*HEADER    LIPID BINDING PROTEIN                   13-JUN-12   2LUG              
*TITLE     SOLUTION NMR STRUCTURE OF A S72-S107 PEPTIDE OF 18.5KDA MURINE MYELIN 
*TITLE    2 BASIC PROTEIN (MBP) IN ASSOCIATION WITH DODECYLPHOSPHOCHOLINE        
*TITLE    3 MICELLES                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MYELIN BASIC PROTEIN;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 ORGANISM_TAXID: 10090;                                               
*SOURCE   5 GENE: MBP;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET-SUMO VECTOR                           
*KEYWDS    INTRINSICALLY DISORDERED PROTEINS, DODECYLPHOSPHOCHOLINE MICELLES,    
*KEYWDS   2 MYELIN MEMBRANE, LIPID BINDING PROTEIN                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    M.A.M.AHMED, M.DE AVILA, E.POLVERINI, K.BESSONOV, V.V.BAMM, G.HARAUZ  
*REVDAT   2   10-OCT-12 2LUG    1                 
*REVDAT   1   19-SEP-12 2LUG    0                                                


REMARK TALOS+ Protein Backbone Torsion Angle Prediction Table
REMARK  Prediction Summary for Chemical Shift Input myshifts.tab
REMARK 
REMARK  PHI is the predicted torsion angle C(i-1) N(i)  CA(i) C(i)   (degrees).
REMARK  PSI is the predicted torsion angle N(i)   CA(i) C(i)  N(i+1) (degrees).
REMARK 
REMARK  DPHI and DPSI are the estimated standard deviations of the
REMARK  prediction errors in PHI and PSI (degrees).
REMARK 
REMARK  DIST is the TALOS+ database matching score.
REMARK 
REMARK  S2 is the Wishart RCI chemical shift order parameter,
REMARK  JACS, 127(43), 14970-14971.
REMARK 
REMARK  COUNT is the number of database triplets used to form
REMARK  the torsion angle predictions.
REMARK 
REMARK  CLASS is the classification of the prediction result:
REMARK    None: no torsion prediction was made.
REMARK 
REMARK    Good: majority consensus in database matches;
REMARK          prediction is likely to be good.
REMARK 
REMARK    Warn: no consensus in database matches, do not use prediction.
REMARK 
REMARK    Dyn:  RCI S2 value indicates that residue has dynamic conformation.
REMARK 
REMARK Reference:
REMARK  Y. Shen, F. Delaglio, G. Cornilescu, and A. Bax:
REMARK  TALOS plus: A hybrid method for predicting protein
REMARK  torsion angles from NMR chemical shifts.
REMARK  J. Biomol. NMR 44, 213-223 (2009).
REMARK 
REMARK  TALOS+ Version 3.70F1 Rev 2012.029.12.03 TALOS_INFO

DATA FIRST_RESID 1
DATA SEQUENCE SQHGRTQDENPVVHFFKNIVTPRTPPPSQGKGRGLS

VARS   RESID RESNAME PHI PSI DPHI DPSI DIST S2 COUNT CS_COUNT CLASS
FORMAT %4d %s %8.3f %8.3f %8.3f %8.3f %8.3f %5.3f %2d %2d %s

   1 S 9999.000 9999.000    0.000    0.000    0.000 0.000  0 10 None
   2 Q  -78.000  134.000   65.000   22.000   26.690 0.597 10 15 Dyn
   3 H  -56.000  128.000   50.000   28.000   33.830 0.617 10 13 Dyn
   4 G  112.315  158.653  108.752   33.729   36.539 0.591  9 13 Dyn
   5 R  -82.977  125.777   62.704   26.835   34.506 0.577 10 13 Dyn
   6 T  -59.000  134.000   75.000   41.000   31.490 0.605 10 15 Dyn
   7 Q  -71.000  125.000   70.000   20.000   28.910 0.663  8 15 Dyn
   8 D  -70.000  134.000   63.000   20.000   27.650 0.742  9 15 Dyn
   9 E  -78.000  129.000   63.000   26.000   28.210 0.763 10 15 Dyn
  10 N  -86.000  138.000   30.000   19.000   47.190 0.805 10 14 Dyn
  11 P  -57.000  -32.000   10.000    9.000   61.570 0.835 10 14 Good
  12 V  -62.000  -40.000    9.000   10.000   45.250 0.888 10 14 Good
  13 V  -63.000  -46.000    6.000    5.000   26.420 0.915 10 15 Good
  14 H  -60.000  -37.000    6.000    4.000   25.450 0.934 10 15 Good
  15 F  -64.000  -46.000    5.000    6.000   25.500 0.934 10 15 Good
  16 F  -64.000  -40.000    6.000   14.000   24.970 0.929 10 15 Good
  17 K  -59.000  -40.000    5.000   10.000   26.090 0.915 10 15 Good
  18 N  -69.000  -29.000    7.000    9.000   27.440 0.892 10 15 Good
  19 I  -68.000  -38.000    9.000    8.000   31.700 0.853 10 15 Good
  20 V  -95.000   -9.000   19.000   14.000   37.790 0.816 10 15 Good
  21 T -104.000  143.000   31.000   27.000   59.330 0.743 10 14 Dyn
  22 P  -67.000  150.000   12.000   11.000   66.580 0.710 10 14 Good
  23 R  -68.000  136.000   78.000   41.000   45.550 0.691 10 14 Dyn
  24 T -100.000  133.000   27.000   17.000   49.170 0.740 10 14 Dyn
  25 P  -71.000  146.000   11.000    8.000   73.590 0.728 10 13 Good
  26 P  -68.000  155.000    6.000   10.000   86.470 0.701 10 12 Good
  27 P  -70.000  152.000    8.000    9.000   67.190 0.629 10 13 Good
  28 S  -55.000  139.000   71.000   43.000   47.880 0.594 10 14 Dyn
  29 Q  -91.000  -16.000   27.000   28.000   36.920 0.570  8 14 Dyn
  30 G -152.000  154.000   91.000   28.000   34.840 0.561  8 14 Dyn
  31 K  -86.000  139.000   30.000   28.000   38.910 0.557 10 13 Dyn
  32 G    1.000  158.000   99.000   37.000   34.370 0.548  8 14 Dyn
  33 R  -90.000   -2.000   21.000   10.000   49.100 0.527  5 13 Dyn
  34 G   93.000   -2.000   13.000   21.000   67.930 0.479 10 14 Dyn
  35 L  -65.000  127.000   55.000   16.000   41.580 0.432 10 14 Dyn
  36 S 9999.000 9999.000    0.000    0.000    0.000 0.000  0 10 None

# talos2cns_phi_psi.tbl

! Talos derived phi restraint:
assign (resid  10 and name C)
       (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       1.0 -57  20 2

! Talos derived phi restraint:
assign (resid  11 and name C)
       (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       1.0 -62  18 2

! Talos derived phi restraint:
assign (resid  12 and name C)
       (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       1.0 -63  12 2

! Talos derived phi restraint:
assign (resid  13 and name C)
       (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       1.0 -60  12 2

! Talos derived phi restraint:
assign (resid  14 and name C)
       (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       1.0 -64  10 2

! Talos derived phi restraint:
assign (resid  15 and name C)
       (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       1.0 -64  12 2

! Talos derived phi restraint:
assign (resid  16 and name C)
       (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       1.0 -59  10 2

! Talos derived phi restraint:
assign (resid  17 and name C)
       (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       1.0 -69  14 2

! Talos derived phi restraint:
assign (resid  18 and name C)
       (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       1.0 -68  18 2

! Talos derived phi restraint:
assign (resid  19 and name C)
       (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       1.0 -95  38 2

! Talos derived phi restraint:
assign (resid  21 and name C)
       (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       1.0 -67  24 2

! Talos derived phi restraint:
assign (resid  24 and name C)
       (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       1.0 -71  22 2

! Talos derived phi restraint:
assign (resid  25 and name C)
       (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       1.0 -68  12 2

! Talos derived phi restraint:
assign (resid  26 and name C)
       (resid  27 and name N)
       (resid  27 and name CA)
       (resid  27 and name C)
       1.0 -70  16 2

! Talos derived psi restraint:
assign (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       (resid  12 and name N)
       1.0 -32  18 2

! Talos derived psi restraint:
assign (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       (resid  13 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       (resid  14 and name N)
       1.0 -46  10 2

! Talos derived psi restraint:
assign (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       (resid  15 and name N)
       1.0 -37   8 2

! Talos derived psi restraint:
assign (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       (resid  16 and name N)
       1.0 -46  12 2

! Talos derived psi restraint:
assign (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       (resid  17 and name N)
       1.0 -40  28 2

! Talos derived psi restraint:
assign (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       (resid  18 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  18 and name N)
       (resid  18 and name CA)
       (resid  18 and name C)
       (resid  19 and name N)
       1.0 -29  18 2

! Talos derived psi restraint:
assign (resid  19 and name N)
       (resid  19 and name CA)
       (resid  19 and name C)
       (resid  20 and name N)
       1.0 -38  16 2

! Talos derived psi restraint:
assign (resid  20 and name N)
       (resid  20 and name CA)
       (resid  20 and name C)
       (resid  21 and name N)
       1.0  -9  28 2

! Talos derived psi restraint:
assign (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       (resid  23 and name N)
       1.0 150  22 2

! Talos derived psi restraint:
assign (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       (resid  26 and name N)
       1.0 146  16 2

! Talos derived psi restraint:
assign (resid  26 and name N)
       (resid  26 and name CA)
       (resid  26 and name C)
       (resid  27 and name N)
       1.0 155  20 2

! Talos derived psi restraint:
assign (resid  27 and name N)
       (resid  27 and name CA)
       (resid  27 and name C)
       (resid  28 and name N)
       1.0 152  18 2



