*HEADER    SIGNALING PROTEIN                       18-APR-13   2M76              
*TITLE     STRUCTURE OF THE REGULATORY DOMAIN OF HUMAN BRAIN CARNITINE           
*TITLE    2 PALMITOYLTRANSFERASE 1                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CARNITINE O-PALMITOYLTRANSFERASE 1, BRAIN ISOFORM;         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: REGULATORY DOMAIN;                                         
*COMPND   5 SYNONYM: CPT1-B, CPT IC, CARNITINE O-PALMITOYLTRANSFERASE I, BRAIN   
*COMPND   6 ISOFORM, CPTI-B, CARNITINE PALMITOYLTRANSFERASE 1C;                  
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: CPT1C, CATL1;                                                  
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET44-NCPT1C                              
*KEYWDS    ACYL TRANSFER, CARNITINE, MALONYL-COENZYME A, SIGNALING PROTEIN       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.SAMANTA, A.J.SITU, T.S.ULMER                                        
*REVDAT   1   11-SEP-13 2M76    0                                                


DATA SEQUENCE ?MAEAHQAVGF RPSLTSDGAE VELSAPVLQE IYLSGLRSWK
DATA SEQUENCE RHLSRFWNDF

VARS   RESID_I RESNAME_I ATOMNAME_I RESID_J RESNAME_J ATOMNAME_J D DD W
FORMAT %5d     %6s       %6s        %5d     %6s    %6s %9.3f %9.3f %.2f

#    3    GLU     HN     3    GLU      N      2.073       1.000  1.00
#    4    ALA     HN     4    ALA      N      2.137       1.000  1.00
#    5    HIS     HN     5    HIS      N      3.183       1.000  1.00
#    7    ALA     HN     7    ALA      N      1.738       1.000  1.00
#    8    VAL     HN     8    VAL      N      2.946       1.000  1.00
#    9    GLY     HN     9    GLY      N      3.225       1.000  1.00
#   10    PHE     HN    10    PHE      N      2.618       1.000  1.00
#   11    ARG     HN    11    ARG      N      4.837       1.000  1.00
#   13    SER     HN    13    SER      N      4.576       1.000  1.00
#   14    LEU     HN    14    LEU      N      4.448       1.000  1.00
#   15    THR     HN    15    THR      N      3.635       1.000  1.00
#   16    SER     HN    16    SER      N      2.714       1.000  1.00
#   18    GLY     HN    18    GLY      N      0.704       1.000  1.00
#   19    ALA     HN    19    ALA      N      0.272       1.000  1.00
#   20    GLU     HN    20    GLU      N      0.305       1.000  1.00
#   21    VAL     HN    21    VAL      N      2.807       1.000  1.00
#   22    GLU     HN    22    GLU      N      4.189       1.000  1.00
   23    LEU     HN    23    LEU      N      3.971       1.000  1.00
   24    SER     HN    24    SER      N      5.411       1.000  1.00
   25    ALA     HN    25    ALA      N     -8.425       1.000  1.00
   27    VAL     HN    27    VAL      N     -6.527       1.000  1.00
   28    LEU     HN    28    LEU      N    -14.661       1.000  1.00
   29    GLN     HN    29    GLN      N    -16.416       1.000  1.00
   30    GLU     HN    30    GLU      N    -13.536       1.000  1.00
   31    ILE     HN    31    ILE      N    -10.116       1.000  1.00
   32    TYR     HN    32    TYR      N    -15.206       1.000  1.00
   33    LEU     HN    33    LEU      N    -15.887       1.000  1.00
   34    SER     HN    34    SER      N    -11.054       1.000  1.00
   35    GLY     HN    35    GLY      N    -10.212       1.000  1.00
   36    LEU     HN    36    LEU      N    -16.561       1.000  1.00
   37    ARG     HN    37    ARG      N    -15.481       1.000  1.00
   38    SER     HN    38    SER      N    -10.378       1.000  1.00
   39    TRP     HN    39    TRP      N    -11.826       1.000  1.00
   40    LYS     HN    40    LYS      N     -9.989       1.000  1.00
   41    ARG     HN    41    ARG      N    -11.421       1.000  1.00
   42    HIS     HN    42    HIS      N     -7.839       1.000  1.00
   43    LEU     HN    43    LEU      N     -3.181       1.000  1.00
   44    SER     HN    44    SER      N      0.066       1.000  1.00
   45    ARG     HN    45    ARG      N     -1.248       1.000  1.00
   46    PHE     HN    46    PHE      N     -5.717       1.000  1.00
   47    TRP     HN    47    TRP      N      4.054       1.000  1.00
#   48    ASN     HN    48    ASN      N      5.726       1.000  1.00
#   49    ASP     HN    49    ASP      N     -5.585       1.000  1.00
#   50    PHE     HN    50    PHE      N      0.864       1.000  1.00


#    2    ALA      C     2    ALA     CA     -0.020       0.200  5.00
#    3    GLU      C     3    GLU     CA      0.020       0.200  5.00
#    4    ALA      C     4    ALA     CA     -0.320       0.200  5.00
#    6    GLN      C     6    GLN     CA     -0.180       0.200  5.00
#    7    ALA      C     7    ALA     CA     -0.140       0.200  5.00
#    8    VAL      C     8    VAL     CA     -0.430       0.200  5.00
#    9    GLY      C     9    GLY     CA     -0.730       0.200  5.00
#   10    PHE      C    10    PHE     CA     -0.150       0.200  5.00
#   12    PRO      C    12    PRO     CA      0.010       0.200  5.00
#   13    SER      C    13    SER     CA     -0.670       0.200  5.00
#   14    LEU      C    14    LEU     CA     -0.200       0.200  5.00
#   15    THR      C    15    THR     CA     -0.300       0.200  5.00
#   17    ASP      C    17    ASP     CA      0.110       0.200  5.00
#   18    GLY      C    18    GLY     CA     -0.600       0.200  5.00
#   19    ALA      C    19    ALA     CA     -0.160       0.200  5.00
#   20    GLU      C    20    GLU     CA     -0.270       0.200  5.00
#   21    VAL      C    21    VAL     CA      0.250       0.200  5.00
#   22    GLU      C    22    GLU     CA     -0.520       0.200  5.00
   23    LEU      C    23    LEU     CA      0.140       0.200  5.00
   24    SER      C    24    SER     CA     -0.850       0.200  5.00
   26    PRO      C    26    PRO     CA     -1.020       0.200  5.00
   27    VAL      C    27    VAL     CA     -1.300       0.200  5.00
   28    LEU      C    28    LEU     CA     -0.230       0.200  5.00
   29    GLN      C    29    GLN     CA      0.860       0.200  5.00
   30    GLU      C    30    GLU     CA     -1.170       0.200  5.00
   31    ILE      C    31    ILE     CA     -0.500       0.200  5.00
   32    TYR      C    32    TYR     CA      0.600       0.200  5.00
   33    LEU      C    33    LEU     CA     -0.250       0.200  5.00
   34    SER      C    34    SER     CA     -1.470       0.200  5.00
   35    GLY      C    35    GLY     CA     -0.790       0.200  5.00
   36    LEU      C    36    LEU     CA      0.700       0.200  5.00
   37    ARG      C    37    ARG     CA     -1.090       0.200  5.00
   38    SER      C    38    SER     CA     -0.030       0.200  5.00
   39    TRP      C    39    TRP     CA     -1.930       0.200  5.00
   40    LYS      C    40    LYS     CA     -0.470       0.200  5.00
   41    ARG      C    41    ARG     CA     -0.200       0.200  5.00
   42    HIS      C    42    HIS     CA      0.960       0.200  5.00
   43    LEU      C    43    LEU     CA     -1.200       0.200  5.00
   44    SER      C    44    SER     CA     -1.250       0.200  5.00
   45    ARG      C    45    ARG     CA      0.610       0.200  5.00
   46    PHE      C    46    PHE     CA      1.260       0.200  5.00
   47    TRP      C    47    TRP     CA     -1.660       0.200  5.00
#   48    ASN      C    48    ASN     CA      0.620       0.200  5.00
#   49    ASP      C    49    ASP     CA      1.000       0.200  5.00


