844
    7    HA   ALA   2           HA       ALA   2  19.779  27.523  15.281
    8    HB1  ALA   2           HB1      ALA   2  18.401  25.818  13.937
    9    HB2  ALA   2           HB2      ALA   2  17.869  25.921  15.569
   10    HB3  ALA   2           HB3      ALA   2  18.783  24.565  15.110
   11    H    ARG   3           H        ARG   3  22.056  25.397  15.899
   12    HA   ARG   3           HA       ARG   3  21.699  25.417  18.861
   13    HB2  ARG   3           HB2      ARG   3  21.370  23.310  17.722
   14    HB3  ARG   3           HB1      ARG   3  23.003  23.345  17.052
   15    HG2  ARG   3           HG2      ARG   3  23.676  23.327  19.723
   16    HG3  ARG   3           HG1      ARG   3  22.064  22.960  19.949
   17    HD2  ARG   3           HD2      ARG   3  22.796  21.126  20.217
   18    HD3  ARG   3           HD1      ARG   3  22.192  20.932  18.566
   19    HE   ARG   3           HE       ARG   3  24.375  20.821  17.610
   20   HH11  ARG   3          1HH1      ARG   3  26.390  20.334  17.535
   21   HH12  ARG   3          2HH1      ARG   3  27.304  20.136  18.989
   22   HH21  ARG   3          1HH2      ARG   3  24.802  21.465  21.076
   23   HH22  ARG   3          2HH2      ARG   3  26.475  20.965  20.987
   24    H    DVA   4           H        DVA   4  24.370  25.523  16.387
   25    HA   DVA   4           HA       DVA   4  26.126  26.495  18.575
   26    HB   DVA   4           HB       DVA   4  26.002  27.264  15.622
   27   HG11  DVA   4          1HG1      DVA   4  25.788  29.542  16.679
   28   HG12  DVA   4          2HG1      DVA   4  25.123  28.613  18.076
   29   HG13  DVA   4          3HG1      DVA   4  24.422  28.548  16.431
   30   HG21  DVA   4          1HG2      DVA   4  28.358  27.168  16.228
   31   HG22  DVA   4          2HG2      DVA   4  27.952  27.872  17.821
   32   HG23  DVA   4          3HG2      DVA   4  27.781  28.864  16.272
   33    HA   DPR   5           HA       DPR   5  28.445  22.719  17.037
   34    HB2  DPR   5           HB1      DPR   5  30.002  22.410  19.082
   35    HB3  DPR   5           HB2      DPR   5  28.290  21.970  19.170
   36    HG2  DPR   5           HG1      DPR   5  29.560  24.511  20.175
   37    HG3  DPR   5           HG2      DPR   5  28.451  23.429  21.059
   38    HD2  DPR   5           HD1      DPR   5  27.450  25.577  19.849
   39    HD3  DPR   5           HD2      DPR   5  26.533  24.051  19.818
   40    H    ARG   6           H        ARG   6  30.017  22.977  15.517
   41    HA   ARG   6           HA       ARG   6  31.915  25.222  15.960
   42    HB2  ARG   6           HB2      ARG   6  32.535  22.645  14.682
   43    HB3  ARG   6           HB1      ARG   6  33.664  24.019  14.853
   44    HG2  ARG   6           HG2      ARG   6  33.339  23.804  17.303
   45    HG3  ARG   6           HG1      ARG   6  32.520  22.288  17.143
   46    HD2  ARG   6           HD2      ARG   6  35.258  22.946  15.912
   47    HD3  ARG   6           HD1      ARG   6  34.940  22.003  17.440
   48    HE   ARG   6           HE       ARG   6  34.622  21.124  14.620
   49   HH11  ARG   6          1HH1      ARG   6  34.870  18.867  14.427
   50   HH12  ARG   6          2HH1      ARG   6  34.460  17.841  15.765
   51   HH21  ARG   6          1HH2      ARG   6  33.709  20.339  17.973
   52   HH22  ARG   6          2HH2      ARG   6  34.012  18.584  17.685
   53    H    DLE   7           H        DLE   7  29.756  23.549  13.953
   54    HA   DLE   7           HA       DLE   7  30.523  24.634  11.309
   55    HB2  DLE   7           HB1      DLE   7  28.520  26.014  11.099
   56    HB3  DLE   7           HB2      DLE   7  29.623  26.619  12.293
   57    HG   DLE   7           HG       DLE   7  28.014  25.992  14.069
   58   HD11  DLE   7          1HD1      DLE   7  27.383  28.073  12.013
   59   HD12  DLE   7          2HD1      DLE   7  28.152  28.092  13.645
   60   HD13  DLE   7          3HD1      DLE   7  26.406  27.735  13.332
   61   HD21  DLE   7          1HD2      DLE   7  26.049  25.742  11.717
   62   HD22  DLE   7          2HD2      DLE   7  25.848  25.623  13.553
   63   HD23  DLE   7          3HD2      DLE   7  26.536  24.295  12.617
   64    H    DTH   8           H        DTH   8  29.187  24.088   9.584
   65    HA   DTH   8           HA       DTH   8  28.446  21.355  10.195
   66    HB   DTH   8           HB       DTH   8  28.554  22.673   7.488
   67   HG21  DTH   8          1HG2      DTH   8  30.819  22.566   8.535
   68   HG22  DTH   8          2HG2      DTH   8  30.649  21.387   7.277
   69   HG23  DTH   8          3HG2      DTH   8  30.549  20.844   8.929
   70    HG1  DTH   8           HG1      DTH   8  28.842  20.556   7.013
   71    HA   PRO   9           HA       PRO   9  24.018  22.452   8.815
   72    HB2  PRO   9           HB2      PRO   9  22.769  20.335   9.596
   73    HB3  PRO   9           HB1      PRO   9  23.939  20.285   8.293
   74    HG2  PRO   9           HG2      PRO   9  24.286  19.427  11.237
   75    HG3  PRO   9           HG1      PRO   9  24.976  18.641   9.822
   76    HD2  PRO   9           HD2      PRO   9  26.529  20.437  11.257
   77    HD3  PRO   9           HD1      PRO   9  26.690  19.958   9.516
   78    H    GLU  10           H        GLU  10  25.183  22.936  11.791