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           H        SER   1  -0.525  -0.851   0.000
    2    HA   SER   1           HA       SER   1   1.475   1.311   0.826
    3    HB2  SER   1           1HB      SER   1   2.341   2.153  -1.108
    4    HB3  SER   1           2HB      SER   1   2.303   0.377  -1.199
    5    HG   SER   1           HG       SER   1   0.422   0.589  -2.495
    6    H    GLN   2           H        GLN   2   1.419   3.660   0.414
    7    HA   GLN   2           HA       GLN   2  -1.410   4.617   0.469
    8    HB2  GLN   2           1HB      GLN   2   1.152   5.979   1.329
    9    HB3  GLN   2           2HB      GLN   2  -0.501   6.609   1.528
   10    HG2  GLN   2           1HG      GLN   2   0.638   4.168   3.150
   11    HG3  GLN   2           2HG      GLN   2   0.313   5.892   3.446
   12   HE21  GLN   2          2HE2      GLN   2  -0.922   2.735   3.539
   13   HE22  GLN   2          1HE2      GLN   2  -2.590   3.120   3.804
   14    H    HIS   3           H        HIS   3  -1.928   6.675  -0.473
   15    HA   HIS   3           HA       HIS   3  -0.514   6.990  -3.091
   16    HB2  HIS   3           1HB      HIS   3  -3.281   8.022  -2.343
   17    HB3  HIS   3           2HB      HIS   3  -2.569   7.877  -3.967
   18    HD2  HIS   3           HD2      HIS   3  -4.589   5.655  -1.389
   19    HE1  HIS   3           HE1      HIS   3  -3.607   3.362  -4.828
   20    HE2  HIS   3           HE2      HIS   3  -4.979   3.495  -2.590
   21    H    GLY   4           H        GLY   4   0.121   8.936  -3.876
   22    HA2  GLY   4           1HA      GLY   4  -0.338  11.472  -2.781
   23    HA3  GLY   4           2HA      GLY   4   1.055  10.806  -1.898
   24    H    ARG   5           H        ARG   5   2.179  12.662  -2.882
   25    HA   ARG   5           HA       ARG   5   2.991  12.115  -5.714
   26    HB2  ARG   5           1HB      ARG   5   3.271  14.600  -4.085
   27    HB3  ARG   5           2HB      ARG   5   3.948  14.334  -5.708
   28    HG2  ARG   5           1HG      ARG   5   1.672  14.026  -6.600
   29    HG3  ARG   5           2HG      ARG   5   1.003  14.316  -4.975
   30    HD2  ARG   5           1HD      ARG   5   1.873  16.562  -5.008
   31    HD3  ARG   5           2HD      ARG   5   2.575  16.276  -6.618
   32    HE   ARG   5           HE       ARG   5  -0.272  15.918  -6.876
   33   HH11  ARG   5          1HH1      ARG   5   1.918  18.502  -6.048
   34   HH12  ARG   5          2HH1      ARG   5   0.800  19.673  -6.718
   35   HH21  ARG   5          1HH2      ARG   5  -1.567  17.248  -7.640
   36   HH22  ARG   5          2HH2      ARG   5  -1.189  18.959  -7.625
   37    H    THR   6           H        THR   6   3.864  10.898  -2.990
   38    HA   THR   6           HA       THR   6   6.774  11.558  -3.160
   39    HB   THR   6           HB       THR   6   5.194  10.029  -1.048
   40    HG1  THR   6           HG1      THR   6   5.716  11.921   0.201
   41   HG21  THR   6          1HG2      THR   6   7.293  10.116   0.252
   42   HG22  THR   6          2HG2      THR   6   7.518   9.217  -1.268
   43   HG23  THR   6          3HG2      THR   6   8.114  10.887  -1.125
   44    H    GLN   7           H        GLN   7   8.328  10.129  -3.602
   45    HA   GLN   7           HA       GLN   7   7.610   7.937  -5.321
   46    HB2  GLN   7           1HB      GLN   7   9.713   9.219  -5.474
   47    HB3  GLN   7           2HB      GLN   7  10.220   8.535  -3.911
   48    HG2  GLN   7           1HG      GLN   7  10.221   6.131  -5.148
   49    HG3  GLN   7           2HG      GLN   7   9.609   7.222  -6.413
   50   HE21  GLN   7          2HE2      GLN   7  11.812   5.540  -6.793
   51   HE22  GLN   7          1HE2      GLN   7  13.236   6.511  -6.965
   52    H    ASP   8           H        ASP   8   7.453   5.815  -5.063
   53    HA   ASP   8           HA       ASP   8   6.748   4.620  -2.638
   54    HB2  ASP   8           1HB      ASP   8   6.562   3.516  -4.959
   55    HB3  ASP   8           2HB      ASP   8   8.335   3.423  -4.821
   56    H    GLU   9           H        GLU   9   7.749   4.679  -0.791
   57    HA   GLU   9           HA       GLU   9  10.660   4.809  -0.599
   58    HB2  GLU   9           1HB      GLU   9   9.121   5.907   0.990
   59    HB3  GLU   9           2HB      GLU   9   8.569   4.301   1.524
   60    HG2  GLU   9           1HG      GLU   9  10.868   3.806   2.410
   61    HG3  GLU   9           2HG      GLU   9  11.366   5.344   1.668
   62    H    ASN  10           H        ASN  10  12.092   3.277  -0.461
   63    HA   ASN  10           HA       ASN  10  11.279   0.469  -0.532
   64    HB2  ASN  10           1HB      ASN  10  14.171   1.604  -0.335
   65    HB3  ASN  10           2HB      ASN  10  13.427  -0.014  -0.330
   66   HD21  ASN  10          2HD2      ASN  10  15.266   1.410  -2.211
   67   HD22  ASN  10          1HD2      ASN  10  14.510   1.262  -3.763
   68    HA   PRO  11           HA       PRO  11  11.232  -0.512   3.647
   69    HB2  PRO  11           1HB      PRO  11  12.176  -2.863   3.444
   70    HB3  PRO  11           2HB      PRO  11  10.656  -2.445   3.030
   71    HG2  PRO  11           1HG      PRO  11  12.650  -2.900   1.414
   72    HG3  PRO  11           2HG      PRO  11  11.098  -3.349   1.191
   73    HD2  PRO  11           1HD      PRO  11  12.133  -1.396   0.028
   74    HD3  PRO  11           2HD      PRO  11  10.587  -1.408   0.548
   75    H    VAL  12           H        VAL  12  14.095  -0.971   1.811
   76    HA   VAL  12           HA       VAL  12  15.926  -1.085   4.082
   77    HB   VAL  12           HB       VAL  12  16.343  -0.300   1.168
   78   HG11  VAL  12          1HG1      VAL  12  18.752  -0.566   1.660
   79   HG12  VAL  12          2HG1      VAL  12  18.038   0.735   2.641
   80   HG13  VAL  12          3HG1      VAL  12  18.370  -0.852   3.374
   81   HG21  VAL  12          3HG2      VAL  12  15.676  -2.612   1.445
   82   HG22  VAL  12          1HG2      VAL  12  17.386  -2.501   0.968
   83   HG23  VAL  12          2HG2      VAL  12  16.955  -2.856   2.658
   84    H    VAL  13           H        VAL  13  14.749   1.557   2.017
   85    HA   VAL  13           HA       VAL  13  16.192   3.640   3.431
   86    HB   VAL  13           HB       VAL  13  13.601   3.705   1.830
   87   HG11  VAL  13          1HG1      VAL  13  13.940   6.153   1.773
   88   HG12  VAL  13          2HG1      VAL  13  13.717   5.576   3.442
   89   HG13  VAL  13          3HG1      VAL  13  15.346   5.984   2.851
   90   HG21  VAL  13          3HG2      VAL  13  15.527   3.059   0.509
   91   HG22  VAL  13          1HG2      VAL  13  14.986   4.698   0.079
   92   HG23  VAL  13          2HG2      VAL  13  16.430   4.476   1.096
   93    H    HIS  14           H        HIS  14  12.996   2.184   3.917
   94    HA   HIS  14           HA       HIS  14  12.192   3.861   6.077
   95    HB2  HIS  14           1HB      HIS  14  10.650   2.261   4.974
   96    HB3  HIS  14           2HB      HIS  14  11.592   0.901   5.630
   97    HD2  HIS  14           HD2      HIS  14  10.699   0.024   8.161
   98    HE1  HIS  14           HE1      HIS  14   8.297   3.443   8.929
   99    HE2  HIS  14           HE2      HIS  14   9.048   1.055   9.733
  100    H    PHE  15           H        PHE  15  14.088   0.847   6.086
  101    HA   PHE  15           HA       PHE  15  14.422   0.747   8.942
  102    HB2  PHE  15           1HB      PHE  15  16.158  -0.360   6.691
  103    HB3  PHE  15           2HB      PHE  15  16.333  -0.769   8.413
  104    HD1  PHE  15           HD1      PHE  15  13.061  -0.535   8.485
  105    HD2  PHE  15           HD2      PHE  15  16.010  -2.847   6.432
  106    HE1  PHE  15           HE1      PHE  15  11.430  -2.373   8.217
  107    HE2  PHE  15           HE2      PHE  15  14.381  -4.686   6.160
  108    HZ   PHE  15           HZ       PHE  15  12.091  -4.449   7.054
  109    H    PHE  16           H        PHE  16  16.409   2.192   6.365
  110    HA   PHE  16           HA       PHE  16  18.492   3.211   8.001
  111    HB2  PHE  16           1HB      PHE  16  18.630   3.331   5.566
  112    HB3  PHE  16           2HB      PHE  16  17.207   4.395   5.503
  113    HD1  PHE  16           HD1      PHE  16  20.721   4.168   6.652
  114    HD2  PHE  16           HD2      PHE  16  17.407   6.699   5.721
  115    HE1  PHE  16           HE1      PHE  16  22.196   6.147   6.785
  116    HE2  PHE  16           HE2      PHE  16  18.880   8.680   5.851
  117    HZ   PHE  16           HZ       PHE  16  21.276   8.403   6.385
  118    H    LYS  17           H        LYS  17  15.364   4.708   7.159
  119    HA   LYS  17           HA       LYS  17  15.843   7.105   8.686
  120    HB2  LYS  17           1HB      LYS  17  13.329   5.743   7.719
  121    HB3  LYS  17           2HB      LYS  17  13.335   7.298   8.586
  122    HG2  LYS  17           1HG      LYS  17  14.734   8.274   6.794
  123    HG3  LYS  17           2HG      LYS  17  14.675   6.725   5.920
  124    HD2  LYS  17           1HD      LYS  17  12.226   6.904   5.759
  125    HD3  LYS  17           2HD      LYS  17  12.279   8.449   6.640
  126    HE2  LYS  17           1HE      LYS  17  13.645   9.429   4.851
  127    HE3  LYS  17           2HE      LYS  17  13.606   7.884   3.970
  128    HZ1  LYS  17           3HZ      LYS  17  11.258   9.552   4.611
  129    HZ2  LYS  17           1HZ      LYS  17  11.971   9.429   3.129
  130    HZ3  LYS  17           2HZ      LYS  17  11.221   8.119   3.795
  131    H    ASN  18           H        ASN  18  14.508   3.951   9.512
  132    HA   ASN  18           HA       ASN  18  13.583   4.611  12.141
  133    HB2  ASN  18           1HB      ASN  18  14.608   1.854  11.125
  134    HB3  ASN  18           2HB      ASN  18  14.077   2.487  12.702
  135   HD21  ASN  18          2HD2      ASN  18  12.961   0.449  10.831
  136   HD22  ASN  18          1HD2      ASN  18  11.315   0.928  10.581
  137    H    ILE  19           H        ILE  19  16.802   3.974  10.873
  138    HA   ILE  19           HA       ILE  19  17.997   3.739  13.552
  139    HB   ILE  19           HB       ILE  19  19.205   4.024  10.764
  140   HG12  ILE  19          1HG1      ILE  19  19.185   1.654  12.608
  141   HG13  ILE  19          2HG1      ILE  19  17.977   1.937  11.333
  142   HG21  ILE  19          1HG2      ILE  19  21.356   3.464  11.845
  143   HG22  ILE  19          2HG2      ILE  19  20.698   4.989  12.482
  144   HG23  ILE  19          3HG2      ILE  19  20.564   3.494  13.438
  145   HD11  ILE  19          3HD1      ILE  19  20.968   1.612  10.908
  146   HD12  ILE  19          1HD1      ILE  19  19.729   0.383  10.569
  147   HD13  ILE  19          2HD1      ILE  19  19.760   1.896   9.633
  148    H    VAL  20           H        VAL  20  17.726   6.273  11.094
  149    HA   VAL  20           HA       VAL  20  19.552   7.988  12.742
  150    HB   VAL  20           HB       VAL  20  19.708   9.400  10.768
  151   HG11  VAL  20          1HG1      VAL  20  20.731   7.816   9.169
  152   HG12  VAL  20          2HG1      VAL  20  21.187   7.420  10.843
  153   HG13  VAL  20          3HG1      VAL  20  19.943   6.459  10.007
  154   HG21  VAL  20          3HG2      VAL  20  17.415   9.232  10.002
  155   HG22  VAL  20          1HG2      VAL  20  18.551   8.864   8.684
  156   HG23  VAL  20          2HG2      VAL  20  17.685   7.544   9.505
  157    H    THR  21           H        THR  21  16.242   7.528  12.070
  158    HA   THR  21           HA       THR  21  15.683  10.179  13.357
  159    HB   THR  21           HB       THR  21  14.041   8.841  11.165
  160    HG1  THR  21           HG1      THR  21  14.709  10.725   9.974
  161   HG21  THR  21          1HG2      THR  21  12.697  10.911  11.263
  162   HG22  THR  21          2HG2      THR  21  12.675  10.059  12.825
  163   HG23  THR  21          3HG2      THR  21  13.698  11.498  12.611
  164    HA   PRO  22           HA       PRO  22  13.790   7.552  16.219
  165    HB2  PRO  22           1HB      PRO  22  13.105   9.420  17.770
  166    HB3  PRO  22           2HB      PRO  22  14.639   8.890  17.627
  167    HG2  PRO  22           1HG      PRO  22  13.648  11.093  16.651
  168    HG3  PRO  22           2HG      PRO  22  15.122  10.907  17.324
  169    HD2  PRO  22           1HD      PRO  22  14.909  10.958  14.859
  170    HD3  PRO  22           2HD      PRO  22  15.958   9.947  15.594
  171    H    ARG  23           H        ARG  23  12.323  10.235  14.704
  172    HA   ARG  23           HA       ARG  23   9.596   9.518  15.489
  173    HB2  ARG  23           1HB      ARG  23  10.596  11.372  13.375
  174    HB3  ARG  23           2HB      ARG  23   8.895  11.123  13.832
  175    HG2  ARG  23           1HG      ARG  23   9.329  11.976  16.064
  176    HG3  ARG  23           2HG      ARG  23  11.065  12.127  15.698
  177    HD2  ARG  23           1HD      ARG  23  10.537  13.796  14.006
  178    HD3  ARG  23           2HD      ARG  23   8.818  13.672  14.447
  179    HE   ARG  23           HE       ARG  23  10.206  14.488  16.827
  180   HH11  ARG  23          1HH1      ARG  23   9.703  15.766  13.621
  181   HH12  ARG  23          2HH1      ARG  23   9.794  17.399  14.251
  182   HH21  ARG  23          1HH2      ARG  23  10.321  16.352  17.562
  183   HH22  ARG  23          2HH2      ARG  23  10.148  17.735  16.498
  184    H    THR  24           H        THR  24   8.066   8.430  14.427
  185    HA   THR  24           HA       THR  24   8.883   6.245  12.800
  186    HB   THR  24           HB       THR  24   6.112   7.502  12.976
  187    HG1  THR  24           HG1      THR  24   5.836   5.880  14.621
  188   HG21  THR  24          1HG2      THR  24   5.335   5.238  12.367
  189   HG22  THR  24          2HG2      THR  24   6.382   5.919  11.098
  190   HG23  THR  24          3HG2      THR  24   7.024   4.697  12.220
  191    HA   PRO  25           HA       PRO  25   9.525   8.247   8.992
  192    HB2  PRO  25           1HB      PRO  25   9.712   5.620   8.293
  193    HB3  PRO  25           2HB      PRO  25  10.757   6.851   8.075
  194    HG2  PRO  25           1HG      PRO  25  10.558   5.322  10.175
  195    HG3  PRO  25           2HG      PRO  25  11.938   5.869   9.500
  196    HD2  PRO  25           1HD      PRO  25   9.317   5.240  11.361
  197    HD3  PRO  25           2HD      PRO  25  10.656   6.170  11.280
  198    HA   PRO  26           HA       PRO  26   5.709   8.064   7.074
  199    HB2  PRO  26           1HB      PRO  26   6.383   8.568   4.687
  200    HB3  PRO  26           2HB      PRO  26   6.379   9.677   5.882
  201    HG2  PRO  26           1HG      PRO  26   8.461   8.499   4.847
  202    HG3  PRO  26           2HG      PRO  26   8.351  10.066   5.288
  203    HD2  PRO  26           1HD      PRO  26   9.511   8.406   6.727
  204    HD3  PRO  26           2HD      PRO  26   8.601   9.608   7.352
  205    HA   PRO  27           HA       PRO  27   5.143   4.161   5.448
  206    HB2  PRO  27           1HB      PRO  27   2.918   4.463   4.311
  207    HB3  PRO  27           2HB      PRO  27   3.100   4.476   5.930
  208    HG2  PRO  27           1HG      PRO  27   2.696   6.535   4.384
  209    HG3  PRO  27           2HG      PRO  27   2.043   6.285   5.857
  210    HD2  PRO  27           1HD      PRO  27   3.979   7.806   5.674
  211    HD3  PRO  27           2HD      PRO  27   3.843   6.789   6.942
  212    H    SER  28           H        SER  28   5.119   2.815   3.570
  213    HA   SER  28           HA       SER  28   6.540   3.940   1.296
  214    HB2  SER  28           1HB      SER  28   5.185   1.342   1.687
  215    HB3  SER  28           2HB      SER  28   6.145   1.828   0.271
  216    HG   SER  28           HG       SER  28   7.921   1.689   1.413
  217    H    GLN  29           H        GLN  29   5.826   4.487  -0.718
  218    HA   GLN  29           HA       GLN  29   2.878   4.947  -0.962
  219    HB2  GLN  29           1HB      GLN  29   5.137   6.205  -2.526
  220    HB3  GLN  29           2HB      GLN  29   3.419   6.668  -2.542
  221    HG2  GLN  29           1HG      GLN  29   5.342   7.220  -0.115
  222    HG3  GLN  29           2HG      GLN  29   4.650   8.153  -1.463
  223   HE21  GLN  29          2HE2      GLN  29   4.194   6.932   1.711
  224   HE22  GLN  29          1HE2      GLN  29   2.556   7.448   1.932
  225    H    GLY  30           H        GLY  30   1.914   4.790  -3.074
  226    HA2  GLY  30           1HA      GLY  30   2.375   2.281  -4.319
  227    HA3  GLY  30           2HA      GLY  30   1.426   3.620  -5.006
  228    H    LYS  31           H        LYS  31   3.311   1.683  -6.265
  229    HA   LYS  31           HA       LYS  31   5.736   3.059  -6.997
  230    HB2  LYS  31           1HB      LYS  31   5.361   0.631  -7.225
  231    HB3  LYS  31           2HB      LYS  31   4.172   0.960  -8.508
  232    HG2  LYS  31           1HG      LYS  31   5.909   1.926  -9.919
  233    HG3  LYS  31           2HG      LYS  31   7.112   1.714  -8.624
  234    HD2  LYS  31           1HD      LYS  31   6.833  -0.716  -8.735
  235    HD3  LYS  31           2HD      LYS  31   5.583  -0.529  -9.987
  236    HE2  LYS  31           1HE      LYS  31   7.222   0.491 -11.493
  237    HE3  LYS  31           2HE      LYS  31   8.476   0.350 -10.239
  238    HZ1  LYS  31           3HZ      LYS  31   7.065  -1.905 -11.514
  239    HZ2  LYS  31           1HZ      LYS  31   8.612  -1.436 -11.838
  240    HZ3  LYS  31           2HZ      LYS  31   8.227  -2.037 -10.351
  241    H    GLY  32           H        GLY  32   6.028   4.785  -8.138
  242    HA2  GLY  32           1HA      GLY  32   5.877   5.935 -10.245
  243    HA3  GLY  32           2HA      GLY  32   4.249   5.257 -10.479
  244    H    ARG  33           H        ARG  33   4.234   6.060  -7.340
  245    HA   ARG  33           HA       ARG  33   2.597   8.413  -7.721
  246    HB2  ARG  33           1HB      ARG  33   3.769   7.228  -5.246
  247    HB3  ARG  33           2HB      ARG  33   2.654   8.614  -5.301
  248    HG2  ARG  33           1HG      ARG  33   1.979   5.898  -6.456
  249    HG3  ARG  33           2HG      ARG  33   1.616   6.354  -4.773
  250    HD2  ARG  33           1HD      ARG  33   0.256   8.198  -5.592
  251    HD3  ARG  33           2HD      ARG  33   0.583   7.676  -7.261
  252    HE   ARG  33           HE       ARG  33  -1.333   6.300  -5.426
  253   HH11  ARG  33          1HH1      ARG  33   0.389   6.224  -8.457
  254   HH12  ARG  33          2HH1      ARG  33  -0.708   4.995  -9.056
  255   HH21  ARG  33          1HH2      ARG  33  -2.603   4.900  -6.101
  256   HH22  ARG  33          2HH2      ARG  33  -2.415   4.240  -7.714
  257    H    GLY  34           H        GLY  34   6.000   7.906  -7.078
  258    HA2  GLY  34           1HA      GLY  34   6.622  10.560  -6.208
  259    HA3  GLY  34           2HA      GLY  34   7.754   9.406  -6.950
  260    H    LEU  35           H        LEU  35   6.343   9.063  -9.415
  261    HA   LEU  35           HA       LEU  35   7.237  11.498 -10.795
  262    HB2  LEU  35           1HB      LEU  35   5.950   8.982 -11.624
  263    HB3  LEU  35           2HB      LEU  35   6.475  10.149 -12.860
  264    HG   LEU  35           HG       LEU  35   8.257   8.635 -10.912
  265   HD11  LEU  35          1HD1      LEU  35   9.158   7.562 -12.994
  266   HD12  LEU  35          2HD1      LEU  35   7.417   7.249 -12.807
  267   HD13  LEU  35          3HD1      LEU  35   7.981   8.483 -13.959
  268   HD21  LEU  35          3HD2      LEU  35   9.103  10.874 -11.301
  269   HD22  LEU  35          1HD2      LEU  35  10.142   9.682 -12.119
  270   HD23  LEU  35          2HD2      LEU  35   8.979  10.646 -13.062
  271    H    SER  36           H        SER  36   4.193  10.011  -9.875
  272    HA   SER  36           HA       SER  36   2.355  11.523 -11.475
  273    HB2  SER  36           1HB      SER  36   1.704   9.631 -10.294
  274    HB3  SER  36           2HB      SER  36   2.038  10.435  -8.744
  275    HG   SER  36           HG       SER  36  -0.167  10.558  -9.352
  Start of MODEL    2
    1    H1   SER   1           H        SER   1   9.057  12.716  14.289
    2    HA   SER   1           HA       SER   1   9.628  12.000  11.371
    3    HB2  SER   1           1HB      SER   1  11.571  11.350  12.434
    4    HB3  SER   1           2HB      SER   1  10.732  10.031  13.280
    5    HG   SER   1           HG       SER   1  11.814   9.338  11.378
    6    H    GLN   2           H        GLN   2   7.778  11.472  10.344
    7    HA   GLN   2           HA       GLN   2   6.114   9.242  11.419
    8    HB2  GLN   2           1HB      GLN   2   5.601  11.191   9.164
    9    HB3  GLN   2           2HB      GLN   2   4.460   9.976   9.787
   10    HG2  GLN   2           1HG      GLN   2   5.318  12.543  11.389
   11    HG3  GLN   2           2HG      GLN   2   3.905  12.001  10.453
   12   HE21  GLN   2          2HE2      GLN   2   5.392  12.120  13.499
   13   HE22  GLN   2          1HE2      GLN   2   4.358  11.006  14.333
   14    H    HIS   3           H        HIS   3   5.238   7.661   9.953
   15    HA   HIS   3           HA       HIS   3   7.403   6.353   8.565
   16    HB2  HIS   3           1HB      HIS   3   5.468   5.176   9.716
   17    HB3  HIS   3           2HB      HIS   3   4.433   5.705   8.368
   18    HD2  HIS   3           HD2      HIS   3   4.381   3.871   6.233
   19    HE1  HIS   3           HE1      HIS   3   7.893   1.787   7.405
   20    HE2  HIS   3           HE2      HIS   3   5.867   1.921   5.736
   21    H    GLY   4           H        GLY   4   7.938   6.152   6.501
   22    HA2  GLY   4           1HA      GLY   4   6.942   8.245   4.717
   23    HA3  GLY   4           2HA      GLY   4   8.254   7.091   4.384
   24    H    ARG   5           H        ARG   5   7.210   7.033   2.234
   25    HA   ARG   5           HA       ARG   5   4.657   5.487   2.159
   26    HB2  ARG   5           1HB      ARG   5   4.828   7.585   0.909
   27    HB3  ARG   5           2HB      ARG   5   6.068   6.815  -0.107
   28    HG2  ARG   5           1HG      ARG   5   4.433   5.099  -0.787
   29    HG3  ARG   5           2HG      ARG   5   3.193   5.898   0.211
   30    HD2  ARG   5           1HD      ARG   5   3.442   7.902  -1.183
   31    HD3  ARG   5           2HD      ARG   5   4.563   6.993  -2.223
   32    HE   ARG   5           HE       ARG   5   1.853   5.772  -2.062
   33   HH11  ARG   5          1HH1      ARG   5   3.877   8.044  -3.766
   34   HH12  ARG   5          2HH1      ARG   5   2.877   7.871  -5.196
   35   HH21  ARG   5          1HH2      ARG   5   0.694   5.570  -3.688
   36   HH22  ARG   5          2HH2      ARG   5   1.062   6.462  -5.152
   37    H    THR   6           H        THR   6   4.529   3.449   1.631
   38    HA   THR   6           HA       THR   6   7.042   1.964   1.367
   39    HB   THR   6           HB       THR   6   5.630  -0.036   1.441
   40    HG1  THR   6           HG1      THR   6   3.322   0.268   1.557
   41   HG21  THR   6          1HG2      THR   6   4.528   0.328   3.622
   42   HG22  THR   6          2HG2      THR   6   6.135   1.094   3.581
   43   HG23  THR   6          3HG2      THR   6   4.671   2.088   3.400
   44    H    GLN   7           H        GLN   7   4.790   3.342  -0.797
   45    HA   GLN   7           HA       GLN   7   5.383   1.436  -2.972
   46    HB2  GLN   7           1HB      GLN   7   3.886   4.065  -2.933
   47    HB3  GLN   7           2HB      GLN   7   4.006   2.959  -4.323
   48    HG2  GLN   7           1HG      GLN   7   2.347   2.359  -1.727
   49    HG3  GLN   7           2HG      GLN   7   2.040   2.751  -3.434
   50   HE21  GLN   7          2HE2      GLN   7   2.182   0.295  -1.216
   51   HE22  GLN   7          1HE2      GLN   7   2.468  -1.043  -2.279
   52    H    ASP   8           H        ASP   8   6.341   4.666  -1.940
   53    HA   ASP   8           HA       ASP   8   7.983   4.973  -4.408
   54    HB2  ASP   8           1HB      ASP   8   7.250   6.958  -2.175
   55    HB3  ASP   8           2HB      ASP   8   8.483   7.124  -3.449
   56    H    GLU   9           H        GLU   9   8.269   4.416  -0.962
   57    HA   GLU   9           HA       GLU   9  11.253   4.607  -1.227
   58    HB2  GLU   9           1HB      GLU   9   9.573   4.714   1.279
   59    HB3  GLU   9           2HB      GLU   9  11.326   4.992   1.134
   60    HG2  GLU   9           1HG      GLU   9  10.934   7.136  -0.043
   61    HG3  GLU   9           2HG      GLU   9   9.232   6.642  -0.206
   62    H    ASN  10           H        ASN  10  12.514   2.943  -0.837
   63    HA   ASN  10           HA       ASN  10  11.376   0.289  -0.606
   64    HB2  ASN  10           1HB      ASN  10  14.373   1.088  -0.334
   65    HB3  ASN  10           2HB      ASN  10  13.438  -0.424  -0.211
   66   HD21  ASN  10          2HD2      ASN  10  15.531   0.522  -2.103
   67   HD22  ASN  10          1HD2      ASN  10  14.841   0.310  -3.679
   68    HA   PRO  11           HA       PRO  11  11.066  -0.311   3.656
   69    HB2  PRO  11           1HB      PRO  11  11.757  -2.751   3.686
   70    HB3  PRO  11           2HB      PRO  11  10.305  -2.220   3.171
   71    HG2  PRO  11           1HG      PRO  11  12.294  -3.019   1.690
   72    HG3  PRO  11           2HG      PRO  11  10.712  -3.327   1.439
   73    HD2  PRO  11           1HD      PRO  11  11.948  -1.588   0.151
   74    HD3  PRO  11           2HD      PRO  11  10.397  -1.398   0.623
   75    H    VAL  12           H        VAL  12  13.908  -1.113   1.933
   76    HA   VAL  12           HA       VAL  12  15.691  -1.207   4.243
   77    HB   VAL  12           HB       VAL  12  16.202  -0.599   1.302
   78   HG11  VAL  12          1HG1      VAL  12  18.582  -0.973   1.856
   79   HG12  VAL  12          2HG1      VAL  12  17.926   0.415   2.756
   80   HG13  VAL  12          3HG1      VAL  12  18.156  -1.149   3.574
   81   HG21  VAL  12          3HG2      VAL  12  15.400  -2.854   1.681
   82   HG22  VAL  12          1HG2      VAL  12  17.122  -2.861   1.235
   83   HG23  VAL  12          2HG2      VAL  12  16.642  -3.106   2.932
   84    H    VAL  13           H        VAL  13  14.634   1.382   2.061
   85    HA   VAL  13           HA       VAL  13  16.192   3.471   3.319
   86    HB   VAL  13           HB       VAL  13  13.526   3.552   1.846
   87   HG11  VAL  13          1HG1      VAL  13  13.931   5.984   1.669
   88   HG12  VAL  13          2HG1      VAL  13  13.773   5.484   3.369
   89   HG13  VAL  13          3HG1      VAL  13  15.382   5.818   2.685
   90   HG21  VAL  13          3HG2      VAL  13  15.367   2.794   0.465
   91   HG22  VAL  13          1HG2      VAL  13  14.852   4.430  -0.010
   92   HG23  VAL  13          2HG2      VAL  13  16.337   4.206   0.948
   93    H    HIS  14           H        HIS  14  12.935   2.222   3.994
   94    HA   HIS  14           HA       HIS  14  12.409   4.029   6.162
   95    HB2  HIS  14           1HB      HIS  14  11.365   1.242   5.510
   96    HB3  HIS  14           2HB      HIS  14  10.785   2.204   6.891
   97    HD2  HIS  14           HD2      HIS  14  10.889   5.027   4.566
   98    HE1  HIS  14           HE1      HIS  14   7.474   2.820   3.335
   99    HE2  HIS  14           HE2      HIS  14   8.778   5.100   3.225
  100    H    PHE  15           H        PHE  15  13.969   0.841   6.055
  101    HA   PHE  15           HA       PHE  15  14.427   0.570   8.860
  102    HB2  PHE  15           1HB      PHE  15  14.830  -1.285   7.302
  103    HB3  PHE  15           2HB      PHE  15  16.121  -0.362   6.500
  104    HD1  PHE  15           HD1      PHE  15  15.146  -1.743   9.821
  105    HD2  PHE  15           HD2      PHE  15  18.294  -0.620   7.159
  106    HE1  PHE  15           HE1      PHE  15  16.805  -2.711  11.377
  107    HE2  PHE  15           HE2      PHE  15  19.955  -1.589   8.713
  108    HZ   PHE  15           HZ       PHE  15  19.210  -2.633  10.823
  109    H    PHE  16           H        PHE  16  16.366   2.184   6.346
  110    HA   PHE  16           HA       PHE  16  18.483   2.993   8.122
  111    HB2  PHE  16           1HB      PHE  16  17.493   4.095   5.461
  112    HB3  PHE  16           2HB      PHE  16  18.924   4.721   6.311
  113    HD1  PHE  16           HD1      PHE  16  19.326   1.612   7.281
  114    HD2  PHE  16           HD2      PHE  16  19.130   3.763   3.595
  115    HE1  PHE  16           HE1      PHE  16  20.726  -0.116   6.200
  116    HE2  PHE  16           HE2      PHE  16  20.527   2.036   2.510
  117    HZ   PHE  16           HZ       PHE  16  21.327   0.097   3.815
  118    H    LYS  17           H        LYS  17  15.398   4.477   7.231