#    1    MET      C     2    ALA      N     -0.032       0.125  8.00
#    2    ALA      C     3    GLU      N     -0.188       0.125  8.00
#    3    GLU      C     4    ALA      N      0.058       0.125  8.00
#    4    ALA      C     5    HIS      N     -0.080       0.125  8.00
#    6    LYS      C     7    ALA      N     -0.038       0.125  8.00
#    7    ALA      C     8    VAL      N     -0.108       0.125  8.00
#    8    VAL      C     9    GLY      N      0.024       0.125  8.00
#    9    GLY      C    10    PHE      N     -0.154       0.125  8.00
#   10    PHE      C    11    ARG      N     -0.194       0.125  8.00
#   12    LYS      C    13    SER      N      0.002       0.125  8.00
#   13    SER      C    14    LEU      N     -0.056       0.125  8.00
#   14    LEU      C    15    THR      N     -0.096       0.125  8.00
#   15    THR      C    16    SER      N      0.096       0.125  8.00
#   17    ASN      C    18    GLY      N      0.226       0.125  8.00
#   18    GLY      C    19    ALA      N     -0.138       0.125  8.00
#   19    ALA      C    20    GLU      N      0.160       0.125  8.00
#   20    GLU      C    21    VAL      N     -0.002       0.125  8.00
#   21    VAL      C    22    GLU      N     -0.056       0.125  8.00
#   22    GLU      C    23    LEU      N      0.604       0.125  8.00
   23    LEU      C    24    SER      N      0.386       0.125  8.00
   24    SER      C    25    ALA      N      0.418       0.125  8.00
   26    VAL      C    27    VAL      N      0.236       0.125  8.00
   27    VAL      C    28    LEU      N      1.220       0.125  8.00
   28    LEU      C    29    GLN      N     -0.106       0.125  8.00
   29    GLN      C    30    GLU      N      0.648       0.125  8.00
   30    GLU      C    31    ILE      N      0.934       0.125  8.00
   31    ILE      C    32    TYR      N      0.690       0.125  8.00
   32    TYR      C    33    LEU      N      0.188       0.125  8.00
   33    LEU      C    34    SER      N      0.304       0.125  8.00
   34    SER      C    35    GLY      N      1.266       0.125  8.00
   35    GLY      C    36    LEU      N      0.808       0.125  8.00
   36    LEU      C    37    ARG      N      0.792       0.125  8.00
   37    ARG      C    38    SER      N      0.384       0.125  8.00
   38    SER      C    39    TRP      N      0.920       0.125  8.00
   39    TRP      C    40    LYS      N      0.478       0.125  8.00
   40    LYS      C    41    ARG      N      0.628       0.125  8.00
   41    ARG      C    42    HIS      N     -0.170       0.125  8.00
   42    HIS      C    43    LEU      N      0.480       0.125  8.00
   43    LEU      C    44    SER      N      0.458       0.125  8.00
   44    SER      C    45    ARG      N      0.432       0.125  8.00
   45    ARG      C    46    PHE      N     -0.608       0.125  8.00
   46    PHE      C    47    TRP      N      0.338       0.125  8.00
#   47    TRP      C    48    ASN      N     -0.278       0.125  8.00
#   48    ASN      C    49    ASP      N     -0.142       0.125  8.00
#   49    ASP      C    50    PHE      N      0.100       0.125  8.00

! Talos+, 2 stddev

assign (resid  21 and name  c) (resid  22 and name n)
       (resid  22 and name ca) (resid  22 and name c)  1.0  -91.0   50.0   2
assign (resid  22 and name n) (resid  22 and name ca)
       (resid  22 and name c) (resid  23 and name  n)  1.0   -8.0   54.0   2

assign (resid  24 and name  c) (resid  25 and name n)
       (resid  25 and name ca) (resid  25 and name c)  1.0  -59.0    8.0   2
assign (resid  25 and name n) (resid  25 and name ca)
       (resid  25 and name c) (resid  26 and name  n)  1.0  -43.0   18.0   2

assign (resid  25 and name  c) (resid  26 and name n)
       (resid  26 and name ca) (resid  26 and name c)  1.0  -56.9    8.5   2
assign (resid  26 and name n) (resid  26 and name ca)
       (resid  26 and name c) (resid  27 and name  n)  1.0  -36.3   25.0   2

assign (resid  26 and name  c) (resid  27 and name n)
       (resid  27 and name ca) (resid  27 and name c)  1.0  -66.6   17.4   2
assign (resid  27 and name n) (resid  27 and name ca)
       (resid  27 and name c) (resid  28 and name  n)  1.0  -37.9   23.9   2

assign (resid  27 and name  c) (resid  28 and name n)
       (resid  28 and name ca) (resid  28 and name c)  1.0  -59.4   12.8   2
assign (resid  28 and name n) (resid  28 and name ca)
       (resid  28 and name c) (resid  29 and name  n)  1.0  -41.7   12.3   2

assign (resid  28 and name  c) (resid  29 and name n)
       (resid  29 and name ca) (resid  29 and name c)  1.0  -60.7    6.2   2
assign (resid  29 and name n) (resid  29 and name ca)
       (resid  29 and name c) (resid  30 and name  n)  1.0  -44.2   12.7   2

assign (resid  29 and name  c) (resid  30 and name n)
       (resid  30 and name ca) (resid  30 and name c)  1.0  -63.0    8.0   2
assign (resid  30 and name n) (resid  30 and name ca)
       (resid  30 and name c) (resid  31 and name  n)  1.0  -41.0    4.0   2

assign (resid  30 and name  c) (resid  31 and name n)
       (resid  31 and name ca) (resid  31 and name c)  1.0  -65.5   10.8   2
assign (resid  31 and name n) (resid  31 and name ca)
       (resid  31 and name c) (resid  32 and name  n)  1.0  -42.9    7.4   2

assign (resid  31 and name  c) (resid  32 and name n)
       (resid  32 and name ca) (resid  32 and name c)  1.0  -62.2   11.1   2
assign (resid  32 and name n) (resid  32 and name ca)
       (resid  32 and name c) (resid  33 and name  n)  1.0  -46.7   13.6   2

assign (resid  32 and name  c) (resid  33 and name n)
       (resid  33 and name ca) (resid  33 and name c)  1.0  -58.1   11.4   2
assign (resid  33 and name n) (resid  33 and name ca)
       (resid  33 and name c) (resid  34 and name  n)  1.0  -40.3   12.4   2

assign (resid  33 and name  c) (resid  34 and name n)
       (resid  34 and name ca) (resid  34 and name c)  1.0  -65.4    7.2   2
assign (resid  34 and name n) (resid  34 and name ca)
       (resid  34 and name c) (resid  35 and name  n)  1.0  -37.0   12.0   2

assign (resid  34 and name  c) (resid  35 and name n)
       (resid  35 and name ca) (resid  35 and name c)  1.0  -66.9   17.1   2
assign (resid  35 and name n) (resid  35 and name ca)
       (resid  35 and name c) (resid  36 and name  n)  1.0  -43.1   15.9   2

assign (resid  35 and name  c) (resid  36 and name n)
       (resid  36 and name ca) (resid  36 and name c)  1.0  -61.0    8.0   2
assign (resid  36 and name n) (resid  36 and name ca)
       (resid  36 and name c) (resid  37 and name  n)  1.0  -42.0   12.0   2

assign (resid  36 and name  c) (resid  37 and name n)
       (resid  37 and name ca) (resid  37 and name c)  1.0  -65.0   12.0   2
assign (resid  37 and name n) (resid  37 and name ca)
       (resid  37 and name c) (resid  38 and name  n)  1.0  -38.0   20.0   2

assign (resid  37 and name  c) (resid  38 and name n)
       (resid  38 and name ca) (resid  38 and name c)  1.0  -62.0    8.0   2
assign (resid  38 and name n) (resid  38 and name ca)
       (resid  38 and name c) (resid  39 and name  n)  1.0  -42.0    6.0   2

assign (resid  38 and name  c) (resid  39 and name n)
       (resid  39 and name ca) (resid  39 and name c)  1.0  -65.0   12.0   2
assign (resid  39 and name n) (resid  39 and name ca)
       (resid  39 and name c) (resid  40 and name  n)  1.0  -43.0    8.0   2

assign (resid  39 and name  c) (resid  40 and name n)
       (resid  40 and name ca) (resid  40 and name c)  1.0  -63.0   12.0   2
assign (resid  40 and name n) (resid  40 and name ca)
       (resid  40 and name c) (resid  41 and name  n)  1.0  -44.0   14.0   2

assign (resid  40 and name  c) (resid  41 and name n)
       (resid  41 and name ca) (resid  41 and name c)  1.0  -71.3   11.1   2
assign (resid  41 and name n) (resid  41 and name ca)
       (resid  41 and name c) (resid  42 and name  n)  1.0  -33.3   24.6   2

assign (resid  41 and name  c) (resid  42 and name n)
       (resid  42 and name ca) (resid  42 and name c)  1.0  -65.4   13.9   2
assign (resid  42 and name n) (resid  42 and name ca)
       (resid  42 and name c) (resid  43 and name  n)  1.0  -34.8   28.6   2

assign (resid  42 and name  c) (resid  43 and name n)
       (resid  43 and name ca) (resid  43 and name c)  1.0  -64.0   13.6   2
assign (resid  43 and name n) (resid  43 and name ca)
       (resid  43 and name c) (resid  44 and name  n)  1.0  -38.3   21.6   2

assign (resid  43 and name  c) (resid  44 and name n)
       (resid  44 and name ca) (resid  44 and name c)  1.0  -62.0   10.0   2
assign (resid  44 and name n) (resid  44 and name ca)
       (resid  44 and name c) (resid  45 and name  n)  1.0  -36.0   20.0   2

assign (resid  44 and name  c) (resid  45 and name n)
       (resid  45 and name ca) (resid  45 and name c)  1.0  -67.6   15.9   2
assign (resid  45 and name n) (resid  45 and name ca)
       (resid  45 and name c) (resid  46 and name  n)  1.0  -36.9   20.3   2

assign (resid  45 and name  c) (resid  46 and name n)
       (resid  46 and name ca) (resid  46 and name c)  1.0  -68.6   15.8   2
assign (resid  46 and name n) (resid  46 and name ca)
       (resid  46 and name c) (resid  47 and name  n)  1.0  -29.9   27.7   2

assign (resid  46 and name  c) (resid  47 and name n)
       (resid  47 and name ca) (resid  47 and name c)  1.0  -75.0   26.0   2
assign (resid  47 and name n) (resid  47 and name ca)
       (resid  47 and name c) (resid  48 and name  n)  1.0  -29.0   34.0   2

assign (resid  47 and name  c) (resid  48 and name n)
       (resid  48 and name ca) (resid  48 and name c)  1.0  -83.0   36.0   2
assign (resid  48 and name n) (resid  48 and name ca)
       (resid  48 and name c) (resid  49 and name  n)  1.0  -26.0   40.0   2