   79    HA   GLU  10           HA       GLU  10  22.690  22.558  13.317
   80    HB2  GLU  10           HB2      GLU  10  25.560  22.775  14.371
   81    HB3  GLU  10           HB1      GLU  10  24.093  22.338  15.279
   82    HG2  GLU  10           HG2      GLU  10  24.181  20.146  13.755
   83    HG3  GLU  10           HG1      GLU  10  25.758  20.822  13.341
  Start of MODEL   15
    1    H1   ALA   1           H1       ALA   1  23.784  25.176  11.944
    2    HA   ALA   1           HA       ALA   1  24.112  27.215  13.787
    3    HB1  ALA   1           HB1      ALA   1  24.229  27.143  11.315
    4    HB2  ALA   1           HB2      ALA   1  23.649  28.679  12.103
    5    HB3  ALA   1           HB3      ALA   1  22.501  27.647  11.349
    6    H    ALA   2           H        ALA   2  21.230  25.320  13.876
    7    HA   ALA   2           HA       ALA   2  19.930  27.540  15.285
    8    HB1  ALA   2           HB1      ALA   2  18.418  26.141  14.005
    9    HB2  ALA   2           HB2      ALA   2  18.203  25.772  15.776
   10    HB3  ALA   2           HB3      ALA   2  19.023  24.686  14.851
   11    H    ARG   3           H        ARG   3  21.911  24.766  16.071
   12    HA   ARG   3           HA       ARG   3  21.410  24.654  18.984
   13    HB2  ARG   3           HB2      ARG   3  21.575  22.645  17.637
   14    HB3  ARG   3           HB1      ARG   3  23.217  22.939  17.298
   15    HG2  ARG   3           HG2      ARG   3  23.547  22.965  19.844
   16    HG3  ARG   3           HG1      ARG   3  21.812  22.484  20.038
   17    HD2  ARG   3           HD2      ARG   3  23.132  20.571  20.385
   18    HD3  ARG   3           HD1      ARG   3  22.297  20.456  18.763
   19    HE   ARG   3           HE       ARG   3  24.134  20.494  17.715
   20   HH11  ARG   3          1HH1      ARG   3  26.447  19.880  17.569
   21   HH12  ARG   3          2HH1      ARG   3  27.404  19.987  19.036
   22   HH21  ARG   3          1HH2      ARG   3  25.048  21.010  21.182
   23   HH22  ARG   3          2HH2      ARG   3  26.689  20.497  20.908
   24    H    DVA   4           H        DVA   4  23.899  25.527  16.560
   25    HA   DVA   4           HA       DVA   4  25.615  26.630  18.665
   26    HB   DVA   4           HB       DVA   4  25.103  27.501  15.752
   27   HG11  DVA   4          1HG1      DVA   4  24.086  29.395  16.826
   28   HG12  DVA   4          2HG1      DVA   4  24.363  28.590  18.396
   29   HG13  DVA   4          3HG1      DVA   4  23.239  27.811  17.286
   30   HG21  DVA   4          1HG2      DVA   4  26.375  29.374  16.053
   31   HG22  DVA   4          2HG2      DVA   4  27.451  28.025  16.398
   32   HG23  DVA   4          3HG2      DVA   4  26.742  28.913  17.787
   33    HA   DPR   5           HA       DPR   5  28.198  23.295  17.069
   34    HB2  DPR   5           HB1      DPR   5  30.162  23.150  18.993
   35    HB3  DPR   5           HB2      DPR   5  28.532  22.361  18.848
   36    HG2  DPR   5           HG1      DPR   5  29.258  24.721  20.599
   37    HG3  DPR   5           HG2      DPR   5  28.062  23.455  20.895
   38    HD2  DPR   5           HD1      DPR   5  27.130  25.800  19.995
   39    HD3  DPR   5           HD2      DPR   5  26.452  24.194  19.626
   40    H    ARG   6           H        ARG   6  29.635  23.063  15.786
   41    HA   ARG   6           HA       ARG   6  31.856  25.038  15.690
   42    HB2  ARG   6           HB2      ARG   6  32.046  22.116  15.115
   43    HB3  ARG   6           HB1      ARG   6  33.404  23.323  15.320
   44    HG2  ARG   6           HG2      ARG   6  32.631  23.514  17.657
   45    HG3  ARG   6           HG1      ARG   6  31.551  22.114  17.424
   46    HD2  ARG   6           HD2      ARG   6  34.564  22.140  16.985
   47    HD3  ARG   6           HD1      ARG   6  33.649  21.610  18.461
   48    HE   ARG   6           HE       ARG   6  32.859  20.086  16.164
   49   HH11  ARG   6          1HH1      ARG   6  33.502  17.879  16.029
   50   HH12  ARG   6          2HH1      ARG   6  34.217  17.230  17.496
   51   HH21  ARG   6          1HH2      ARG   6  35.377  20.248  18.617
   52   HH22  ARG   6          2HH2      ARG   6  35.660  18.471  18.451
   53    H    DLE   7           H        DLE   7  29.330  24.182  13.699
   54    HA   DLE   7           HA       DLE   7  30.956  23.959  11.289
   55    HB2  DLE   7           HB1      DLE   7  29.277  25.620  10.202
   56    HB3  DLE   7           HB2      DLE   7  30.560  26.262  11.218
   57    HG   DLE   7           HG       DLE   7  29.032  26.555  13.070
   58   HD11  DLE   7          1HD1      DLE   7  27.362  27.499  10.744
   59   HD12  DLE   7          2HD1      DLE   7  28.970  28.119  11.154
   60   HD13  DLE   7          3HD1      DLE   7  27.632  28.327  12.297
   61   HD21  DLE   7          1HD2      DLE   7  27.509  24.747  12.978
   62   HD22  DLE   7          2HD2      DLE   7  26.715  25.324  11.421
   63   HD23  DLE   7          3HD2      DLE   7  26.561  26.200  12.905
   64    H    DTH   8           H        DTH   8  29.555  23.502   9.212
   65    HA   DTH   8           HA       DTH   8  28.085  21.159   9.912
   66    HB   DTH   8           HB       DTH   8  28.786  22.368   7.285
   67   HG21  DTH   8          1HG2      DTH   8  29.826  20.148   6.990