  119    HA   LYS  17           HA       LYS  17  15.916   6.952   8.664
  120    HB2  LYS  17           1HB      LYS  17  13.425   5.596   7.645
  121    HB3  LYS  17           2HB      LYS  17  13.391   7.133   8.540
  122    HG2  LYS  17           1HG      LYS  17  14.859   8.137   6.800
  123    HG3  LYS  17           2HG      LYS  17  14.772   6.613   5.886
  124    HD2  LYS  17           1HD      LYS  17  12.407   6.853   5.556
  125    HD3  LYS  17           2HD      LYS  17  12.332   8.226   6.686
  126    HE2  LYS  17           1HE      LYS  17  13.804   9.517   5.155
  127    HE3  LYS  17           2HE      LYS  17  13.753   8.160   4.007
  128    HZ1  LYS  17           3HZ      LYS  17  11.423   9.720   4.919
  129    HZ2  LYS  17           1HZ      LYS  17  12.153   9.859   3.446
  130    HZ3  LYS  17           2HZ      LYS  17  11.375   8.462   3.854
  131    H    ASN  18           H        ASN  18  14.690   3.797   9.551
  132    HA   ASN  18           HA       ASN  18  13.717   4.659  12.170
  133    HB2  ASN  18           1HB      ASN  18  14.247   1.759  11.174
  134    HB3  ASN  18           2HB      ASN  18  13.798   2.500  12.729
  135   HD21  ASN  18          2HD2      ASN  18  12.409   0.678  10.774
  136   HD22  ASN  18          1HD2      ASN  18  10.871   1.429  10.502
  137    H    ILE  19           H        ILE  19  16.791   4.260  10.846
  138    HA   ILE  19           HA       ILE  19  18.051   3.676  13.483
  139    HB   ILE  19           HB       ILE  19  19.209   4.169  10.703
  140   HG12  ILE  19          1HG1      ILE  19  19.231   1.675  12.378
  141   HG13  ILE  19          2HG1      ILE  19  18.023   2.030  11.122
  142   HG21  ILE  19          1HG2      ILE  19  21.384   3.566  11.713
  143   HG22  ILE  19          2HG2      ILE  19  20.713   5.032  12.464
  144   HG23  ILE  19          3HG2      ILE  19  20.613   3.472  13.315
  145   HD11  ILE  19          3HD1      ILE  19  21.019   1.773  10.685
  146   HD12  ILE  19          1HD1      ILE  19  19.796   0.554  10.259
  147   HD13  ILE  19          2HD1      ILE  19  19.811   2.129   9.429
  148    H    VAL  20           H        VAL  20  17.763   6.337  11.161
  149    HA   VAL  20           HA       VAL  20  19.487   8.039  12.897
  150    HB   VAL  20           HB       VAL  20  19.256   9.700  11.100
  151   HG11  VAL  20          1HG1      VAL  20  20.372   8.449   9.283
  152   HG12  VAL  20          2HG1      VAL  20  21.009   7.970  10.874
  153   HG13  VAL  20          3HG1      VAL  20  19.857   6.914  10.023
  154   HG21  VAL  20          3HG2      VAL  20  16.960   9.257  10.466
  155   HG22  VAL  20          1HG2      VAL  20  18.032   9.193   9.048
  156   HG23  VAL  20          2HG2      VAL  20  17.432   7.685   9.779
  157    H    THR  21           H        THR  21  16.125   7.495  12.259
  158    HA   THR  21           HA       THR  21  15.600   9.538  14.388
  159    HB   THR  21           HB       THR  21  13.399   9.983  13.377
  160    HG1  THR  21           HG1      THR  21  14.336   8.314  11.251
  161   HG21  THR  21          1HG2      THR  21  14.153  11.239  11.389
  162   HG22  THR  21          2HG2      THR  21  15.300  11.426  12.737
  163   HG23  THR  21          3HG2      THR  21  15.680  10.327  11.391
  164    HA   PRO  22           HA       PRO  22  13.529   6.651  16.759
  165    HB2  PRO  22           1HB      PRO  22  11.373   8.325  16.596
  166    HB3  PRO  22           2HB      PRO  22  12.141   7.711  17.895
  167    HG2  PRO  22           1HG      PRO  22  12.796   9.848  16.555
  168    HG3  PRO  22           2HG      PRO  22  12.855   9.662  18.174
  169    HD2  PRO  22           1HD      PRO  22  13.266   9.961  14.842
  170    HD3  PRO  22           2HD      PRO  22  14.076   9.857  16.255
  171    H    ARG  23           H        ARG  23  12.224   4.834  16.685
  172    HA   ARG  23           HA       ARG  23  11.665   3.809  14.153
  173    HB2  ARG  23           1HB      ARG  23  10.340   3.177  16.749
  174    HB3  ARG  23           2HB      ARG  23  10.074   2.288  15.231
  175    HG2  ARG  23           1HG      ARG  23  12.486   1.744  15.153
  176    HG3  ARG  23           2HG      ARG  23  12.708   2.583  16.707
  177    HD2  ARG  23           1HD      ARG  23  11.227   0.985  17.769
  178    HD3  ARG  23           2HD      ARG  23  11.036   0.139  16.215
  179    HE   ARG  23           HE       ARG  23  13.839   0.051  16.842
  180   HH11  ARG  23          1HH1      ARG  23  10.881  -1.095  18.292
  181   HH12  ARG  23          2HH1      ARG  23  11.741  -2.457  18.981
  182   HH21  ARG  23          1HH2      ARG  23  14.838  -1.499  17.632
  183   HH22  ARG  23          2HH2      ARG  23  13.998  -2.688  18.608
  184    H    THR  24           H        THR  24  10.270   4.100  12.608
  185    HA   THR  24           HA       THR  24   8.022   5.971  13.008
  186    HB   THR  24           HB       THR  24   7.628   5.664  10.596
  187    HG1  THR  24           HG1      THR  24   9.858   3.880  10.639
  188   HG21  THR  24          1HG2      THR  24   9.775   6.555   9.758
  189   HG22  THR  24          2HG2      THR  24   9.335   7.303  11.312
  190   HG23  THR  24          3HG2      THR  24  10.577   6.030  11.258
  191    HA   PRO  25           HA       PRO  25   4.938   3.107  13.630
  192    HB2  PRO  25           1HB      PRO  25   3.007   4.305  12.550
  193    HB3  PRO  25           2HB      PRO  25   3.735   4.835  13.908
  194    HG2  PRO  25           1HG      PRO  25   3.992   5.819  11.509
  195    HG3  PRO  25           2HG      PRO  25   3.890   6.666  12.900
  196    HD2  PRO  25           1HD      PRO  25   6.123   6.319  11.906
  197    HD3  PRO  25           2HD      PRO  25   5.919   6.246  13.523
  198    HA   PRO  26           HA       PRO  26   4.108   0.455  10.331
  199    HB2  PRO  26           1HB      PRO  26   1.508   0.463  11.141
  200    HB3  PRO  26           2HB      PRO  26   2.564  -0.768  10.982
  201    HG2  PRO  26           1HG      PRO  26   2.243   0.757  13.070
  202    HG3  PRO  26           2HG      PRO  26   2.512  -0.851  13.075
  203    HD2  PRO  26           1HD      PRO  26   2.670   2.394  13.310
  204    HD3  PRO  26           2HD      PRO  26   3.552   1.038  13.522
  205    HA   PRO  27           HA       PRO  27   2.650   2.611   6.892
  206    HB2  PRO  27           1HB      PRO  27   1.472   0.236   6.231
  207    HB3  PRO  27           2HB      PRO  27   2.481   1.191   5.378
  208    HG2  PRO  27           1HG      PRO  27   3.148  -0.640   7.108
  209    HG3  PRO  27           2HG      PRO  27   3.896  -0.320   5.694
  210    HD2  PRO  27           1HD      PRO  27   2.812  -0.690   8.836
  211    HD3  PRO  27           2HD      PRO  27   4.072  -0.164   7.945
  212    H    SER  28           H        SER  28   0.911   3.826   6.240
  213    HA   SER  28           HA       SER  28  -1.492   3.568   8.020
  214    HB2  SER  28           1HB      SER  28  -0.561   5.745   6.248
  215    HB3  SER  28           2HB      SER  28  -2.065   5.716   7.198
  216    HG   SER  28           HG       SER  28  -0.343   6.755   8.293
  217    H    GLN  29           H        GLN  29  -3.367   2.784   7.303
  218    HA   GLN  29           HA       GLN  29  -3.607   1.801   4.564
  219    HB2  GLN  29           1HB      GLN  29  -4.556   0.625   6.508
  220    HB3  GLN  29           2HB      GLN  29  -5.637   2.009   6.799
  221    HG2  GLN  29           1HG      GLN  29  -6.780   1.420   4.428
  222    HG3  GLN  29           2HG      GLN  29  -5.426   0.267   4.501
  223   HE21  GLN  29          2HE2      GLN  29  -8.066  -0.534   4.063
  224   HE22  GLN  29          1HE2      GLN  29  -8.616  -1.438   5.435
  225    H    GLY  30           H        GLY  30  -4.230   2.842   2.860
  226    HA2  GLY  30           1HA      GLY  30  -5.693   4.116   1.549
  227    HA3  GLY  30           2HA      GLY  30  -6.519   4.665   3.025
  228    H    LYS  31           H        LYS  31  -3.058   4.880   2.884
  229    HA   LYS  31           HA       LYS  31  -3.273   7.837   2.408
  230    HB2  LYS  31           1HB      LYS  31  -1.432   6.321   4.264
  231    HB3  LYS  31           2HB      LYS  31  -1.339   8.063   3.913
  232    HG2  LYS  31           1HG      LYS  31  -3.705   6.662   5.205
  233    HG3  LYS  31           2HG      LYS  31  -2.447   7.561   6.085
  234    HD2  LYS  31           1HD      LYS  31  -3.041   9.610   4.880
  235    HD3  LYS  31           2HD      LYS  31  -4.271   8.719   3.951
  236    HE2  LYS  31           1HE      LYS  31  -5.519   8.249   5.984
  237    HE3  LYS  31           2HE      LYS  31  -4.257   9.026   6.969
  238    HZ1  LYS  31           3HZ      LYS  31  -5.939  10.380   4.958
  239    HZ2  LYS  31           1HZ      LYS  31  -6.122  10.492   6.593
  240    HZ3  LYS  31           2HZ      LYS  31  -4.769  11.100   5.871
  241    H    GLY  32           H        GLY  32  -2.635   5.399   0.664
  242    HA2  GLY  32           1HA      GLY  32  -1.490   5.616  -1.414
  243    HA3  GLY  32           2HA      GLY  32  -0.376   6.785  -0.668
  244    H    ARG  33           H        ARG  33  -0.669   4.407   1.559
  245    HA   ARG  33           HA       ARG  33   1.968   3.303   0.877
  246    HB2  ARG  33           1HB      ARG  33   0.174   3.139   3.219
  247    HB3  ARG  33           2HB      ARG  33   1.457   1.930   2.979
  248    HG2  ARG  33           1HG      ARG  33   2.274   3.683   4.433
  249    HG3  ARG  33           2HG      ARG  33   3.122   3.765   2.870
  250    HD2  ARG  33           1HD      ARG  33   1.768   5.616   2.196
  251    HD3  ARG  33           2HD      ARG  33   0.819   5.503   3.696
  252    HE   ARG  33           HE       ARG  33   3.574   6.063   4.415
  253   HH11  ARG  33          1HH1      ARG  33   0.907   7.635   2.809
  254   HH12  ARG  33          2HH1      ARG  33   1.498   9.196   3.344
  255   HH21  ARG  33          1HH2      ARG  33   4.268   7.844   5.028
  256   HH22  ARG  33          2HH2      ARG  33   3.415   9.317   4.609
  257    H    GLY  34           H        GLY  34  -1.367   2.319   0.631
  258    HA2  GLY  34           1HA      GLY  34  -2.156   0.639  -0.807
  259    HA3  GLY  34           2HA      GLY  34  -0.492   0.045  -1.014
  260    H    LEU  35           H        LEU  35  -1.427   0.613   2.233
  261    HA   LEU  35           HA       LEU  35  -1.154  -2.177   2.939
  262    HB2  LEU  35           1HB      LEU  35  -0.542  -0.407   4.314
  263    HB3  LEU  35           2HB      LEU  35  -2.189   0.219   4.555
  264    HG   LEU  35           HG       LEU  35  -2.769  -2.044   5.560
  265   HD11  LEU  35          1HD1      LEU  35  -0.836  -3.378   6.444
  266   HD12  LEU  35          2HD1      LEU  35  -0.802  -3.289   4.668
  267   HD13  LEU  35          3HD1      LEU  35   0.286  -2.261   5.632
  268   HD21  LEU  35          3HD2      LEU  35  -2.460  -0.066   6.929
  269   HD22  LEU  35          1HD2      LEU  35  -1.801  -1.492   7.765
  270   HD23  LEU  35          2HD2      LEU  35  -0.702  -0.336   6.974
  271    H    SER  36           H        SER  36  -2.513  -3.755   2.788
  272    HA   SER  36           HA       SER  36  -5.306  -3.395   1.975
  273    HB2  SER  36           1HB      SER  36  -4.084  -5.181   1.159
  274    HB3  SER  36           2HB      SER  36  -3.788  -5.794   2.802
  275    HG   SER  36           HG       SER  36  -5.557  -6.824   1.775
  Start of MODEL    3
    1    H1   SER   1           H        SER   1   1.510   3.954  12.248
    2    HA   SER   1           HA       SER   1   2.753   6.518  11.136
    3    HB2  SER   1           1HB      SER   1   3.464   4.113   9.573
    4    HB3  SER   1           2HB      SER   1   3.985   5.781   9.245
    5    HG   SER   1           HG       SER   1   5.534   4.784  10.493
    6    H    GLN   2           H        GLN   2   1.980   7.874   9.598
    7    HA   GLN   2           HA       GLN   2  -0.602   7.339   8.414
    8    HB2  GLN   2           1HB      GLN   2   0.226   9.579   9.061
    9    HB3  GLN   2           2HB      GLN   2   1.437   9.478   7.761
   10    HG2  GLN   2           1HG      GLN   2  -0.667   9.417   6.050
   11    HG3  GLN   2           2HG      GLN   2  -1.451   9.443   7.647
   12   HE21  GLN   2          2HE2      GLN   2  -2.056  11.315   5.685
   13   HE22  GLN   2          1HE2      GLN   2  -1.472  12.870   6.179
   14    H    HIS   3           H        HIS   3  -0.971   5.974   6.864
   15    HA   HIS   3           HA       HIS   3   1.070   5.230   4.919
   16    HB2  HIS   3           1HB      HIS   3  -0.837   3.729   5.793
   17    HB3  HIS   3           2HB      HIS   3  -1.906   4.652   4.709
   18    HD2  HIS   3           HD2      HIS   3   0.306   1.492   4.536
   19    HE1  HIS   3           HE1      HIS   3  -0.305   2.889   0.571
   20    HE2  HIS   3           HE2      HIS   3   0.526   0.926   2.110
   21    H    GLY   4           H        GLY   4   1.606   6.153   3.117
   22    HA2  GLY   4           1HA      GLY   4  -0.066   8.404   2.148
   23    HA3  GLY   4           2HA      GLY   4   1.622   8.067   1.699
   24    H    ARG   5           H        ARG   5   1.108   8.291  -0.517
   25    HA   ARG   5           HA       ARG   5  -0.813   6.396  -1.722
   26    HB2  ARG   5           1HB      ARG   5   0.967   8.455  -2.946
   27    HB3  ARG   5           2HB      ARG   5  -0.131   7.375  -3.834
   28    HG2  ARG   5           1HG      ARG   5  -2.049   8.340  -2.631
   29    HG3  ARG   5           2HG      ARG   5  -0.946   9.430  -1.756
   30    HD2  ARG   5           1HD      ARG   5  -0.313  10.446  -3.879
   31    HD3  ARG   5           2HD      ARG   5  -1.484   9.395  -4.708
   32    HE   ARG   5           HE       ARG   5  -2.962  10.965  -2.787
   33   HH11  ARG   5          1HH1      ARG   5  -1.075  11.522  -5.666
   34   HH12  ARG   5          2HH1      ARG   5  -2.055  12.925  -6.045
   35   HH21  ARG   5          1HH2      ARG   5  -4.088  12.575  -3.202
   36   HH22  ARG   5          2HH2      ARG   5  -3.772  13.527  -4.640
   37    H    THR   6           H        THR   6  -0.375   4.726  -3.066
   38    HA   THR   6           HA       THR   6   2.236   3.433  -2.557
   39    HB   THR   6           HB       THR   6   1.237   1.480  -3.678
   40    HG1  THR   6           HG1      THR   6  -0.974   1.663  -4.378
   41   HG21  THR   6          1HG2      THR   6  -0.605   1.050  -2.089
   42   HG22  THR   6          2HG2      THR   6   0.777   1.824  -1.275
   43   HG23  THR   6          3HG2      THR   6  -0.664   2.782  -1.689
   44    H    GLN   7           H        GLN   7   3.674   3.293  -5.747
   45    HA   GLN   7           HA       GLN   7   3.129   1.953  -3.176
   46    HB2  GLN   7           1HB      GLN   7   5.450   1.841  -5.112
   47    HB3  GLN   7           2HB      GLN   7   5.330   0.881  -3.620
   48    HG2  GLN   7           1HG      GLN   7   3.353   0.490  -6.038
   49    HG3  GLN   7           2HG      GLN   7   4.880  -0.263  -5.521
   50   HE21  GLN   7          2HE2      GLN   7   1.568  -0.502  -5.418
   51   HE22  GLN   7          1HE2      GLN   7   1.395  -1.500  -4.014
   52    H    ASP   8           H        ASP   8   4.284   2.099  -1.316
   53    HA   ASP   8           HA       ASP   8   5.459   4.723  -0.781
   54    HB2  ASP   8           1HB      ASP   8   5.143   2.219   0.980
   55    HB3  ASP   8           2HB      ASP   8   5.967   3.753   1.357
   56    H    GLU   9           H        GLU   9   7.523   4.780   0.568
   57    HA   GLU   9           HA       GLU   9   9.676   4.062  -1.196
   58    HB2  GLU   9           1HB      GLU   9   9.597   4.969   1.681
   59    HB3  GLU   9           2HB      GLU   9  11.105   4.698   0.773
   60    HG2  GLU   9           1HG      GLU   9  10.415   6.515  -0.854
   61    HG3  GLU   9           2HG      GLU   9   8.909   6.608   0.087
   62    H    ASN  10           H        ASN  10  11.561   2.792  -0.666
   63    HA   ASN  10           HA       ASN  10  10.754   0.065  -0.211
   64    HB2  ASN  10           1HB      ASN  10  13.673   1.132  -0.392
   65    HB3  ASN  10           2HB      ASN  10  12.898  -0.455  -0.163
   66   HD21  ASN  10          2HD2      ASN  10  14.592   0.698  -2.327
   67   HD22  ASN  10          1HD2      ASN  10  13.693   0.436  -3.785
   68    HA   PRO  11           HA       PRO  11  11.063  -0.455   4.042
   69    HB2  PRO  11           1HB      PRO  11  11.905  -2.854   4.002
   70    HB3  PRO  11           2HB      PRO  11  10.365  -2.416   3.698
   71    HG2  PRO  11           1HG      PRO  11  12.165  -3.121   1.951
   72    HG3  PRO  11           2HG      PRO  11  10.584  -3.522   1.932
   73    HD2  PRO  11           1HD      PRO  11  11.570  -1.752   0.470
   74    HD3  PRO  11           2HD      PRO  11  10.084  -1.642   1.133
   75    H    VAL  12           H        VAL  12  13.705  -1.126   1.981
   76    HA   VAL  12           HA       VAL  12  15.761  -1.130   4.058
   77    HB   VAL  12           HB       VAL  12  15.887  -0.554   1.069
   78   HG11  VAL  12          1HG1      VAL  12  18.329  -0.842   1.331
   79   HG12  VAL  12          2HG1      VAL  12  17.740   0.539   2.287
   80   HG13  VAL  12          3HG1      VAL  12  18.122  -1.003   3.090
   81   HG21  VAL  12          3HG2      VAL  12  15.215  -2.827   1.572
   82   HG22  VAL  12          1HG2      VAL  12  16.870  -2.787   0.917
   83   HG23  VAL  12          2HG2      VAL  12  16.609  -3.018   2.662
   84    H    VAL  13           H        VAL  13  14.356   1.387   1.990
   85    HA   VAL  13           HA       VAL  13  15.992   3.541   3.018
   86    HB   VAL  13           HB       VAL  13  13.170   3.521   1.870
   87   HG11  VAL  13          1HG1      VAL  13  13.479   5.959   1.607
   88   HG12  VAL  13          2HG1      VAL  13  13.538   5.489   3.322
   89   HG13  VAL  13          3HG1      VAL  13  15.044   5.853   2.447
   90   HG21  VAL  13          3HG2      VAL  13  14.856   2.786   0.293
   91   HG22  VAL  13          1HG2      VAL  13  14.240   4.397  -0.143
   92   HG23  VAL  13          2HG2      VAL  13  15.833   4.233   0.634
   93    H    HIS  14           H        HIS  14  12.964   2.104   4.154
   94    HA   HIS  14           HA       HIS  14  12.648   4.074   6.277
   95    HB2  HIS  14           1HB      HIS  14  11.371   1.347   5.792
   96    HB3  HIS  14           2HB      HIS  14  10.927   2.435   7.129
   97    HD2  HIS  14           HD2      HIS  14   9.656   1.688   3.608
   98    HE1  HIS  14           HE1      HIS  14   8.647   5.724   4.476
   99    HE2  HIS  14           HE2      HIS  14   8.278   3.652   2.899
  100    H    PHE  15           H        PHE  15  14.230   0.952   5.971
  101    HA   PHE  15           HA       PHE  15  14.823   0.527   8.736
  102    HB2  PHE  15           1HB      PHE  15  15.272  -1.200   7.054
  103    HB3  PHE  15           2HB      PHE  15  16.453  -0.144   6.246
  104    HD1  PHE  15           HD1      PHE  15  15.750  -1.905   9.441
  105    HD2  PHE  15           HD2      PHE  15  18.674  -0.165   6.858
  106    HE1  PHE  15           HE1      PHE  15  17.551  -2.845  10.850
  107    HE2  PHE  15           HE2      PHE  15  20.478  -1.105   8.263
  108    HZ   PHE  15           HZ       PHE  15  19.915  -2.444  10.261
  109    H    PHE  16           H        PHE  16  16.741   2.232   6.241
  110    HA   PHE  16           HA       PHE  16  18.722   3.286   7.980
  111    HB2  PHE  16           1HB      PHE  16  18.930   3.487   5.552
  112    HB3  PHE  16           2HB      PHE  16  17.470   4.500   5.479
  113    HD1  PHE  16           HD1      PHE  16  20.958   4.364   6.710
  114    HD2  PHE  16           HD2      PHE  16  17.570   6.801   5.799
  115    HE1  PHE  16           HE1      PHE  16  22.352   6.390   6.956
  116    HE2  PHE  16           HE2      PHE  16  18.961   8.830   6.043
  117    HZ   PHE  16           HZ       PHE  16  21.353   8.624   6.623
  118    H    LYS  17           H        LYS  17  15.564   4.677   7.070
  119    HA   LYS  17           HA       LYS  17  15.922   7.069   8.637
  120    HB2  LYS  17           1HB      LYS  17  13.497   5.652   7.541
  121    HB3  LYS  17           2HB      LYS  17  13.404   7.177   8.454
  122    HG2  LYS  17           1HG      LYS  17  14.826   8.269   6.759
  123    HG3  LYS  17           2HG      LYS  17  14.890   6.748   5.840
  124    HD2  LYS  17           1HD      LYS  17  12.511   6.812   5.443
  125    HD3  LYS  17           2HD      LYS  17  12.324   8.212   6.524
  126    HE2  LYS  17           1HE      LYS  17  13.682   9.580   5.017
  127    HE3  LYS  17           2HE      LYS  17  13.919   8.181   3.944
  128    HZ1  LYS  17           3HZ      LYS  17  11.329   9.456   4.551
  129    HZ2  LYS  17           1HZ      LYS  17  12.177   9.628   3.146
  130    HZ3  LYS  17           2HZ      LYS  17  11.549   8.158   3.556
  131    H    ASN  18           H        ASN  18  14.741   3.856   9.400
  132    HA   ASN  18           HA       ASN  18  13.584   4.527  11.958
  133    HB2  ASN  18           1HB      ASN  18  13.328   2.152  10.647
  134    HB3  ASN  18           2HB      ASN  18  14.994   2.152  11.274
  135   HD21  ASN  18          2HD2      ASN  18  15.086   0.752  12.849
  136   HD22  ASN  18          1HD2      ASN  18  13.984   0.636  14.180
  137    H    ILE  19           H        ILE  19  16.864   3.974  10.875
  138    HA   ILE  19           HA       ILE  19  17.918   3.719  13.618
  139    HB   ILE  19           HB       ILE  19  19.269   4.077  10.905
  140   HG12  ILE  19          1HG1      ILE  19  19.207   1.685  12.720
  141   HG13  ILE  19          2HG1      ILE  19  18.084   1.945  11.365
  142   HG21  ILE  19          1HG2      ILE  19  21.372   3.573  12.098
  143   HG22  ILE  19          2HG2      ILE  19  20.630   5.067  12.715
  144   HG23  ILE  19          3HG2      ILE  19  20.492   3.558  13.645
  145   HD11  ILE  19          3HD1      ILE  19  21.107   1.718  11.151
  146   HD12  ILE  19          1HD1      ILE  19  19.935   0.455  10.713
  147   HD13  ILE  19          2HD1      ILE  19  19.984   1.979   9.797
  148    H    VAL  20           H        VAL  20  17.732   6.260  11.157
  149    HA   VAL  20           HA       VAL  20  19.356   8.047  12.921
  150    HB   VAL  20           HB       VAL  20  19.418   9.548  11.003
  151   HG11  VAL  20          1HG1      VAL  20  20.592   8.113   9.369
  152   HG12  VAL  20          2HG1      VAL  20  21.054   7.696  11.036
  153   HG13  VAL  20          3HG1      VAL  20  19.906   6.666  10.147
  154   HG21  VAL  20          3HG2      VAL  20  17.159   9.221  10.191
  155   HG22  VAL  20          1HG2      VAL  20  18.341   8.994   8.882
  156   HG23  VAL  20          2HG2      VAL  20  17.573   7.580   9.642
  157    H    THR  21           H        THR  21  16.094   7.378  12.203
  158    HA   THR  21           HA       THR  21  15.348   9.905  13.637
  159    HB   THR  21           HB       THR  21  13.779   8.554  11.401
  160    HG1  THR  21           HG1      THR  21  14.279  10.541  10.298
  161   HG21  THR  21          1HG2      THR  21  12.282  10.506  11.621
  162   HG22  THR  21          2HG2      THR  21  12.353   9.578  13.139
  163   HG23  THR  21          3HG2      THR  21  13.259  11.102  12.984
  164    HA   PRO  22           HA       PRO  22  13.770   7.062  16.431
  165    HB2  PRO  22           1HB      PRO  22  12.730   8.803  17.948
  166    HB3  PRO  22           2HB      PRO  22  14.332   8.516  17.858
  167    HG2  PRO  22           1HG      PRO  22  13.043  10.531  16.824
  168    HG3  PRO  22           2HG      PRO  22  14.505  10.581  17.545
  169    HD2  PRO  22           1HD      PRO  22  14.278  10.609  15.069
  170    HD3  PRO  22           2HD      PRO  22  15.481   9.805  15.823
  171    H    ARG  23           H        ARG  23  11.858   9.449  14.908
  172    HA   ARG  23           HA       ARG  23   9.286   8.326  15.666
  173    HB2  ARG  23           1HB      ARG  23  10.038  10.170  13.443
  174    HB3  ARG  23           2HB      ARG  23   8.383   9.667  13.861
  175    HG2  ARG  23           1HG      ARG  23   8.590  10.710  16.054
  176    HG3  ARG  23           2HG      ARG  23  10.279  11.153  15.706
  177    HD2  ARG  23           1HD      ARG  23   9.505  12.588  13.901
  178    HD3  ARG  23           2HD      ARG  23   7.824  12.174  14.313
  179    HE   ARG  23           HE       ARG  23   9.014  13.392  16.651
  180   HH11  ARG  23          1HH1      ARG  23   8.162  14.310  13.396
  181   HH12  ARG  23          2HH1      ARG  23   7.880  15.955  13.929
  182   HH21  ARG  23          1HH2      ARG  23   8.703  15.273  17.274
  183   HH22  ARG  23          2HH2      ARG  23   8.188  16.507  16.140
  184    H    THR  24           H        THR  24   8.045   6.838  14.775
  185    HA   THR  24           HA       THR  24   9.276   4.793  13.203
  186    HB   THR  24           HB       THR  24   6.300   5.346  13.553
  187    HG1  THR  24           HG1      THR  24   6.548   3.837  15.306
  188   HG21  THR  24          1HG2      THR  24   6.077   2.920  13.143
  189   HG22  THR  24          2HG2      THR  24   6.833   3.738  11.754
  190   HG23  THR  24          3HG2      THR  24   7.834   2.802  12.888
  191    HA   PRO  25           HA       PRO  25   9.165   6.633   9.282
  192    HB2  PRO  25           1HB      PRO  25   9.779   4.048   8.664
  193    HB3  PRO  25           2HB      PRO  25  10.541   5.437   8.285
  194    HG2  PRO  25           1HG      PRO  25  10.839   4.033  10.459
  195    HG3  PRO  25           2HG      PRO  25  12.018   4.786   9.622
  196    HD2  PRO  25           1HD      PRO  25   9.708   3.746  11.746
  197    HD3  PRO  25           2HD      PRO  25  10.841   4.898  11.519
  198    HA   PRO  26           HA       PRO  26   5.287   5.757   7.622
  199    HB2  PRO  26           1HB      PRO  26   6.559   6.016   5.224
  200    HB3  PRO  26           2HB      PRO  26   5.257   6.793   5.822
  201    HG2  PRO  26           1HG      PRO  26   7.760   7.424   6.187
  202    HG3  PRO  26           2HG      PRO  26   6.524   8.459   5.938
  203    HD2  PRO  26           1HD      PRO  26   8.990   6.569   7.062
  204    HD3  PRO  26           2HD      PRO  26   7.925   7.721   7.513
  205    HA   PRO  27           HA       PRO  27   4.969   1.598   6.615
  206    HB2  PRO  27           1HB      PRO  27   3.223   2.399   4.674
  207    HB3  PRO  27           2HB      PRO  27   3.036   1.332   5.892
  208    HG2  PRO  27           1HG      PRO  27   2.697   3.914   6.007
  209    HG3  PRO  27           2HG      PRO  27   1.775   2.780   6.732
  210    HD2  PRO  27           1HD      PRO  27   3.885   5.186   5.810
  211    HD3  PRO  27           2HD      PRO  27   3.303   4.392   7.110
  212    H    SER  28           H        SER  28   5.768  -0.001   5.243
  213    HA   SER  28           HA       SER  28   7.815   1.064   3.386
  214    HB2  SER  28           1HB      SER  28   8.642  -1.057   3.275
  215    HB3  SER  28           2HB      SER  28   8.300  -0.645   4.971
  216    HG   SER  28           HG       SER  28   7.626  -2.762   4.418
  217    H    GLN  29           H        GLN  29   8.082   0.190   1.236
  218    HA   GLN  29           HA       GLN  29   5.917   0.349  -0.524
  219    HB2  GLN  29           1HB      GLN  29   8.352   0.220  -1.098
  220    HB3  GLN  29           2HB      GLN  29   8.271  -1.531  -0.793
  221    HG2  GLN  29           1HG      GLN  29   6.476  -1.609  -2.835
  222    HG3  GLN  29           2HG      GLN  29   6.871   0.121  -2.705
  223   HE21  GLN  29          2HE2      GLN  29   8.236   0.804  -4.208
  224   HE22  GLN  29          1HE2      GLN  29   9.503  -0.126  -4.936
  225    H    GLY  30           H        GLY  30   4.195  -0.760  -0.973
  226    HA2  GLY  30           1HA      GLY  30   3.415  -3.048   0.520
  227    HA3  GLY  30           2HA      GLY  30   2.643  -2.472  -0.976
  228    H    LYS  31           H        LYS  31   4.652  -2.750  -2.824
  229    HA   LYS  31           HA       LYS  31   4.643  -5.571  -3.389
  230    HB2  LYS  31           1HB      LYS  31   6.242  -3.261  -4.490
  231    HB3  LYS  31           2HB      LYS  31   6.360  -4.926  -5.108
  232    HG2  LYS  31           1HG      LYS  31   3.977  -4.880  -5.710
  233    HG3  LYS  31           2HG      LYS  31   3.846  -3.221  -5.077
  234    HD2  LYS  31           1HD      LYS  31   5.503  -2.463  -6.742
  235    HD3  LYS  31           2HD      LYS  31   5.610  -4.120  -7.381
  236    HE2  LYS  31           1HE      LYS  31   3.233  -4.058  -7.976