!assign (resid  48 and name  c) (resid  49 and name n)
!       (resid  49 and name ca) (resid  49 and name c)  1.0  -97.0   22.0   2
!assign (resid  49 and name n) (resid  49 and name ca)
!       (resid  49 and name c) (resid  50 and name  n)  1.0    0.0   38.0   2


! experimental Chi1

assign (resid  28 and name   N)
       (resid  28 and name  CA)
       (resid  28 and name  CB)
       (resid  28 and name  CG) 1.00  -60.000  30.000   2

assign (resid  42 and name   N)
       (resid  42 and name  CA)
       (resid  42 and name  CB)
       (resid  42 and name  CG) 1.00  -60.000  30.000   2




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1  14.240 -14.367  33.771
    2    H2   MET   1           HT2      MET   1  13.676 -14.105  35.353
    3    H3   MET   1           HT3      MET   1  15.144 -13.416  34.846
    4    HA   MET   1           HA       MET   1  12.858 -12.712  33.223
    5    HB2  MET   1           HB2      MET   1  13.113 -11.848  36.116
    6    HB3  MET   1           HB1      MET   1  12.102 -11.022  34.930
    7    HG2  MET   1           HG2      MET   1  10.870 -13.138  34.530
    8    HG3  MET   1           HG1      MET   1  11.851 -13.929  35.762
    9    HE1  MET   1           HE1      MET   1  11.939 -13.532  38.047
   10    HE2  MET   1           HE2      MET   1  10.806 -12.643  39.059
   11    HE3  MET   1           HE3      MET   1  12.085 -11.777  38.214
   12    H    ALA   2           HN       ALA   2  15.677 -11.961  35.199
   13    HA   ALA   2           HA       ALA   2  16.145  -9.343  34.238
   14    HB1  ALA   2           HB1      ALA   2  18.645 -10.487  34.810
   15    HB2  ALA   2           HB2      ALA   2  17.507 -11.279  35.899
   16    HB3  ALA   2           HB3      ALA   2  17.645  -9.522  35.896
   17    H    GLU   3           HN       GLU   3  17.113 -12.529  33.070
   18    HA   GLU   3           HA       GLU   3  18.297 -11.248  30.677
   19    HB2  GLU   3           HB2      GLU   3  18.901 -13.906  31.990
   20    HB3  GLU   3           HB1      GLU   3  19.530 -13.422  30.414
   21    HG2  GLU   3           HG2      GLU   3  20.626 -11.478  31.411
   22    HG3  GLU   3           HG1      GLU   3  19.939 -11.870  32.987
   23    H    ALA   4           HN       ALA   4  17.269 -11.542  28.809
   24    HA   ALA   4           HA       ALA   4  15.735 -13.982  28.334
   25    HB1  ALA   4           HB1      ALA   4  13.660 -12.992  28.034
   26    HB2  ALA   4           HB2      ALA   4  14.347 -11.390  27.762
   27    HB3  ALA   4           HB3      ALA   4  14.284 -12.058  29.393
   28    H    HIS   5           HN       HIS   5  15.312 -14.369  26.125
   29    HA   HIS   5           HA       HIS   5  16.912 -12.696  24.278
   30    HB2  HIS   5           HB2      HIS   5  16.278 -15.654  24.168
   31    HB3  HIS   5           HB1      HIS   5  17.129 -14.761  22.908
   32    HD2  HIS   5           HD2      HIS   5  17.935 -16.559  26.196
   33    HE1  HIS   5           HE1      HIS   5  21.295 -14.158  25.316
   34    HE2  HIS   5           HE2      HIS   5  20.420 -16.025  26.798
   35    H    GLN   6           HN       GLN   6  16.020 -12.048  22.358
   36    HA   GLN   6           HA       GLN   6  13.206 -11.784  22.208
   37    HB2  GLN   6           HB2      GLN   6  14.822 -10.216  21.152
   38    HB3  GLN   6           HB1      GLN   6  15.236 -11.469  19.984
   39    HG2  GLN   6           HG2      GLN   6  12.872 -11.544  19.240
   40    HG3  GLN   6           HG1      GLN   6  12.482 -10.265  20.389
   41   HE21  GLN   6          HE21      GLN   6  12.083  -8.485  19.026
   42   HE22  GLN   6          HE22      GLN   6  13.186  -7.910  17.871
   43    H    ALA   7           HN       ALA   7  15.499 -13.982  20.648
   44    HA   ALA   7           HA       ALA   7  13.307 -15.824  20.071
   45    HB1  ALA   7           HB1      ALA   7  15.057 -14.577  17.952
   46    HB2  ALA   7           HB2      ALA   7  13.295 -14.649  18.010
   47    HB3  ALA   7           HB3      ALA   7  14.228 -16.114  17.705
   48    H    VAL   8           HN       VAL   8  13.996 -17.974  19.736
   49    HA   VAL   8           HA       VAL   8  16.286 -18.749  21.195
   50    HB   VAL   8           HB       VAL   8  14.538 -20.272  19.254
   51   HG11  VAL   8          HG11      VAL   8  17.018 -21.021  20.704
   52   HG12  VAL   8          HG12      VAL   8  16.330 -21.697  19.227
   53   HG13  VAL   8          HG13      VAL   8  15.688 -22.175  20.799
   54   HG21  VAL   8          HG21      VAL   8  14.729 -20.456  22.270
   55   HG22  VAL   8          HG22      VAL   8  13.474 -21.123  21.226
   56   HG23  VAL   8          HG23      VAL   8  13.596 -19.378  21.454
   57    H    GLY   9           HN       GLY   9  15.653 -18.593  17.700
   58    HA2  GLY   9           HA2      GLY   9  18.386 -19.386  17.078
   59    HA3  GLY   9           HA1      GLY   9  17.109 -19.030  15.920
   60    H    PHE  10           HN       PHE  10  19.360 -17.987  15.176
   61    HA   PHE  10           HA       PHE  10  19.185 -15.127  15.908
   62    HB2  PHE  10           HB2      PHE  10  21.686 -16.761  15.421
   63    HB3  PHE  10           HB1      PHE  10  21.654 -15.002  15.548
   64    HD1  PHE  10           HD1      PHE  10  20.971 -13.906  17.679
   65    HD2  PHE  10           HD2      PHE  10  21.461 -18.162  17.363
   66    HE1  PHE  10           HE1      PHE  10  21.040 -14.081  20.152
   67    HE2  PHE  10           HE2      PHE  10  21.530 -18.337  19.837
   68    HZ   PHE  10           HZ       PHE  10  21.319 -16.297  21.232
   69    H    ARG  11           HN       ARG  11  19.567 -13.653  14.228
   70    HA   ARG  11           HA       ARG  11  18.575 -14.258  11.736
   71    HB2  ARG  11           HB2      ARG  11  19.961 -12.027  12.965
   72    HB3  ARG  11           HB1      ARG  11  20.417 -12.198  11.272
   73    HG2  ARG  11           HG2      ARG  11  18.420 -10.758  11.522
   74    HG3  ARG  11           HG1      ARG  11  18.039 -12.226  10.625
   75    HD2  ARG  11           HD2      ARG  11  16.652 -13.000  12.245
   76    HD3  ARG  11           HD1      ARG  11  17.734 -12.497  13.540
   77    HE   ARG  11           HE       ARG  11  16.543 -10.207  12.381
   78   HH11  ARG  11          HH21      ARG  11  15.801 -12.992  14.295
   79   HH12  ARG  11          HH22      ARG  11  14.492 -12.234  15.140
   80   HH21  ARG  11          HH11      ARG  11  14.828  -9.207  13.483
   81   HH22  ARG  11          HH12      ARG  11  13.941 -10.092  14.679
   82    HA   PRO  12           HA       PRO  12  21.699 -16.318   9.376
   83    HB2  PRO  12           HB2      PRO  12  21.882 -14.185   7.337
   84    HB3  PRO  12           HB1      PRO  12  21.375 -15.874   7.158
   85    HG2  PRO  12           HG2      PRO  12  19.652 -13.819   7.033
   86    HG3  PRO  12           HG1      PRO  12  19.202 -15.415   7.657
   87    HD2  PRO  12           HD2      PRO  12  19.742 -12.887   9.155
   88    HD3  PRO  12           HD1      PRO  12  18.614 -14.210   9.520
   89    H    SER  13           HN       SER  13  23.921 -16.455   9.226
   90    HA   SER  13           HA       SER  13  25.519 -14.603  10.635
   91    HB2  SER  13           HB2      SER  13  27.426 -15.913   9.764
   92    HB3  SER  13           HB1      SER  13  26.152 -16.954  10.394
   93    HG   SER  13           HG       SER  13  25.724 -16.364   7.795
   94    H    LEU  14           HN       LEU  14  24.732 -14.974   7.245
   95    HA   LEU  14           HA       LEU  14  26.706 -13.297   6.146
   96    HB2  LEU  14           HB2      LEU  14  25.341 -14.806   4.775
   97    HB3  LEU  14           HB1      LEU  14  23.897 -13.877   5.169
   98    HG   LEU  14           HG       LEU  14  24.830 -11.901   4.044
   99   HD11  LEU  14          HD11      LEU  14  27.245 -13.670   3.890
  100   HD12  LEU  14          HD12      LEU  14  27.143 -11.951   4.269
  101   HD13  LEU  14          HD13      LEU  14  26.967 -12.499   2.601
  102   HD21  LEU  14          HD21      LEU  14  23.922 -12.728   2.160
  103   HD22  LEU  14          HD22      LEU  14  24.108 -14.361   2.797
  104   HD23  LEU  14          HD23      LEU  14  25.398 -13.637   1.838