   68   HG22  DTH   8          2HG2      DTH   8  29.268  19.682   8.656
   69   HG23  DTH   8          3HG2      DTH   8  30.419  20.926   8.528
   70    HG1  DTH   8           HG1      DTH   8  27.510  20.773   6.402
   71    HA   PRO   9           HA       PRO   9  24.033  22.866   8.985
   72    HB2  PRO   9           HB2      PRO   9  22.386  20.860   9.769
   73    HB3  PRO   9           HB1      PRO   9  23.225  20.823   8.245
   74    HG2  PRO   9           HG2      PRO   9  23.874  19.735  10.988
   75    HG3  PRO   9           HG1      PRO   9  24.086  18.764   9.483
   76    HD2  PRO   9           HD2      PRO   9  26.240  19.822  10.609
   77    HD3  PRO   9           HD1      PRO   9  25.970  19.736   8.901
   78    H    GLU  10           H        GLU  10  25.473  22.603  11.928
   79    HA   GLU  10           HA       GLU  10  23.140  22.517  13.488
   80    HB2  GLU  10           HB2      GLU  10  26.094  22.756  14.300
   81    HB3  GLU  10           HB1      GLU  10  24.709  22.534  15.397
   82    HG2  GLU  10           HG2      GLU  10  24.083  20.483  13.778
   83    HG3  GLU  10           HG1      GLU  10  25.647  20.696  13.148
  Start of MODEL   16
    1    H1   ALA   1           H1       ALA   1  23.093  24.471  11.944
    2    HA   ALA   1           HA       ALA   1  23.850  26.737  13.516
    3    HB1  ALA   1           HB1      ALA   1  24.161  26.689  11.088
    4    HB2  ALA   1           HB2      ALA   1  23.264  28.069  11.589
    5    HB3  ALA   1           HB3      ALA   1  22.405  26.609  10.818
    6    H    ALA   2           H        ALA   2  21.363  25.053  14.344
    7    HA   ALA   2           HA       ALA   2  19.842  27.467  15.019
    8    HB1  ALA   2           HB1      ALA   2  18.617  25.880  13.814
    9    HB2  ALA   2           HB2      ALA   2  17.876  26.173  15.383
   10    HB3  ALA   2           HB3      ALA   2  18.787  24.610  15.059
   11    H    ARG   3           H        ARG   3  22.020  25.239  16.134
   12    HA   ARG   3           HA       ARG   3  21.485  25.702  19.000
   13    HB2  ARG   3           HB2      ARG   3  21.248  23.363  18.123
   14    HB3  ARG   3           HB1      ARG   3  22.958  23.476  17.584
   15    HG2  ARG   3           HG2      ARG   3  23.594  23.768  19.972
   16    HG3  ARG   3           HG1      ARG   3  21.845  23.760  20.429
   17    HD2  ARG   3           HD2      ARG   3  22.712  21.623  20.955
   18    HD3  ARG   3           HD1      ARG   3  21.700  21.426  19.500
   19    HE   ARG   3           HE       ARG   3  23.622  21.241  18.151
   20   HH11  ARG   3          1HH1      ARG   3  25.319  19.601  17.911
   21   HH12  ARG   3          2HH1      ARG   3  26.103  19.221  19.445
   22   HH21  ARG   3          1HH2      ARG   3  24.399  20.880  21.700
   23   HH22  ARG   3          2HH2      ARG   3  25.934  20.154  21.313
   24    H    DVA   4           H        DVA   4  24.192  25.318  16.651
   25    HA   DVA   4           HA       DVA   4  25.948  26.661  18.449
   26    HB   DVA   4           HB       DVA   4  25.821  27.207  15.465
   27   HG11  DVA   4          1HG1      DVA   4  25.114  29.614  16.284
   28   HG12  DVA   4          2HG1      DVA   4  24.837  28.801  17.864
   29   HG13  DVA   4          3HG1      DVA   4  23.932  28.354  16.539
   30   HG21  DVA   4          1HG2      DVA   4  27.558  28.469  17.712
   31   HG22  DVA   4          2HG2      DVA   4  27.478  29.082  16.085
   32   HG23  DVA   4          3HG2      DVA   4  28.110  27.494  16.303
   33    HA   DPR   5           HA       DPR   5  28.200  22.843  16.962
   34    HB2  DPR   5           HB1      DPR   5  29.803  23.746  19.444
   35    HB3  DPR   5           HB2      DPR   5  29.336  22.100  18.950
   36    HG2  DPR   5           HG1      DPR   5  27.915  23.061  20.895
   37    HG3  DPR   5           HG2      DPR   5  27.118  22.293  19.416
   38    HD2  DPR   5           HD1      DPR   5  27.553  25.263  19.886
   39    HD3  DPR   5           HD2      DPR   5  26.045  24.375  19.412
   40    H    ARG   6           H        ARG   6  30.091  22.587  16.091
   41    HA   ARG   6           HA       ARG   6  31.957  24.783  15.770
   42    HB2  ARG   6           HB2      ARG   6  31.977  21.873  15.230
   43    HB3  ARG   6           HB1      ARG   6  33.314  22.898  14.703
   44    HG2  ARG   6           HG2      ARG   6  33.521  23.509  17.284
   45    HG3  ARG   6           HG1      ARG   6  32.422  22.224  17.560
   46    HD2  ARG   6           HD2      ARG   6  35.173  21.979  16.174
   47    HD3  ARG   6           HD1      ARG   6  34.644  21.359  17.809
   48    HE   ARG   6           HE       ARG   6  33.557  20.328  15.306
   49   HH11  ARG   6          1HH1      ARG   6  33.863  18.382  14.632
   50   HH12  ARG   6          2HH1      ARG   6  34.955  17.310  15.521
   51   HH21  ARG   6          1HH2      ARG   6  35.583  19.323  18.166
   52   HH22  ARG   6          2HH2      ARG   6  35.915  17.826  17.403
   53    H    DLE   7           H        DLE   7  29.385  24.039  14.126
   54    HA   DLE   7           HA       DLE   7  30.512  24.731  11.493
   55    HB2  DLE   7           HB1      DLE   7  28.815  26.133  10.824
   56    HB3  DLE   7           HB2      DLE   7  29.998  26.672  12.149