  237    HE3  LYS  31           2HE      LYS  31   3.105  -2.412  -7.316
  238    HZ1  LYS  31           3HZ      LYS  31   4.792  -3.217  -9.598
  239    HZ2  LYS  31           1HZ      LYS  31   3.366  -2.396  -9.703
  240    HZ3  LYS  31           2HZ      LYS  31   4.674  -1.690  -8.986
  241    H    GLY  32           H        GLY  32   6.987  -3.445  -1.834
  242    HA2  GLY  32           1HA      GLY  32   9.102  -5.416  -1.756
  243    HA3  GLY  32           2HA      GLY  32   8.998  -3.930  -0.784
  244    H    ARG  33           H        ARG  33   6.317  -4.665   0.248
  245    HA   ARG  33           HA       ARG  33   7.180  -6.376   2.472
  246    HB2  ARG  33           1HB      ARG  33   5.777  -4.457   2.844
  247    HB3  ARG  33           2HB      ARG  33   4.490  -5.222   1.883
  248    HG2  ARG  33           1HG      ARG  33   4.263  -7.003   3.494
  249    HG3  ARG  33           2HG      ARG  33   5.676  -6.416   4.404
  250    HD2  ARG  33           1HD      ARG  33   4.464  -4.401   4.975
  251    HD3  ARG  33           2HD      ARG  33   3.051  -5.000   4.075
  252    HE   ARG  33           HE       ARG  33   3.683  -6.878   6.217
  253   HH11  ARG  33          1HH1      ARG  33   2.377  -3.677   5.760
  254   HH12  ARG  33          2HH1      ARG  33   1.415  -3.856   7.215
  255   HH21  ARG  33          1HH2      ARG  33   2.595  -7.094   7.889
  256   HH22  ARG  33          2HH2      ARG  33   1.540  -5.803   8.431
  257    H    GLY  34           H        GLY  34   5.194  -6.708  -0.420
  258    HA2  GLY  34           1HA      GLY  34   5.110  -8.949  -1.431
  259    HA3  GLY  34           2HA      GLY  34   4.989  -9.627   0.209
  260    H    LEU  35           H        LEU  35   3.259  -6.704  -0.420
  261    HA   LEU  35           HA       LEU  35   0.700  -8.261  -0.467
  262    HB2  LEU  35           1HB      LEU  35   1.323  -5.484   0.301
  263    HB3  LEU  35           2HB      LEU  35  -0.317  -6.146   0.482
  264    HG   LEU  35           HG       LEU  35   2.178  -6.974   2.014
  265   HD11  LEU  35          1HD1      LEU  35   0.889  -6.141   3.998
  266   HD12  LEU  35          2HD1      LEU  35   1.129  -4.851   2.797
  267   HD13  LEU  35          3HD1      LEU  35  -0.444  -5.673   2.916
  268   HD21  LEU  35          3HD2      LEU  35   0.814  -8.916   1.523
  269   HD22  LEU  35          1HD2      LEU  35   0.699  -8.515   3.253
  270   HD23  LEU  35          2HD2      LEU  35  -0.635  -8.094   2.150
  271    H    SER  36           H        SER  36  -1.035  -7.560  -1.730
  272    HA   SER  36           HA       SER  36  -0.702  -5.462  -3.784
  273    HB2  SER  36           1HB      SER  36   0.800  -6.968  -4.708
  274    HB3  SER  36           2HB      SER  36  -0.400  -8.277  -4.640
  275    HG   SER  36           HG       SER  36  -0.310  -7.261  -6.689
  Start of MODEL    4
    1    H1   SER   1           H        SER   1  14.116  14.849  16.330
    2    HA   SER   1           HA       SER   1  11.102  15.193  15.940
    3    HB2  SER   1           1HB      SER   1  11.946  17.002  14.796
    4    HB3  SER   1           2HB      SER   1  12.679  15.955  13.559
    5    HG   SER   1           HG       SER   1  10.540  15.229  13.082
    6    H    GLN   2           H        GLN   2   9.847  13.476  15.606
    7    HA   GLN   2           HA       GLN   2  10.810  11.045  14.362
    8    HB2  GLN   2           1HB      GLN   2   9.104  11.070  16.116
    9    HB3  GLN   2           2HB      GLN   2   8.011  11.972  15.040
   10    HG2  GLN   2           1HG      GLN   2   7.929   9.790  13.492
   11    HG3  GLN   2           2HG      GLN   2   9.190   9.358  14.670
   12   HE21  GLN   2          2HE2      GLN   2   7.430   7.487  14.512
   13   HE22  GLN   2          1HE2      GLN   2   6.249   7.530  15.779
   14    H    HIS   3           H        HIS   3  10.901  10.443  12.353
   15    HA   HIS   3           HA       HIS   3   9.994  12.073  10.169
   16    HB2  HIS   3           1HB      HIS   3  11.811  10.277  10.076
   17    HB3  HIS   3           2HB      HIS   3  10.502   9.072  10.076
   18    HD2  HIS   3           HD2      HIS   3  12.410  11.348   7.517
   19    HE1  HIS   3           HE1      HIS   3   9.038   9.611   5.604
   20    HE2  HIS   3           HE2      HIS   3  11.278  10.957   5.321
   21    H    GLY   4           H        GLY   4   8.218  12.142   8.972
   22    HA2  GLY   4           1HA      GLY   4   5.802  11.218  10.288
   23    HA3  GLY   4           2HA      GLY   4   5.904  12.136   8.768
   24    H    ARG   5           H        ARG   5   4.003  10.347   8.723
   25    HA   ARG   5           HA       ARG   5   4.696   7.627   8.179
   26    HB2  ARG   5           1HB      ARG   5   2.470   8.418   8.770
   27    HB3  ARG   5           2HB      ARG   5   2.328   9.113   7.138
   28    HG2  ARG   5           1HG      ARG   5   2.544   6.894   6.147
   29    HG3  ARG   5           2HG      ARG   5   2.765   6.176   7.762
   30    HD2  ARG   5           1HD      ARG   5   0.300   7.549   6.735
   31    HD3  ARG   5           2HD      ARG   5   0.550   5.796   6.910
   32    HE   ARG   5           HE       ARG   5  -0.174   7.600   9.148
   33   HH11  ARG   5          1HH1      ARG   5   1.239   4.526   8.300
   34   HH12  ARG   5          2HH1      ARG   5   0.920   3.926   9.915
   35   HH21  ARG   5          1HH2      ARG   5  -0.554   6.924  11.000
   36   HH22  ARG   5          2HH2      ARG   5  -0.104   5.293  11.456
   37    H    THR   6           H        THR   6   5.582   6.629   6.555
   38    HA   THR   6           HA       THR   6   6.550   8.233   4.299
   39    HB   THR   6           HB       THR   6   7.685   6.171   3.595
   40    HG1  THR   6           HG1      THR   6   7.319   4.245   4.700
   41   HG21  THR   6          1HG2      THR   6   9.082   5.800   5.598
   42   HG22  THR   6          2HG2      THR   6   8.736   7.531   5.370
   43   HG23  THR   6          3HG2      THR   6   7.853   6.602   6.605
   44    H    GLN   7           H        GLN   7   6.377   7.542   2.073
   45    HA   GLN   7           HA       GLN   7   3.659   6.414   1.499
   46    HB2  GLN   7           1HB      GLN   7   5.073   8.759   0.211
   47    HB3  GLN   7           2HB      GLN   7   3.607   7.985  -0.434
   48    HG2  GLN   7           1HG      GLN   7   2.410   8.781   1.880
   49    HG3  GLN   7           2HG      GLN   7   4.085   9.355   2.063
   50   HE21  GLN   7          2HE2      GLN   7   2.035  11.132   2.334
   51   HE22  GLN   7          1HE2      GLN   7   1.981  12.203   0.974
   52    H    ASP   8           H        ASP   8   4.231   4.415   0.911
   53    HA   ASP   8           HA       ASP   8   5.091   2.738  -0.457
   54    HB2  ASP   8           1HB      ASP   8   3.680   4.317  -2.115
   55    HB3  ASP   8           2HB      ASP   8   5.346   4.795  -2.525
   56    H    GLU   9           H        GLU   9   7.014   3.837   1.124
   57    HA   GLU   9           HA       GLU   9   9.380   4.149  -0.676
   58    HB2  GLU   9           1HB      GLU   9   8.978   4.599   2.284
   59    HB3  GLU   9           2HB      GLU   9  10.552   4.694   1.458
   60    HG2  GLU   9           1HG      GLU   9   9.689   6.631   0.082
   61    HG3  GLU   9           2HG      GLU   9   8.129   6.348   0.885
   62    H    ASN  10           H        ASN  10  11.360   3.038  -0.120
   63    HA   ASN  10           HA       ASN  10  10.773   0.190  -0.093
   64    HB2  ASN  10           1HB      ASN  10  13.575   1.542  -0.182
   65    HB3  ASN  10           2HB      ASN  10  12.962  -0.128  -0.120
   66   HD21  ASN  10          2HD2      ASN  10  14.484   1.416  -2.166
   67   HD22  ASN  10          1HD2      ASN  10  13.580   1.227  -3.632
   68    HA   PRO  11           HA       PRO  11  11.281  -0.799   4.061
   69    HB2  PRO  11           1HB      PRO  11  12.240  -3.118   3.738
   70    HB3  PRO  11           2HB      PRO  11  10.677  -2.739   3.476
   71    HG2  PRO  11           1HG      PRO  11  12.512  -3.143   1.671
   72    HG3  PRO  11           2HG      PRO  11  10.957  -3.631   1.601
   73    HD2  PRO  11           1HD      PRO  11  11.730  -1.631   0.347
   74    HD3  PRO  11           2HD      PRO  11  10.265  -1.692   1.061
   75    H    VAL  12           H        VAL  12  13.884  -1.079   1.860
   76    HA   VAL  12           HA       VAL  12  16.003  -1.122   3.877
   77    HB   VAL  12           HB       VAL  12  15.994  -0.285   0.949
   78   HG11  VAL  12          1HG1      VAL  12  18.457  -0.415   1.122
   79   HG12  VAL  12          2HG1      VAL  12  17.802   0.831   2.211
   80   HG13  VAL  12          3HG1      VAL  12  18.317  -0.742   2.866
   81   HG21  VAL  12          3HG2      VAL  12  15.501  -2.636   1.265
   82   HG22  VAL  12          1HG2      VAL  12  17.126  -2.418   0.576
   83   HG23  VAL  12          2HG2      VAL  12  16.938  -2.818   2.300
   84    H    VAL  13           H        VAL  13  14.408   1.460   2.029
   85    HA   VAL  13           HA       VAL  13  15.852   3.625   3.301
   86    HB   VAL  13           HB       VAL  13  13.065   3.496   2.079
   87   HG11  VAL  13          1HG1      VAL  13  13.173   5.966   2.071
   88   HG12  VAL  13          2HG1      VAL  13  13.235   5.328   3.731
   89   HG13  VAL  13          3HG1      VAL  13  14.724   5.902   2.941
   90   HG21  VAL  13          3HG2      VAL  13  14.838   3.067   0.485
   91   HG22  VAL  13          1HG2      VAL  13  14.099   4.659   0.195
   92   HG23  VAL  13          2HG2      VAL  13  15.684   4.547   0.998
   93    H    HIS  14           H        HIS  14  12.884   1.899   4.186
   94    HA   HIS  14           HA       HIS  14  12.302   3.453   6.513
   95    HB2  HIS  14           1HB      HIS  14  11.763   0.525   5.855
   96    HB3  HIS  14           2HB      HIS  14  11.125   1.353   7.296
   97    HD2  HIS  14           HD2      HIS  14  10.427   4.163   5.106
   98    HE1  HIS  14           HE1      HIS  14   7.504   1.294   3.976
   99    HE2  HIS  14           HE2      HIS  14   8.261   3.810   3.904
  100    H    PHE  15           H        PHE  15  14.331   0.554   6.106
  101    HA   PHE  15           HA       PHE  15  15.080   0.238   8.826
  102    HB2  PHE  15           1HB      PHE  15  15.628  -1.439   7.109
  103    HB3  PHE  15           2HB      PHE  15  16.714  -0.284   6.305
  104    HD1  PHE  15           HD1      PHE  15  16.181  -2.147   9.471
  105    HD2  PHE  15           HD2      PHE  15  18.934  -0.113   6.914
  106    HE1  PHE  15           HE1      PHE  15  18.062  -2.954  10.858
  107    HE2  PHE  15           HE2      PHE  15  20.818  -0.920   8.297
  108    HZ   PHE  15           HZ       PHE  15  20.381  -2.340  10.271
  109    H    PHE  16           H        PHE  16  16.713   2.133   6.273
  110    HA   PHE  16           HA       PHE  16  18.762   3.192   7.952
  111    HB2  PHE  16           1HB      PHE  16  18.892   3.370   5.511
  112    HB3  PHE  16           2HB      PHE  16  17.435   4.390   5.482
  113    HD1  PHE  16           HD1      PHE  16  20.956   4.240   6.620
  114    HD2  PHE  16           HD2      PHE  16  17.560   6.690   5.775
  115    HE1  PHE  16           HE1      PHE  16  22.368   6.260   6.816
  116    HE2  PHE  16           HE2      PHE  16  18.968   8.712   5.968
  117    HZ   PHE  16           HZ       PHE  16  21.373   8.496   6.490
  118    H    LYS  17           H        LYS  17  15.540   4.498   7.154
  119    HA   LYS  17           HA       LYS  17  16.009   6.966   8.606
  120    HB2  LYS  17           1HB      LYS  17  13.548   5.607   7.517
  121    HB3  LYS  17           2HB      LYS  17  13.488   7.150   8.402
  122    HG2  LYS  17           1HG      LYS  17  15.021   8.136   6.701
  123    HG3  LYS  17           2HG      LYS  17  14.941   6.609   5.791
  124    HD2  LYS  17           1HD      LYS  17  12.566   6.869   5.438
  125    HD3  LYS  17           2HD      LYS  17  12.520   8.289   6.511
  126    HE2  LYS  17           1HE      LYS  17  14.028   9.483   4.950
  127    HE3  LYS  17           2HE      LYS  17  13.989   8.076   3.864
  128    HZ1  LYS  17           3HZ      LYS  17  11.657   9.706   4.644
  129    HZ2  LYS  17           1HZ      LYS  17  12.425   9.768   3.185
  130    HZ3  LYS  17           2HZ      LYS  17  11.619   8.401   3.636
  131    H    ASN  18           H        ASN  18  14.826   3.807   9.488
  132    HA   ASN  18           HA       ASN  18  13.645   4.689  12.014
  133    HB2  ASN  18           1HB      ASN  18  14.295   1.785  11.101
  134    HB3  ASN  18           2HB      ASN  18  13.727   2.538  12.611
  135   HD21  ASN  18          2HD2      ASN  18  12.446   0.634  10.760
  136   HD22  ASN  18          1HD2      ASN  18  10.941   1.364  10.312
  137    H    ILE  19           H        ILE  19  16.806   4.395  10.929
  138    HA   ILE  19           HA       ILE  19  17.847   3.934  13.701
  139    HB   ILE  19           HB       ILE  19  19.249   4.101  10.994
  140   HG12  ILE  19          1HG1      ILE  19  19.009   1.775  12.878
  141   HG13  ILE  19          2HG1      ILE  19  17.920   2.065  11.502
  142   HG21  ILE  19          1HG2      ILE  19  21.296   3.501  12.246
  143   HG22  ILE  19          2HG2      ILE  19  20.640   5.059  12.800
  144   HG23  ILE  19          3HG2      ILE  19  20.388   3.590  13.773
  145   HD11  ILE  19          3HD1      ILE  19  20.925   1.640  11.335
  146   HD12  ILE  19          1HD1      ILE  19  19.678   0.441  10.919
  147   HD13  ILE  19          2HD1      ILE  19  19.836   1.930   9.958
  148    H    VAL  20           H        VAL  20  17.960   6.314  11.066
  149    HA   VAL  20           HA       VAL  20  19.535   8.168  12.762
  150    HB   VAL  20           HB       VAL  20  19.375   9.682  10.818
  151   HG11  VAL  20          1HG1      VAL  20  20.627   8.296   9.196
  152   HG12  VAL  20          2HG1      VAL  20  21.170   7.983  10.862
  153   HG13  VAL  20          3HG1      VAL  20  20.095   6.825  10.043
  154   HG21  VAL  20          3HG2      VAL  20  17.132   9.126  10.086
  155   HG22  VAL  20          1HG2      VAL  20  18.293   8.958   8.749
  156   HG23  VAL  20          2HG2      VAL  20  17.677   7.510   9.580
  157    H    THR  21           H        THR  21  16.201   7.609  11.973
  158    HA   THR  21           HA       THR  21  15.571   9.786  13.926
  159    HB   THR  21           HB       THR  21  13.532  10.341  12.664
  160    HG1  THR  21           HG1      THR  21  13.307   8.309  11.578
  161   HG21  THR  21          1HG2      THR  21  14.585  11.490  10.748
  162   HG22  THR  21          2HG2      THR  21  15.584  11.642  12.213
  163   HG23  THR  21          3HG2      THR  21  16.038  10.483  10.942
  164    HA   PRO  22           HA       PRO  22  12.982   7.076  16.043
  165    HB2  PRO  22           1HB      PRO  22  11.032   8.944  15.645
  166    HB3  PRO  22           2HB      PRO  22  11.599   8.282  17.022
  167    HG2  PRO  22           1HG      PRO  22  12.578  10.338  15.755
  168    HG3  PRO  22           2HG      PRO  22  12.445  10.167  17.371
  169    HD2  PRO  22           1HD      PRO  22  13.307  10.400  14.163
  170    HD3  PRO  22           2HD      PRO  22  13.916  10.208  15.664
  171    H    ARG  23           H        ARG  23  11.291   5.525  15.860
  172    HA   ARG  23           HA       ARG  23  11.232   4.428  13.273
  173    HB2  ARG  23           1HB      ARG  23   9.360   4.012  15.555
  174    HB3  ARG  23           2HB      ARG  23   9.309   3.100  14.028
  175    HG2  ARG  23           1HG      ARG  23  11.589   2.287  14.429
  176    HG3  ARG  23           2HG      ARG  23  11.655   3.211  15.949
  177    HD2  ARG  23           1HD      ARG  23   9.644   1.060  15.404
  178    HD3  ARG  23           2HD      ARG  23  11.233   0.765  16.149
  179    HE   ARG  23           HE       ARG  23   9.899   2.694  17.813
  180   HH11  ARG  23          1HH1      ARG  23   9.346  -0.594  16.792
  181   HH12  ARG  23          2HH1      ARG  23   8.529  -0.932  18.305
  182   HH21  ARG  23          1HH2      ARG  23   8.958   2.325  19.547
  183   HH22  ARG  23          2HH2      ARG  23   8.305   0.732  19.876
  184    H    THR  24           H        THR  24  10.308   4.903  11.456
  185    HA   THR  24           HA       THR  24   8.236   7.029  11.445
  186    HB   THR  24           HB       THR  24  10.252   7.108   9.898
  187    HG1  THR  24           HG1      THR  24   7.655   6.992   8.702
  188   HG21  THR  24          1HG2      THR  24  10.161   5.688   7.880
  189   HG22  THR  24          2HG2      THR  24  10.335   4.700   9.351
  190   HG23  THR  24          3HG2      THR  24   8.752   4.830   8.546
  191    HA   PRO  25           HA       PRO  25   4.908   4.329  11.006
  192    HB2  PRO  25           1HB      PRO  25   3.900   6.556   9.793
  193    HB3  PRO  25           2HB      PRO  25   3.316   5.666  11.027
  194    HG2  PRO  25           1HG      PRO  25   5.028   7.624  11.184
  195    HG3  PRO  25           2HG      PRO  25   3.805   7.317  12.220
  196    HD2  PRO  25           1HD      PRO  25   6.657   7.710  10.554
  197    HD3  PRO  25           2HD      PRO  25   6.043   7.254  11.995
  198    HA   PRO  26           HA       PRO  26   5.473   2.896   7.001
  199    HB2  PRO  26           1HB      PRO  26   3.826   1.009   7.074
  200    HB3  PRO  26           2HB      PRO  26   5.213   0.995   7.928
  201    HG2  PRO  26           1HG      PRO  26   2.810   1.395   8.854
  202    HG3  PRO  26           2HG      PRO  26   3.994   0.529   9.568
  203    HD2  PRO  26           1HD      PRO  26   3.681   2.826  10.389
  204    HD3  PRO  26           2HD      PRO  26   5.195   2.242  10.214
  205    HA   PRO  27           HA       PRO  27   2.510   4.552   4.392
  206    HB2  PRO  27           1HB      PRO  27   2.851   2.346   2.836
  207    HB3  PRO  27           2HB      PRO  27   3.089   3.923   2.503
  208    HG2  PRO  27           1HG      PRO  27   4.799   2.275   3.573
  209    HG3  PRO  27           2HG      PRO  27   5.124   3.427   2.465
  210    HD2  PRO  27           1HD      PRO  27   4.852   1.610   5.138
  211    HD3  PRO  27           2HD      PRO  27   5.425   3.040   4.602
  212    H    SER  28           H        SER  28   0.321   4.530   3.824
  213    HA   SER  28           HA       SER  28  -1.342   2.504   5.183
  214    HB2  SER  28           1HB      SER  28  -3.148   3.689   4.492
  215    HB3  SER  28           2HB      SER  28  -1.914   4.824   5.084
  216    HG   SER  28           HG       SER  28  -2.489   4.231   2.370
  217    H    GLN  29           H        GLN  29  -3.106   1.444   3.948
  218    HA   GLN  29           HA       GLN  29  -1.998  -0.053   1.682
  219    HB2  GLN  29           1HB      GLN  29  -4.700  -0.071   3.042
  220    HB3  GLN  29           2HB      GLN  29  -4.223  -1.167   1.723
  221    HG2  GLN  29           1HG      GLN  29  -2.316  -2.079   3.443
  222    HG3  GLN  29           2HG      GLN  29  -3.147  -0.814   4.379
  223   HE21  GLN  29          2HE2      GLN  29  -2.857  -3.492   5.232
  224   HE22  GLN  29          1HE2      GLN  29  -4.430  -4.217   5.299
  225    H    GLY  30           H        GLY  30  -2.821  -0.218  -0.383
  226    HA2  GLY  30           1HA      GLY  30  -4.184   0.487  -2.204
  227    HA3  GLY  30           2HA      GLY  30  -4.728   1.883  -1.246
  228    H    LYS  31           H        LYS  31  -1.515   1.757  -0.694
  229    HA   LYS  31           HA       LYS  31  -0.969   3.770  -2.835
  230    HB2  LYS  31           1HB      LYS  31   0.520   3.142  -0.281
  231    HB3  LYS  31           2HB      LYS  31   0.908   4.438  -1.437
  232    HG2  LYS  31           1HG      LYS  31  -1.642   4.226   0.203
  233    HG3  LYS  31           2HG      LYS  31  -0.265   5.297   0.562
  234    HD2  LYS  31           1HD      LYS  31  -0.585   6.415  -1.622
  235    HD3  LYS  31           2HD      LYS  31  -1.988   5.367  -1.939
  236    HE2  LYS  31           1HE      LYS  31  -3.059   6.262   0.128
  237    HE3  LYS  31           2HE      LYS  31  -1.692   7.385   0.307
  238    HZ1  LYS  31           3HZ      LYS  31  -3.548   7.294  -1.985
  239    HZ2  LYS  31           1HZ      LYS  31  -3.561   8.425  -0.784
  240    HZ3  LYS  31           2HZ      LYS  31  -2.280   8.336  -1.820
  241    H    GLY  32           H        GLY  32  -0.543   0.537  -2.291
  242    HA2  GLY  32           1HA      GLY  32   0.586  -0.780  -3.981
  243    HA3  GLY  32           2HA      GLY  32   1.793   0.516  -4.147
  244    H    ARG  33           H        ARG  33   1.340   0.446  -0.954
  245    HA   ARG  33           HA       ARG  33   3.804  -0.927  -0.369
  246    HB2  ARG  33           1HB      ARG  33   3.027   0.880   0.972
  247    HB3  ARG  33           2HB      ARG  33   1.611  -0.075   1.470
  248    HG2  ARG  33           1HG      ARG  33   4.269  -1.310   1.950
  249    HG3  ARG  33           2HG      ARG  33   3.879   0.124   2.929
  250    HD2  ARG  33           1HD      ARG  33   2.137  -2.305   2.698
  251    HD3  ARG  33           2HD      ARG  33   3.343  -2.036   3.980
  252    HE   ARG  33           HE       ARG  33   1.589   0.166   4.231
  253   HH11  ARG  33          1HH1      ARG  33   1.078  -3.281   4.117
  254   HH12  ARG  33          2HH1      ARG  33  -0.321  -3.114   5.157
  255   HH21  ARG  33          1HH2      ARG  33  -0.016   0.375   5.417
  256   HH22  ARG  33          2HH2      ARG  33  -0.948  -1.029   5.898
  257    H    GLY  34           H        GLY  34   0.393  -1.863   0.037
  258    HA2  GLY  34           1HA      GLY  34   1.031  -4.450   1.157
  259    HA3  GLY  34           2HA      GLY  34  -0.542  -3.932   0.507
  260    H    LEU  35           H        LEU  35   0.723  -3.159  -2.084
  261    HA   LEU  35           HA       LEU  35   0.548  -5.784  -3.373
  262    HB2  LEU  35           1HB      LEU  35   1.180  -3.052  -4.274
  263    HB3  LEU  35           2HB      LEU  35   1.020  -4.354  -5.476
  264    HG   LEU  35           HG       LEU  35  -1.164  -3.295  -3.639
  265   HD11  LEU  35          1HD1      LEU  35  -2.233  -2.556  -5.785
  266   HD12  LEU  35          2HD1      LEU  35  -0.641  -1.797  -5.561
  267   HD13  LEU  35          3HD1      LEU  35  -0.823  -3.168  -6.680
  268   HD21  LEU  35          3HD2      LEU  35  -1.386  -5.687  -3.965
  269   HD22  LEU  35          1HD2      LEU  35  -2.667  -4.832  -4.857
  270   HD23  LEU  35          2HD2      LEU  35  -1.261  -5.488  -5.730
  271    H    SER  36           H        SER  36   3.090  -3.590  -2.387
  272    HA   SER  36           HA       SER  36   5.280  -4.702  -3.928
  273    HB2  SER  36           1HB      SER  36   5.418  -2.588  -2.980
  274    HB3  SER  36           2HB      SER  36   5.269  -3.266  -1.343
  275    HG   SER  36           HG       SER  36   7.445  -2.899  -1.958
  Start of MODEL    5
    1    H1   SER   1           H        SER   1  -5.766  -0.297   2.416
    2    HA   SER   1           HA       SER   1  -5.220  -2.325   0.192
    3    HB2  SER   1           1HB      SER   1  -7.251  -3.261  -0.322
    4    HB3  SER   1           2HB      SER   1  -7.015  -3.224   1.440
    5    HG   SER   1           HG       SER   1  -9.105  -2.423   0.207
    6    H    GLN   2           H        GLN   2  -7.117   0.661   0.335
    7    HA   GLN   2           HA       GLN   2  -7.750   0.739  -2.493
    8    HB2  GLN   2           1HB      GLN   2  -7.691   2.870  -0.346
    9    HB3  GLN   2           2HB      GLN   2  -8.275   3.132  -2.007
   10    HG2  GLN   2           1HG      GLN   2 -10.152   1.232  -1.405
   11    HG3  GLN   2           2HG      GLN   2  -9.213   1.394   0.097
   12   HE21  GLN   2          2HE2      GLN   2 -11.984   1.751   0.001
   13   HE22  GLN   2          1HE2      GLN   2 -12.347   3.415   0.317
   14    H    HIS   3           H        HIS   3  -6.957   2.038  -4.115
   15    HA   HIS   3           HA       HIS   3  -4.054   2.343  -4.057
   16    HB2  HIS   3           1HB      HIS   3  -4.342   3.152  -6.385
   17    HB3  HIS   3           2HB      HIS   3  -5.238   1.636  -6.125
   18    HD2  HIS   3           HD2      HIS   3  -5.954   5.358  -7.222
   19    HE1  HIS   3           HE1      HIS   3  -9.616   3.234  -6.866
   20    HE2  HIS   3           HE2      HIS   3  -8.412   5.428  -7.675
   21    H    GLY   4           H        GLY   4  -2.939   4.297  -4.702
   22    HA2  GLY   4           1HA      GLY   4  -3.834   6.471  -2.938
   23    HA3  GLY   4           2HA      GLY   4  -2.263   6.340  -3.761
   24    H    ARG   5           H        ARG   5  -3.250   8.066  -6.689
   25    HA   ARG   5           HA       ARG   5  -1.857   5.670  -5.626
   26    HB2  ARG   5           1HB      ARG   5  -1.404   7.263  -8.109
   27    HB3  ARG   5           2HB      ARG   5  -0.459   5.848  -7.588
   28    HG2  ARG   5           1HG      ARG   5  -2.361   4.402  -7.813
   29    HG3  ARG   5           2HG      ARG   5  -3.445   5.787  -8.092
   30    HD2  ARG   5           1HD      ARG   5  -1.186   5.073  -9.921
   31    HD3  ARG   5           2HD      ARG   5  -2.829   4.411 -10.083
   32    HE   ARG   5           HE       ARG   5  -2.913   7.340 -10.185
   33   HH11  ARG   5          1HH1      ARG   5  -2.037   4.572 -12.114
   34   HH12  ARG   5          2HH1      ARG   5  -2.398   5.469 -13.576
   35   HH21  ARG   5          1HH2      ARG   5  -3.325   8.383 -11.849
   36   HH22  ARG   5          2HH2      ARG   5  -3.133   7.643 -13.426
   37    H    THR   6           H        THR   6   0.099   5.598  -4.739
   38    HA   THR   6           HA       THR   6   1.593   8.174  -4.452
   39    HB   THR   6           HB       THR   6   2.101   7.610  -2.102
   40    HG1  THR   6           HG1      THR   6   1.725   5.318  -2.314
   41   HG21  THR   6          1HG2      THR   6  -0.120   8.098  -1.137
   42   HG22  THR   6          2HG2      THR   6   0.183   9.091  -2.583
   43   HG23  THR   6          3HG2      THR   6  -0.885   7.672  -2.686
   44    H    GLN   7           H        GLN   7   3.803   7.782  -3.505
   45    HA   GLN   7           HA       GLN   7   5.085   5.794  -5.246
   46    HB2  GLN   7           1HB      GLN   7   6.116   7.936  -5.070
   47    HB3  GLN   7           2HB      GLN   7   6.097   7.861  -3.292
   48    HG2  GLN   7           1HG      GLN   7   8.515   7.216  -3.887
   49    HG3  GLN   7           2HG      GLN   7   7.389   5.899  -3.484
   50   HE21  GLN   7          2HE2      GLN   7   8.623   4.349  -4.573
   51   HE22  GLN   7          1HE2      GLN   7   8.706   4.283  -6.302
   52    H    ASP   8           H        ASP   8   5.705   3.840  -4.773
   53    HA   ASP   8           HA       ASP   8   5.498   2.773  -2.067
   54    HB2  ASP   8           1HB      ASP   8   5.204   1.378  -4.239
   55    HB3  ASP   8           2HB      ASP   8   6.939   1.735  -4.423
   56    H    GLU   9           H        GLU   9   6.789   3.326  -0.507
   57    HA   GLU   9           HA       GLU   9   9.507   4.280  -1.005
   58    HB2  GLU   9           1HB      GLU   9   8.009   3.579   1.524
   59    HB3  GLU   9           2HB      GLU   9   9.649   4.271   1.474
   60    HG2  GLU   9           1HG      GLU   9   8.625   6.314   0.257
   61    HG3  GLU   9           2HG      GLU   9   7.082   5.478   0.539
   62    H    ASN  10           H        ASN  10  11.433   3.361  -0.561
   63    HA   ASN  10           HA       ASN  10  11.535   0.442  -0.703
   64    HB2  ASN  10           1HB      ASN  10  13.409   2.170  -1.708
   65    HB3  ASN  10           2HB      ASN  10  13.621   2.212   0.059
   66   HD21  ASN  10          2HD2      ASN  10  15.377   1.332  -2.176
   67   HD22  ASN  10          1HD2      ASN  10  15.862  -0.278  -1.758
   68    HA   PRO  11           HA       PRO  11  11.102  -0.292   3.539
   69    HB2  PRO  11           1HB      PRO  11  12.169  -2.642   2.630
   70    HB3  PRO  11           2HB      PRO  11  10.858  -2.364   3.556
   71    HG2  PRO  11           1HG      PRO  11  10.976  -2.300   0.953
   72    HG3  PRO  11           2HG      PRO  11   9.760  -2.905   1.855
   73    HD2  PRO  11           1HD      PRO  11  12.013  -1.238  -0.063
   74    HD3  PRO  11           2HD      PRO  11  10.464  -1.224   0.448
   75    H    VAL  12           H        VAL  12  13.972  -0.891   1.738
   76    HA   VAL  12           HA       VAL  12  15.778  -1.121   4.000
   77    HB   VAL  12           HB       VAL  12  16.247  -0.260   1.116
   78   HG11  VAL  12          1HG1      VAL  12  18.638  -0.656   1.604