  105    H    THR  15           HN       THR  15  23.453 -12.608   7.397
  106    HA   THR  15           HA       THR  15  23.407  -9.873   6.644
  107    HB   THR  15           HB       THR  15  21.602  -9.679   8.352
  108    HG1  THR  15           HG1      THR  15  21.734 -12.415   8.793
  109   HG21  THR  15          HG21      THR  15  20.138 -11.485   7.314
  110   HG22  THR  15          HG22      THR  15  21.573 -12.022   6.441
  111   HG23  THR  15          HG23      THR  15  20.933 -10.401   6.173
  112    H    SER  16           HN       SER  16  24.669 -11.579   9.443
  113    HA   SER  16           HA       SER  16  25.165  -9.232  11.012
  114    HB2  SER  16           HB2      SER  16  26.098 -12.091  11.162
  115    HB3  SER  16           HB1      SER  16  26.741 -10.859  12.244
  116    HG   SER  16           HG       SER  16  24.997 -11.584  13.301
  117    H    ASP  17           HN       ASP  17  27.111  -8.130  11.327
  118    HA   ASP  17           HA       ASP  17  28.986  -8.332   9.077
  119    HB2  ASP  17           HB2      ASP  17  28.507  -6.217  11.180
  120    HB3  ASP  17           HB1      ASP  17  29.856  -6.154  10.046
  121    H    GLY  18           HN       GLY  18  30.607  -9.726   9.396
  122    HA2  GLY  18           HA2      GLY  18  31.567 -10.567  11.925
  123    HA3  GLY  18           HA1      GLY  18  32.373 -10.829  10.381
  124    H    ALA  19           HN       ALA  19  32.675  -8.115   9.627
  125    HA   ALA  19           HA       ALA  19  35.091  -7.473  10.984
  126    HB1  ALA  19           HB1      ALA  19  35.080  -6.740   8.779
  127    HB2  ALA  19           HB2      ALA  19  34.725  -5.246   9.646
  128    HB3  ALA  19           HB3      ALA  19  33.421  -6.150   8.876
  129    H    GLU  20           HN       GLU  20  35.563  -5.841  12.436
  130    HA   GLU  20           HA       GLU  20  33.550  -5.154  14.311
  131    HB2  GLU  20           HB2      GLU  20  36.343  -4.074  13.875
  132    HB3  GLU  20           HB1      GLU  20  35.321  -3.630  15.243
  133    HG2  GLU  20           HG2      GLU  20  35.188  -5.968  15.946
  134    HG3  GLU  20           HG1      GLU  20  36.127  -6.467  14.540
  135    H    VAL  21           HN       VAL  21  35.070  -3.401  11.640
  136    HA   VAL  21           HA       VAL  21  32.905  -1.403  11.815
  137    HB   VAL  21           HB       VAL  21  34.542   0.365  11.222
  138   HG11  VAL  21          HG11      VAL  21  33.924   0.023  13.574
  139   HG12  VAL  21          HG12      VAL  21  35.622   0.478  13.453
  140   HG13  VAL  21          HG13      VAL  21  35.180  -1.204  13.740
  141   HG21  VAL  21          HG21      VAL  21  36.546  -1.863  11.703
  142   HG22  VAL  21          HG22      VAL  21  36.960  -0.161  11.501
  143   HG23  VAL  21          HG23      VAL  21  36.239  -1.058  10.164
  144    H    GLU  22           HN       GLU  22  32.512  -0.275   9.786
  145    HA   GLU  22           HA       GLU  22  33.587  -1.613   7.396
  146    HB2  GLU  22           HB2      GLU  22  30.657  -1.272   8.057
  147    HB3  GLU  22           HB1      GLU  22  31.259  -1.671   6.448
  148    HG2  GLU  22           HG2      GLU  22  32.313  -3.702   7.312
  149    HG3  GLU  22           HG1      GLU  22  31.807  -3.293   8.950
  150    H    LEU  23           HN       LEU  23  33.889   1.063   8.722
  151    HA   LEU  23           HA       LEU  23  32.490   3.032   7.249
  152    HB2  LEU  23           HB2      LEU  23  35.160   3.094   8.665
  153    HB3  LEU  23           HB1      LEU  23  34.415   4.521   7.951
  154    HG   LEU  23           HG       LEU  23  33.059   2.753  10.010
  155   HD11  LEU  23          HD11      LEU  23  34.668   3.699  11.350
  156   HD12  LEU  23          HD12      LEU  23  33.512   5.030  11.347
  157   HD13  LEU  23          HD13      LEU  23  34.909   5.075  10.272
  158   HD21  LEU  23          HD21      LEU  23  32.310   5.224   8.504
  159   HD22  LEU  23          HD22      LEU  23  31.832   5.139  10.197
  160   HD23  LEU  23          HD23      LEU  23  31.295   3.898   9.067
  161    H    SER  24           HN       SER  24  35.602   1.435   6.739
  162    HA   SER  24           HA       SER  24  35.734   1.134   4.091
  163    HB2  SER  24           HB2      SER  24  36.012   4.047   4.713
  164    HB3  SER  24           HB1      SER  24  37.036   3.368   3.455
  165    HG   SER  24           HG       SER  24  35.352   3.162   2.215
  166    H    ALA  25           HN       ALA  25  36.999   0.850   6.886
  167    HA   ALA  25           HA       ALA  25  39.636   1.559   6.960
  168    HB1  ALA  25           HB1      ALA  25  37.981  -0.335   8.307
  169    HB2  ALA  25           HB2      ALA  25  39.484   0.406   8.856
  170    HB3  ALA  25           HB3      ALA  25  39.528  -1.099   7.937
  171    HA   PRO  26           HA       PRO  26  40.855  -2.571   4.607
  172    HB2  PRO  26           HB2      PRO  26  38.519  -2.669   2.758
  173    HB3  PRO  26           HB1      PRO  26  39.414  -4.000   3.518
  174    HG2  PRO  26           HG2      PRO  26  36.986  -3.293   4.354
  175    HG3  PRO  26           HG1      PRO  26  38.234  -3.852   5.481
  176    HD2  PRO  26           HD2      PRO  26  37.221  -1.079   5.019
  177    HD3  PRO  26           HD1      PRO  26  37.827  -1.831   6.509
  178    H    VAL  27           HN       VAL  27  38.806  -0.212   2.875
  179    HA   VAL  27           HA       VAL  27  40.474  -0.005   0.566
  180    HB   VAL  27           HB       VAL  27  38.373   1.848   1.723
  181   HG11  VAL  27          HG11      VAL  27  39.459   3.369   0.385
  182   HG12  VAL  27          HG12      VAL  27  38.553   2.546  -0.886
  183   HG13  VAL  27          HG13      VAL  27  40.236   2.114  -0.582
  184   HG21  VAL  27          HG21      VAL  27  37.033   0.947  -0.167
  185   HG22  VAL  27          HG22      VAL  27  37.551  -0.335   0.930
  186   HG23  VAL  27          HG23      VAL  27  38.384  -0.099  -0.606
  187    H    LEU  28           HN       LEU  28  40.135   1.853   3.551
  188    HA   LEU  28           HA       LEU  28  41.992   3.884   2.931
  189    HB2  LEU  28           HB2      LEU  28  41.074   2.769   5.576
  190    HB3  LEU  28           HB1      LEU  28  42.126   4.174   5.434
  191    HG   LEU  28           HG       LEU  28  39.418   3.948   4.084
  192   HD11  LEU  28          HD11      LEU  28  38.660   4.160   6.224
  193   HD12  LEU  28          HD12      LEU  28  39.100   5.852   5.991
  194   HD13  LEU  28          HD13      LEU  28  40.209   4.759   6.821
  195   HD21  LEU  28          HD21      LEU  28  40.451   5.643   2.904
  196   HD22  LEU  28          HD22      LEU  28  41.568   6.024   4.213
  197   HD23  LEU  28          HD23      LEU  28  39.901   6.590   4.285
  198    H    GLN  29           HN       GLN  29  42.402   0.748   4.537
  199    HA   GLN  29           HA       GLN  29  45.122   1.075   5.257
  200    HB2  GLN  29           HB2      GLN  29  43.646  -0.696   6.171
  201    HB3  GLN  29           HB1      GLN  29  43.638  -1.481   4.590
  202    HG2  GLN  29           HG2      GLN  29  46.096  -1.730   4.701
  203    HG3  GLN  29           HG1      GLN  29  46.100  -0.960   6.284
  204   HE21  GLN  29          HE21      GLN  29  46.145  -2.442   7.953
  205   HE22  GLN  29          HE22      GLN  29  45.480  -4.002   7.902
  206    H    GLU  30           HN       GLU  30  43.585  -0.246   2.313
  207    HA   GLU  30           HA       GLU  30  46.011  -1.057   1.020
  208    HB2  GLU  30           HB2      GLU  30  43.756  -1.872   0.355
  209    HB3  GLU  30           HB1      GLU  30  43.384  -0.262  -0.243
  210    HG2  GLU  30           HG2      GLU  30  45.241  -0.380  -1.827
  211    HG3  GLU  30           HG1      GLU  30  45.690  -1.972  -1.211
  212    H    ILE  31           HN       ILE  31  44.114   1.982   0.953
  213    HA   ILE  31           HA       ILE  31  45.719   3.212  -1.045
  214    HB   ILE  31           HB       ILE  31  43.945   4.417   1.098
  215   HG12  ILE  31          HG12      ILE  31  43.508   4.153  -1.906
  216   HG13  ILE  31          HG11      ILE  31  42.930   2.939  -0.755
  217   HG21  ILE  31          HG21      ILE  31  45.400   6.166   0.569