   57    HG   DLE   7           HG       DLE   7  28.181  26.179  13.829
   58   HD11  DLE   7          1HD1      DLE   7  27.105  28.413  13.472
   59   HD12  DLE   7          2HD1      DLE   7  27.968  28.622  11.967
   60   HD13  DLE   7          3HD1      DLE   7  28.864  28.456  13.424
   61   HD21  DLE   7          1HD2      DLE   7  26.565  25.070  12.597
   62   HD22  DLE   7          2HD2      DLE   7  26.307  26.386  11.380
   63   HD23  DLE   7          3HD2      DLE   7  25.885  26.487  13.148
   64    H    DTH   8           H        DTH   8  29.171  24.347   9.763
   65    HA   DTH   8           HA       DTH   8  28.307  21.584   9.827
   66    HB   DTH   8           HB       DTH   8  28.790  23.399   7.550
   67   HG21  DTH   8          1HG2      DTH   8  30.618  21.966   7.257
   68   HG22  DTH   8          2HG2      DTH   8  29.826  20.612   8.262
   69   HG23  DTH   8          3HG2      DTH   8  30.534  22.008   8.928
   70    HG1  DTH   8           HG1      DTH   8  26.948  22.340   6.975
   71    HA   PRO   9           HA       PRO   9  23.831  22.552   9.064
   72    HB2  PRO   9           HB2      PRO   9  22.785  20.321  10.067
   73    HB3  PRO   9           HB1      PRO   9  23.672  20.207   8.543
   74    HG2  PRO   9           HG2      PRO   9  24.736  19.526  11.340
   75    HG3  PRO   9           HG1      PRO   9  24.823  18.649   9.819
   76    HD2  PRO   9           HD2      PRO   9  26.736  20.372  10.860
   77    HD3  PRO   9           HD1      PRO   9  26.610  19.935   9.080
   78    H    GLU  10           H        GLU  10  25.651  22.533  11.877
   79    HA   GLU  10           HA       GLU  10  23.434  22.227  13.677
   80    HB2  GLU  10           HB2      GLU  10  26.162  23.067  14.433
   81    HB3  GLU  10           HB1      GLU  10  24.886  22.502  15.461
   82    HG2  GLU  10           HG2      GLU  10  24.685  20.449  13.836
   83    HG3  GLU  10           HG1      GLU  10  26.387  20.648  13.509
  Start of MODEL   17
    1    H1   ALA   1           H1       ALA   1  22.749  23.985  11.864
    2    HA   ALA   1           HA       ALA   1  23.989  26.333  12.906
    3    HB1  ALA   1           HB1      ALA   1  23.603  25.906  10.523
    4    HB2  ALA   1           HB2      ALA   1  22.930  27.458  11.009
    5    HB3  ALA   1           HB3      ALA   1  21.825  26.056  10.704
    6    H    ALA   2           H        ALA   2  21.082  25.322  13.911
    7    HA   ALA   2           HA       ALA   2  20.846  27.870  15.353
    8    HB1  ALA   2           HB1      ALA   2  18.479  27.766  15.572
    9    HB2  ALA   2           HB2      ALA   2  18.411  26.170  14.940
   10    HB3  ALA   2           HB3      ALA   2  18.829  27.485  13.866
   11    H    ARG   3           H        ARG   3  22.406  25.379  16.061
   12    HA   ARG   3           HA       ARG   3  21.641  25.461  18.940
   13    HB2  ARG   3           HB2      ARG   3  21.296  23.153  17.869
   14    HB3  ARG   3           HB1      ARG   3  22.870  23.107  17.371
   15    HG2  ARG   3           HG2      ARG   3  23.347  23.354  20.149
   16    HG3  ARG   3           HG1      ARG   3  21.668  23.574  20.151
   17    HD2  ARG   3           HD2      ARG   3  22.229  21.239  20.934
   18    HD3  ARG   3           HD1      ARG   3  21.318  21.168  19.449
   19    HE   ARG   3           HE       ARG   3  23.952  21.325  18.715
   20   HH11  ARG   3          1HH1      ARG   3  24.601  19.459  17.319
   21   HH12  ARG   3          2HH1      ARG   3  23.589  18.103  17.287
   22   HH21  ARG   3          1HH2      ARG   3  21.508  19.007  19.865
   23   HH22  ARG   3          2HH2      ARG   3  22.141  17.632  19.023
   24    H    DVA   4           H        DVA   4  24.252  25.222  16.644
   25    HA   DVA   4           HA       DVA   4  25.856  26.748  18.619
   26    HB   DVA   4           HB       DVA   4  25.735  27.093  15.614
   27   HG11  DVA   4          1HG1      DVA   4  24.920  29.087  17.721
   28   HG12  DVA   4          2HG1      DVA   4  23.760  28.134  16.637
   29   HG13  DVA   4          3HG1      DVA   4  24.847  29.306  16.041
   30   HG21  DVA   4          1HG2      DVA   4  27.385  28.649  17.671
   31   HG22  DVA   4          2HG2      DVA   4  27.241  29.110  16.066
   32   HG23  DVA   4          3HG2      DVA   4  27.992  27.516  16.446
   33    HA   DPR   5           HA       DPR   5  28.455  23.125  17.819
   34    HB2  DPR   5           HB1      DPR   5  30.709  23.692  19.111
   35    HB3  DPR   5           HB2      DPR   5  29.311  23.201  20.010
   36    HG2  DPR   5           HG1      DPR   5  30.144  26.107  19.477
   37    HG3  DPR   5           HG2      DPR   5  29.638  25.298  21.023
   38    HD2  DPR   5           HD1      DPR   5  28.005  26.769  19.470
   39    HD3  DPR   5           HD2      DPR   5  27.300  25.375  20.260
   40    H    ARG   6           H        ARG   6  30.124  22.596  16.428
   41    HA   ARG   6           HA       ARG   6  32.116  24.696  15.713
   42    HB2  ARG   6           HB2      ARG   6  31.919  21.921  14.676
   43    HB3  ARG   6           HB1      ARG   6  33.292  22.958  14.493
   44    HG2  ARG   6           HG2      ARG   6  33.763  22.730  16.930