   79   HG12  VAL  12          2HG1      VAL  12  17.984   0.646   2.625
   80   HG13  VAL  12          3HG1      VAL  12  18.238  -0.979   3.307
   81   HG21  VAL  12          3HG2      VAL  12  15.470  -2.545   1.317
   82   HG22  VAL  12          1HG2      VAL  12  17.185  -2.500   0.849
   83   HG23  VAL  12          2HG2      VAL  12  16.732  -2.889   2.525
   84    H    VAL  13           H        VAL  13  14.649   1.642   2.094
   85    HA   VAL  13           HA       VAL  13  16.315   3.569   3.530
   86    HB   VAL  13           HB       VAL  13  13.776   3.903   1.880
   87   HG11  VAL  13          1HG1      VAL  13  14.356   6.305   1.861
   88   HG12  VAL  13          2HG1      VAL  13  14.046   5.735   3.518
   89   HG13  VAL  13          3HG1      VAL  13  15.718   5.986   2.960
   90   HG21  VAL  13          3HG2      VAL  13  15.651   3.083   0.583
   91   HG22  VAL  13          1HG2      VAL  13  15.283   4.773   0.165
   92   HG23  VAL  13          2HG2      VAL  13  16.678   4.397   1.204
   93    H    HIS  14           H        HIS  14  13.024   2.343   3.962
   94    HA   HIS  14           HA       HIS  14  12.325   4.037   6.153
   95    HB2  HIS  14           1HB      HIS  14  10.631   2.636   5.092
   96    HB3  HIS  14           2HB      HIS  14  11.522   1.160   5.533
   97    HD2  HIS  14           HD2      HIS  14  10.468  -0.020   7.844
   98    HE1  HIS  14           HE1      HIS  14   8.788   3.549   9.422
   99    HE2  HIS  14           HE2      HIS  14   9.115   0.957   9.708
  100    H    PHE  15           H        PHE  15  13.996   0.889   6.108
  101    HA   PHE  15           HA       PHE  15  14.484   0.737   8.920
  102    HB2  PHE  15           1HB      PHE  15  14.887  -1.171   7.412
  103    HB3  PHE  15           2HB      PHE  15  16.182  -0.268   6.595
  104    HD1  PHE  15           HD1      PHE  15  15.169  -1.692   9.871
  105    HD2  PHE  15           HD2      PHE  15  18.356  -0.353   7.361
  106    HE1  PHE  15           HE1      PHE  15  16.813  -2.605  11.475
  107    HE2  PHE  15           HE2      PHE  15  20.003  -1.266   8.962
  108    HZ   PHE  15           HZ       PHE  15  19.230  -2.391  11.021
  109    H    PHE  16           H        PHE  16  16.448   2.187   6.316
  110    HA   PHE  16           HA       PHE  16  18.524   3.230   7.944
  111    HB2  PHE  16           1HB      PHE  16  18.617   3.304   5.484
  112    HB3  PHE  16           2HB      PHE  16  17.247   4.437   5.451
  113    HD1  PHE  16           HD1      PHE  16  20.770   4.027   6.502
  114    HD2  PHE  16           HD2      PHE  16  17.558   6.730   5.711
  115    HE1  PHE  16           HE1      PHE  16  22.344   5.930   6.620
  116    HE2  PHE  16           HE2      PHE  16  19.130   8.635   5.825
  117    HZ   PHE  16           HZ       PHE  16  21.524   8.234   6.282
  118    H    LYS  17           H        LYS  17  15.353   4.643   7.148
  119    HA   LYS  17           HA       LYS  17  15.789   7.068   8.651
  120    HB2  LYS  17           1HB      LYS  17  13.312   5.612   7.735
  121    HB3  LYS  17           2HB      LYS  17  13.265   7.152   8.625
  122    HG2  LYS  17           1HG      LYS  17  14.559   8.228   6.823
  123    HG3  LYS  17           2HG      LYS  17  14.589   6.688   5.931
  124    HD2  LYS  17           1HD      LYS  17  12.138   6.711   5.785
  125    HD3  LYS  17           2HD      LYS  17  12.091   8.233   6.704
  126    HE2  LYS  17           1HE      LYS  17  13.353   9.359   4.933
  127    HE3  LYS  17           2HE      LYS  17  13.444   7.837   4.018
  128    HZ1  LYS  17           3HZ      LYS  17  10.965   9.287   4.695
  129    HZ2  LYS  17           1HZ      LYS  17  11.684   9.259   3.210
  130    HZ3  LYS  17           2HZ      LYS  17  11.047   7.875   3.845
  131    H    ASN  18           H        ASN  18  14.557   3.877   9.506
  132    HA   ASN  18           HA       ASN  18  13.549   4.542  12.099
  133    HB2  ASN  18           1HB      ASN  18  14.662   1.789  11.167
  134    HB3  ASN  18           2HB      ASN  18  14.023   2.439  12.696
  135   HD21  ASN  18          2HD2      ASN  18  13.034   0.337  10.872
  136   HD22  ASN  18          1HD2      ASN  18  11.409   0.793  10.480
  137    H    ILE  19           H        ILE  19  16.819   3.861  10.960
  138    HA   ILE  19           HA       ILE  19  17.945   4.009  13.683
  139    HB   ILE  19           HB       ILE  19  19.223   4.007  10.910
  140   HG12  ILE  19          1HG1      ILE  19  19.234   1.887  13.039
  141   HG13  ILE  19          2HG1      ILE  19  18.089   1.943  11.679
  142   HG21  ILE  19          1HG2      ILE  19  21.362   3.699  12.107
  143   HG22  ILE  19          2HG2      ILE  19  20.611   5.254  12.532
  144   HG23  ILE  19          3HG2      ILE  19  20.520   3.884  13.663
  145   HD11  ILE  19          3HD1      ILE  19  21.111   1.728  11.451
  146   HD12  ILE  19          1HD1      ILE  19  19.952   0.401  11.210
  147   HD13  ILE  19          2HD1      ILE  19  19.967   1.785  10.091
  148    H    VAL  20           H        VAL  20  17.624   6.182  10.909
  149    HA   VAL  20           HA       VAL  20  19.241   8.237  12.365
  150    HB   VAL  20           HB       VAL  20  18.113   8.193   9.533
  151   HG11  VAL  20          1HG1      VAL  20  19.562  10.166   9.189
  152   HG12  VAL  20          2HG1      VAL  20  18.346  10.476  10.451
  153   HG13  VAL  20          3HG1      VAL  20  20.029  10.121  10.905
  154   HG21  VAL  20          3HG2      VAL  20  19.852   6.532   9.827
  155   HG22  VAL  20          1HG2      VAL  20  20.432   7.887   8.828
  156   HG23  VAL  20          2HG2      VAL  20  20.931   7.760  10.532
  157    H    THR  21           H        THR  21  16.144   8.178  10.576
  158    HA   THR  21           HA       THR  21  15.464  10.780  11.752
  159    HB   THR  21           HB       THR  21  13.835   8.899   9.992
  160    HG1  THR  21           HG1      THR  21  14.444  10.454   8.370
  161   HG21  THR  21          1HG2      THR  21  12.426  10.887   9.586
  162   HG22  THR  21          2HG2      THR  21  12.429  10.445  11.311
  163   HG23  THR  21          3HG2      THR  21  13.406  11.819  10.742
  164    HA   PRO  22           HA       PRO  22  13.471   9.090  15.203
  165    HB2  PRO  22           1HB      PRO  22  12.737  11.308  16.126
  166    HB3  PRO  22           2HB      PRO  22  14.285  10.802  16.167
  167    HG2  PRO  22           1HG      PRO  22  13.270  12.603  14.581
  168    HG3  PRO  22           2HG      PRO  22  14.731  12.658  15.304
  169    HD2  PRO  22           1HD      PRO  22  14.660  11.951  12.944
  170    HD3  PRO  22           2HD      PRO  22  15.674  11.209  13.985
  171    H    ARG  23           H        ARG  23  11.452   8.405  15.739
  172    HA   ARG  23           HA       ARG  23   9.170   8.084  15.421
  173    HB2  ARG  23           1HB      ARG  23   9.221  11.043  15.034
  174    HB3  ARG  23           2HB      ARG  23   7.773  10.033  15.255
  175    HG2  ARG  23           1HG      ARG  23   8.691   9.329  17.478
  176    HG3  ARG  23           2HG      ARG  23  10.003  10.513  17.254
  177    HD2  ARG  23           1HD      ARG  23   8.235  12.258  17.053
  178    HD3  ARG  23           2HD      ARG  23   7.068  11.021  17.574
  179    HE   ARG  23           HE       ARG  23   9.141  11.269  19.607
  180   HH11  ARG  23          1HH1      ARG  23   6.456  13.074  18.308
  181   HH12  ARG  23          2HH1      ARG  23   6.217  13.848  19.862
  182   HH21  ARG  23          1HH2      ARG  23   8.886  12.153  21.389
  183   HH22  ARG  23          2HH2      ARG  23   7.603  13.324  21.620
  184    H    THR  24           H        THR  24  10.486   7.216  13.308
  185    HA   THR  24           HA       THR  24   9.413   8.434  10.850
  186    HB   THR  24           HB       THR  24  10.934   5.832  11.302
  187    HG1  THR  24           HG1      THR  24  12.196   7.686  11.716
  188   HG21  THR  24          1HG2      THR  24  11.285   5.885   8.858
  189   HG22  THR  24          2HG2      THR  24   9.552   5.785   9.254
  190   HG23  THR  24          3HG2      THR  24  10.260   7.335   8.742
  191    HA   PRO  25           HA       PRO  25   5.739   6.158  11.086
  192    HB2  PRO  25           1HB      PRO  25   4.699   7.196   9.059
  193    HB3  PRO  25           2HB      PRO  25   4.904   8.017  10.452
  194    HG2  PRO  25           1HG      PRO  25   6.290   8.281   8.262
  195    HG3  PRO  25           2HG      PRO  25   5.802   9.481   9.252
  196    HD2  PRO  25           1HD      PRO  25   8.124   8.743   9.561
  197    HD3  PRO  25           2HD      PRO  25   7.228   9.085  10.881
  198    HA   PRO  26           HA       PRO  26   5.968   2.804   8.400
  199    HB2  PRO  26           1HB      PRO  26   3.336   3.276   7.852
  200    HB3  PRO  26           2HB      PRO  26   4.080   1.932   8.394
  201    HG2  PRO  26           1HG      PRO  26   3.208   3.925   9.829
  202    HG3  PRO  26           2HG      PRO  26   3.114   2.342  10.208
  203    HD2  PRO  26           1HD      PRO  26   3.764   5.581   9.860
  204    HD3  PRO  26           2HD      PRO  26   4.160   4.260  10.732
  205    HA   PRO  27           HA       PRO  27   6.730   4.501   4.560
  206    HB2  PRO  27           1HB      PRO  27   7.139   2.374   3.271
  207    HB3  PRO  27           2HB      PRO  27   8.166   2.949   4.399
  208    HG2  PRO  27           1HG      PRO  27   6.529   0.937   4.653
  209    HG3  PRO  27           2HG      PRO  27   8.053   1.027   5.227
  210    HD2  PRO  27           1HD      PRO  27   6.166   1.423   6.775
  211    HD3  PRO  27           2HD      PRO  27   7.533   2.309   6.879
  212    H    SER  28           H        SER  28   5.647   5.251   2.819
  213    HA   SER  28           HA       SER  28   2.886   4.385   2.375
  214    HB2  SER  28           1HB      SER  28   2.813   5.928   0.677
  215    HB3  SER  28           2HB      SER  28   3.585   6.628   2.118
  216    HG   SER  28           HG       SER  28   4.734   5.896  -0.343
  217    H    GLN  29           H        GLN  29   2.064   3.537   0.380
  218    HA   GLN  29           HA       GLN  29   3.953   1.497  -0.748
  219    HB2  GLN  29           1HB      GLN  29   0.971   1.272  -0.301
  220    HB3  GLN  29           2HB      GLN  29   2.059   0.006  -0.916
  221    HG2  GLN  29           1HG      GLN  29   2.058   0.999   2.067
  222    HG3  GLN  29           2HG      GLN  29   1.451  -0.407   1.162
  223   HE21  GLN  29          2HE2      GLN  29   4.091   0.994   2.811
  224   HE22  GLN  29          1HE2      GLN  29   5.286  -0.196   2.417
  225    H    GLY  30           H        GLY  30   3.014   0.473  -2.794
  226    HA2  GLY  30           1HA      GLY  30   2.747   2.692  -4.700
  227    HA3  GLY  30           2HA      GLY  30   2.977   0.970  -5.086
  228    H    LYS  31           H        LYS  31   1.324   1.460  -6.742
  229    HA   LYS  31           HA       LYS  31  -1.343   2.251  -6.081
  230    HB2  LYS  31           1HB      LYS  31  -0.391   2.269  -8.346
  231    HB3  LYS  31           2HB      LYS  31  -0.362   0.490  -8.333
  232    HG2  LYS  31           1HG      LYS  31  -2.805   0.432  -8.170
  233    HG3  LYS  31           2HG      LYS  31  -2.857   2.210  -8.131
  234    HD2  LYS  31           1HD      LYS  31  -1.878   2.308 -10.375
  235    HD3  LYS  31           2HD      LYS  31  -1.767   0.531 -10.415
  236    HE2  LYS  31           1HE      LYS  31  -4.211   0.372 -10.226
  237    HE3  LYS  31           2HE      LYS  31  -4.325   2.146 -10.184
  238    HZ1  LYS  31           3HZ      LYS  31  -3.279   0.547 -12.432
  239    HZ2  LYS  31           1HZ      LYS  31  -4.758   1.279 -12.381
  240    HZ3  LYS  31           2HZ      LYS  31  -3.385   2.193 -12.394
  241    H    GLY  32           H        GLY  32  -2.878   1.323  -5.000
  242    HA2  GLY  32           1HA      GLY  32  -2.805  -1.641  -4.678
  243    HA3  GLY  32           2HA      GLY  32  -3.700  -0.500  -3.647
  244    H    ARG  33           H        ARG  33  -5.746  -1.255  -3.854
  245    HA   ARG  33           HA       ARG  33  -7.030  -0.775  -6.487
  246    HB2  ARG  33           1HB      ARG  33  -6.430  -3.116  -6.517
  247    HB3  ARG  33           2HB      ARG  33  -7.384  -3.359  -5.035
  248    HG2  ARG  33           1HG      ARG  33  -9.421  -2.723  -6.200
  249    HG3  ARG  33           2HG      ARG  33  -8.493  -2.357  -7.675
  250    HD2  ARG  33           1HD      ARG  33  -7.872  -4.695  -7.849
  251    HD3  ARG  33           2HD      ARG  33  -8.834  -5.050  -6.394
  252    HE   ARG  33           HE       ARG  33 -10.627  -3.940  -8.377
  253   HH11  ARG  33          1HH1      ARG  33  -8.673  -6.795  -7.943
  254   HH12  ARG  33          2HH1      ARG  33  -9.808  -7.726  -8.902
  255   HH21  ARG  33          1HH2      ARG  33 -11.932  -4.990  -9.483
  256   HH22  ARG  33          2HH2      ARG  33 -11.667  -6.696  -9.782
  257    H    GLY  34           H        GLY  34  -8.553   0.618  -6.149
  258    HA2  GLY  34           1HA      GLY  34  -9.566   1.234  -3.544
  259    HA3  GLY  34           2HA      GLY  34 -10.225   1.815  -5.091
  260    H    LEU  35           H        LEU  35 -10.457  -1.132  -5.907
  261    HA   LEU  35           HA       LEU  35 -13.208  -1.441  -4.877
  262    HB2  LEU  35           1HB      LEU  35 -11.533  -2.955  -6.773
  263    HB3  LEU  35           2HB      LEU  35 -13.253  -3.360  -6.572
  264    HG   LEU  35           HG       LEU  35 -12.107  -0.770  -7.686
  265   HD11  LEU  35          1HD1      LEU  35 -13.246  -1.499  -9.800
  266   HD12  LEU  35          2HD1      LEU  35 -12.031  -2.690  -9.276
  267   HD13  LEU  35          3HD1      LEU  35 -13.761  -2.995  -8.988
  268   HD21  LEU  35          3HD2      LEU  35 -14.098  -0.335  -6.372
  269   HD22  LEU  35          1HD2      LEU  35 -14.455  -0.127  -8.103
  270   HD23  LEU  35          2HD2      LEU  35 -14.991  -1.598  -7.252
  271    H    SER  36           H        SER  36 -10.095  -2.572  -4.096
  272    HA   SER  36           HA       SER  36 -10.757  -5.240  -3.101
  273    HB2  SER  36           1HB      SER  36  -8.595  -4.726  -3.770
  274    HB3  SER  36           2HB      SER  36  -8.469  -3.455  -2.532
  275    HG   SER  36           HG       SER  36  -7.559  -5.446  -1.858
  Start of MODEL    6
    1    H1   SER   1           H        SER   1   9.374  15.079  13.031
    2    HA   SER   1           HA       SER   1   8.591  14.230  10.199
    3    HB2  SER   1           1HB      SER   1  10.881  14.430  10.036
    4    HB3  SER   1           2HB      SER   1  11.138  13.033  11.107
    5    HG   SER   1           HG       SER   1   9.959  11.796   9.525
    6    H    GLN   2           H        GLN   2   6.777  13.006  10.327
    7    HA   GLN   2           HA       GLN   2   6.613  10.653  12.065
    8    HB2  GLN   2           1HB      GLN   2   4.820  11.712   9.869
    9    HB3  GLN   2           2HB      GLN   2   4.446  10.311  10.900
   10    HG2  GLN   2           1HG      GLN   2   4.509  12.091  12.972
   11    HG3  GLN   2           2HG      GLN   2   4.854  13.095  11.543
   12   HE21  GLN   2          2HE2      GLN   2   2.731  13.560  13.357
   13   HE22  GLN   2          1HE2      GLN   2   1.237  13.331  12.510
   14    H    HIS   3           H        HIS   3   5.945   8.537  11.238
   15    HA   HIS   3           HA       HIS   3   8.018   7.552   9.490
   16    HB2  HIS   3           1HB      HIS   3   5.506   6.247  10.621
   17    HB3  HIS   3           2HB      HIS   3   6.732   5.379   9.668
   18    HD2  HIS   3           HD2      HIS   3   9.048   7.405  11.745
   19    HE1  HIS   3           HE1      HIS   3   7.783   4.239  14.279
   20    HE2  HIS   3           HE2      HIS   3   9.521   6.167  13.865
   21    H    GLY   4           H        GLY   4   7.962   6.676   7.468
   22    HA2  GLY   4           1HA      GLY   4   5.937   7.907   5.708
   23    HA3  GLY   4           2HA      GLY   4   7.436   7.094   5.204
   24    H    ARG   5           H        ARG   5   5.368   6.452   3.724
   25    HA   ARG   5           HA       ARG   5   3.964   4.100   4.872
   26    HB2  ARG   5           1HB      ARG   5   2.676   5.713   3.654
   27    HB3  ARG   5           2HB      ARG   5   3.662   5.408   2.206
   28    HG2  ARG   5           1HG      ARG   5   2.900   3.056   2.204
   29    HG3  ARG   5           2HG      ARG   5   1.874   3.405   3.617
   30    HD2  ARG   5           1HD      ARG   5   0.602   4.983   2.299
   31    HD3  ARG   5           2HD      ARG   5   1.627   4.633   0.889
   32    HE   ARG   5           HE       ARG   5   0.242   2.202   1.806
   33   HH11  ARG   5          1HH1      ARG   5  -0.243   5.142  -0.005
   34   HH12  ARG   5          2HH1      ARG   5  -1.501   4.362  -0.945
   35   HH21  ARG   5          1HH2      ARG   5  -1.202   1.298   0.744
   36   HH22  ARG   5          2HH2      ARG   5  -2.049   2.171  -0.519
   37    H    THR   6           H        THR   6   4.278   2.046   4.371
   38    HA   THR   6           HA       THR   6   6.891   1.326   3.383
   39    HB   THR   6           HB       THR   6   4.450  -0.455   3.773
   40    HG1  THR   6           HG1      THR   6   5.071   0.691   5.687
   41   HG21  THR   6          1HG2      THR   6   6.134  -2.242   4.041
   42   HG22  THR   6          2HG2      THR   6   6.258  -1.480   2.436
   43   HG23  THR   6          3HG2      THR   6   7.430  -1.069   3.711
   44    H    GLN   7           H        GLN   7   3.692   1.424   1.904
   45    HA   GLN   7           HA       GLN   7   4.470   0.076  -0.531
   46    HB2  GLN   7           1HB      GLN   7   2.136   0.401   0.245
   47    HB3  GLN   7           2HB      GLN   7   2.312   2.145  -0.063
   48    HG2  GLN   7           1HG      GLN   7   1.195   1.198  -2.203
   49    HG3  GLN   7           2HG      GLN   7   2.919   1.637  -2.243
   50   HE21  GLN   7          2HE2      GLN   7   3.236   0.305  -4.073
   51   HE22  GLN   7          1HE2      GLN   7   3.309  -1.420  -3.932
   52    H    ASP   8           H        ASP   8   4.682   3.404   0.583
   53    HA   ASP   8           HA       ASP   8   5.164   4.454  -2.111
   54    HB2  ASP   8           1HB      ASP   8   5.359   5.772   0.664
   55    HB3  ASP   8           2HB      ASP   8   5.760   6.451  -0.933
   56    H    GLU   9           H        GLU   9   7.131   3.638   0.721
   57    HA   GLU   9           HA       GLU   9   9.565   4.122  -0.967
   58    HB2  GLU   9           1HB      GLU   9   9.153   4.743   1.963
   59    HB3  GLU   9           2HB      GLU   9  10.709   4.820   1.101
   60    HG2  GLU   9           1HG      GLU   9   9.710   6.655  -0.385
   61    HG3  GLU   9           2HG      GLU   9   8.250   6.444   0.607
   62    H    ASN  10           H        ASN  10  11.403   2.886  -0.497
   63    HA   ASN  10           HA       ASN  10  10.697   0.109  -0.114
   64    HB2  ASN  10           1HB      ASN  10  13.566   1.289  -0.365
   65    HB3  ASN  10           2HB      ASN  10  12.858  -0.331  -0.149
   66   HD21  ASN  10          2HD2      ASN  10  14.424   0.981  -2.343
   67   HD22  ASN  10          1HD2      ASN  10  13.491   0.701  -3.775
   68    HA   PRO  11           HA       PRO  11  11.160  -0.448   4.115
   69    HB2  PRO  11           1HB      PRO  11  11.947  -2.856   4.037
   70    HB3  PRO  11           2HB      PRO  11  10.412  -2.391   3.755
   71    HG2  PRO  11           1HG      PRO  11  12.176  -3.117   1.980
   72    HG3  PRO  11           2HG      PRO  11  10.589  -3.491   1.981
   73    HD2  PRO  11           1HD      PRO  11  11.523  -1.709   0.513
   74    HD3  PRO  11           2HD      PRO  11  10.062  -1.582   1.228
   75    H    VAL  12           H        VAL  12  13.721  -1.154   1.961
   76    HA   VAL  12           HA       VAL  12  15.858  -1.170   3.943
   77    HB   VAL  12           HB       VAL  12  15.851  -0.504   0.970
   78   HG11  VAL  12          1HG1      VAL  12  18.305  -0.768   1.119
   79   HG12  VAL  12          2HG1      VAL  12  17.741   0.577   2.140
   80   HG13  VAL  12          3HG1      VAL  12  18.175  -0.983   2.881
   81   HG21  VAL  12          3HG2      VAL  12  15.227  -2.798   1.433
   82   HG22  VAL  12          1HG2      VAL  12  16.851  -2.718   0.711
   83   HG23  VAL  12          2HG2      VAL  12  16.669  -3.004   2.457
   84    H    VAL  13           H        VAL  13  14.374   1.396   1.987
   85    HA   VAL  13           HA       VAL  13  15.998   3.532   3.084
   86    HB   VAL  13           HB       VAL  13  13.178   3.522   1.931
   87   HG11  VAL  13          1HG1      VAL  13  13.461   5.972   1.756
   88   HG12  VAL  13          2HG1      VAL  13  13.522   5.440   3.453
   89   HG13  VAL  13          3HG1      VAL  13  15.026   5.853   2.594
   90   HG21  VAL  13          3HG2      VAL  13  14.874   2.864   0.331
   91   HG22  VAL  13          1HG2      VAL  13  14.242   4.482  -0.048
   92   HG23  VAL  13          2HG2      VAL  13  15.835   4.309   0.725
   93    H    HIS  14           H        HIS  14  12.946   2.071   4.137
   94    HA   HIS  14           HA       HIS  14  12.560   3.896   6.336
   95    HB2  HIS  14           1HB      HIS  14  11.544   1.071   5.807
   96    HB3  HIS  14           2HB      HIS  14  11.057   2.047   7.214
   97    HD2  HIS  14           HD2      HIS  14   9.469   1.218   3.939
   98    HE1  HIS  14           HE1      HIS  14   8.530   5.300   4.647
   99    HE2  HIS  14           HE2      HIS  14   8.000   3.127   3.266
  100    H    PHE  15           H        PHE  15  14.293   0.830   6.012
  101    HA   PHE  15           HA       PHE  15  14.936   0.426   8.751
  102    HB2  PHE  15           1HB      PHE  15  15.436  -1.268   7.050
  103    HB3  PHE  15           2HB      PHE  15  16.584  -0.168   6.255
  104    HD1  PHE  15           HD1      PHE  15  15.934  -1.951   9.453
  105    HD2  PHE  15           HD2      PHE  15  18.806  -0.164   6.842
  106    HE1  PHE  15           HE1      PHE  15  17.763  -2.851  10.851
  107    HE2  PHE  15           HE2      PHE  15  20.638  -1.065   8.237
  108    HZ   PHE  15           HZ       PHE  15  20.115  -2.407  10.243
  109    H    PHE  16           H        PHE  16  16.785   2.225   6.273
  110    HA   PHE  16           HA       PHE  16  18.771   3.249   8.037
  111    HB2  PHE  16           1HB      PHE  16  18.994   3.443   5.603
  112    HB3  PHE  16           2HB      PHE  16  17.558   4.487   5.528
  113    HD1  PHE  16           HD1      PHE  16  21.036   4.269   6.771
  114    HD2  PHE  16           HD2      PHE  16  17.702   6.784   5.869
  115    HE1  PHE  16           HE1      PHE  16  22.472   6.264   7.036
  116    HE2  PHE  16           HE2      PHE  16  19.135   8.781   6.131
  117    HZ   PHE  16           HZ       PHE  16  21.521   8.521   6.716
  118    H    LYS  17           H        LYS  17  15.603   4.610   7.127
  119    HA   LYS  17           HA       LYS  17  15.971   7.044   8.625
  120    HB2  LYS  17           1HB      LYS  17  13.540   5.593   7.589
  121    HB3  LYS  17           2HB      LYS  17  13.450   7.141   8.463
  122    HG2  LYS  17           1HG      LYS  17  14.884   8.177   6.723
  123    HG3  LYS  17           2HG      LYS  17  14.887   6.635   5.836
  124    HD2  LYS  17           1HD      LYS  17  12.489   6.749   5.518
  125    HD3  LYS  17           2HD      LYS  17  12.385   8.199   6.544
  126    HE2  LYS  17           1HE      LYS  17  13.787   9.429   4.932
  127    HE3  LYS  17           2HE      LYS  17  13.854   7.984   3.899
  128    HZ1  LYS  17           3HZ      LYS  17  11.407   9.468   4.611
  129    HZ2  LYS  17           1HZ      LYS  17  12.176   9.531   3.154
  130    HZ3  LYS  17           2HZ      LYS  17  11.468   8.127   3.653
  131    H    ASN  18           H        ASN  18  14.846   3.845   9.491
  132    HA   ASN  18           HA       ASN  18  13.697   4.691  12.042
  133    HB2  ASN  18           1HB      ASN  18  14.340   1.802  11.080
  134    HB3  ASN  18           2HB      ASN  18  13.792   2.530  12.609
  135   HD21  ASN  18          2HD2      ASN  18  12.510   0.663  10.685
  136   HD22  ASN  18          1HD2      ASN  18  10.990   1.394  10.292
  137    H    ILE  19           H        ILE  19  16.862   4.247  10.901
  138    HA   ILE  19           HA       ILE  19  17.951   3.787  13.637
  139    HB   ILE  19           HB       ILE  19  19.288   4.132  10.915
  140   HG12  ILE  19          1HG1      ILE  19  19.198   1.716  12.696
  141   HG13  ILE  19          2HG1      ILE  19  18.037   2.026  11.385
  142   HG21  ILE  19          1HG2      ILE  19  21.384   3.553  12.092
  143   HG22  ILE  19          2HG2      ILE  19  20.686   5.060  12.731
  144   HG23  ILE  19          3HG2      ILE  19  20.511   3.543  13.643
  145   HD11  ILE  19          3HD1      ILE  19  21.045   1.728  11.064
  146   HD12  ILE  19          1HD1      ILE  19  19.827   0.502  10.647
  147   HD13  ILE  19          2HD1      ILE  19  19.883   2.039   9.752
  148    H    VAL  20           H        VAL  20  17.820   6.324  11.171
  149    HA   VAL  20           HA       VAL  20  19.371   8.142  12.960
  150    HB   VAL  20           HB       VAL  20  19.312   9.696  11.079
  151   HG11  VAL  20          1HG1      VAL  20  20.526   8.361   9.390
  152   HG12  VAL  20          2HG1      VAL  20  21.042   7.932  11.038
  153   HG13  VAL  20          3HG1      VAL  20  19.932   6.864  10.147
  154   HG21  VAL  20          3HG2      VAL  20  17.057   9.269  10.304
  155   HG22  VAL  20          1HG2      VAL  20  18.222   9.134   8.966
  156   HG23  VAL  20          2HG2      VAL  20  17.546   7.665   9.708
  157    H    THR  21           H        THR  21  16.126   7.343  12.326
  158    HA   THR  21           HA       THR  21  15.325   9.788  13.867
  159    HB   THR  21           HB       THR  21  13.702   8.375  11.708
  160    HG1  THR  21           HG1      THR  21  14.008  10.405  10.613
  161   HG21  THR  21          1HG2      THR  21  12.104  10.226  12.059
  162   HG22  THR  21          2HG2      THR  21  12.328   9.282  13.551
  163   HG23  THR  21          3HG2      THR  21  13.127  10.861  13.368
  164    HA   PRO  22           HA       PRO  22  13.915   6.888  16.711
  165    HB2  PRO  22           1HB      PRO  22  12.735   8.556  18.188
  166    HB3  PRO  22           2HB      PRO  22  14.358   8.426  18.103
  167    HG2  PRO  22           1HG      PRO  22  12.878  10.289  17.038
  168    HG3  PRO  22           2HG      PRO  22  14.328  10.492  17.757
  169    HD2  PRO  22           1HD      PRO  22  14.210  10.434  15.288
  170    HD3  PRO  22           2HD      PRO  22  15.448   9.730  16.083
  171    H    ARG  23           H        ARG  23  11.823   6.311  17.915
  172    HA   ARG  23           HA       ARG  23   9.867   5.744  15.909
  173    HB2  ARG  23           1HB      ARG  23   9.711   5.641  18.884
  174    HB3  ARG  23           2HB      ARG  23   8.398   5.148  17.789
  175    HG2  ARG  23           1HG      ARG  23   9.850   3.445  16.795
  176    HG3  ARG  23           2HG      ARG  23  11.186   3.951  17.857
  177    HD2  ARG  23           1HD      ARG  23   8.566   2.921  18.878
  178    HD3  ARG  23           2HD      ARG  23   9.957   1.877  18.501
  179    HE   ARG  23           HE       ARG  23  10.877   3.792  20.439
  180   HH11  ARG  23          1HH1      ARG  23   8.472   1.271  20.301
  181   HH12  ARG  23          2HH1      ARG  23   8.668   0.981  22.018
  182   HH21  ARG  23          1HH2      ARG  23  11.107   3.477  22.408
  183   HH22  ARG  23          2HH2      ARG  23  10.170   2.239  23.221
  184    H    THR  24           H        THR  24   8.520   6.994  14.914
  185    HA   THR  24           HA       THR  24   7.193   9.171  16.492
  186    HB   THR  24           HB       THR  24   7.127  10.553  14.450
  187    HG1  THR  24           HG1      THR  24   8.442   9.860  12.655
  188   HG21  THR  24          1HG2      THR  24   9.518  11.160  14.351
  189   HG22  THR  24          2HG2      THR  24   9.003  10.861  16.028
  190   HG23  THR  24          3HG2      THR  24   9.941   9.629  15.152
  191    HA   PRO  25           HA       PRO  25   3.328   7.892  15.351
  192    HB2  PRO  25           1HB      PRO  25   3.034  10.287  14.059
  193    HB3  PRO  25           2HB      PRO  25   2.101   9.573  15.188
  194    HG2  PRO  25           1HG      PRO  25   3.241  11.736  15.890
  195    HG3  PRO  25           2HG      PRO  25   3.313  10.245  16.912
  196    HD2  PRO  25           1HD      PRO  25   5.265  11.008  14.494