  218   HG22  ILE  31          HG22      ILE  31  44.091   6.403  -0.588
  219   HG23  ILE  31          HG23      ILE  31  45.591   5.628  -1.099
  220   HD11  ILE  31          HD11      ILE  31  42.234   5.893  -0.605
  221   HD12  ILE  31          HD12      ILE  31  41.574   4.598   0.389
  222   HD13  ILE  31          HD13      ILE  31  41.186   4.670  -1.329
  223    H    TYR  32           HN       TYR  32  45.858   3.241   2.518
  224    HA   TYR  32           HA       TYR  32  48.012   5.105   2.740
  225    HB2  TYR  32           HB2      TYR  32  46.637   4.495   4.677
  226    HB3  TYR  32           HB1      TYR  32  47.200   2.826   4.576
  227    HD1  TYR  32           HD1      TYR  32  48.375   6.340   5.038
  228    HD2  TYR  32           HD2      TYR  32  49.256   2.167   5.580
  229    HE1  TYR  32           HE1      TYR  32  50.361   6.926   6.418
  230    HE2  TYR  32           HE2      TYR  32  51.230   2.756   6.956
  231    HH   TYR  32           HH       TYR  32  52.814   5.001   7.014
  232    H    LEU  33           HN       LEU  33  48.012   1.510   2.523
  233    HA   LEU  33           HA       LEU  33  50.826   1.225   2.783
  234    HB2  LEU  33           HB2      LEU  33  49.244  -0.635   3.044
  235    HB3  LEU  33           HB1      LEU  33  48.822  -0.529   1.335
  236    HG   LEU  33           HG       LEU  33  51.138  -1.086   0.703
  237   HD11  LEU  33          HD11      LEU  33  51.543  -0.826   3.658
  238   HD12  LEU  33          HD12      LEU  33  52.575  -0.282   2.336
  239   HD13  LEU  33          HD13      LEU  33  52.532  -1.990   2.774
  240   HD21  LEU  33          HD21      LEU  33  50.544  -3.260   0.842
  241   HD22  LEU  33          HD22      LEU  33  49.289  -2.812   1.997
  242   HD23  LEU  33          HD23      LEU  33  50.892  -3.272   2.570
  243    H    SER  34           HN       SER  34  48.749   1.649  -0.064
  244    HA   SER  34           HA       SER  34  50.811   1.310  -1.997
  245    HB2  SER  34           HB2      SER  34  49.205   2.353  -3.559
  246    HB3  SER  34           HB1      SER  34  48.470   1.068  -2.605
  247    HG   SER  34           HG       SER  34  48.080   3.135  -1.152
  248    H    GLY  35           HN       GLY  35  49.503   4.112  -0.266
  249    HA2  GLY  35           HA2      GLY  35  50.841   6.110  -1.763
  250    HA3  GLY  35           HA1      GLY  35  50.205   6.290  -0.129
  251    H    LEU  36           HN       LEU  36  51.759   4.236   1.123
  252    HA   LEU  36           HA       LEU  36  54.085   5.671   1.779
  253    HB2  LEU  36           HB2      LEU  36  53.074   4.027   3.298
  254    HB3  LEU  36           HB1      LEU  36  53.470   2.729   2.177
  255    HG   LEU  36           HG       LEU  36  55.869   3.177   2.466
  256   HD11  LEU  36          HD11      LEU  36  56.149   5.448   2.886
  257   HD12  LEU  36          HD12      LEU  36  56.332   4.793   4.513
  258   HD13  LEU  36          HD13      LEU  36  54.798   5.510   4.017
  259   HD21  LEU  36          HD21      LEU  36  55.327   3.125   5.288
  260   HD22  LEU  36          HD22      LEU  36  55.779   1.787   4.232
  261   HD23  LEU  36          HD23      LEU  36  54.079   2.206   4.447
  262    H    ARG  37           HN       ARG  37  53.577   2.908  -0.415
  263    HA   ARG  37           HA       ARG  37  56.297   2.473  -1.048
  264    HB2  ARG  37           HB2      ARG  37  54.455   0.910  -1.635
  265    HB3  ARG  37           HB1      ARG  37  53.880   2.072  -2.829
  266    HG2  ARG  37           HG2      ARG  37  56.023   1.934  -4.026
  267    HG3  ARG  37           HG1      ARG  37  56.633   0.802  -2.819
  268    HD2  ARG  37           HD2      ARG  37  55.847  -0.457  -4.745
  269    HD3  ARG  37           HD1      ARG  37  54.764  -0.750  -3.387
  270    HE   ARG  37           HE       ARG  37  53.794   1.426  -4.927
  271   HH11  ARG  37          HH21      ARG  37  54.235  -2.008  -4.989
  272   HH12  ARG  37          HH22      ARG  37  52.892  -2.299  -6.044
  273   HH21  ARG  37          HH11      ARG  37  52.035   1.050  -6.312
  274   HH22  ARG  37          HH12      ARG  37  51.647  -0.568  -6.793
  275    H    SER  38           HN       SER  38  53.836   4.600  -2.458
  276    HA   SER  38           HA       SER  38  55.502   5.636  -4.544
  277    HB2  SER  38           HB2      SER  38  52.926   5.619  -4.411
  278    HB3  SER  38           HB1      SER  38  53.104   7.036  -3.381
  279    HG   SER  38           HG       SER  38  54.154   6.704  -6.002
  280    H    TRP  39           HN       TRP  39  54.763   6.549  -1.241
  281    HA   TRP  39           HA       TRP  39  55.662   9.171  -1.192
  282    HB2  TRP  39           HB2      TRP  39  54.506   7.652   0.625
  283    HB3  TRP  39           HB1      TRP  39  56.157   7.366   1.145
  284    HD1  TRP  39           HD1      TRP  39  56.634  10.681   0.081
  285    HE1  TRP  39           HE1      TRP  39  56.134  12.426   1.896
  286    HE3  TRP  39           HE3      TRP  39  53.901   7.830   3.319
  287    HZ2  TRP  39           HZ2      TRP  39  54.760  12.603   4.395
  288    HZ3  TRP  39           HZ3      TRP  39  53.009   8.816   5.409
  289    HH2  TRP  39           HH2      TRP  39  53.434  11.196   5.952
  290    H    LYS  40           HN       LYS  40  57.504   6.152  -0.852
  291    HA   LYS  40           HA       LYS  40  59.924   7.185   0.063
  292    HB2  LYS  40           HB2      LYS  40  59.397   4.769  -0.171
  293    HB3  LYS  40           HB1      LYS  40  59.559   4.932  -1.921
  294    HG2  LYS  40           HG2      LYS  40  61.891   5.658  -1.659
  295    HG3  LYS  40           HG1      LYS  40  61.738   5.559   0.095
  296    HD2  LYS  40           HD2      LYS  40  61.254   3.142  -0.086
  297    HD3  LYS  40           HD1      LYS  40  61.434   3.241  -1.837
  298    HE2  LYS  40           HE2      LYS  40  63.763   3.986  -1.567
  299    HE3  LYS  40           HE1      LYS  40  63.592   3.910   0.186
  300    HZ1  LYS  40           HZ1      LYS  40  64.233   1.805   0.013
  301    HZ2  LYS  40           HZ2      LYS  40  64.084   1.810  -1.680
  302    HZ3  LYS  40           HZ3      LYS  40  62.733   1.473  -0.707
  303    H    ARG  41           HN       ARG  41  58.696   7.026  -3.325
  304    HA   ARG  41           HA       ARG  41  61.103   7.853  -4.529
  305    HB2  ARG  41           HB2      ARG  41  58.219   8.169  -5.366
  306    HB3  ARG  41           HB1      ARG  41  59.575   8.644  -6.391
  307    HG2  ARG  41           HG2      ARG  41  60.464   6.353  -6.306
  308    HG3  ARG  41           HG1      ARG  41  59.139   5.868  -5.248
  309    HD2  ARG  41           HD2      ARG  41  57.514   6.444  -7.009
  310    HD3  ARG  41           HD1      ARG  41  58.831   6.933  -8.070
  311    HE   ARG  41           HE       ARG  41  58.105   4.194  -7.342
  312   HH11  ARG  41          HH21      ARG  41  60.360   6.389  -8.804
  313   HH12  ARG  41          HH22      ARG  41  61.113   5.175  -9.779
  314   HH21  ARG  41          HH11      ARG  41  59.097   2.607  -8.620
  315   HH22  ARG  41          HH12      ARG  41  60.401   3.036  -9.674
  316    H    HIS  42           HN       HIS  42  58.412   9.639  -3.253
  317    HA   HIS  42           HA       HIS  42  59.339  12.265  -3.994
  318    HB2  HIS  42           HB2      HIS  42  57.209  11.311  -2.081
  319    HB3  HIS  42           HB1      HIS  42  57.551  13.017  -2.364
  320    HD2  HIS  42           HD2      HIS  42  56.626  14.013  -4.839
  321    HE1  HIS  42           HE1      HIS  42  54.959  10.390  -6.224
  322    HE2  HIS  42           HE2      HIS  42  55.169  12.878  -6.685
  323    H    LEU  43           HN       LEU  43  59.682  10.191  -1.231
  324    HA   LEU  43           HA       LEU  43  60.887  12.204   0.472
  325    HB2  LEU  43           HB2      LEU  43  60.246   9.302   0.819
  326    HB3  LEU  43           HB1      LEU  43  61.294  10.127   1.963
  327    HG   LEU  43           HG       LEU  43  58.578  11.191   1.174
  328   HD11  LEU  43          HD11      LEU  43  58.217   9.002   2.168
  329   HD12  LEU  43          HD12      LEU  43  57.795  10.235   3.355
  330   HD13  LEU  43          HD13      LEU  43  59.331   9.379   3.482