   45    HG3  ARG   6           HG1      ARG   6  32.350  21.700  17.093
   46    HD2  ARG   6           HD2      ARG   6  35.002  21.277  15.786
   47    HD3  ARG   6           HD1      ARG   6  34.289  20.358  17.104
   48    HE   ARG   6           HE       ARG   6  33.253  20.165  14.280
   49   HH11  ARG   6          1HH1      ARG   6  32.265  18.289  13.741
   50   HH12  ARG   6          2HH1      ARG   6  32.577  16.871  14.679
   51   HH21  ARG   6          1HH2      ARG   6  34.104  18.361  17.351
   52   HH22  ARG   6          2HH2      ARG   6  33.411  16.932  16.575
   53    H    DLE   7           H        DLE   7  29.182  24.135  14.167
   54    HA   DLE   7           HA       DLE   7  30.436  24.664  11.670
   55    HB2  DLE   7           HB1      DLE   7  28.940  26.593  11.087
   56    HB3  DLE   7           HB2      DLE   7  30.117  26.984  12.359
   57    HG   DLE   7           HG       DLE   7  28.476  26.814  13.974
   58   HD11  DLE   7          1HD1      DLE   7  29.001  28.887  12.932
   59   HD12  DLE   7          2HD1      DLE   7  27.309  28.837  13.431
   60   HD13  DLE   7          3HD1      DLE   7  27.729  28.684  11.719
   61   HD21  DLE   7          1HD2      DLE   7  26.030  26.823  13.163
   62   HD22  DLE   7          2HD2      DLE   7  26.821  25.273  13.446
   63   HD23  DLE   7          3HD2      DLE   7  26.578  25.924  11.754
   64    H    DTH   8           H        DTH   8  28.850  24.594   9.797
   65    HA   DTH   8           HA       DTH   8  28.228  21.707  10.024
   66    HB   DTH   8           HB       DTH   8  29.015  23.411   7.780
   67   HG21  DTH   8          1HG2      DTH   8  30.190  21.553   7.078
   68   HG22  DTH   8          2HG2      DTH   8  29.178  20.438   7.987
   69   HG23  DTH   8          3HG2      DTH   8  30.268  21.472   8.887
   70    HG1  DTH   8           HG1      DTH   8  28.098  22.420   6.300
   71    HA   PRO   9           HA       PRO   9  23.830  22.646   8.855
   72    HB2  PRO   9           HB2      PRO   9  22.632  20.356   9.162
   73    HB3  PRO   9           HB1      PRO   9  23.832  20.535   7.828
   74    HG2  PRO   9           HG2      PRO   9  24.457  19.163  10.445
   75    HG3  PRO   9           HG1      PRO   9  24.901  18.762   8.776
   76    HD2  PRO   9           HD2      PRO   9  26.573  20.137  10.394
   77    HD3  PRO   9           HD1      PRO   9  26.579  20.303   8.537
   78    H    GLU  10           H        GLU  10  25.376  22.327  11.786
   79    HA   GLU  10           HA       GLU  10  23.004  21.860  13.478
   80    HB2  GLU  10           HB2      GLU  10  25.968  22.295  14.134
   81    HB3  GLU  10           HB1      GLU  10  24.749  22.221  15.276
   82    HG2  GLU  10           HG2      GLU  10  23.988  20.018  14.729
   83    HG3  GLU  10           HG1      GLU  10  25.178  19.913  13.418
  Start of MODEL   18
    1    H1   ALA   1           H1       ALA   1  22.908  24.563  11.900
    2    HA   ALA   1           HA       ALA   1  24.330  26.815  13.118
    3    HB1  ALA   1           HB1      ALA   1  22.236  26.762  10.884
    4    HB2  ALA   1           HB2      ALA   1  24.056  26.734  10.868
    5    HB3  ALA   1           HB3      ALA   1  23.303  28.133  11.427
    6    H    ALA   2           H        ALA   2  21.086  25.357  13.883
    7    HA   ALA   2           HA       ALA   2  20.882  27.673  15.677
    8    HB1  ALA   2           HB1      ALA   2  18.563  27.410  15.767
    9    HB2  ALA   2           HB2      ALA   2  18.521  25.881  14.784
   10    HB3  ALA   2           HB3      ALA   2  19.087  27.427  14.077
   11    H    ARG   3           H        ARG   3  22.233  24.751  15.776
   12    HA   ARG   3           HA       ARG   3  21.427  24.564  18.612
   13    HB2  ARG   3           HB2      ARG   3  23.437  22.905  17.018
   14    HB3  ARG   3           HB1      ARG   3  22.961  22.619  18.691
   15    HG2  ARG   3           HG2      ARG   3  20.843  21.752  18.184
   16    HG3  ARG   3           HG1      ARG   3  20.838  22.322  16.597
   17    HD2  ARG   3           HD2      ARG   3  21.327  19.958  16.756
   18    HD3  ARG   3           HD1      ARG   3  22.676  20.872  15.931
   19    HE   ARG   3           HE       ARG   3  23.961  19.794  17.585
   20   HH11  ARG   3          1HH1      ARG   3  24.535  18.691  19.428
   21   HH12  ARG   3          2HH1      ARG   3  23.371  18.385  20.678
   22   HH21  ARG   3          1HH2      ARG   3  20.793  19.778  18.914
   23   HH22  ARG   3          2HH2      ARG   3  21.499  19.130  20.503
   24    H    DVA   4           H        DVA   4  24.264  25.241  16.494
   25    HA   DVA   4           HA       DVA   4  25.534  26.708  18.636
   26    HB   DVA   4           HB       DVA   4  25.532  27.212  15.704
   27   HG11  DVA   4          1HG1      DVA   4  24.306  28.613  17.955
   28   HG12  DVA   4          2HG1      DVA   4  23.397  27.774  16.572
   29   HG13  DVA   4          3HG1      DVA   4  24.171  29.230  16.299
   30   HG21  DVA   4          1HG2      DVA   4  26.647  29.091  17.931
   31   HG22  DVA   4          2HG2      DVA   4  26.875  29.171  16.163
   32   HG23  DVA   4          3HG2      DVA   4  27.664  27.918  16.990
   33    HA   DPR   5           HA       DPR   5  28.598  23.530  18.152