  197    HD3  PRO  25           2HD      PRO  25   5.795  10.700  16.199
  198    HA   PRO  26           HA       PRO  26   3.615   6.185  11.438
  199    HB2  PRO  26           1HB      PRO  26   1.345   5.110  11.321
  200    HB3  PRO  26           2HB      PRO  26   2.526   4.583  12.314
  201    HG2  PRO  26           1HG      PRO  26   0.404   5.939  12.987
  202    HG3  PRO  26           2HG      PRO  26   1.072   4.705  13.819
  203    HD2  PRO  26           1HD      PRO  26   1.571   6.997  14.579
  204    HD3  PRO  26           2HD      PRO  26   2.740   5.859  14.594
  205    HA   PRO  27           HA       PRO  27   1.673   8.693   8.547
  206    HB2  PRO  27           1HB      PRO  27   1.438   7.159   6.580
  207    HB3  PRO  27           2HB      PRO  27   2.885   7.671   7.125
  208    HG2  PRO  27           1HG      PRO  27   1.846   5.301   7.434
  209    HG3  PRO  27           2HG      PRO  27   3.409   5.643   7.116
  210    HD2  PRO  27           1HD      PRO  27   2.857   5.164   9.465
  211    HD3  PRO  27           2HD      PRO  27   3.917   6.357   9.122
  212    H    SER  28           H        SER  28  -0.247   9.082   7.169
  213    HA   SER  28           HA       SER  28  -2.733   8.289   8.358
  214    HB2  SER  28           1HB      SER  28  -2.562  10.206   7.079
  215    HB3  SER  28           2HB      SER  28  -2.143   9.264   5.630
  216    HG   SER  28           HG       SER  28  -4.368   9.800   5.729
  217    H    GLN  29           H        GLN  29  -4.255   6.760   7.781
  218    HA   GLN  29           HA       GLN  29  -3.404   4.159   7.274
  219    HB2  GLN  29           1HB      GLN  29  -5.650   4.886   8.088
  220    HB3  GLN  29           2HB      GLN  29  -6.052   5.338   6.415
  221    HG2  GLN  29           1HG      GLN  29  -5.713   2.702   5.828
  222    HG3  GLN  29           2HG      GLN  29  -5.349   2.785   7.567
  223   HE21  GLN  29          2HE2      GLN  29  -6.951   2.190   8.861
  224   HE22  GLN  29          1HE2      GLN  29  -8.642   2.283   8.499
  225    H    GLY  30           H        GLY  30  -2.479   3.177   5.678
  226    HA2  GLY  30           1HA      GLY  30  -2.485   4.401   3.005
  227    HA3  GLY  30           2HA      GLY  30  -1.547   2.983   3.532
  228    H    LYS  31           H        LYS  31  -4.030   0.590   2.687
  229    HA   LYS  31           HA       LYS  31  -1.997   1.538   4.660
  230    HB2  LYS  31           1HB      LYS  31  -3.287  -1.162   4.238
  231    HB3  LYS  31           2HB      LYS  31  -2.070  -0.780   5.478
  232    HG2  LYS  31           1HG      LYS  31  -3.622   0.827   6.510
  233    HG3  LYS  31           2HG      LYS  31  -4.839   0.451   5.268
  234    HD2  LYS  31           1HD      LYS  31  -4.921  -1.877   6.028
  235    HD3  LYS  31           2HD      LYS  31  -3.668  -1.535   7.244
  236    HE2  LYS  31           1HE      LYS  31  -5.168   0.109   8.310
  237    HE3  LYS  31           2HE      LYS  31  -6.425  -0.276   7.111
  238    HZ1  LYS  31           3HZ      LYS  31  -5.278  -2.170   9.061
  239    HZ2  LYS  31           1HZ      LYS  31  -6.765  -1.466   9.170
  240    HZ3  LYS  31           2HZ      LYS  31  -6.443  -2.527   7.950
  241    H    GLY  32           H        GLY  32   0.026   0.471   4.849
  242    HA2  GLY  32           1HA      GLY  32   1.126  -0.196   2.172
  243    HA3  GLY  32           2HA      GLY  32   2.060   0.264   3.615
  244    H    ARG  33           H        ARG  33   3.358  -1.637   2.926
  245    HA   ARG  33           HA       ARG  33   2.183  -4.295   3.373
  246    HB2  ARG  33           1HB      ARG  33   4.992  -3.430   2.853
  247    HB3  ARG  33           2HB      ARG  33   4.455  -5.110   3.086
  248    HG2  ARG  33           1HG      ARG  33   3.222  -5.117   1.078
  249    HG3  ARG  33           2HG      ARG  33   3.258  -3.342   0.952
  250    HD2  ARG  33           1HD      ARG  33   5.666  -5.113   0.700
  251    HD3  ARG  33           2HD      ARG  33   4.679  -4.541  -0.665
  252    HE   ARG  33           HE       ARG  33   5.652  -2.200   0.714
  253   HH11  ARG  33          1HH1      ARG  33   6.990  -4.884  -1.066
  254   HH12  ARG  33          2HH1      ARG  33   8.323  -3.875  -1.595
  255   HH21  ARG  33          1HH2      ARG  33   7.177  -1.036   0.124
  256   HH22  ARG  33          2HH2      ARG  33   8.431  -1.682  -0.917
  257    H    GLY  34           H        GLY  34   3.751  -1.866   5.272
  258    HA2  GLY  34           1HA      GLY  34   3.590  -1.793   7.622
  259    HA3  GLY  34           2HA      GLY  34   3.174  -3.523   7.640
  260    H    LEU  35           H        LEU  35   5.948  -1.880   6.116
  261    HA   LEU  35           HA       LEU  35   7.753  -3.438   7.936
  262    HB2  LEU  35           1HB      LEU  35   8.152  -2.382   5.213
  263    HB3  LEU  35           2HB      LEU  35   9.428  -3.303   6.040
  264    HG   LEU  35           HG       LEU  35   6.722  -4.364   5.141
  265   HD11  LEU  35          1HD1      LEU  35   8.091  -5.768   3.575
  266   HD12  LEU  35          2HD1      LEU  35   8.342  -4.033   3.275
  267   HD13  LEU  35          3HD1      LEU  35   9.563  -4.967   4.170
  268   HD21  LEU  35          3HD2      LEU  35   7.426  -5.401   7.216
  269   HD22  LEU  35          1HD2      LEU  35   7.560  -6.567   5.879
  270   HD23  LEU  35          2HD2      LEU  35   9.020  -5.777   6.521
  271    H    SER  36           H        SER  36   6.744  -0.337   6.907
  272    HA   SER  36           HA       SER  36   9.061   1.287   7.387
  273    HB2  SER  36           1HB      SER  36   7.174   2.105   6.302
  274    HB3  SER  36           2HB      SER  36   6.195   1.911   7.774
  275    HG   SER  36           HG       SER  36   7.044   4.043   7.471
  Start of MODEL    7
    1    H1   SER   1           H        SER   1  -1.677  -1.542   9.740
    2    HA   SER   1           HA       SER   1  -3.343   0.735   8.557
    3    HB2  SER   1           1HB      SER   1  -1.820   1.879   9.842
    4    HB3  SER   1           2HB      SER   1  -0.470   1.388   8.794
    5    HG   SER   1           HG       SER   1  -1.533   2.513   7.092
    6    H    GLN   2           H        GLN   2  -3.998   0.719   6.506
    7    HA   GLN   2           HA       GLN   2  -2.517  -0.653   4.405
    8    HB2  GLN   2           1HB      GLN   2  -4.952  -0.568   4.423
    9    HB3  GLN   2           2HB      GLN   2  -4.902   1.208   4.329
   10    HG2  GLN   2           1HG      GLN   2  -5.248   0.514   1.882
   11    HG3  GLN   2           2HG      GLN   2  -3.590   0.925   2.377
   12   HE21  GLN   2          2HE2      GLN   2  -2.499  -0.259   0.861
   13   HE22  GLN   2          1HE2      GLN   2  -2.551  -1.989   0.770
   14    H    HIS   3           H        HIS   3  -1.064   0.042   3.052
   15    HA   HIS   3           HA       HIS   3  -0.574   2.999   2.937
   16    HB2  HIS   3           1HB      HIS   3   1.408   0.737   2.420
   17    HB3  HIS   3           2HB      HIS   3   1.761   2.481   2.439
   18    HD2  HIS   3           HD2      HIS   3   1.564  -0.528   4.967
   19    HE1  HIS   3           HE1      HIS   3   2.107   3.098   7.113
   20    HE2  HIS   3           HE2      HIS   3   2.081   0.470   7.201
   21    H    GLY   4           H        GLY   4   0.579   3.666   0.891
   22    HA2  GLY   4           1HA      GLY   4  -1.260   3.064  -1.275
   23    HA3  GLY   4           2HA      GLY   4   0.126   4.176  -1.332
   24    H    ARG   5           H        ARG   5  -0.757   2.227  -3.329
   25    HA   ARG   5           HA       ARG   5   1.178   0.028  -3.284
   26    HB2  ARG   5           1HB      ARG   5  -0.637   1.026  -5.432
   27    HB3  ARG   5           2HB      ARG   5   0.458  -0.371  -5.573
   28    HG2  ARG   5           1HG      ARG   5  -0.730  -1.490  -3.736
   29    HG3  ARG   5           2HG      ARG   5  -1.823  -0.092  -3.590
   30    HD2  ARG   5           1HD      ARG   5  -2.937  -1.821  -4.743
   31    HD3  ARG   5           2HD      ARG   5  -2.571  -0.514  -5.893
   32    HE   ARG   5           HE       ARG   5  -0.579  -2.655  -6.131
   33   HH11  ARG   5          1HH1      ARG   5  -3.876  -1.890  -6.966
   34   HH12  ARG   5          2HH1      ARG   5  -3.777  -2.952  -8.357
   35   HH21  ARG   5          1HH2      ARG   5  -0.452  -3.881  -7.715
   36   HH22  ARG   5          2HH2      ARG   5  -1.825  -4.088  -8.785
   37    H    THR   6           H        THR   6   1.134   3.317  -4.401
   38    HA   THR   6           HA       THR   6   3.869   2.865  -5.554
   39    HB   THR   6           HB       THR   6   3.541   4.943  -6.829
   40    HG1  THR   6           HG1      THR   6   0.910   4.900  -5.705
   41   HG21  THR   6          1HG2      THR   6   1.810   4.147  -8.403
   42   HG22  THR   6          2HG2      THR   6   2.856   2.809  -7.870
   43   HG23  THR   6          3HG2      THR   6   1.228   2.995  -7.178
   44    H    GLN   7           H        GLN   7   2.186   4.067  -2.919
   45    HA   GLN   7           HA       GLN   7   4.187   6.226  -2.414
   46    HB2  GLN   7           1HB      GLN   7   1.656   5.546  -0.908
   47    HB3  GLN   7           2HB      GLN   7   2.679   6.986  -0.700
   48    HG2  GLN   7           1HG      GLN   7   0.800   6.509  -3.171
   49    HG3  GLN   7           2HG      GLN   7   0.837   7.542  -1.723
   50   HE21  GLN   7          2HE2      GLN   7   1.849   7.123  -4.977
   51   HE22  GLN   7          1HE2      GLN   7   2.845   8.537  -5.099
   52    H    ASP   8           H        ASP   8   3.750   3.000  -1.777
   53    HA   ASP   8           HA       ASP   8   4.644   2.850   0.959
   54    HB2  ASP   8           1HB      ASP   8   3.630   0.894  -0.425
   55    HB3  ASP   8           2HB      ASP   8   5.188   1.010  -1.281
   56    H    GLU   9           H        GLU   9   6.414   3.618   1.769
   57    HA   GLU   9           HA       GLU   9   8.724   4.327   0.195
   58    HB2  GLU   9           1HB      GLU   9   8.331   3.918   3.162
   59    HB3  GLU   9           2HB      GLU   9   9.829   4.534   2.422
   60    HG2  GLU   9           1HG      GLU   9   8.490   6.519   1.523
   61    HG3  GLU   9           2HG      GLU   9   7.100   5.754   2.326
   62    H    ASN  10           H        ASN  10  10.672   3.409  -0.100
   63    HA   ASN  10           HA       ASN  10  10.906   0.590  -0.248
   64    HB2  ASN  10           1HB      ASN  10  12.607   2.446  -1.311
   65    HB3  ASN  10           2HB      ASN  10  13.028   2.360   0.417
   66   HD21  ASN  10          2HD2      ASN  10  14.529   1.723  -2.073
   67   HD22  ASN  10          1HD2      ASN  10  15.106   0.106  -1.848
   68    HA   PRO  11           HA       PRO  11  11.004  -0.603   3.900
   69    HB2  PRO  11           1HB      PRO  11  12.114  -2.760   2.631
   70    HB3  PRO  11           2HB      PRO  11  10.912  -2.683   3.729
   71    HG2  PRO  11           1HG      PRO  11  10.250  -3.484   1.407
   72    HG3  PRO  11           2HG      PRO  11   9.330  -2.184   2.266
   73    HD2  PRO  11           1HD      PRO  11  11.594  -1.117   0.148
   74    HD3  PRO  11           2HD      PRO  11  10.109  -1.269   0.804
   75    H    VAL  12           H        VAL  12  13.714  -0.889   1.785
   76    HA   VAL  12           HA       VAL  12  15.706  -1.167   3.907
   77    HB   VAL  12           HB       VAL  12  15.939  -0.324   0.989
   78   HG11  VAL  12          1HG1      VAL  12  18.362  -0.713   1.288
   79   HG12  VAL  12          2HG1      VAL  12  17.788   0.593   2.351
   80   HG13  VAL  12          3HG1      VAL  12  18.099  -1.028   3.019
   81   HG21  VAL  12          3HG2      VAL  12  15.184  -2.609   1.263
   82   HG22  VAL  12          1HG2      VAL  12  16.857  -2.564   0.659
   83   HG23  VAL  12          2HG2      VAL  12  16.538  -2.944   2.369
   84    H    VAL  13           H        VAL  13  14.553   1.583   1.969
   85    HA   VAL  13           HA       VAL  13  16.269   3.521   3.289
   86    HB   VAL  13           HB       VAL  13  13.622   3.835   1.813
   87   HG11  VAL  13          1HG1      VAL  13  14.200   6.238   1.716
   88   HG12  VAL  13          2HG1      VAL  13  14.004   5.693   3.399
   89   HG13  VAL  13          3HG1      VAL  13  15.633   5.933   2.726
   90   HG21  VAL  13          3HG2      VAL  13  15.405   2.993   0.406
   91   HG22  VAL  13          1HG2      VAL  13  15.010   4.677  -0.014
   92   HG23  VAL  13          2HG2      VAL  13  16.472   4.316   0.934
   93    H    HIS  14           H        HIS  14  13.018   2.312   3.971
   94    HA   HIS  14           HA       HIS  14  12.498   4.172   6.111
   95    HB2  HIS  14           1HB      HIS  14  10.714   2.820   4.989
   96    HB3  HIS  14           2HB      HIS  14  11.397   1.352   5.729
   97    HD2  HIS  14           HD2      HIS  14  10.211   0.732   8.201
   98    HE1  HIS  14           HE1      HIS  14   8.653   4.624   8.895
   99    HE2  HIS  14           HE2      HIS  14   8.813   2.136   9.729
  100    H    PHE  15           H        PHE  15  13.938   0.922   6.046
  101    HA   PHE  15           HA       PHE  15  14.427   0.659   8.836
  102    HB2  PHE  15           1HB      PHE  15  14.828  -1.189   7.268
  103    HB3  PHE  15           2HB      PHE  15  16.122  -0.263   6.473
  104    HD1  PHE  15           HD1      PHE  15  15.131  -1.771   9.722
  105    HD2  PHE  15           HD2      PHE  15  18.300  -0.416   7.199
  106    HE1  PHE  15           HE1      PHE  15  16.785  -2.747  11.278
  107    HE2  PHE  15           HE2      PHE  15  19.957  -1.394   8.750
  108    HZ   PHE  15           HZ       PHE  15  19.199  -2.559  10.792
  109    H    PHE  16           H        PHE  16  16.473   2.166   6.322
  110    HA   PHE  16           HA       PHE  16  18.501   3.147   8.056
  111    HB2  PHE  16           1HB      PHE  16  18.750   3.267   5.628
  112    HB3  PHE  16           2HB      PHE  16  17.349   4.355   5.506
  113    HD1  PHE  16           HD1      PHE  16  20.804   4.065   6.804
  114    HD2  PHE  16           HD2      PHE  16  17.576   6.655   5.743
  115    HE1  PHE  16           HE1      PHE  16  22.306   6.019   7.010
  116    HE2  PHE  16           HE2      PHE  16  19.074   8.610   5.946
  117    HZ   PHE  16           HZ       PHE  16  21.440   8.292   6.581
  118    H    LYS  17           H        LYS  17  15.426   4.672   7.084
  119    HA   LYS  17           HA       LYS  17  15.812   7.082   8.578
  120    HB2  LYS  17           1HB      LYS  17  13.348   5.593   7.683
  121    HB3  LYS  17           2HB      LYS  17  13.286   7.151   8.541
  122    HG2  LYS  17           1HG      LYS  17  14.643   8.164   6.714
  123    HG3  LYS  17           2HG      LYS  17  14.571   6.615   5.842
  124    HD2  LYS  17           1HD      LYS  17  12.119   6.761   5.765
  125    HD3  LYS  17           2HD      LYS  17  12.179   8.300   6.656
  126    HE2  LYS  17           1HE      LYS  17  13.536   9.268   4.809
  127    HE3  LYS  17           2HE      LYS  17  13.342   7.746   3.909
  128    HZ1  LYS  17           3HZ      LYS  17  11.149   9.529   4.756
  129    HZ2  LYS  17           1HZ      LYS  17  11.738   9.396   3.222
  130    HZ3  LYS  17           2HZ      LYS  17  10.968   8.117   3.922
  131    H    ASN  18           H        ASN  18  14.603   3.908   9.517
  132    HA   ASN  18           HA       ASN  18  13.618   4.660  12.107
  133    HB2  ASN  18           1HB      ASN  18  14.649   1.858  11.227
  134    HB3  ASN  18           2HB      ASN  18  14.033   2.562  12.741
  135   HD21  ASN  18          2HD2      ASN  18  13.005   0.458  10.892
  136   HD22  ASN  18          1HD2      ASN  18  11.383   0.942  10.524
  137    H    ILE  19           H        ILE  19  16.849   3.960  10.910
  138    HA   ILE  19           HA       ILE  19  18.020   3.784  13.597
  139    HB   ILE  19           HB       ILE  19  19.250   4.084  10.821
  140   HG12  ILE  19          1HG1      ILE  19  19.246   1.721  12.677
  141   HG13  ILE  19          2HG1      ILE  19  18.062   1.976  11.374
  142   HG21  ILE  19          1HG2      ILE  19  21.402   3.571  11.925
  143   HG22  ILE  19          2HG2      ILE  19  20.707   5.085  12.549
  144   HG23  ILE  19          3HG2      ILE  19  20.593   3.592  13.511
  145   HD11  ILE  19          3HD1      ILE  19  21.068   1.706  11.017
  146   HD12  ILE  19          1HD1      ILE  19  19.859   0.451  10.657
  147   HD13  ILE  19          2HD1      ILE  19  19.883   1.960   9.714
  148    H    VAL  20           H        VAL  20  17.873   6.280  11.076
  149    HA   VAL  20           HA       VAL  20  19.496   8.082  12.821
  150    HB   VAL  20           HB       VAL  20  19.570   9.557  10.879
  151   HG11  VAL  20          1HG1      VAL  20  20.744   8.088   9.274
  152   HG12  VAL  20          2HG1      VAL  20  21.199   7.697  10.949
  153   HG13  VAL  20          3HG1      VAL  20  20.050   6.658  10.072
  154   HG21  VAL  20          3HG2      VAL  20  17.313   9.225  10.065
  155   HG22  VAL  20          1HG2      VAL  20  18.499   8.972   8.763
  156   HG23  VAL  20          2HG2      VAL  20  17.723   7.573   9.544
  157    H    THR  21           H        THR  21  16.220   7.490  11.979
  158    HA   THR  21           HA       THR  21  15.478   9.922  13.552
  159    HB   THR  21           HB       THR  21  14.034   8.997  11.036
  160    HG1  THR  21           HG1      THR  21  15.718  11.268  11.477
  161   HG21  THR  21          1HG2      THR  21  12.782  11.107  11.321
  162   HG22  THR  21          2HG2      THR  21  12.591  10.051  12.742
  163   HG23  THR  21          3HG2      THR  21  13.693  11.446  12.812
  164    HA   PRO  22           HA       PRO  22  13.746   6.381  15.563
  165    HB2  PRO  22           1HB      PRO  22  13.465   8.393  17.391
  166    HB3  PRO  22           2HB      PRO  22  14.038   6.877  17.565
  167    HG2  PRO  22           1HG      PRO  22  15.368   8.971  16.763
  168    HG3  PRO  22           2HG      PRO  22  15.912   7.797  17.756
  169    HD2  PRO  22           1HD      PRO  22  15.058   9.974  15.322
  170    HD3  PRO  22           2HD      PRO  22  16.050   8.726  15.672
  171    H    ARG  23           H        ARG  23  12.433   9.471  14.980
  172    HA   ARG  23           HA       ARG  23   9.669   8.403  15.457
  173    HB2  ARG  23           1HB      ARG  23  10.647  11.222  15.557
  174    HB3  ARG  23           2HB      ARG  23   8.954  10.690  15.683
  175    HG2  ARG  23           1HG      ARG  23   9.610   9.352  17.705
  176    HG3  ARG  23           2HG      ARG  23  11.216  10.114  17.616
  177    HD2  ARG  23           1HD      ARG  23  10.256  12.268  17.984
  178    HD3  ARG  23           2HD      ARG  23   8.618  11.575  17.956
  179    HE   ARG  23           HE       ARG  23  10.056  10.373  20.168
  180   HH11  ARG  23          1HH1      ARG  23   8.819  13.498  19.238
  181   HH12  ARG  23          2HH1      ARG  23   8.582  13.913  20.925
  182   HH21  ARG  23          1HH2      ARG  23   9.799  10.836  22.104
  183   HH22  ARG  23          2HH2      ARG  23   9.142  12.396  22.560
  184    H    THR  24           H        THR  24  11.282   7.999  13.045
  185    HA   THR  24           HA       THR  24  10.309   9.714  10.948
  186    HB   THR  24           HB       THR  24  12.241   8.193  10.630
  187    HG1  THR  24           HG1      THR  24  10.038   7.544   8.925
  188   HG21  THR  24          1HG2      THR  24  11.843   5.777  10.305
  189   HG22  THR  24          2HG2      THR  24  11.403   6.282  11.955
  190   HG23  THR  24          3HG2      THR  24  10.133   5.999  10.742
  191    HA   PRO  25           HA       PRO  25   6.228   8.407  10.545
  192    HB2  PRO  25           1HB      PRO  25   5.866   9.294   8.220
  193    HB3  PRO  25           2HB      PRO  25   6.015  10.257   9.524
  194    HG2  PRO  25           1HG      PRO  25   7.804   9.838   7.676
  195    HG3  PRO  25           2HG      PRO  25   7.468  11.263   8.397
  196    HD2  PRO  25           1HD      PRO  25   9.438  10.004   9.188
  197    HD3  PRO  25           2HD      PRO  25   8.481  10.786  10.254
  198    HA   PRO  26           HA       PRO  26   6.318   4.696   8.419
  199    HB2  PRO  26           1HB      PRO  26   3.859   4.269   8.161
  200    HB3  PRO  26           2HB      PRO  26   4.610   4.243   9.608
  201    HG2  PRO  26           1HG      PRO  26   3.050   6.117   8.688
  202    HG3  PRO  26           2HG      PRO  26   3.095   5.557  10.219
  203    HD2  PRO  26           1HD      PRO  26   4.300   7.658   9.778
  204    HD3  PRO  26           2HD      PRO  26   4.962   6.549  10.775
  205    HA   PRO  27           HA       PRO  27   5.917   4.936   4.132
  206    HB2  PRO  27           1HB      PRO  27   4.223   2.798   4.306
  207    HB3  PRO  27           2HB      PRO  27   5.559   3.018   3.401
  208    HG2  PRO  27           1HG      PRO  27   5.462   2.185   5.868
  209    HG3  PRO  27           2HG      PRO  27   6.451   1.632   4.696
  210    HD2  PRO  27           1HD      PRO  27   4.834   3.053   7.290
  211    HD3  PRO  27           2HD      PRO  27   6.311   2.835   6.632
  212    H    SER  28           H        SER  28   4.690   5.927   2.543
  213    HA   SER  28           HA       SER  28   2.527   7.535   3.700
  214    HB2  SER  28           1HB      SER  28   3.664   7.424   0.974
  215    HB3  SER  28           2HB      SER  28   2.428   8.557   1.566
  216    HG   SER  28           HG       SER  28   4.551   9.405   1.708
  217    H    GLN  29           H        GLN  29   0.379   7.599   3.077
  218    HA   GLN  29           HA       GLN  29  -0.707   5.046   2.028
  219    HB2  GLN  29           1HB      GLN  29  -2.077   7.519   3.105
  220    HB3  GLN  29           2HB      GLN  29  -2.872   5.990   2.664
  221    HG2  GLN  29           1HG      GLN  29  -1.463   4.876   4.695
  222    HG3  GLN  29           2HG      GLN  29  -0.890   6.560   4.688
  223   HE21  GLN  29          2HE2      GLN  29  -1.979   5.277   6.949
  224   HE22  GLN  29          1HE2      GLN  29  -3.476   6.052   7.351
  225    H    GLY  30           H        GLY  30  -2.432   5.034   0.464
  226    HA2  GLY  30           1HA      GLY  30  -1.675   6.800  -1.796
  227    HA3  GLY  30           2HA      GLY  30  -2.597   5.282  -1.899
  228    H    LYS  31           H        LYS  31  -4.182   6.303  -3.192
  229    HA   LYS  31           HA       LYS  31  -5.664   8.614  -2.181
  230    HB2  LYS  31           1HB      LYS  31  -6.163   6.673  -4.440
  231    HB3  LYS  31           2HB      LYS  31  -7.192   8.077  -4.074
  232    HG2  LYS  31           1HG      LYS  31  -5.289   9.583  -4.487
  233    HG3  LYS  31           2HG      LYS  31  -4.256   8.179  -4.848
  234    HD2  LYS  31           1HD      LYS  31  -5.704   7.589  -6.743
  235    HD3  LYS  31           2HD      LYS  31  -6.761   8.973  -6.373
  236    HE2  LYS  31           1HE      LYS  31  -4.882  10.511  -6.768
  237    HE3  LYS  31           2HE      LYS  31  -3.830   9.127  -7.143
  238    HZ1  LYS  31           3HZ      LYS  31  -6.241   9.907  -8.654
  239    HZ2  LYS  31           1HZ      LYS  31  -4.684  10.162  -9.136
  240    HZ3  LYS  31           2HZ      LYS  31  -5.265   8.623  -9.003
  241    H    GLY  32           H        GLY  32  -5.827   5.197  -1.760
  242    HA2  GLY  32           1HA      GLY  32  -8.640   5.168  -0.966
  243    HA3  GLY  32           2HA      GLY  32  -7.466   3.842  -0.796
  244    H    ARG  33           H        ARG  33  -8.948   3.901   1.279
  245    HA   ARG  33           HA       ARG  33  -8.066   5.854   3.303
  246    HB2  ARG  33           1HB      ARG  33  -9.912   3.517   3.470
  247    HB3  ARG  33           2HB      ARG  33  -9.482   4.587   4.825
  248    HG2  ARG  33           1HG      ARG  33 -10.413   6.508   3.567
  249    HG3  ARG  33           2HG      ARG  33 -10.901   5.394   2.267
  250    HD2  ARG  33           1HD      ARG  33 -12.379   4.252   3.793
  251    HD3  ARG  33           2HD      ARG  33 -11.881   5.346   5.104
  252    HE   ARG  33           HE       ARG  33 -13.067   6.952   3.000
  253   HH11  ARG  33          1HH1      ARG  33 -14.038   4.540   5.323
  254   HH12  ARG  33          2HH1      ARG  33 -15.642   5.244   5.392
  255   HH21  ARG  33          1HH2      ARG  33 -14.902   7.765   3.061
  256   HH22  ARG  33          2HH2      ARG  33 -16.136   7.083   4.103
  257    H    GLY  34           H        GLY  34  -7.009   5.407   5.218
  258    HA2  GLY  34           1HA      GLY  34  -4.884   3.444   5.002
  259    HA3  GLY  34           2HA      GLY  34  -5.226   4.496   6.396
  260    H    LEU  35           H        LEU  35  -8.120   3.393   6.167
  261    HA   LEU  35           HA       LEU  35  -7.602   0.992   7.857
  262    HB2  LEU  35           1HB      LEU  35  -9.991   2.625   7.293
  263    HB3  LEU  35           2HB      LEU  35 -10.065   1.293   8.469
  264    HG   LEU  35           HG       LEU  35  -8.438   3.853   8.711
  265   HD11  LEU  35          1HD1      LEU  35  -9.935   4.290  10.676
  266   HD12  LEU  35          2HD1      LEU  35 -10.872   4.136   9.172
  267   HD13  LEU  35          3HD1      LEU  35 -10.812   2.782  10.324
  268   HD21  LEU  35          3HD2      LEU  35  -7.219   1.972   9.635
  269   HD22  LEU  35          1HD2      LEU  35  -7.803   3.021  10.949
  270   HD23  LEU  35          2HD2      LEU  35  -8.636   1.487  10.595
  271    H    SER  36           H        SER  36  -8.113   1.646   4.680
  272    HA   SER  36           HA       SER  36 -10.200  -0.120   3.816
  273    HB2  SER  36           1HB      SER  36  -9.297   1.512   2.427
  274    HB3  SER  36           2HB      SER  36  -7.718   0.695   2.430
  275    HG   SER  36           HG       SER  36  -8.997   0.149   0.611
  Start of MODEL    8
    1    H1   SER   1           H        SER   1  14.705  12.976   4.950
    2    HA   SER   1           HA       SER   1  15.276  11.216   7.386
    3    HB2  SER   1           1HB      SER   1  15.338  12.628   9.188
    4    HB3  SER   1           2HB      SER   1  16.296  13.303   7.849
    5    HG   SER   1           HG       SER   1  15.003  14.875   8.896
    6    H    GLN   2           H        GLN   2  12.524  13.274   6.496
    7    HA   GLN   2           HA       GLN   2  10.732  12.242   8.530
    8    HB2  GLN   2           1HB      GLN   2  10.388  14.399   7.438
    9    HB3  GLN   2           2HB      GLN   2  10.201  13.580   5.869
   10    HG2  GLN   2           1HG      GLN   2   7.950  12.498   6.848
   11    HG3  GLN   2           2HG      GLN   2   8.626  13.311   8.279
   12   HE21  GLN   2          2HE2      GLN   2   5.992  13.637   7.060
   13   HE22  GLN   2          1HE2      GLN   2   5.863  15.304   6.608
   14    H    HIS   3           H        HIS   3   9.620  10.463   8.649
   15    HA   HIS   3           HA       HIS   3  10.012   8.291   6.866
   16    HB2  HIS   3           1HB      HIS   3   9.092   8.257   9.290
   17    HB3  HIS   3           2HB      HIS   3   7.512   8.627   8.557
   18    HD2  HIS   3           HD2      HIS   3   9.670   5.499   9.374
   19    HE1  HIS   3           HE1      HIS   3   6.684   4.385   6.563
   20    HE2  HIS   3           HE2      HIS   3   8.532   3.576   8.249
   21    H    GLY   4           H        GLY   4   9.229   7.685   5.009
   22    HA2  GLY   4           1HA      GLY   4   7.278   9.483   3.705
   23    HA3  GLY   4           2HA      GLY   4   8.271   8.235   2.916
   24    H    ARG   5           H        ARG   5   6.389   7.505   1.803
   25    HA   ARG   5           HA       ARG   5   4.263   6.242   3.456
   26    HB2  ARG   5           1HB      ARG   5   3.626   7.621   1.575
   27    HB3  ARG   5           2HB      ARG   5   4.461   6.487   0.487
   28    HG2  ARG   5           1HG      ARG   5   2.918   4.743   0.961
   29    HG3  ARG   5           2HG      ARG   5   2.231   5.631   2.343
   30    HD2  ARG   5           1HD      ARG   5   0.679   5.697   0.583
   31    HD3  ARG   5           2HD      ARG   5   1.397   7.318   0.741
   32    HE   ARG   5           HE       ARG   5   2.763   5.961  -1.423
   33   HH11  ARG   5          1HH1      ARG   5  -0.431   7.164  -0.711
   34   HH12  ARG   5          2HH1      ARG   5  -0.704   7.466  -2.416
   35   HH21  ARG   5          1HH2      ARG   5   2.464   6.293  -3.378
   36   HH22  ARG   5          2HH2      ARG   5   0.947   6.970  -3.938
   37    H    THR   6           H        THR   6   3.786   4.117   3.517
   38    HA   THR   6           HA       THR   6   6.007   2.330   3.476
   39    HB   THR   6           HB       THR   6   3.030   1.686   3.389