  331   HD21  LEU  43          HD21      LEU  43  59.357  11.857   3.828
  332   HD22  LEU  43          HD22      LEU  43  59.196  12.941   2.447
  333   HD23  LEU  43          HD23      LEU  43  60.746  12.177   2.790
  334    H    SER  44           HN       SER  44  62.035  10.384  -2.079
  335    HA   SER  44           HA       SER  44  64.403   9.270  -1.229
  336    HB2  SER  44           HB2      SER  44  63.934  10.756  -3.819
  337    HB3  SER  44           HB1      SER  44  65.233   9.607  -3.515
  338    HG   SER  44           HG       SER  44  62.434   9.130  -3.492
  339    H    ARG  45           HN       ARG  45  63.908  12.733  -2.128
  340    HA   ARG  45           HA       ARG  45  66.620  13.441  -1.908
  341    HB2  ARG  45           HB2      ARG  45  64.095  15.044  -1.489
  342    HB3  ARG  45           HB1      ARG  45  65.707  15.763  -1.438
  343    HG2  ARG  45           HG2      ARG  45  66.154  14.971  -3.718
  344    HG3  ARG  45           HG1      ARG  45  64.572  14.191  -3.774
  345    HD2  ARG  45           HD2      ARG  45  63.477  16.378  -3.493
  346    HD3  ARG  45           HD1      ARG  45  65.051  17.164  -3.411
  347    HE   ARG  45           HE       ARG  45  64.989  15.730  -5.804
  348   HH11  ARG  45          HH21      ARG  45  63.287  18.311  -4.252
  349   HH12  ARG  45          HH22      ARG  45  62.870  19.111  -5.731
  350   HH21  ARG  45          HH11      ARG  45  64.448  16.771  -7.747
  351   HH22  ARG  45          HH12      ARG  45  63.527  18.238  -7.712
  352    H    PHE  46           HN       PHE  46  64.033  13.639   0.539
  353    HA   PHE  46           HA       PHE  46  65.701  14.578   2.634
  354    HB2  PHE  46           HB2      PHE  46  63.035  13.154   2.662
  355    HB3  PHE  46           HB1      PHE  46  63.814  13.795   4.109
  356    HD1  PHE  46           HD1      PHE  46  64.192  16.228   4.368
  357    HD2  PHE  46           HD2      PHE  46  62.048  14.621   1.010
  358    HE1  PHE  46           HE1      PHE  46  63.307  18.487   3.851
  359    HE2  PHE  46           HE2      PHE  46  61.163  16.880   0.494
  360    HZ   PHE  46           HZ       PHE  46  61.793  18.812   1.914
  361    H    TRP  47           HN       TRP  47  64.681  11.356   1.632
  362    HA   TRP  47           HA       TRP  47  65.707   9.913   3.822
  363    HB2  TRP  47           HB2      TRP  47  64.154   8.844   2.348
  364    HB3  TRP  47           HB1      TRP  47  65.205   9.109   0.957
  365    HD1  TRP  47           HD1      TRP  47  64.866   6.975   4.103
  366    HE1  TRP  47           HE1      TRP  47  66.457   4.955   3.913
  367    HE3  TRP  47           HE3      TRP  47  67.397   8.243  -0.146
  368    HZ2  TRP  47           HZ2      TRP  47  68.529   4.003   2.184
  369    HZ3  TRP  47           HZ3      TRP  47  69.172   6.764  -1.042
  370    HH2  TRP  47           HH2      TRP  47  69.741   4.648   0.117
  371    H    ASN  48           HN       ASN  48  67.183  10.841   0.733
  372    HA   ASN  48           HA       ASN  48  69.592   9.397   1.055
  373    HB2  ASN  48           HB2      ASN  48  68.894  10.327  -1.104
  374    HB3  ASN  48           HB1      ASN  48  69.070  11.961  -0.469
  375   HD21  ASN  48          HD21      ASN  48  70.835  12.613  -1.822
  376   HD22  ASN  48          HD22      ASN  48  72.366  11.884  -1.743
  377    H    ASP  49           HN       ASP  49  68.629  12.673   1.995
  378    HA   ASP  49           HA       ASP  49  71.245  13.122   3.243
  379    HB2  ASP  49           HB2      ASP  49  70.111  14.894   1.846
  380    HB3  ASP  49           HB1      ASP  49  68.892  15.014   3.113
  381    H    PHE  50           HN       PHE  50  71.473  12.293   5.222
  382    HA   PHE  50           HA       PHE  50  69.403  11.535   6.953
  383    HB2  PHE  50           HB2      PHE  50  72.291  12.232   7.523
  384    HB3  PHE  50           HB1      PHE  50  71.199  11.522   8.712
  385    HD1  PHE  50           HD2      PHE  50  70.263   9.248   8.361
  386    HD2  PHE  50           HD1      PHE  50  73.179  10.933   5.695
  387    HE1  PHE  50           HE2      PHE  50  70.709   6.995   7.426
  388    HE2  PHE  50           HE1      PHE  50  73.625   8.680   4.759
  389    HZ   PHE  50           HZ       PHE  50  72.390   6.710   5.625
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  18.032 -27.072  25.124
    2    H2   MET   1           HT2      MET   1  19.488 -27.627  24.439
    3    H3   MET   1           HT3      MET   1  19.089 -28.039  26.034
    4    HA   MET   1           HA       MET   1  18.680 -29.647  23.955
    5    HB2  MET   1           HB2      MET   1  17.075 -29.348  26.508
    6    HB3  MET   1           HB1      MET   1  17.013 -30.773  25.473
    7    HG2  MET   1           HG2      MET   1  19.440 -31.097  25.773
    8    HG3  MET   1           HG1      MET   1  19.513 -29.664  26.790
    9    HE1  MET   1           HE1      MET   1  20.824 -31.454  27.855
   10    HE2  MET   1           HE2      MET   1  20.214 -32.686  28.955
   11    HE3  MET   1           HE3      MET   1  20.200 -30.989  29.444
   12    H    ALA   2           HN       ALA   2  17.258 -29.924  22.331
   13    HA   ALA   2           HA       ALA   2  15.425 -27.910  21.598
   14    HB1  ALA   2           HB1      ALA   2  14.893 -29.248  19.752
   15    HB2  ALA   2           HB2      ALA   2  15.241 -30.744  20.617
   16    HB3  ALA   2           HB3      ALA   2  16.561 -29.681  20.123
   17    H    GLU   3           HN       GLU   3  15.097 -30.704  23.623
   18    HA   GLU   3           HA       GLU   3  12.300 -31.050  23.471
   19    HB2  GLU   3           HB2      GLU   3  14.288 -31.702  25.650
   20    HB3  GLU   3           HB1      GLU   3  12.594 -32.190  25.695
   21    HG2  GLU   3           HG2      GLU   3  12.871 -33.421  23.593
   22    HG3  GLU   3           HG1      GLU   3  14.550 -32.888  23.487
   23    H    ALA   4           HN       ALA   4  14.330 -28.912  25.393
   24    HA   ALA   4           HA       ALA   4  11.887 -27.685  26.535
   25    HB1  ALA   4           HB1      ALA   4  14.190 -28.714  27.838
   26    HB2  ALA   4           HB2      ALA   4  12.809 -27.900  28.558
   27    HB3  ALA   4           HB3      ALA   4  14.201 -26.961  28.023
   28    H    HIS   5           HN       HIS   5  11.593 -25.554  26.270
   29    HA   HIS   5           HA       HIS   5  13.094 -24.137  24.318
   30    HB2  HIS   5           HB2      HIS   5  10.991 -23.260  26.304
   31    HB3  HIS   5           HB1      HIS   5  11.716 -22.171  25.118
   32    HD2  HIS   5           HD2      HIS   5  10.764 -22.493  22.498
   33    HE1  HIS   5           HE1      HIS   5   8.233 -25.784  23.274
   34    HE2  HIS   5           HE2      HIS   5   8.927 -24.083  21.529
   35    H    GLN   6           HN       GLN   6  13.016 -24.030  27.862
   36    HA   GLN   6           HA       GLN   6  14.684 -21.789  28.206
   37    HB2  GLN   6           HB2      GLN   6  14.192 -24.174  30.012
   38    HB3  GLN   6           HB1      GLN   6  15.034 -22.705  30.503
   39    HG2  GLN   6           HG2      GLN   6  12.192 -22.791  29.445
   40    HG3  GLN   6           HG1      GLN   6  12.623 -22.675  31.147
   41   HE21  GLN   6          HE21      GLN   6  11.551 -20.765  28.734
   42   HE22  GLN   6          HE22      GLN   6  12.324 -19.311  29.129
   43    H    ALA   7           HN       ALA   7  15.402 -25.248  27.884
   44    HA   ALA   7           HA       ALA   7  18.151 -25.100  28.485
   45    HB1  ALA   7           HB1      ALA   7  18.315 -27.280  27.479
   46    HB2  ALA   7           HB2      ALA   7  16.813 -27.031  26.581
   47    HB3  ALA   7           HB3      ALA   7  16.777 -27.195  28.337
   48    H    VAL   8           HN       VAL   8  16.352 -24.697  25.480
   49    HA   VAL   8           HA       VAL   8  18.576 -24.555  23.722
   50    HB   VAL   8           HB       VAL   8  15.799 -23.342  23.539
   51   HG11  VAL   8          HG11      VAL   8  18.159 -23.295  21.690
   52   HG12  VAL   8          HG12      VAL   8  16.934 -22.055  21.976
   53   HG13  VAL   8          HG13      VAL   8  16.546 -23.464  20.986