   34    HB2  DPR   5           HB1      DPR   5  30.595  25.269  19.398
   35    HB3  DPR   5           HB2      DPR   5  30.097  23.598  19.644
   36    HG2  DPR   5           HG1      DPR   5  29.153  25.508  21.380
   37    HG3  DPR   5           HG2      DPR   5  28.111  24.177  20.700
   38    HD2  DPR   5           HD1      DPR   5  28.189  26.986  19.686
   39    HD3  DPR   5           HD2      DPR   5  26.830  25.954  20.095
   40    H    ARG   6           H        ARG   6  30.112  23.007  16.670
   41    HA   ARG   6           HA       ARG   6  32.174  24.645  15.861
   42    HB2  ARG   6           HB2      ARG   6  31.500  21.834  14.860
   43    HB3  ARG   6           HB1      ARG   6  33.007  22.786  14.562
   44    HG2  ARG   6           HG2      ARG   6  33.201  22.630  17.072
   45    HG3  ARG   6           HG1      ARG   6  31.859  21.501  17.105
   46    HD2  ARG   6           HD2      ARG   6  34.499  21.225  15.732
   47    HD3  ARG   6           HD1      ARG   6  34.181  20.569  17.250
   48    HE   ARG   6           HE       ARG   6  32.138  19.559  15.494
   49   HH11  ARG   6          1HH1      ARG   6  31.910  17.363  15.620
   50   HH12  ARG   6          2HH1      ARG   6  33.413  16.381  15.658
   51   HH21  ARG   6          1HH2      ARG   6  35.493  19.092  16.150
   52   HH22  ARG   6          2HH2      ARG   6  35.536  17.358  16.018
   53    H    DLE   7           H        DLE   7  29.423  23.628  14.023
   54    HA   DLE   7           HA       DLE   7  30.545  24.381  11.437
   55    HB2  DLE   7           HB1      DLE   7  28.690  25.738  10.783
   56    HB3  DLE   7           HB2      DLE   7  30.040  26.358  11.675
   57    HG   DLE   7           HG       DLE   7  28.572  26.525  13.709
   58   HD11  DLE   7          1HD1      DLE   7  28.332  28.579  12.117
   59   HD12  DLE   7          2HD1      DLE   7  26.820  28.026  13.061
   60   HD13  DLE   7          3HD1      DLE   7  27.142  27.675  11.343
   61   HD21  DLE   7          1HD2      DLE   7  27.063  24.621  13.415
   62   HD22  DLE   7          2HD2      DLE   7  26.378  25.337  11.908
   63   HD23  DLE   7          3HD2      DLE   7  26.224  26.004  13.650
   64    H    DTH   8           H        DTH   8  29.305  23.771   9.611
   65    HA   DTH   8           HA       DTH   8  27.733  21.363   9.998
   66    HB   DTH   8           HB       DTH   8  28.752  22.927   7.711
   67   HG21  DTH   8          1HG2      DTH   8  29.353  20.189   8.778
   68   HG22  DTH   8          2HG2      DTH   8  30.522  21.500   8.598
   69   HG23  DTH   8          3HG2      DTH   8  29.948  20.699   7.188
   70    HG1  DTH   8           HG1      DTH   8  27.694  21.702   6.269
   71    HA   PRO   9           HA       PRO   9  23.666  22.877   8.783
   72    HB2  PRO   9           HB2      PRO   9  22.281  20.640   9.398
   73    HB3  PRO   9           HB1      PRO   9  23.347  20.782   7.946
   74    HG2  PRO   9           HG2      PRO   9  23.897  19.471  10.613
   75    HG3  PRO   9           HG1      PRO   9  24.040  18.854   8.997
   76    HD2  PRO   9           HD2      PRO   9  26.208  19.952  10.184
   77    HD3  PRO   9           HD1      PRO   9  25.955  20.134   8.403
   78    H    GLU  10           H        GLU  10  25.282  22.415  11.759
   79    HA   GLU  10           HA       GLU  10  22.960  22.269  13.421
   80    HB2  GLU  10           HB2      GLU  10  25.817  22.662  14.318
   81    HB3  GLU  10           HB1      GLU  10  24.458  22.007  15.215
   82    HG2  GLU  10           HG2      GLU  10  24.353  20.079  13.710
   83    HG3  GLU  10           HG1      GLU  10  25.968  20.550  13.032
  Start of MODEL   19
    1    H1   ALA   1           H1       ALA   1  22.723  24.497  11.582
    2    HA   ALA   1           HA       ALA   1  23.739  26.816  12.753
    3    HB1  ALA   1           HB1      ALA   1  21.495  26.259  10.766
    4    HB2  ALA   1           HB2      ALA   1  23.168  26.204  10.485
    5    HB3  ALA   1           HB3      ALA   1  22.420  27.817  10.911
    6    H    ALA   2           H        ALA   2  21.167  25.174  14.156
    7    HA   ALA   2           HA       ALA   2  20.413  27.728  15.571
    8    HB1  ALA   2           HB1      ALA   2  18.284  26.527  16.031
    9    HB2  ALA   2           HB2      ALA   2  18.870  25.067  15.264
   10    HB3  ALA   2           HB3      ALA   2  18.516  26.327  14.240
   11    H    ARG   3           H        ARG   3  21.755  24.522  15.903
   12    HA   ARG   3           HA       ARG   3  21.971  24.636  18.803
   13    HB2  ARG   3           HB2      ARG   3  21.828  22.594  17.413
   14    HB3  ARG   3           HB1      ARG   3  23.405  23.166  16.696
   15    HG2  ARG   3           HG2      ARG   3  24.252  23.015  19.177
   16    HG3  ARG   3           HG1      ARG   3  22.809  22.224  19.562
   17    HD2  ARG   3           HD2      ARG   3  23.026  20.586  17.732
   18    HD3  ARG   3           HD1      ARG   3  24.712  21.133  17.590
   19    HE   ARG   3           HE       ARG   3  24.133  20.242  20.306
   20   HH11  ARG   3          1HH1      ARG   3  25.260  18.978  21.045
   21   HH12  ARG   3          2HH1      ARG   3  26.288  17.689  20.399
   22   HH21  ARG   3          1HH2      ARG   3  25.438  19.092  17.134