   40    HG1  THR   6           HG1      THR   6   3.079   2.191   5.442
   41   HG21  THR   6          1HG2      THR   6   3.714  -0.488   4.341
   42   HG22  THR   6          2HG2      THR   6   4.447  -0.231   2.739
   43   HG23  THR   6          3HG2      THR   6   5.423  -0.008   4.209
   44    H    GLN   7           H        GLN   7   3.490   2.953   1.067
   45    HA   GLN   7           HA       GLN   7   4.338   0.731  -0.627
   46    HB2  GLN   7           1HB      GLN   7   2.564   3.135  -1.093
   47    HB3  GLN   7           2HB      GLN   7   2.860   1.864  -2.302
   48    HG2  GLN   7           1HG      GLN   7   1.706   0.165  -0.523
   49    HG3  GLN   7           2HG      GLN   7   1.696   1.721   0.339
   50   HE21  GLN   7          2HE2      GLN   7  -0.567   0.023  -0.285
   51   HE22  GLN   7          1HE2      GLN   7  -1.627   0.948  -1.296
   52    H    ASP   8           H        ASP   8   4.943   4.214  -0.521
   53    HA   ASP   8           HA       ASP   8   6.216   4.295  -3.129
   54    HB2  ASP   8           1HB      ASP   8   6.259   6.285  -0.783
   55    HB3  ASP   8           2HB      ASP   8   7.096   6.383  -2.353
   56    H    GLU   9           H        GLU   9   7.455   4.094   0.209
   57    HA   GLU   9           HA       GLU   9  10.213   4.382  -0.859
   58    HB2  GLU   9           1HB      GLU   9   9.165   4.262   1.973
   59    HB3  GLU   9           2HB      GLU   9  10.846   4.589   1.486
   60    HG2  GLU   9           1HG      GLU   9   8.432   6.424   0.955
   61    HG3  GLU   9           2HG      GLU   9   9.768   6.588   2.117
   62    H    ASN  10           H        ASN  10  11.910   3.003  -0.349
   63    HA   ASN  10           HA       ASN  10  11.159   0.175  -0.383
   64    HB2  ASN  10           1HB      ASN  10  14.029   1.378  -0.306
   65    HB3  ASN  10           2HB      ASN  10  13.324  -0.256  -0.263
   66   HD21  ASN  10          2HD2      ASN  10  15.052   1.201  -2.223
   67   HD22  ASN  10          1HD2      ASN  10  14.240   1.023  -3.743
   68    HA   PRO  11           HA       PRO  11  11.320  -0.798   3.797
   69    HB2  PRO  11           1HB      PRO  11  12.353  -3.107   3.566
   70    HB3  PRO  11           2HB      PRO  11  10.803  -2.756   3.207
   71    HG2  PRO  11           1HG      PRO  11  12.751  -3.135   1.519
   72    HG3  PRO  11           2HG      PRO  11  11.213  -3.650   1.357
   73    HD2  PRO  11           1HD      PRO  11  12.118  -1.661   0.148
   74    HD3  PRO  11           2HD      PRO  11  10.595  -1.736   0.728
   75    H    VAL  12           H        VAL  12  14.119  -1.080   1.846
   76    HA   VAL  12           HA       VAL  12  16.042  -1.060   4.054
   77    HB   VAL  12           HB       VAL  12  16.301  -0.288   1.117
   78   HG11  VAL  12          1HG1      VAL  12  18.737  -0.391   1.525
   79   HG12  VAL  12          2HG1      VAL  12  17.975   0.873   2.519
   80   HG13  VAL  12          3HG1      VAL  12  18.436  -0.681   3.254
   81   HG21  VAL  12          3HG2      VAL  12  15.797  -2.636   1.440
   82   HG22  VAL  12          1HG2      VAL  12  17.478  -2.418   0.901
   83   HG23  VAL  12          2HG2      VAL  12  17.132  -2.782   2.609
   84    H    VAL  13           H        VAL  13  14.563   1.457   2.036
   85    HA   VAL  13           HA       VAL  13  15.916   3.666   3.342
   86    HB   VAL  13           HB       VAL  13  13.231   3.496   1.912
   87   HG11  VAL  13          1HG1      VAL  13  13.350   5.964   1.830
   88   HG12  VAL  13          2HG1      VAL  13  13.283   5.381   3.511
   89   HG13  VAL  13          3HG1      VAL  13  14.830   5.926   2.817
   90   HG21  VAL  13          3HG2      VAL  13  15.119   3.011   0.473
   91   HG22  VAL  13          1HG2      VAL  13  14.410   4.594   0.075
   92   HG23  VAL  13          2HG2      VAL  13  15.929   4.506   0.999
   93    H    HIS  14           H        HIS  14  12.902   1.945   4.053
   94    HA   HIS  14           HA       HIS  14  12.104   3.617   6.234
   95    HB2  HIS  14           1HB      HIS  14  11.602   0.676   5.617
   96    HB3  HIS  14           2HB      HIS  14  10.881   1.515   7.011
   97    HD2  HIS  14           HD2      HIS  14   9.681   0.566   3.590
   98    HE1  HIS  14           HE1      HIS  14   7.971   4.371   4.396
   99    HE2  HIS  14           HE2      HIS  14   7.937   2.217   2.890
  100    H    PHE  15           H        PHE  15  14.079   0.645   6.200
  101    HA   PHE  15           HA       PHE  15  14.660   0.569   8.981
  102    HB2  PHE  15           1HB      PHE  15  15.254  -1.269   7.439
  103    HB3  PHE  15           2HB      PHE  15  16.440  -0.218   6.631
  104    HD1  PHE  15           HD1      PHE  15  15.610  -1.873   9.839
  105    HD2  PHE  15           HD2      PHE  15  18.602   0.014   7.445
  106    HE1  PHE  15           HE1      PHE  15  17.350  -2.618  11.430
  107    HE2  PHE  15           HE2      PHE  15  20.345  -0.732   9.031
  108    HZ   PHE  15           HZ       PHE  15  19.718  -2.047  11.025
  109    H    PHE  16           H        PHE  16  16.506   2.160   6.363
  110    HA   PHE  16           HA       PHE  16  18.561   3.246   7.959
  111    HB2  PHE  16           1HB      PHE  16  18.642   3.372   5.519
  112    HB3  PHE  16           2HB      PHE  16  17.208   4.422   5.493
  113    HD1  PHE  16           HD1      PHE  16  20.755   4.222   6.524
  114    HD2  PHE  16           HD2      PHE  16  17.382   6.729   5.755
  115    HE1  PHE  16           HE1      PHE  16  22.213   6.215   6.635
  116    HE2  PHE  16           HE2      PHE  16  18.837   8.725   5.863
  117    HZ   PHE  16           HZ       PHE  16  21.254   8.467   6.305
  118    H    LYS  17           H        LYS  17  15.403   4.712   7.165
  119    HA   LYS  17           HA       LYS  17  15.928   7.122   8.667
  120    HB2  LYS  17           1HB      LYS  17  13.401   5.808   7.675
  121    HB3  LYS  17           2HB      LYS  17  13.422   7.362   8.542
  122    HG2  LYS  17           1HG      LYS  17  14.859   8.316   6.770
  123    HG3  LYS  17           2HG      LYS  17  14.788   6.767   5.895
  124    HD2  LYS  17           1HD      LYS  17  12.349   6.983   5.689
  125    HD3  LYS  17           2HD      LYS  17  12.405   8.519   6.586
  126    HE2  LYS  17           1HE      LYS  17  13.767   9.529   4.836
  127    HE3  LYS  17           2HE      LYS  17  13.814   7.985   3.954
  128    HZ1  LYS  17           3HZ      LYS  17  11.390   9.576   4.497
  129    HZ2  LYS  17           1HZ      LYS  17  12.168   9.478   3.046
  130    HZ3  LYS  17           2HZ      LYS  17  11.433   8.143   3.679
  131    H    ASN  18           H        ASN  18  14.660   3.973   9.522
  132    HA   ASN  18           HA       ASN  18  13.599   4.829  12.102
  133    HB2  ASN  18           1HB      ASN  18  14.162   1.929  11.123
  134    HB3  ASN  18           2HB      ASN  18  13.646   2.668  12.658
  135   HD21  ASN  18          2HD2      ASN  18  12.305   0.834  10.736
  136   HD22  ASN  18          1HD2      ASN  18  10.798   1.600  10.361
  137    H    ILE  19           H        ILE  19  16.732   4.287  10.895
  138    HA   ILE  19           HA       ILE  19  17.843   3.800  13.625
  139    HB   ILE  19           HB       ILE  19  19.196   4.002  10.895
  140   HG12  ILE  19          1HG1      ILE  19  17.851   2.046  11.034
  141   HG13  ILE  19          2HG1      ILE  19  19.577   1.624  11.116
  142   HG21  ILE  19          1HG2      ILE  19  21.198   3.170  12.082
  143   HG22  ILE  19          2HG2      ILE  19  20.664   4.731  12.745
  144   HG23  ILE  19          3HG2      ILE  19  20.309   3.224  13.622
  145   HD11  ILE  19          3HD1      ILE  19  17.663   1.757  13.473
  146   HD12  ILE  19          1HD1      ILE  19  18.253   0.271  12.694
  147   HD13  ILE  19          2HD1      ILE  19  19.389   1.334  13.557
  148    H    VAL  20           H        VAL  20  17.836   6.262  11.080
  149    HA   VAL  20           HA       VAL  20  19.690   7.944  12.697
  150    HB   VAL  20           HB       VAL  20  19.652   9.448  10.761
  151   HG11  VAL  20          1HG1      VAL  20  20.634   7.936   9.069
  152   HG12  VAL  20          2HG1      VAL  20  21.209   7.528  10.704
  153   HG13  VAL  20          3HG1      VAL  20  19.953   6.534   9.927
  154   HG21  VAL  20          3HG2      VAL  20  17.324   9.203  10.134
  155   HG22  VAL  20          1HG2      VAL  20  18.389   8.904   8.741
  156   HG23  VAL  20          2HG2      VAL  20  17.627   7.537   9.587
  157    H    THR  21           H        THR  21  16.300   7.651  12.061
  158    HA   THR  21           HA       THR  21  15.946   9.926  13.978
  159    HB   THR  21           HB       THR  21  13.805  10.476  12.875
  160    HG1  THR  21           HG1      THR  21  13.439   9.513  10.770
  161   HG21  THR  21          1HG2      THR  21  14.723  11.510  10.829
  162   HG22  THR  21          2HG2      THR  21  15.842  11.701  12.201
  163   HG23  THR  21          3HG2      THR  21  16.165  10.475  10.951
  164    HA   PRO  22           HA       PRO  22  13.604   7.496  16.562
  165    HB2  PRO  22           1HB      PRO  22  11.599   9.321  16.203
  166    HB3  PRO  22           2HB      PRO  22  12.296   8.770  17.569
  167    HG2  PRO  22           1HG      PRO  22  13.153  10.702  16.045
  168    HG3  PRO  22           2HG      PRO  22  13.178  10.668  17.674
  169    HD2  PRO  22           1HD      PRO  22  13.615  10.602  14.315
  170    HD3  PRO  22           2HD      PRO  22  14.411  10.578  15.738
  171    H    ARG  23           H        ARG  23  12.525   5.623  16.417
  172    HA   ARG  23           HA       ARG  23  11.582   4.716  13.930
  173    HB2  ARG  23           1HB      ARG  23  10.839   3.808  16.672
  174    HB3  ARG  23           2HB      ARG  23  10.348   3.001  15.164
  175    HG2  ARG  23           1HG      ARG  23  12.711   2.631  14.594
  176    HG3  ARG  23           2HG      ARG  23  13.201   3.435  16.106
  177    HD2  ARG  23           1HD      ARG  23  11.517   0.957  15.981
  178    HD3  ARG  23           2HD      ARG  23  13.290   0.964  16.129
  179    HE   ARG  23           HE       ARG  23  12.298   2.446  18.377
  180   HH11  ARG  23          1HH1      ARG  23  11.960  -0.801  17.151
  181   HH12  ARG  23          2HH1      ARG  23  11.768  -1.405  18.785
  182   HH21  ARG  23          1HH2      ARG  23  12.071   1.772  20.253
  183   HH22  ARG  23          2HH2      ARG  23  11.830   0.061  20.556
  184    H    THR  24           H        THR  24   9.983   5.227  12.685
  185    HA   THR  24           HA       THR  24   7.558   6.472  13.943
  186    HB   THR  24           HB       THR  24   8.757   6.988  11.188
  187    HG1  THR  24           HG1      THR  24   9.807   7.977  13.077
  188   HG21  THR  24          1HG2      THR  24   7.002   8.716  11.013
  189   HG22  THR  24          2HG2      THR  24   6.289   7.097  11.204
  190   HG23  THR  24          3HG2      THR  24   6.348   8.211  12.590
  191    HA   PRO  25           HA       PRO  25   5.502   2.924  12.578
  192    HB2  PRO  25           1HB      PRO  25   3.433   4.642  13.070
  193    HB3  PRO  25           2HB      PRO  25   3.685   3.116  13.582
  194    HG2  PRO  25           1HG      PRO  25   4.612   5.299  14.660
  195    HG3  PRO  25           2HG      PRO  25   4.051   3.989  15.452
  196    HD2  PRO  25           1HD      PRO  25   5.691   6.511  13.914
  197    HD3  PRO  25           2HD      PRO  25   5.896   5.225  14.895
  198    HA   PRO  26           HA       PRO  26   5.127   4.007   8.368
  199    HB2  PRO  26           1HB      PRO  26   4.360   1.390   8.348
  200    HB3  PRO  26           2HB      PRO  26   5.475   2.173   7.455
  201    HG2  PRO  26           1HG      PRO  26   5.821   1.114   9.810
  202    HG3  PRO  26           2HG      PRO  26   6.877   1.083   8.569
  203    HD2  PRO  26           1HD      PRO  26   5.132   1.584  11.338
  204    HD3  PRO  26           2HD      PRO  26   6.513   2.002  10.577
  205    HA   PRO  27           HA       PRO  27   0.900   4.793   8.193
  206    HB2  PRO  27           1HB      PRO  27   0.767   5.490   5.783
  207    HB3  PRO  27           2HB      PRO  27   1.483   6.401   6.929
  208    HG2  PRO  27           1HG      PRO  27   2.667   4.981   5.093
  209    HG3  PRO  27           2HG      PRO  27   3.112   6.462   5.613
  210    HD2  PRO  27           1HD      PRO  27   4.341   4.530   6.524
  211    HD3  PRO  27           2HD      PRO  27   3.961   5.782   7.498
  212    H    SER  28           H        SER  28  -1.098   3.983   7.438
  213    HA   SER  28           HA       SER  28  -0.993   1.174   6.597
  214    HB2  SER  28           1HB      SER  28  -3.263   1.170   6.733
  215    HB3  SER  28           2HB      SER  28  -2.599   2.043   8.133
  216    HG   SER  28           HG       SER  28  -4.409   3.096   7.205
  217    H    GLN  29           H        GLN  29  -2.265   0.402   4.743
  218    HA   GLN  29           HA       GLN  29  -1.386   1.738   2.295
  219    HB2  GLN  29           1HB      GLN  29  -3.104  -0.696   2.814
  220    HB3  GLN  29           2HB      GLN  29  -2.615  -0.133   1.198
  221    HG2  GLN  29           1HG      GLN  29  -0.062  -0.595   2.030
  222    HG3  GLN  29           2HG      GLN  29  -1.044  -1.032   3.448
  223   HE21  GLN  29          2HE2      GLN  29   0.796  -2.770   2.196
  224   HE22  GLN  29          1HE2      GLN  29  -0.086  -4.088   1.499
  225    H    GLY  30           H        GLY  30  -2.538   2.701   0.722
  226    HA2  GLY  30           1HA      GLY  30  -4.536   3.467  -0.327
  227    HA3  GLY  30           2HA      GLY  30  -5.450   3.081   1.149
  228    H    LYS  31           H        LYS  31  -2.756   4.510   2.282
  229    HA   LYS  31           HA       LYS  31  -4.121   7.135   2.549
  230    HB2  LYS  31           1HB      LYS  31  -1.607   6.071   3.843
  231    HB3  LYS  31           2HB      LYS  31  -2.444   7.590   4.241
  232    HG2  LYS  31           1HG      LYS  31  -3.597   4.800   4.589
  233    HG3  LYS  31           2HG      LYS  31  -2.897   5.792   5.890
  234    HD2  LYS  31           1HD      LYS  31  -4.598   7.559   5.367
  235    HD3  LYS  31           2HD      LYS  31  -5.348   6.427   4.217
  236    HE2  LYS  31           1HE      LYS  31  -5.681   4.810   6.060
  237    HE3  LYS  31           2HE      LYS  31  -4.991   5.990   7.198
  238    HZ1  LYS  31           3HZ      LYS  31  -7.435   6.384   5.594
  239    HZ2  LYS  31           1HZ      LYS  31  -7.392   6.046   7.207
  240    HZ3  LYS  31           2HZ      LYS  31  -6.795   7.479   6.648
  241    H    GLY  32           H        GLY  32  -3.065   9.120   2.246
  242    HA2  GLY  32           1HA      GLY  32  -1.533   9.159  -0.230
  243    HA3  GLY  32           2HA      GLY  32  -2.042  10.564   0.734
  244    H    ARG  33           H        ARG  33   0.482  10.369  -0.481
  245    HA   ARG  33           HA       ARG  33   2.509   9.447   1.364
  246    HB2  ARG  33           1HB      ARG  33   2.931   9.693  -0.980
  247    HB3  ARG  33           2HB      ARG  33   2.719  11.453  -0.838
  248    HG2  ARG  33           1HG      ARG  33   4.644  11.533   0.717
  249    HG3  ARG  33           2HG      ARG  33   4.875   9.781   0.491
  250    HD2  ARG  33           1HD      ARG  33   5.289  10.169  -1.877
  251    HD3  ARG  33           2HD      ARG  33   5.120  11.918  -1.602
  252    HE   ARG  33           HE       ARG  33   7.387  11.867  -0.597
  253   HH11  ARG  33          1HH1      ARG  33   6.262   8.628  -1.230
  254   HH12  ARG  33          2HH1      ARG  33   7.886   8.011  -0.998
  255   HH21  ARG  33          1HH2      ARG  33   9.251  11.175  -0.321
  256   HH22  ARG  33          2HH2      ARG  33   9.591   9.463  -0.478
  257    H    GLY  34           H        GLY  34   0.863  12.547   0.897
  258    HA2  GLY  34           1HA      GLY  34   2.756  14.088   2.399
  259    HA3  GLY  34           2HA      GLY  34   1.094  14.572   1.989
  260    H    LEU  35           H        LEU  35   0.188  11.961   3.325
  261    HA   LEU  35           HA       LEU  35  -0.432  13.142   5.887
  262    HB2  LEU  35           1HB      LEU  35  -0.614  10.439   4.739
  263    HB3  LEU  35           2HB      LEU  35  -1.322  10.736   6.345
  264    HG   LEU  35           HG       LEU  35  -2.171  11.990   3.705
  265   HD11  LEU  35          1HD1      LEU  35  -4.328  10.788   4.153
  266   HD12  LEU  35          2HD1      LEU  35  -2.965   9.650   4.043
  267   HD13  LEU  35          3HD1      LEU  35  -3.620  10.103   5.635
  268   HD21  LEU  35          3HD2      LEU  35  -2.319  13.613   5.499
  269   HD22  LEU  35          1HD2      LEU  35  -3.951  13.101   5.009
  270   HD23  LEU  35          2HD2      LEU  35  -3.229  12.463   6.506
  271    H    SER  36           H        SER  36   2.129  11.073   4.751
  272    HA   SER  36           HA       SER  36   3.085  10.580   7.575
  273    HB2  SER  36           1HB      SER  36   2.782   8.651   6.307
  274    HB3  SER  36           2HB      SER  36   3.839   9.284   5.025
  275    HG   SER  36           HG       SER  36   5.544   9.257   6.464
  Start of MODEL    9
    1    H1   SER   1           H        SER   1  11.452  13.703   9.477
    2    HA   SER   1           HA       SER   1   8.436  14.180   9.664
    3    HB2  SER   1           1HB      SER   1   7.712  14.574   7.557
    4    HB3  SER   1           2HB      SER   1   9.242  15.449   7.794
    5    HG   SER   1           HG       SER   1   8.906  12.992   6.415
    6    H    GLN   2           H        GLN   2   6.704  12.914   8.326
    7    HA   GLN   2           HA       GLN   2   6.922  10.135   9.106
    8    HB2  GLN   2           1HB      GLN   2   4.812  11.429   9.051
    9    HB3  GLN   2           2HB      GLN   2   4.935  11.499   7.277
   10    HG2  GLN   2           1HG      GLN   2   4.658   8.822   7.297
   11    HG3  GLN   2           2HG      GLN   2   4.756   9.207   9.030
   12   HE21  GLN   2          2HE2      GLN   2   2.659   7.730   7.855
   13   HE22  GLN   2          1HE2      GLN   2   1.198   8.652   7.991
   14    H    HIS   3           H        HIS   3   7.438   8.363   8.055
   15    HA   HIS   3           HA       HIS   3   8.836   8.583   5.522
   16    HB2  HIS   3           1HB      HIS   3   9.038   6.125   5.684
   17    HB3  HIS   3           2HB      HIS   3   9.439   6.882   7.245
   18    HD2  HIS   3           HD2      HIS   3   7.892   5.936   9.433
   19    HE1  HIS   3           HE1      HIS   3   5.191   3.714   7.021
   20    HE2  HIS   3           HE2      HIS   3   5.995   4.306   9.453
   21    H    GLY   4           H        GLY   4   8.343   7.039   3.710
   22    HA2  GLY   4           1HA      GLY   4   5.625   7.748   2.798
   23    HA3  GLY   4           2HA      GLY   4   6.958   7.125   1.799
   24    H    ARG   5           H        ARG   5   4.842   5.924   1.094
   25    HA   ARG   5           HA       ARG   5   3.925   3.755   2.798
   26    HB2  ARG   5           1HB      ARG   5   3.567   4.253  -0.122
   27    HB3  ARG   5           2HB      ARG   5   2.850   2.903   0.788
   28    HG2  ARG   5           1HG      ARG   5   1.586   4.449   2.167
   29    HG3  ARG   5           2HG      ARG   5   2.376   5.840   1.383
   30    HD2  ARG   5           1HD      ARG   5   0.572   3.857   0.033
   31    HD3  ARG   5           2HD      ARG   5   0.101   5.470   0.618
   32    HE   ARG   5           HE       ARG   5   2.205   5.809  -1.351
   33   HH11  ARG   5          1HH1      ARG   5  -1.113   4.747  -1.213
   34   HH12  ARG   5          2HH1      ARG   5  -1.367   5.308  -2.854
   35   HH21  ARG   5          1HH2      ARG   5   1.933   6.450  -3.234
   36   HH22  ARG   5          2HH2      ARG   5   0.370   6.278  -4.008
   37    H    THR   6           H        THR   6   3.956   1.468   2.007
   38    HA   THR   6           HA       THR   6   6.688   0.551   1.985
   39    HB   THR   6           HB       THR   6   4.117  -0.950   1.333
   40    HG1  THR   6           HG1      THR   6   4.290  -1.594   3.524
   41   HG21  THR   6          1HG2      THR   6   5.443  -2.967   1.858
   42   HG22  THR   6          2HG2      THR   6   6.137  -2.088   0.474
   43   HG23  THR   6          3HG2      THR   6   6.891  -1.958   2.081
   44    H    GLN   7           H        GLN   7   4.309   1.092  -0.554
   45    HA   GLN   7           HA       GLN   7   6.014  -0.147  -2.600
   46    HB2  GLN   7           1HB      GLN   7   3.507   1.539  -2.729
   47    HB3  GLN   7           2HB      GLN   7   4.335   0.865  -4.152
   48    HG2  GLN   7           1HG      GLN   7   3.775  -1.572  -3.095
   49    HG3  GLN   7           2HG      GLN   7   3.131  -0.447  -1.877
   50   HE21  GLN   7          2HE2      GLN   7   1.641  -2.495  -3.178
   51   HE22  GLN   7          1HE2      GLN   7   0.408  -1.733  -4.127
   52    H    ASP   8           H        ASP   8   5.304   3.103  -1.428
   53    HA   ASP   8           HA       ASP   8   6.748   4.382  -3.635
   54    HB2  ASP   8           1HB      ASP   8   5.604   5.512  -1.011
   55    HB3  ASP   8           2HB      ASP   8   6.558   6.338  -2.269
   56    H    GLU   9           H        GLU   9   7.458   3.389  -0.334
   57    HA   GLU   9           HA       GLU   9  10.273   4.348  -0.757
   58    HB2  GLU   9           1HB      GLU   9   9.065   5.629   0.957
   59    HB3  GLU   9           2HB      GLU   9   8.718   4.113   1.824
   60    HG2  GLU   9           1HG      GLU   9  11.238   3.802   2.151
   61    HG3  GLU   9           2HG      GLU   9  11.387   5.339   1.271
   62    H    ASN  10           H        ASN  10  11.834   2.937  -0.677
   63    HA   ASN  10           HA       ASN  10  11.264   0.118  -0.489
   64    HB2  ASN  10           1HB      ASN  10  14.078   1.447  -0.455
   65    HB3  ASN  10           2HB      ASN  10  13.438  -0.214  -0.403
   66   HD21  ASN  10          2HD2      ASN  10  15.076   1.355  -2.381
   67   HD22  ASN  10          1HD2      ASN  10  14.264   1.124  -3.894
   68    HA   PRO  11           HA       PRO  11  11.244  -0.738   3.714
   69    HB2  PRO  11           1HB      PRO  11  12.567  -2.959   2.818
   70    HB3  PRO  11           2HB      PRO  11  11.241  -2.823   3.756
   71    HG2  PRO  11           1HG      PRO  11  11.327  -2.782   1.151
   72    HG3  PRO  11           2HG      PRO  11  10.198  -3.513   2.074
   73    HD2  PRO  11           1HD      PRO  11  12.202  -1.619   0.109
   74    HD3  PRO  11           2HD      PRO  11  10.670  -1.779   0.646
   75    H    VAL  12           H        VAL  12  14.163  -1.188   1.912
   76    HA   VAL  12           HA       VAL  12  15.994  -1.095   4.148
   77    HB   VAL  12           HB       VAL  12  16.352  -0.327   1.222
   78   HG11  VAL  12          1HG1      VAL  12  18.774  -0.463   1.698
   79   HG12  VAL  12          2HG1      VAL  12  18.002   0.814   2.666
   80   HG13  VAL  12          3HG1      VAL  12  18.421  -0.744   3.418
   81   HG21  VAL  12          3HG2      VAL  12  15.805  -2.666   1.536
   82   HG22  VAL  12          1HG2      VAL  12  17.504  -2.474   1.044
   83   HG23  VAL  12          2HG2      VAL  12  17.105  -2.827   2.742
   84    H    VAL  13           H        VAL  13  14.582   1.453   2.134
   85    HA   VAL  13           HA       VAL  13  16.068   3.604   3.427
   86    HB   VAL  13           HB       VAL  13  13.442   3.597   1.882
   87   HG11  VAL  13          1HG1      VAL  13  13.772   6.042   1.728
   88   HG12  VAL  13          2HG1      VAL  13  13.593   5.525   3.421
   89   HG13  VAL  13          3HG1      VAL  13  15.204   5.914   2.774
   90   HG21  VAL  13          3HG2      VAL  13  15.334   2.906   0.536
   91   HG22  VAL  13          1HG2      VAL  13  14.777   4.527   0.060
   92   HG23  VAL  13          2HG2      VAL  13  16.247   4.346   1.048
   93    H    HIS  14           H        HIS  14  12.854   2.191   3.981
   94    HA   HIS  14           HA       HIS  14  12.106   3.823   6.173
   95    HB2  HIS  14           1HB      HIS  14  10.551   2.190   5.193
   96    HB3  HIS  14           2HB      HIS  14  11.595   0.848   5.721
   97    HD2  HIS  14           HD2      HIS  14   8.837   3.274   7.255
   98    HE1  HIS  14           HE1      HIS  14  10.116   0.450  10.160
   99    HE2  HIS  14           HE2      HIS  14   8.402   2.343   9.537
  100    H    PHE  15           H        PHE  15  14.122   0.889   6.131
  101    HA   PHE  15           HA       PHE  15  14.526   0.789   8.974
  102    HB2  PHE  15           1HB      PHE  15  16.312  -0.211   6.713
  103    HB3  PHE  15           2HB      PHE  15  16.438  -0.676   8.424
  104    HD1  PHE  15           HD1      PHE  15  13.213  -0.597   8.533
  105    HD2  PHE  15           HD2      PHE  15  16.183  -2.616   6.220
  106    HE1  PHE  15           HE1      PHE  15  11.638  -2.462   8.143
  107    HE2  PHE  15           HE2      PHE  15  14.611  -4.483   5.827
  108    HZ   PHE  15           HZ       PHE  15  12.338  -4.406   6.790
  109    H    PHE  16           H        PHE  16  16.460   2.270   6.368
  110    HA   PHE  16           HA       PHE  16  18.538   3.317   7.989
  111    HB2  PHE  16           1HB      PHE  16  18.654   3.396   5.543
  112    HB3  PHE  16           2HB      PHE  16  17.253   4.489   5.485
  113    HD1  PHE  16           HD1      PHE  16  20.777   4.193   6.576
  114    HD2  PHE  16           HD2      PHE  16  17.497   6.791   5.713
  115    HE1  PHE  16           HE1      PHE  16  22.294   6.141   6.683
  116    HE2  PHE  16           HE2      PHE  16  19.012   8.742   5.816
  117    HZ   PHE  16           HZ       PHE  16  21.412   8.417   6.303
  118    H    LYS  17           H        LYS  17  15.428   4.831   7.097
  119    HA   LYS  17           HA       LYS  17  15.888   7.246   8.575
  120    HB2  LYS  17           1HB      LYS  17  13.374   5.825   7.704
  121    HB3  LYS  17           2HB      LYS  17  13.377   7.404   8.525
  122    HG2  LYS  17           1HG      LYS  17  14.717   8.350   6.676
  123    HG3  LYS  17           2HG      LYS  17  14.671   6.774   5.850
  124    HD2  LYS  17           1HD      LYS  17  12.235   6.898   5.690
  125    HD3  LYS  17           2HD      LYS  17  12.238   8.437   6.584
  126    HE2  LYS  17           1HE      LYS  17  13.568   9.473   4.788
  127    HE3  LYS  17           2HE      LYS  17  13.547   7.936   3.893
  128    HZ1  LYS  17           3HZ      LYS  17  11.175   9.546   4.591
  129    HZ2  LYS  17           1HZ      LYS  17  11.865   9.454   3.095
  130    HZ3  LYS  17           2HZ      LYS  17  11.156   8.121   3.760
  131    H    ASN  18           H        ASN  18  14.434   4.148   9.491
  132    HA   ASN  18           HA       ASN  18  13.509   5.013  12.077
  133    HB2  ASN  18           1HB      ASN  18  12.916   2.653  10.809
  134    HB3  ASN  18           2HB      ASN  18  14.562   2.451  11.454
  135   HD21  ASN  18          2HD2      ASN  18  14.475   1.141  13.101
  136   HD22  ASN  18          1HD2      ASN  18  13.351   1.221  14.417
  137    H    ILE  19           H        ILE  19  16.640   4.043  10.878
  138    HA   ILE  19           HA       ILE  19  17.779   3.695  13.576
  139    HB   ILE  19           HB       ILE  19  19.029   3.889  10.799
  140   HG12  ILE  19          1HG1      ILE  19  18.854   1.542  12.664
  141   HG13  ILE  19          2HG1      ILE  19  17.669   1.887  11.383
  142   HG21  ILE  19          1HG2      ILE  19  21.135   3.206  11.897
  143   HG22  ILE  19          2HG2      ILE  19  20.570   4.775  12.517
  144   HG23  ILE  19          3HG2      ILE  19  20.338   3.302  13.486
  145   HD11  ILE  19          3HD1      ILE  19  20.636   1.374  10.971
  146   HD12  ILE  19          1HD1      ILE  19  19.325   0.220  10.638
  147   HD13  ILE  19          2HD1      ILE  19  19.452   1.720   9.689
  148    H    VAL  20           H        VAL  20  17.798   6.230  11.092
  149    HA   VAL  20           HA       VAL  20  19.723   7.794  12.757
  150    HB   VAL  20           HB       VAL  20  19.896   9.261  10.823
  151   HG11  VAL  20          1HG1      VAL  20  20.755   7.669   9.137
  152   HG12  VAL  20          2HG1      VAL  20  21.245   7.189  10.779
  153   HG13  VAL  20          3HG1      VAL  20  19.912   6.338   9.964
  154   HG21  VAL  20          3HG2      VAL  20  17.570   9.265  10.143
  155   HG22  VAL  20          1HG2      VAL  20  18.631   8.869   8.770
  156   HG23  VAL  20          2HG2      VAL  20  17.712   7.581   9.583
  157    H    THR  21           H        THR  21  16.365   7.570  12.236