   54   HG21  VAL   8          HG21      VAL   8  16.258 -25.389  21.631
   55   HG22  VAL   8          HG22      VAL   8  15.197 -25.464  23.045
   56   HG23  VAL   8          HG23      VAL   8  16.871 -25.999  23.169
   57    H    GLY   9           HN       GLY   9  16.753 -22.038  25.450
   58    HA2  GLY   9           HA2      GLY   9  17.526 -19.992  26.247
   59    HA3  GLY   9           HA1      GLY   9  19.102 -20.351  25.554
   60    H    PHE  10           HN       PHE  10  18.827 -17.978  25.031
   61    HA   PHE  10           HA       PHE  10  17.578 -17.717  22.362
   62    HB2  PHE  10           HB2      PHE  10  17.553 -15.708  24.624
   63    HB3  PHE  10           HB1      PHE  10  17.090 -15.336  22.968
   64    HD1  PHE  10           HD2      PHE  10  15.113 -16.453  21.931
   65    HD2  PHE  10           HD1      PHE  10  16.124 -16.998  26.066
   66    HE1  PHE  10           HE2      PHE  10  12.850 -17.353  22.360
   67    HE2  PHE  10           HE1      PHE  10  13.862 -17.905  26.503
   68    HZ   PHE  10           HZ       PHE  10  12.214 -18.081  24.655
   69    H    ARG  11           HN       ARG  11  18.643 -16.361  20.895
   70    HA   ARG  11           HA       ARG  11  21.387 -15.558  21.662
   71    HB2  ARG  11           HB2      ARG  11  21.168 -17.637  20.161
   72    HB3  ARG  11           HB1      ARG  11  20.632 -16.518  18.906
   73    HG2  ARG  11           HG2      ARG  11  22.711 -15.219  19.176
   74    HG3  ARG  11           HG1      ARG  11  23.252 -16.345  20.421
   75    HD2  ARG  11           HD2      ARG  11  24.216 -16.846  18.164
   76    HD3  ARG  11           HD1      ARG  11  23.280 -18.173  18.829
   77    HE   ARG  11           HE       ARG  11  21.495 -16.709  17.298
   78   HH11  ARG  11          HH21      ARG  11  24.494 -18.372  16.871
   79   HH12  ARG  11          HH22      ARG  11  24.194 -18.777  15.211
   80   HH21  ARG  11          HH11      ARG  11  21.093 -17.231  15.117
   81   HH22  ARG  11          HH12      ARG  11  22.270 -18.130  14.224
   82    HA   PRO  12           HA       PRO  12  19.028 -11.875  20.103
   83    HB2  PRO  12           HB2      PRO  12  20.962 -10.476  21.849
   84    HB3  PRO  12           HB1      PRO  12  19.197 -10.351  21.800
   85    HG2  PRO  12           HG2      PRO  12  20.501 -11.573  23.792
   86    HG3  PRO  12           HG1      PRO  12  18.903 -12.098  23.237
   87    HD2  PRO  12           HD2      PRO  12  21.582 -13.338  22.718
   88    HD3  PRO  12           HD1      PRO  12  20.000 -14.116  22.940
   89    H    SER  13           HN       SER  13  19.655 -10.443  18.497
   90    HA   SER  13           HA       SER  13  22.132 -10.961  17.163
   91    HB2  SER  13           HB2      SER  13  19.884  -9.003  16.712
   92    HB3  SER  13           HB1      SER  13  21.355  -8.949  15.746
   93    HG   SER  13           HG       SER  13  20.935 -11.278  15.415
   94    H    LEU  14           HN       LEU  14  23.905  -9.607  16.886
   95    HA   LEU  14           HA       LEU  14  24.176  -7.473  18.910
   96    HB2  LEU  14           HB2      LEU  14  25.721  -9.430  19.139
   97    HB3  LEU  14           HB1      LEU  14  26.377  -9.043  17.545
   98    HG   LEU  14           HG       LEU  14  27.023  -6.797  18.371
   99   HD11  LEU  14          HD11      LEU  14  27.052  -6.864  21.069
  100   HD12  LEU  14          HD12      LEU  14  25.559  -7.755  20.772
  101   HD13  LEU  14          HD13      LEU  14  25.746  -6.118  20.146
  102   HD21  LEU  14          HD21      LEU  14  28.153  -9.309  19.092
  103   HD22  LEU  14          HD22      LEU  14  28.372  -8.204  20.453
  104   HD23  LEU  14          HD23      LEU  14  28.978  -7.764  18.856
  105    H    THR  15           HN       THR  15  24.368  -5.465  18.237
  106    HA   THR  15           HA       THR  15  25.027  -4.968  15.400
  107    HB   THR  15           HB       THR  15  23.764  -2.890  15.606
  108    HG1  THR  15           HG1      THR  15  23.537  -2.129  17.539
  109   HG21  THR  15          HG21      THR  15  21.982  -4.118  15.029
  110   HG22  THR  15          HG22      THR  15  21.647  -4.415  16.739
  111   HG23  THR  15          HG23      THR  15  22.680  -5.525  15.833
  112    H    SER  16           HN       SER  16  26.431  -4.930  18.351
  113    HA   SER  16           HA       SER  16  27.627  -2.393  18.558
  114    HB2  SER  16           HB2      SER  16  29.302  -3.529  19.983
  115    HB3  SER  16           HB1      SER  16  27.657  -4.013  20.385
  116    HG   SER  16           HG       SER  16  28.128  -5.975  19.801
  117    H    ASP  17           HN       ASP  17  28.436  -5.236  16.639
  118    HA   ASP  17           HA       ASP  17  30.955  -4.054  15.739
  119    HB2  ASP  17           HB2      ASP  17  31.174  -6.174  14.449
  120    HB3  ASP  17           HB1      ASP  17  30.964  -6.440  16.179
  121    H    GLY  18           HN       GLY  18  27.837  -3.550  14.978
  122    HA2  GLY  18           HA2      GLY  18  27.838  -3.730  12.128
  123    HA3  GLY  18           HA1      GLY  18  26.697  -2.809  13.105
  124    H    ALA  19           HN       ALA  19  27.727  -1.850  10.676
  125    HA   ALA  19           HA       ALA  19  29.099   0.558  11.636
  126    HB1  ALA  19           HB1      ALA  19  30.113  -1.129   9.332
  127    HB2  ALA  19           HB2      ALA  19  30.918  -0.892  10.885
  128    HB3  ALA  19           HB3      ALA  19  30.728   0.465   9.773
  129    H    GLU  20           HN       GLU  20  28.785   2.396  10.363
  130    HA   GLU  20           HA       GLU  20  26.336   2.486   8.922
  131    HB2  GLU  20           HB2      GLU  20  28.592   4.489   9.157
  132    HB3  GLU  20           HB1      GLU  20  27.065   4.812   8.336
  133    HG2  GLU  20           HG2      GLU  20  25.811   4.375  10.379
  134    HG3  GLU  20           HG1      GLU  20  27.285   3.902  11.220
  135    H    VAL  21           HN       VAL  21  29.715   2.294   7.945
  136    HA   VAL  21           HA       VAL  21  28.844   1.972   5.139
  137    HB   VAL  21           HB       VAL  21  31.326   3.246   6.283
  138   HG11  VAL  21          HG11      VAL  21  31.916   3.486   3.803
  139   HG12  VAL  21          HG12      VAL  21  30.746   2.197   3.517
  140   HG13  VAL  21          HG13      VAL  21  32.160   1.898   4.527
  141   HG21  VAL  21          HG21      VAL  21  29.398   4.710   6.052
  142   HG22  VAL  21          HG22      VAL  21  29.142   4.172   4.389
  143   HG23  VAL  21          HG23      VAL  21  30.578   5.110   4.805
  144    H    GLU  22           HN       GLU  22  29.399   0.120   4.155
  145    HA   GLU  22           HA       GLU  22  30.421  -2.055   5.646
  146    HB2  GLU  22           HB2      GLU  22  28.895  -2.299   3.730
  147    HB3  GLU  22           HB1      GLU  22  30.176  -1.772   2.644
  148    HG2  GLU  22           HG2      GLU  22  31.561  -3.691   3.330
  149    HG3  GLU  22           HG1      GLU  22  30.299  -4.204   4.451
  150    H    LEU  23           HN       LEU  23  31.960   0.062   3.227
  151    HA   LEU  23           HA       LEU  23  34.551  -1.207   3.912
  152    HB2  LEU  23           HB2      LEU  23  33.764   0.254   1.384
  153    HB3  LEU  23           HB1      LEU  23  35.336  -0.465   1.703
  154    HG   LEU  23           HG       LEU  23  32.714  -1.988   1.609
  155   HD11  LEU  23          HD11      LEU  23  34.801  -1.321  -0.410
  156   HD12  LEU  23          HD12      LEU  23  33.078  -1.643  -0.626
  157   HD13  LEU  23          HD13      LEU  23  34.205  -2.983  -0.410
  158   HD21  LEU  23          HD21      LEU  23  35.551  -2.714   2.276
  159   HD22  LEU  23          HD22      LEU  23  34.565  -3.890   1.407
  160   HD23  LEU  23          HD23      LEU  23  34.051  -3.304   2.989
  161    H    SER  24           HN       SER  24  35.842  -0.005   5.123
  162    HA   SER  24           HA       SER  24  36.097   2.851   4.593
  163    HB2  SER  24           HB2      SER  24  35.213   1.678   7.219
  164    HB3  SER  24           HB1      SER  24  36.047   3.227   7.141
  165    HG   SER  24           HG       SER  24  33.487   2.708   6.679
  166    H    ALA  25           HN       ALA  25  37.137   1.104   7.468