   23   HH22  ARG   3          2HH2      ARG   3  26.602  18.133  18.011
   24    H    DVA   4           H        DVA   4  24.468  25.441  16.129
   25    HA   DVA   4           HA       DVA   4  25.712  26.847  18.328
   26    HB   DVA   4           HB       DVA   4  26.363  27.015  15.372
   27   HG11  DVA   4          1HG1      DVA   4  24.252  27.817  15.108
   28   HG12  DVA   4          2HG1      DVA   4  25.239  29.177  15.325
   29   HG13  DVA   4          3HG1      DVA   4  24.267  28.650  16.721
   30   HG21  DVA   4          1HG2      DVA   4  27.435  29.051  16.097
   31   HG22  DVA   4          2HG2      DVA   4  28.082  27.767  17.128
   32   HG23  DVA   4          3HG2      DVA   4  26.835  28.949  17.686
   33    HA   DPR   5           HA       DPR   5  28.781  23.512  18.421
   34    HB2  DPR   5           HB1      DPR   5  30.553  25.723  19.729
   35    HB3  DPR   5           HB2      DPR   5  30.261  23.937  19.988
   36    HG2  DPR   5           HG1      DPR   5  28.935  26.020  21.306
   37    HG3  DPR   5           HG2      DPR   5  28.426  24.393  21.127
   38    HD2  DPR   5           HD1      DPR   5  27.439  26.906  19.794
   39    HD3  DPR   5           HD2      DPR   5  26.644  25.306  20.051
   40    H    ARG   6           H        ARG   6  29.809  22.776  16.791
   41    HA   ARG   6           HA       ARG   6  32.220  23.736  15.883
   42    HB2  ARG   6           HB2      ARG   6  31.561  21.417  15.977
   43    HB3  ARG   6           HB1      ARG   6  30.488  21.693  14.636
   44    HG2  ARG   6           HG2      ARG   6  32.405  22.463  13.271
   45    HG3  ARG   6           HG1      ARG   6  33.530  22.250  14.664
   46    HD2  ARG   6           HD2      ARG   6  32.595  19.835  14.723
   47    HD3  ARG   6           HD1      ARG   6  32.149  20.041  13.079
   48    HE   ARG   6           HE       ARG   6  34.065  20.441  12.195
   49   HH11  ARG   6          1HH1      ARG   6  36.150  19.696  11.891
   50   HH12  ARG   6          2HH1      ARG   6  37.166  19.218  13.206
   51   HH21  ARG   6          1HH2      ARG   6  34.561  19.453  15.599
   52   HH22  ARG   6          2HH2      ARG   6  36.262  19.084  15.365
   53    H    DLE   7           H        DLE   7  28.986  23.892  14.177
   54    HA   DLE   7           HA       DLE   7  30.498  24.477  11.743
   55    HB2  DLE   7           HB1      DLE   7  28.991  26.299  10.991
   56    HB3  DLE   7           HB2      DLE   7  30.139  26.693  12.192
   57    HG   DLE   7           HG       DLE   7  28.419  26.409  13.868
   58   HD11  DLE   7          1HD1      DLE   7  28.761  28.625  13.041
   59   HD12  DLE   7          2HD1      DLE   7  27.107  28.531  13.404
   60   HD13  DLE   7          3HD1      DLE   7  27.676  28.393  11.675
   61   HD21  DLE   7          1HD2      DLE   7  26.608  24.990  12.951
   62   HD22  DLE   7          2HD2      DLE   7  26.334  26.077  11.563
   63   HD23  DLE   7          3HD2      DLE   7  25.930  26.612  13.091
   64    H    DTH   8           H        DTH   8  29.099  24.251   9.696
   65    HA   DTH   8           HA       DTH   8  28.233  21.608   9.855
   66    HB   DTH   8           HB       DTH   8  28.425  23.798   7.769
   67   HG21  DTH   8          1HG2      DTH   8  30.531  23.242   7.629
   68   HG22  DTH   8          2HG2      DTH   8  30.135  21.652   7.110
   69   HG23  DTH   8          3HG2      DTH   8  30.316  21.997   8.846
   70    HG1  DTH   8           HG1      DTH   8  27.962  22.226   6.229
   71    HA   PRO   9           HA       PRO   9  23.927  22.615   8.721
   72    HB2  PRO   9           HB2      PRO   9  23.027  20.214   9.846
   73    HB3  PRO   9           HB1      PRO   9  23.123  20.633   8.069
   74    HG2  PRO   9           HG2      PRO   9  24.782  18.607   9.185
   75    HG3  PRO   9           HG1      PRO   9  25.109  19.742   7.831
   76    HD2  PRO   9           HD2      PRO   9  25.991  20.007  10.719
   77    HD3  PRO   9           HD1      PRO   9  26.997  20.240   9.219
   78    H    GLU  10           H        GLU  10  25.283  22.908  11.641
   79    HA   GLU  10           HA       GLU  10  22.967  22.199  13.282
   80    HB2  GLU  10           HB2      GLU  10  25.797  23.029  14.198
   81    HB3  GLU  10           HB1      GLU  10  24.470  22.260  15.111
   82    HG2  GLU  10           HG2      GLU  10  24.581  20.406  13.260
   83    HG3  GLU  10           HG1      GLU  10  26.259  20.991  13.104
  Start of MODEL   20
    1    H1   ALA   1           H1       ALA   1  22.816  24.336  11.976
    2    HA   ALA   1           HA       ALA   1  24.001  26.760  12.694
    3    HB1  ALA   1           HB1      ALA   1  23.367  26.138  10.436
    4    HB2  ALA   1           HB2      ALA   1  22.687  27.631  10.949
    5    HB3  ALA   1           HB3      ALA   1  21.641  26.218  10.799
    6    H    ALA   2           H        ALA   2  21.216  25.463  14.033
    7    HA   ALA   2           HA       ALA   2  20.483  27.944  15.421
    8    HB1  ALA   2           HB1      ALA   2  18.814  25.427  15.039
    9    HB2  ALA   2           HB2      ALA   2  18.729  26.624  13.744
   10    HB3  ALA   2           HB3      ALA   2  18.263  27.072  15.404
   11    H    ARG   3           H        ARG   3  21.979  24.917  15.946