  158    HA   THR  21           HA       THR  21  16.076  10.169  13.712
  159    HB   THR  21           HB       THR  21  13.886  10.428  12.810
  160    HG1  THR  21           HG1      THR  21  13.267   8.205  12.929
  161   HG21  THR  21          1HG2      THR  21  14.248  10.416  10.367
  162   HG22  THR  21          2HG2      THR  21  15.684  11.023  11.225
  163   HG23  THR  21          3HG2      THR  21  15.666   9.363  10.582
  164    HA   PRO  22           HA       PRO  22  14.157   8.287  17.131
  165    HB2  PRO  22           1HB      PRO  22  12.009   9.843  16.488
  166    HB3  PRO  22           2HB      PRO  22  12.842   9.711  17.882
  167    HG2  PRO  22           1HG      PRO  22  13.421  11.241  15.853
  168    HG3  PRO  22           2HG      PRO  22  13.558  11.629  17.432
  169    HD2  PRO  22           1HD      PRO  22  13.890  10.782  14.232
  170    HD3  PRO  22           2HD      PRO  22  14.738  11.131  15.581
  171    H    ARG  23           H        ARG  23  12.463   6.812  17.804
  172    HA   ARG  23           HA       ARG  23  12.174   4.803  15.861
  173    HB2  ARG  23           1HB      ARG  23  10.552   5.308  18.311
  174    HB3  ARG  23           2HB      ARG  23  10.402   3.871  17.273
  175    HG2  ARG  23           1HG      ARG  23  12.746   3.295  17.725
  176    HG3  ARG  23           2HG      ARG  23  12.906   4.740  18.752
  177    HD2  ARG  23           1HD      ARG  23  10.982   2.504  19.281
  178    HD3  ARG  23           2HD      ARG  23  12.627   2.593  19.949
  179    HE   ARG  23           HE       ARG  23  11.277   4.978  20.810
  180   HH11  ARG  23          1HH1      ARG  23  10.859   1.541  21.224
  181   HH12  ARG  23          2HH1      ARG  23  10.151   1.812  22.805
  182   HH21  ARG  23          1HH2      ARG  23  10.461   5.305  22.615
  183   HH22  ARG  23          2HH2      ARG  23   9.923   3.958  23.599
  184    H    THR  24           H        THR  24  11.107   4.630  14.073
  185    HA   THR  24           HA       THR  24   8.780   6.444  13.623
  186    HB   THR  24           HB       THR  24   9.066   5.952  11.253
  187    HG1  THR  24           HG1      THR  24  10.963   4.061  12.221
  188   HG21  THR  24          1HG2      THR  24  11.336   6.856  10.892
  189   HG22  THR  24          2HG2      THR  24  10.510   7.710  12.217
  190   HG23  THR  24          3HG2      THR  24  11.752   6.489  12.583
  191    HA   PRO  25           HA       PRO  25   5.866   3.277  13.615
  192    HB2  PRO  25           1HB      PRO  25   4.350   4.103  11.781
  193    HB3  PRO  25           2HB      PRO  25   4.477   4.836  13.231
  194    HG2  PRO  25           1HG      PRO  25   5.490   5.649  10.972
  195    HG3  PRO  25           2HG      PRO  25   4.806   6.583  12.121
  196    HD2  PRO  25           1HD      PRO  25   7.271   6.464  12.012
  197    HD3  PRO  25           2HD      PRO  25   6.505   6.501  13.453
  198    HA   PRO  26           HA       PRO  26   6.787   0.355  10.682
  199    HB2  PRO  26           1HB      PRO  26   4.639  -0.962  10.548
  200    HB3  PRO  26           2HB      PRO  26   5.612  -0.963  11.855
  201    HG2  PRO  26           1HG      PRO  26   3.337   0.285  11.597
  202    HG3  PRO  26           2HG      PRO  26   3.874  -0.490  12.928
  203    HD2  PRO  26           1HD      PRO  26   4.037   1.976  12.805
  204    HD3  PRO  26           2HD      PRO  26   5.223   1.086  13.483
  205    HA   PRO  27           HA       PRO  27   5.485   1.443   6.748
  206    HB2  PRO  27           1HB      PRO  27   5.949  -0.663   5.466
  207    HB3  PRO  27           2HB      PRO  27   7.133   0.264   6.095
  208    HG2  PRO  27           1HG      PRO  27   6.293  -2.029   7.004
  209    HG3  PRO  27           2HG      PRO  27   7.841  -1.519   6.939
  210    HD2  PRO  27           1HD      PRO  27   6.702  -1.318   9.112
  211    HD3  PRO  27           2HD      PRO  27   7.696  -0.125   8.614
  212    H    SER  28           H        SER  28   4.102   0.749   4.803
  213    HA   SER  28           HA       SER  28   1.419   0.265   5.913
  214    HB2  SER  28           1HB      SER  28   0.613   0.686   3.821
  215    HB3  SER  28           2HB      SER  28   1.854   1.892   4.234
  216    HG   SER  28           HG       SER  28   2.191  -0.366   2.548
  217    H    GLN  29           H        GLN  29  -0.044  -1.283   4.801
  218    HA   GLN  29           HA       GLN  29   0.960  -3.979   5.012
  219    HB2  GLN  29           1HB      GLN  29  -1.375  -3.300   5.455
  220    HB3  GLN  29           2HB      GLN  29  -1.571  -2.935   3.724
  221    HG2  GLN  29           1HG      GLN  29  -1.175  -5.572   3.288
  222    HG3  GLN  29           2HG      GLN  29  -0.929  -5.426   5.044
  223   HE21  GLN  29          2HE2      GLN  29  -2.732  -7.242   3.991
  224   HE22  GLN  29          1HE2      GLN  29  -4.346  -6.745   4.375
  225    H    GLY  30           H        GLY  30   2.212  -5.001   3.688
  226    HA2  GLY  30           1HA      GLY  30   2.383  -4.204   0.864
  227    HA3  GLY  30           2HA      GLY  30   3.364  -5.437   1.689
  228    H    LYS  31           H        LYS  31   1.145  -8.137   1.037
  229    HA   LYS  31           HA       LYS  31   2.900  -6.743   3.003
  230    HB2  LYS  31           1HB      LYS  31   1.903  -9.588   2.811
  231    HB3  LYS  31           2HB      LYS  31   3.005  -8.976   4.068
  232    HG2  LYS  31           1HG      LYS  31   1.276  -7.427   4.854
  233    HG3  LYS  31           2HG      LYS  31   0.173  -7.995   3.577
  234    HD2  LYS  31           1HD      LYS  31   0.233 -10.265   4.538
  235    HD3  LYS  31           2HD      LYS  31   1.325  -9.689   5.821
  236    HE2  LYS  31           1HE      LYS  31  -0.404  -8.117   6.588
  237    HE3  LYS  31           2HE      LYS  31  -1.496  -8.697   5.309
  238    HZ1  LYS  31           3HZ      LYS  31  -0.423 -10.331   7.518
  239    HZ2  LYS  31           1HZ      LYS  31  -1.961  -9.744   7.420
  240    HZ3  LYS  31           2HZ      LYS  31  -1.436 -10.869   6.333
  241    H    GLY  32           H        GLY  32   5.026  -7.218   3.328
  242    HA2  GLY  32           1HA      GLY  32   6.385  -8.256   0.902
  243    HA3  GLY  32           2HA      GLY  32   7.124  -7.284   2.195
  244    H    ARG  33           H        ARG  33   8.837  -8.914   2.089
  245    HA   ARG  33           HA       ARG  33   8.247 -11.633   3.008
  246    HB2  ARG  33           1HB      ARG  33  10.812 -10.182   2.555
  247    HB3  ARG  33           2HB      ARG  33  10.686 -11.848   3.164
  248    HG2  ARG  33           1HG      ARG  33   9.539 -12.525   1.106
  249    HG3  ARG  33           2HG      ARG  33   9.636 -10.855   0.497
  250    HD2  ARG  33           1HD      ARG  33  12.042 -11.001   0.462
  251    HD3  ARG  33           2HD      ARG  33  11.956 -12.663   1.093
  252    HE   ARG  33           HE       ARG  33  10.560 -12.715  -1.403
  253   HH11  ARG  33          1HH1      ARG  33  13.786 -11.887  -0.372
  254   HH12  ARG  33          2HH1      ARG  33  14.422 -12.416  -1.917
  255   HH21  ARG  33          1HH2      ARG  33  11.271 -13.317  -3.180
  256   HH22  ARG  33          2HH2      ARG  33  12.989 -13.230  -3.520
  257    H    GLY  34           H        GLY  34   9.159  -8.593   4.474
  258    HA2  GLY  34           1HA      GLY  34   8.970  -8.049   6.750
  259    HA3  GLY  34           2HA      GLY  34   8.692  -9.765   7.128
  260    H    LEU  35           H        LEU  35  11.371  -8.907   5.089
  261    HA   LEU  35           HA       LEU  35  13.238  -9.945   7.130
  262    HB2  LEU  35           1HB      LEU  35  13.544  -8.976   4.363
  263    HB3  LEU  35           2HB      LEU  35  14.912  -9.737   5.210
  264    HG   LEU  35           HG       LEU  35  12.296 -11.066   4.401
  265   HD11  LEU  35          1HD1      LEU  35  13.777 -12.454   2.926
  266   HD12  LEU  35          2HD1      LEU  35  13.895 -10.726   2.519
  267   HD13  LEU  35          3HD1      LEU  35  15.180 -11.507   3.471
  268   HD21  LEU  35          3HD2      LEU  35  13.067 -11.916   6.537
  269   HD22  LEU  35          1HD2      LEU  35  13.298 -13.149   5.275
  270   HD23  LEU  35          2HD2      LEU  35  14.691 -12.210   5.868
  271    H    SER  36           H        SER  36  15.032  -8.917   7.927
  272    HA   SER  36           HA       SER  36  15.444  -6.004   7.430
  273    HB2  SER  36           1HB      SER  36  13.590  -5.872   8.818
  274    HB3  SER  36           2HB      SER  36  14.365  -6.926  10.024
  275    HG   SER  36           HG       SER  36  14.612  -4.700  10.500
  Start of MODEL   10
    1    H1   SER   1           H        SER   1  -4.237  -0.728  -2.582
    2    HA   SER   1           HA       SER   1  -3.939   0.880  -5.167
    3    HB2  SER   1           1HB      SER   1  -6.492   1.485  -3.802
    4    HB3  SER   1           2HB      SER   1  -5.942   2.037  -5.401
    5    HG   SER   1           HG       SER   1  -7.285   0.185  -5.513
    6    H    GLN   2           H        GLN   2  -4.773   1.972  -1.863
    7    HA   GLN   2           HA       GLN   2  -4.329   4.735  -2.176
    8    HB2  GLN   2           1HB      GLN   2  -5.253   3.671  -0.164
    9    HB3  GLN   2           2HB      GLN   2  -3.654   2.976   0.191
   10    HG2  GLN   2           1HG      GLN   2  -2.811   5.541   0.488
   11    HG3  GLN   2           2HG      GLN   2  -4.520   5.727   0.027
   12   HE21  GLN   2          2HE2      GLN   2  -3.526   6.891   2.329
   13   HE22  GLN   2          1HE2      GLN   2  -4.189   6.092   3.716
   14    H    HIS   3           H        HIS   3  -1.945   2.229  -1.294
   15    HA   HIS   3           HA       HIS   3   0.181   4.169  -2.142
   16    HB2  HIS   3           1HB      HIS   3   0.390   1.867  -0.147
   17    HB3  HIS   3           2HB      HIS   3   1.714   2.951  -0.638
   18    HD2  HIS   3           HD2      HIS   3  -0.822   2.715   2.233
   19    HE1  HIS   3           HE1      HIS   3   0.334   6.787   1.873
   20    HE2  HIS   3           HE2      HIS   3  -0.863   4.960   3.336
   21    H    GLY   4           H        GLY   4  -1.488   1.435  -3.037
   22    HA2  GLY   4           1HA      GLY   4   0.700  -0.022  -4.279
   23    HA3  GLY   4           2HA      GLY   4  -1.040  -0.261  -4.563
   24    H    ARG   5           H        ARG   5  -1.358   2.668  -5.146
   25    HA   ARG   5           HA       ARG   5  -0.794   2.533  -8.013
   26    HB2  ARG   5           1HB      ARG   5  -2.010   4.633  -6.287
   27    HB3  ARG   5           2HB      ARG   5  -1.683   4.839  -8.023
   28    HG2  ARG   5           1HG      ARG   5  -3.153   2.943  -8.533
   29    HG3  ARG   5           2HG      ARG   5  -3.465   2.710  -6.797
   30    HD2  ARG   5           1HD      ARG   5  -4.537   4.861  -6.687
   31    HD3  ARG   5           2HD      ARG   5  -4.194   5.133  -8.412
   32    HE   ARG   5           HE       ARG   5  -5.849   2.792  -8.290
   33   HH11  ARG   5          1HH1      ARG   5  -6.144   6.137  -7.353
   34   HH12  ARG   5          2HH1      ARG   5  -7.871   6.073  -7.645
   35   HH21  ARG   5          1HH2      ARG   5  -7.826   2.700  -8.622
   36   HH22  ARG   5          2HH2      ARG   5  -8.832   4.114  -8.368
   37    H    THR   6           H        THR   6   0.804   3.813  -5.216
   38    HA   THR   6           HA       THR   6   2.506   5.623  -6.816
   39    HB   THR   6           HB       THR   6   3.563   6.204  -4.719
   40    HG1  THR   6           HG1      THR   6   2.296   3.834  -3.828
   41   HG21  THR   6          1HG2      THR   6   1.619   6.934  -3.381
   42   HG22  THR   6          2HG2      THR   6   1.335   7.198  -5.118
   43   HG23  THR   6          3HG2      THR   6   0.573   5.819  -4.291
   44    H    GLN   7           H        GLN   7   4.899   5.531  -6.424
   45    HA   GLN   7           HA       GLN   7   5.829   3.061  -7.592
   46    HB2  GLN   7           1HB      GLN   7   6.839   5.270  -8.010
   47    HB3  GLN   7           2HB      GLN   7   7.370   5.329  -6.311
   48    HG2  GLN   7           1HG      GLN   7   8.946   3.222  -6.882
   49    HG3  GLN   7           2HG      GLN   7   8.028   3.432  -8.391
   50   HE21  GLN   7          2HE2      GLN   7  10.826   3.353  -8.304
   51   HE22  GLN   7          1HE2      GLN   7  11.443   4.914  -8.734
   52    H    ASP   8           H        ASP   8   6.718   1.303  -6.800
   53    HA   ASP   8           HA       ASP   8   6.501   0.634  -4.033
   54    HB2  ASP   8           1HB      ASP   8   8.236  -0.632  -6.239
   55    HB3  ASP   8           2HB      ASP   8   8.037  -1.121  -4.539
   56    H    GLU   9           H        GLU   9   7.519   1.372  -2.363
   57    HA   GLU   9           HA       GLU   9  10.232   2.541  -2.686
   58    HB2  GLU   9           1HB      GLU   9   8.393   2.368  -0.293
   59    HB3  GLU   9           2HB      GLU   9   9.950   3.228  -0.360
   60    HG2  GLU   9           1HG      GLU   9   8.918   4.739  -2.184
   61    HG3  GLU   9           2HG      GLU   9   7.437   3.806  -1.868
   62    H    ASN  10           H        ASN  10  12.046   1.881  -1.625
   63    HA   ASN  10           HA       ASN  10  12.137  -0.939  -0.791
   64    HB2  ASN  10           1HB      ASN  10  14.469   1.123  -0.740
   65    HB3  ASN  10           2HB      ASN  10  14.236  -0.573  -0.250
   66   HD21  ASN  10          2HD2      ASN  10  15.867   0.874  -2.364
   67   HD22  ASN  10          1HD2      ASN  10  15.547  -0.013  -3.818
   68    HA   PRO  11           HA       PRO  11  11.222  -0.192   3.361
   69    HB2  PRO  11           1HB      PRO  11  11.897  -2.500   4.139
   70    HB3  PRO  11           2HB      PRO  11  10.522  -2.191   3.320
   71    HG2  PRO  11           1HG      PRO  11  12.689  -3.294   2.381
   72    HG3  PRO  11           2HG      PRO  11  11.154  -3.720   2.034
   73    HD2  PRO  11           1HD      PRO  11  12.464  -2.343   0.441
   74    HD3  PRO  11           2HD      PRO  11  10.872  -2.082   0.690
   75    H    VAL  12           H        VAL  12  14.224  -1.225   2.154
   76    HA   VAL  12           HA       VAL  12  15.762  -0.998   4.609
   77    HB   VAL  12           HB       VAL  12  16.575  -0.741   1.684
   78   HG11  VAL  12          1HG1      VAL  12  18.882  -1.059   2.517
   79   HG12  VAL  12          2HG1      VAL  12  18.160   0.427   3.178
   80   HG13  VAL  12          3HG1      VAL  12  18.281  -1.031   4.191
   81   HG21  VAL  12          3HG2      VAL  12  15.703  -2.933   2.237
   82   HG22  VAL  12          1HG2      VAL  12  17.461  -3.001   1.973
   83   HG23  VAL  12          2HG2      VAL  12  16.809  -3.042   3.629
   84    H    VAL  13           H        VAL  13  14.720   1.334   2.193
   85    HA   VAL  13           HA       VAL  13  16.317   3.540   3.202
   86    HB   VAL  13           HB       VAL  13  13.657   3.475   1.717
   87   HG11  VAL  13          1HG1      VAL  13  14.076   5.871   1.278
   88   HG12  VAL  13          2HG1      VAL  13  13.910   5.560   3.021
   89   HG13  VAL  13          3HG1      VAL  13  15.523   5.808   2.311
   90   HG21  VAL  13          3HG2      VAL  13  15.497   2.560   0.434
   91   HG22  VAL  13          1HG2      VAL  13  14.994   4.137  -0.218
   92   HG23  VAL  13          2HG2      VAL  13  16.473   4.011   0.763
   93    H    HIS  14           H        HIS  14  13.107   2.306   4.051
   94    HA   HIS  14           HA       HIS  14  12.695   4.414   6.037
   95    HB2  HIS  14           1HB      HIS  14  11.247   1.802   5.432
   96    HB3  HIS  14           2HB      HIS  14  10.765   2.908   6.740
   97    HD2  HIS  14           HD2      HIS  14  10.010   2.394   2.974
   98    HE1  HIS  14           HE1      HIS  14   8.874   6.348   4.037
   99    HE2  HIS  14           HE2      HIS  14   8.763   4.434   2.239
  100    H    PHE  15           H        PHE  15  14.175   1.259   5.987
  101    HA   PHE  15           HA       PHE  15  14.395   0.996   8.871
  102    HB2  PHE  15           1HB      PHE  15  16.039  -0.175   6.586
  103    HB3  PHE  15           2HB      PHE  15  16.223  -0.622   8.298
  104    HD1  PHE  15           HD1      PHE  15  12.967  -0.173   8.420
  105    HD2  PHE  15           HD2      PHE  15  15.737  -2.654   6.318
  106    HE1  PHE  15           HE1      PHE  15  11.218  -1.900   8.159
  107    HE2  PHE  15           HE2      PHE  15  13.990  -4.384   6.052
  108    HZ   PHE  15           HZ       PHE  15  11.731  -4.006   6.974
  109    H    PHE  16           H        PHE  16  16.522   2.356   6.352
  110    HA   PHE  16           HA       PHE  16  18.555   3.344   8.082
  111    HB2  PHE  16           1HB      PHE  16  18.779   3.429   5.637
  112    HB3  PHE  16           2HB      PHE  16  17.412   4.562   5.530
  113    HD1  PHE  16           HD1      PHE  16  20.872   4.158   6.783
  114    HD2  PHE  16           HD2      PHE  16  17.712   6.853   5.784
  115    HE1  PHE  16           HE1      PHE  16  22.436   6.062   6.979
  116    HE2  PHE  16           HE2      PHE  16  19.274   8.759   5.977
  117    HZ   PHE  16           HZ       PHE  16  21.637   8.363   6.576
  118    H    LYS  17           H        LYS  17  15.467   4.840   7.110
  119    HA   LYS  17           HA       LYS  17  15.754   7.200   8.704
  120    HB2  LYS  17           1HB      LYS  17  13.332   5.640   7.804
  121    HB3  LYS  17           2HB      LYS  17  13.246   7.194   8.668
  122    HG2  LYS  17           1HG      LYS  17  14.468   8.287   6.836
  123    HG3  LYS  17           2HG      LYS  17  14.572   6.734   5.973
  124    HD2  LYS  17           1HD      LYS  17  12.107   6.639   5.867
  125    HD3  LYS  17           2HD      LYS  17  12.017   8.205   6.706
  126    HE2  LYS  17           1HE      LYS  17  13.274   9.251   4.858
  127    HE3  LYS  17           2HE      LYS  17  13.319   7.687   4.014
  128    HZ1  LYS  17           3HZ      LYS  17  10.877   9.195   4.701
  129    HZ2  LYS  17           1HZ      LYS  17  11.546   9.086   3.198
  130    HZ3  LYS  17           2HZ      LYS  17  10.918   7.742   3.919
  131    H    ASN  18           H        ASN  18  14.577   3.958   9.493
  132    HA   ASN  18           HA       ASN  18  13.695   4.608  12.160
  133    HB2  ASN  18           1HB      ASN  18  13.204   2.286  10.828
  134    HB3  ASN  18           2HB      ASN  18  14.921   2.192  11.289
  135   HD21  ASN  18          2HD2      ASN  18  15.093   0.739  12.810
  136   HD22  ASN  18          1HD2      ASN  18  14.120   0.634  14.239
  137    H    ILE  19           H        ILE  19  16.834   3.839  10.785
  138    HA   ILE  19           HA       ILE  19  18.140   3.472  13.380
  139    HB   ILE  19           HB       ILE  19  19.208   4.011  10.574
  140   HG12  ILE  19          1HG1      ILE  19  19.391   1.530  12.258
  141   HG13  ILE  19          2HG1      ILE  19  18.103   1.835  11.069
  142   HG21  ILE  19          1HG2      ILE  19  21.436   3.485  11.509
  143   HG22  ILE  19          2HG2      ILE  19  20.745   4.934  12.276
  144   HG23  ILE  19          3HG2      ILE  19  20.727   3.379  13.138
  145   HD11  ILE  19          3HD1      ILE  19  21.078   1.681  10.468
  146   HD12  ILE  19          1HD1      ILE  19  19.877   0.418  10.115
  147   HD13  ILE  19          2HD1      ILE  19  19.790   1.987   9.280
  148    H    VAL  20           H        VAL  20  17.770   6.195  11.141
  149    HA   VAL  20           HA       VAL  20  19.584   7.825  12.867
  150    HB   VAL  20           HB       VAL  20  19.471   9.475  11.081
  151   HG11  VAL  20          1HG1      VAL  20  20.425   8.165   9.213
  152   HG12  VAL  20          2HG1      VAL  20  21.058   7.603  10.779
  153   HG13  VAL  20          3HG1      VAL  20  19.796   6.668   9.942
  154   HG21  VAL  20          3HG2      VAL  20  17.130   9.247  10.502
  155   HG22  VAL  20          1HG2      VAL  20  18.154   9.115   9.054
  156   HG23  VAL  20          2HG2      VAL  20  17.444   7.653   9.777
  157    H    THR  21           H        THR  21  16.244   7.265  12.416
  158    HA   THR  21           HA       THR  21  15.691   9.701  14.078
  159    HB   THR  21           HB       THR  21  13.863   8.413  12.008
  160    HG1  THR  21           HG1      THR  21  14.190  10.454  10.941
  161   HG21  THR  21          1HG2      THR  21  12.375  10.321  12.502
  162   HG22  THR  21          2HG2      THR  21  12.650   9.331  13.955
  163   HG23  THR  21          3HG2      THR  21  13.506  10.878  13.757
  164    HA   PRO  22           HA       PRO  22  14.505   6.744  16.954
  165    HB2  PRO  22           1HB      PRO  22  13.662   8.429  18.649
  166    HB3  PRO  22           2HB      PRO  22  15.239   8.147  18.354
  167    HG2  PRO  22           1HG      PRO  22  13.840  10.194  17.554
  168    HG3  PRO  22           2HG      PRO  22  15.381  10.221  18.091
  169    HD2  PRO  22           1HD      PRO  22  14.834  10.339  15.665
  170    HD3  PRO  22           2HD      PRO  22  16.123   9.517  16.234
  171    H    ARG  23           H        ARG  23  12.402   9.212  15.839
  172    HA   ARG  23           HA       ARG  23   9.961   7.900  16.766
  173    HB2  ARG  23           1HB      ARG  23  10.382  10.063  14.752
  174    HB3  ARG  23           2HB      ARG  23   8.808   9.437  15.296
  175    HG2  ARG  23           1HG      ARG  23   9.260  10.185  17.569
  176    HG3  ARG  23           2HG      ARG  23  10.882  10.739  17.086
  177    HD2  ARG  23           1HD      ARG  23   9.862  12.375  15.608
  178    HD3  ARG  23           2HD      ARG  23   8.253  11.838  16.145
  179    HE   ARG  23           HE       ARG  23   9.655  12.764  18.489
  180   HH11  ARG  23          1HH1      ARG  23   8.500  14.112  15.487
  181   HH12  ARG  23          2HH1      ARG  23   8.260  15.663  16.269
  182   HH21  ARG  23          1HH2      ARG  23   9.393  14.536  19.396
  183   HH22  ARG  23          2HH2      ARG  23   8.770  15.906  18.497
  184    H    THR  24           H        THR  24   8.644   6.521  15.797
  185    HA   THR  24           HA       THR  24   9.747   4.736  13.863
  186    HB   THR  24           HB       THR  24   6.812   5.176  14.561
  187    HG1  THR  24           HG1      THR  24   7.238   3.424  16.032
  188   HG21  THR  24          1HG2      THR  24   6.553   2.836  13.812
  189   HG22  THR  24          2HG2      THR  24   7.165   3.866  12.494
  190   HG23  THR  24          3HG2      THR  24   8.276   2.786  13.370
  191    HA   PRO  25           HA       PRO  25   9.006   7.049  10.268
  192    HB2  PRO  25           1HB      PRO  25  10.148   5.430   8.738
  193    HB3  PRO  25           2HB      PRO  25  10.970   6.375   9.780
  194    HG2  PRO  25           1HG      PRO  25  10.517   3.819  10.008
  195    HG3  PRO  25           2HG      PRO  25  11.900   4.597  10.384
  196    HD2  PRO  25           1HD      PRO  25  10.414   4.102  12.277
  197    HD3  PRO  25           2HD      PRO  25  11.176   5.544  12.231
  198    HA   PRO  26           HA       PRO  26   5.534   5.278   8.498
  199    HB2  PRO  26           1HB      PRO  26   5.710   6.165   6.138
  200    HB3  PRO  26           2HB      PRO  26   5.324   7.090   7.422
  201    HG2  PRO  26           1HG      PRO  26   7.612   7.018   6.177
  202    HG3  PRO  26           2HG      PRO  26   6.864   8.346   6.758
  203    HD2  PRO  26           1HD      PRO  26   8.743   7.317   8.007
  204    HD3  PRO  26           2HD      PRO  26   7.447   7.942   8.774
  205    HA   PRO  27           HA       PRO  27   6.646   1.660   6.498
  206    HB2  PRO  27           1HB      PRO  27   4.430   0.969   5.543
  207    HB3  PRO  27           2HB      PRO  27   4.736   0.978   7.144
  208    HG2  PRO  27           1HG      PRO  27   3.295   2.696   5.817
  209    HG3  PRO  27           2HG      PRO  27   2.968   2.092   7.297
  210    HD2  PRO  27           1HD      PRO  27   3.992   4.330   7.217
  211    HD3  PRO  27           2HD      PRO  27   4.467   3.270   8.363
  212    H    SER  28           H        SER  28   7.111   0.644   4.499
  213    HA   SER  28           HA       SER  28   7.647   2.433   2.302
  214    HB2  SER  28           1HB      SER  28   8.960   0.605   2.541
  215    HB3  SER  28           2HB      SER  28   7.575  -0.510   2.509
  216    HG   SER  28           HG       SER  28   8.755  -0.282   0.495
  217    H    GLN  29           H        GLN  29   6.353   3.204   0.761
  218    HA   GLN  29           HA       GLN  29   3.591   2.313   0.458
  219    HB2  GLN  29           1HB      GLN  29   5.353   4.090  -1.244
  220    HB3  GLN  29           2HB      GLN  29   3.612   3.824  -1.502
  221    HG2  GLN  29           1HG      GLN  29   3.310   4.954   0.978
  222    HG3  GLN  29           2HG      GLN  29   5.064   5.019   0.685
  223   HE21  GLN  29          2HE2      GLN  29   1.897   6.252  -0.285
  224   HE22  GLN  29          1HE2      GLN  29   2.481   7.667  -1.095
  225    H    GLY  30           H        GLY  30   2.651   1.071  -1.028
  226    HA2  GLY  30           1HA      GLY  30   2.463  -0.427  -2.795
  227    HA3  GLY  30           2HA      GLY  30   4.069   0.087  -3.361
  228    H    LYS  31           H        LYS  31   4.788  -1.992  -3.799
  229    HA   LYS  31           HA       LYS  31   4.587  -4.186  -1.940
  230    HB2  LYS  31           1HB      LYS  31   4.959  -4.414  -4.369
  231    HB3  LYS  31           2HB      LYS  31   6.583  -3.715  -4.161
  232    HG2  LYS  31           1HG      LYS  31   7.249  -5.605  -2.767
  233    HG3  LYS  31           2HG      LYS  31   5.610  -6.291  -2.879
  234    HD2  LYS  31           1HD      LYS  31   5.872  -6.516  -5.320
  235    HD3  LYS  31           2HD      LYS  31   7.516  -5.842  -5.202
  236    HE2  LYS  31           1HE      LYS  31   8.182  -7.716  -3.759
  237    HE3  LYS  31           2HE      LYS  31   6.541  -8.392  -3.876
  238    HZ1  LYS  31           3HZ      LYS  31   8.404  -8.010  -6.133
  239    HZ2  LYS  31           1HZ      LYS  31   8.052  -9.452  -5.413
  240    HZ3  LYS  31           2HZ      LYS  31   6.882  -8.636  -6.242
  241    H    GLY  32           H        GLY  32   5.775  -4.863  -0.317
  242    HA2  GLY  32           1HA      GLY  32   7.819  -5.078   0.915
  243    HA3  GLY  32           2HA      GLY  32   8.419  -3.587   0.153
  244    H    ARG  33           H        ARG  33   5.151  -3.530   1.232
  245    HA   ARG  33           HA       ARG  33   5.616  -1.297   2.969
  246    HB2  ARG  33           1HB      ARG  33   3.535  -1.693   1.814
  247    HB3  ARG  33           2HB      ARG  33   3.230  -3.089   2.874
  248    HG2  ARG  33           1HG      ARG  33   3.152  -1.634   4.822
  249    HG3  ARG  33           2HG      ARG  33   3.563  -0.224   3.816
  250    HD2  ARG  33           1HD      ARG  33   1.473  -0.474   2.622
  251    HD3  ARG  33           2HD      ARG  33   1.062  -1.875   3.640
  252    HE   ARG  33           HE       ARG  33   1.384   0.404   5.391
  253   HH11  ARG  33          1HH1      ARG  33  -0.753  -0.622   2.835
  254   HH12  ARG  33          2HH1      ARG  33  -2.068   0.281   3.563
  255   HH21  ARG  33          1HH2      ARG  33  -0.108   1.451   6.232
  256   HH22  ARG  33          2HH2      ARG  33  -1.700   1.464   5.500
  257    H    GLY  34           H        GLY  34   5.955  -1.050   5.058
  258    HA2  GLY  34           1HA      GLY  34   6.814  -3.439   6.537
  259    HA3  GLY  34           2HA      GLY  34   6.981  -1.744   7.050
  260    H    LEU  35           H        LEU  35   6.288  -2.694   9.144
  261    HA   LEU  35           HA       LEU  35   3.349  -3.252   9.255
  262    HB2  LEU  35           1HB      LEU  35   5.576  -3.714  11.129
  263    HB3  LEU  35           2HB      LEU  35   3.923  -4.217  11.550
  264    HG   LEU  35           HG       LEU  35   5.647  -5.325   9.301
  265   HD11  LEU  35          1HD1      LEU  35   5.532  -7.450  10.628
  266   HD12  LEU  35          2HD1      LEU  35   6.283  -6.140  11.568
  267   HD13  LEU  35          3HD1      LEU  35   4.591  -6.601  11.876
  268   HD21  LEU  35          3HD2      LEU  35   3.319  -5.224   8.632
  269   HD22  LEU  35          1HD2      LEU  35   3.796  -6.915   8.916
  270   HD23  LEU  35          2HD2      LEU  35   2.823  -6.049  10.130
  271    H    SER  36           H        SER  36   5.324  -0.692   9.479
  272    HA   SER  36           HA       SER  36   4.727   0.642  11.941
  273    HB2  SER  36           1HB      SER  36   6.410   1.384  10.545
  274    HB3  SER  36           2HB      SER  36   5.249   1.746   9.248
  275    HG   SER  36           HG       SER  36   5.896   3.542  10.647