   12    HA   ARG   3           HA       ARG   3  21.285  25.032  18.908
   13    HB2  ARG   3           HB2      ARG   3  21.002  22.961  17.655
   14    HB3  ARG   3           HB1      ARG   3  22.584  22.863  17.219
   15    HG2  ARG   3           HG2      ARG   3  23.202  22.789  19.717
   16    HG3  ARG   3           HG1      ARG   3  21.398  22.720  20.068
   17    HD2  ARG   3           HD2      ARG   3  21.514  20.584  18.711
   18    HD3  ARG   3           HD1      ARG   3  23.241  20.962  18.445
   19    HE   ARG   3           HE       ARG   3  22.762  21.204  21.174
   20   HH11  ARG   3          1HH1      ARG   3  23.235  19.530  22.707
   21   HH12  ARG   3          2HH1      ARG   3  23.569  17.923  22.248
   22   HH21  ARG   3          1HH2      ARG   3  22.763  18.498  18.890
   23   HH22  ARG   3          2HH2      ARG   3  23.347  17.332  20.070
   24    H    DVA   4           H        DVA   4  24.076  25.293  16.604
   25    HA   DVA   4           HA       DVA   4  25.522  26.583  18.778
   26    HB   DVA   4           HB       DVA   4  25.403  27.007  15.787
   27   HG11  DVA   4          1HG1      DVA   4  24.230  29.044  16.158
   28   HG12  DVA   4          2HG1      DVA   4  24.868  29.128  17.871
   29   HG13  DVA   4          3HG1      DVA   4  23.668  27.948  17.435
   30   HG21  DVA   4          1HG2      DVA   4  26.864  29.002  15.882
   31   HG22  DVA   4          2HG2      DVA   4  27.643  27.566  16.192
   32   HG23  DVA   4          3HG2      DVA   4  27.161  28.635  17.582
   33    HA   DPR   5           HA       DPR   5  28.437  23.278  17.544
   34    HB2  DPR   5           HB1      DPR   5  30.611  23.755  19.012
   35    HB3  DPR   5           HB2      DPR   5  28.966  23.726  19.841
   36    HG2  DPR   5           HG1      DPR   5  30.445  26.166  19.008
   37    HG3  DPR   5           HG2      DPR   5  29.608  25.815  20.604
   38    HD2  DPR   5           HD1      DPR   5  28.563  27.155  18.454
   39    HD3  DPR   5           HD2      DPR   5  27.554  26.310  19.730
   40    H    ARG   6           H        ARG   6  30.289  22.561  16.528
   41    HA   ARG   6           HA       ARG   6  32.389  24.203  15.537
   42    HB2  ARG   6           HB2      ARG   6  31.901  21.548  15.927
   43    HB3  ARG   6           HB1      ARG   6  31.877  21.627  14.093
   44    HG2  ARG   6           HG2      ARG   6  34.024  22.753  14.184
   45    HG3  ARG   6           HG1      ARG   6  34.068  22.585  15.974
   46    HD2  ARG   6           HD2      ARG   6  35.448  20.800  15.011
   47    HD3  ARG   6           HD1      ARG   6  33.997  20.257  15.820
   48    HE   ARG   6           HE       ARG   6  33.271  19.369  13.872
   49   HH11  ARG   6          1HH1      ARG   6  33.536  18.752  11.469
   50   HH12  ARG   6          2HH1      ARG   6  34.797  19.555  10.612
   51   HH21  ARG   6          1HH2      ARG   6  36.117  21.470  13.109
   52   HH22  ARG   6          2HH2      ARG   6  36.228  20.997  11.492
   53    H    DLE   7           H        DLE   7  29.288  24.093  14.048
   54    HA   DLE   7           HA       DLE   7  30.544  24.855  11.458
   55    HB2  DLE   7           HB1      DLE   7  28.587  26.416  11.235
   56    HB3  DLE   7           HB2      DLE   7  29.879  26.895  12.363
   57    HG   DLE   7           HG       DLE   7  28.532  26.631  14.241
   58   HD11  DLE   7          1HD1      DLE   7  27.952  28.589  12.660
   59   HD12  DLE   7          2HD1      DLE   7  26.580  28.093  13.625
   60   HD13  DLE   7          3HD1      DLE   7  26.749  27.591  11.931
   61   HD21  DLE   7          1HD2      DLE   7  27.455  24.417  13.780
   62   HD22  DLE   7          2HD2      DLE   7  26.336  25.183  12.674
   63   HD23  DLE   7          3HD2      DLE   7  26.415  25.589  14.361
   64    H    DTH   8           H        DTH   8  28.924  24.558   9.579
   65    HA   DTH   8           HA       DTH   8  28.258  21.729   9.734
   66    HB   DTH   8           HB       DTH   8  28.004  23.727   7.466
   67   HG21  DTH   8          1HG2      DTH   8  29.935  21.309   7.766
   68   HG22  DTH   8          2HG2      DTH   8  30.349  22.842   8.340
   69   HG23  DTH   8          3HG2      DTH   8  29.944  22.630   6.542
   70    HG1  DTH   8           HG1      DTH   8  27.928  21.956   6.202
   71    HA   PRO   9           HA       PRO   9  23.845  22.305   9.116
   72    HB2  PRO   9           HB2      PRO   9  22.908  20.129  10.375
   73    HB3  PRO   9           HB1      PRO   9  23.556  20.085   8.723
   74    HG2  PRO   9           HG2      PRO   9  24.881  19.210  11.356
   75    HG3  PRO   9           HG1      PRO   9  25.035  18.509   9.711
   76    HD2  PRO   9           HD2      PRO   9  26.638  20.366  11.074
   77    HD3  PRO   9           HD1      PRO   9  26.878  19.906   9.380
   78    H    GLU  10           H        GLU  10  25.641  22.543  12.078
   79    HA   GLU  10           HA       GLU  10  23.285  22.121  13.640
   80    HB2  GLU  10           HB2      GLU  10  26.042  22.895  14.453
   81    HB3  GLU  10           HB1      GLU  10  24.677  22.550  15.575
   82    HG2  GLU  10           HG2      GLU  10  24.227  20.408  14.630
   83    HG3  GLU  10           HG1      GLU  10  25.722  20.552  13.538