  167    HA   ALA  25           HA       ALA  25  39.747   1.943   7.440
  168    HB1  ALA  25           HB1      ALA  25  39.773  -0.696   8.490
  169    HB2  ALA  25           HB2      ALA  25  38.214   0.019   8.887
  170    HB3  ALA  25           HB3      ALA  25  39.703   0.833   9.373
  171    HA   PRO  26           HA       PRO  26  41.051  -2.206   5.134
  172    HB2  PRO  26           HB2      PRO  26  38.667  -2.390   3.347
  173    HB3  PRO  26           HB1      PRO  26  39.623  -3.683   4.097
  174    HG2  PRO  26           HG2      PRO  26  37.204  -3.049   5.010
  175    HG3  PRO  26           HG1      PRO  26  38.509  -3.535   6.100
  176    HD2  PRO  26           HD2      PRO  26  37.386  -0.802   5.610
  177    HD3  PRO  26           HD1      PRO  26  38.046  -1.504   7.100
  178    H    VAL  27           HN       VAL  27  38.922   0.132   3.470
  179    HA   VAL  27           HA       VAL  27  40.506   0.327   1.099
  180    HB   VAL  27           HB       VAL  27  38.466   2.192   2.327
  181   HG11  VAL  27          HG11      VAL  27  38.593   2.809  -0.340
  182   HG12  VAL  27          HG12      VAL  27  40.288   2.481   0.018
  183   HG13  VAL  27          HG13      VAL  27  39.419   3.711   0.932
  184   HG21  VAL  27          HG21      VAL  27  37.890  -0.181   1.407
  185   HG22  VAL  27          HG22      VAL  27  38.184   0.544  -0.174
  186   HG23  VAL  27          HG23      VAL  27  36.916   1.189   0.872
  187    H    LEU  28           HN       LEU  28  40.292   2.171   4.091
  188    HA   LEU  28           HA       LEU  28  42.130   4.207   3.427
  189    HB2  LEU  28           HB2      LEU  28  41.297   3.055   6.095
  190    HB3  LEU  28           HB1      LEU  28  42.350   4.451   5.934
  191    HG   LEU  28           HG       LEU  28  39.593   4.273   4.676
  192   HD11  LEU  28          HD11      LEU  28  39.051   4.323   6.939
  193   HD12  LEU  28          HD12      LEU  28  39.188   6.053   6.591
  194   HD13  LEU  28          HD13      LEU  28  40.518   5.199   7.379
  195   HD21  LEU  28          HD21      LEU  28  40.408   6.059   3.546
  196   HD22  LEU  28          HD22      LEU  28  41.812   6.208   4.599
  197   HD23  LEU  28          HD23      LEU  28  40.276   6.932   5.070
  198    H    GLN  29           HN       GLN  29  42.592   1.032   4.969
  199    HA   GLN  29           HA       GLN  29  45.333   1.384   5.552
  200    HB2  GLN  29           HB2      GLN  29  43.670  -1.085   5.087
  201    HB3  GLN  29           HB1      GLN  29  45.360  -1.152   5.590
  202    HG2  GLN  29           HG2      GLN  29  44.838   0.164   7.600
  203    HG3  GLN  29           HG1      GLN  29  43.156   0.293   7.087
  204   HE21  GLN  29          HE21      GLN  29  45.142  -1.465   9.116
  205   HE22  GLN  29          HE22      GLN  29  44.234  -2.893   9.206
  206    H    GLU  30           HN       GLU  30  43.664   0.092   2.695
  207    HA   GLU  30           HA       GLU  30  46.026  -0.728   1.342
  208    HB2  GLU  30           HB2      GLU  30  43.755  -1.531   0.767
  209    HB3  GLU  30           HB1      GLU  30  43.347   0.084   0.195
  210    HG2  GLU  30           HG2      GLU  30  43.958  -1.231  -1.729
  211    HG3  GLU  30           HG1      GLU  30  45.283  -0.113  -1.439
  212    H    ILE  31           HN       ILE  31  44.144   2.298   1.331
  213    HA   ILE  31           HA       ILE  31  45.663   3.586  -0.690
  214    HB   ILE  31           HB       ILE  31  44.016   4.685   1.604
  215   HG12  ILE  31          HG12      ILE  31  43.449   4.600  -1.379
  216   HG13  ILE  31          HG11      ILE  31  42.930   3.325  -0.276
  217   HG21  ILE  31          HG21      ILE  31  45.187   6.595   1.149
  218   HG22  ILE  31          HG22      ILE  31  44.119   6.673  -0.250
  219   HG23  ILE  31          HG23      ILE  31  45.740   6.003  -0.416
  220   HD11  ILE  31          HD11      ILE  31  41.672   4.970   1.053
  221   HD12  ILE  31          HD12      ILE  31  41.134   4.993  -0.628
  222   HD13  ILE  31          HD13      ILE  31  42.201   6.262  -0.021
  223    H    TYR  32           HN       TYR  32  45.943   3.500   2.874
  224    HA   TYR  32           HA       TYR  32  48.090   5.310   3.079
  225    HB2  TYR  32           HB2      TYR  32  46.814   4.640   5.032
  226    HB3  TYR  32           HB1      TYR  32  47.331   2.962   4.832
  227    HD1  TYR  32           HD1      TYR  32  48.573   6.414   5.463
  228    HD2  TYR  32           HD2      TYR  32  49.398   2.210   5.736
  229    HE1  TYR  32           HE1      TYR  32  50.618   6.903   6.786
  230    HE2  TYR  32           HE2      TYR  32  51.445   2.694   7.061
  231    HH   TYR  32           HH       TYR  32  52.493   4.330   8.280
  232    H    LEU  33           HN       LEU  33  48.042   1.779   2.782
  233    HA   LEU  33           HA       LEU  33  50.839   1.403   2.911
  234    HB2  LEU  33           HB2      LEU  33  49.238  -0.437   3.171
  235    HB3  LEU  33           HB1      LEU  33  48.748  -0.262   1.492
  236    HG   LEU  33           HG       LEU  33  51.029  -0.823   0.745
  237   HD11  LEU  33          HD11      LEU  33  51.570  -0.695   3.690
  238   HD12  LEU  33          HD12      LEU  33  52.582  -0.166   2.344
  239   HD13  LEU  33          HD13      LEU  33  52.459  -1.881   2.735
  240   HD21  LEU  33          HD21      LEU  33  49.166  -2.541   1.871
  241   HD22  LEU  33          HD22      LEU  33  50.684  -3.036   2.610
  242   HD23  LEU  33          HD23      LEU  33  50.522  -3.020   0.854
  243    H    SER  34           HN       SER  34  48.649   1.953   0.189
  244    HA   SER  34           HA       SER  34  50.616   1.669  -1.856
  245    HB2  SER  34           HB2      SER  34  48.970   2.815  -3.300
  246    HB3  SER  34           HB1      SER  34  48.229   1.512  -2.372
  247    HG   SER  34           HG       SER  34  46.931   3.308  -2.160
  248    H    GLY  35           HN       GLY  35  49.441   4.418   0.044
  249    HA2  GLY  35           HA2      GLY  35  50.761   6.452  -1.425
  250    HA3  GLY  35           HA1      GLY  35  50.222   6.577   0.244
  251    H    LEU  36           HN       LEU  36  51.773   4.463   1.358
  252    HA   LEU  36           HA       LEU  36  54.166   5.832   1.910
  253    HB2  LEU  36           HB2      LEU  36  53.204   4.179   3.454
  254    HB3  LEU  36           HB1      LEU  36  53.533   2.898   2.289
  255    HG   LEU  36           HG       LEU  36  55.960   3.365   2.456
  256   HD11  LEU  36          HD11      LEU  36  56.280   5.605   2.977
  257   HD12  LEU  36          HD12      LEU  36  56.497   4.877   4.572
  258   HD13  LEU  36          HD13      LEU  36  54.960   5.622   4.147
  259   HD21  LEU  36          HD21      LEU  36  54.825   1.761   4.024
  260   HD22  LEU  36          HD22      LEU  36  54.721   3.066   5.206
  261   HD23  LEU  36          HD23      LEU  36  56.297   2.469   4.686
  262    H    ARG  37           HN       ARG  37  53.507   3.120  -0.314
  263    HA   ARG  37           HA       ARG  37  56.219   2.669  -1.037
  264    HB2  ARG  37           HB2      ARG  37  53.637   2.159  -2.511
  265    HB3  ARG  37           HB1      ARG  37  55.210   1.650  -3.137
  266    HG2  ARG  37           HG2      ARG  37  55.603   0.338  -1.090
  267    HG3  ARG  37           HG1      ARG  37  54.049   0.874  -0.439
  268    HD2  ARG  37           HD2      ARG  37  54.344  -0.618  -3.055
  269    HD3  ARG  37           HD1      ARG  37  53.993  -1.407  -1.519
  270    HE   ARG  37           HE       ARG  37  52.126   0.679  -1.891
  271   HH11  ARG  37          HH21      ARG  37  53.069  -2.368  -3.230
  272   HH12  ARG  37          HH22      ARG  37  51.483  -2.774  -3.794
  273   HH21  ARG  37          HH11      ARG  37  50.047   0.170  -2.656
  274   HH22  ARG  37          HH12      ARG  37  49.776  -1.331  -3.475
  275    H    SER  38           HN       SER  38  53.718   4.824  -2.322
  276    HA   SER  38           HA       SER  38  55.326   5.836  -4.490
  277    HB2  SER  38           HB2      SER  38  53.569   7.600  -4.647
  278    HB3  SER  38           HB1      SER  38  52.894   5.975  -4.638
  279    HG   SER  38           HG       SER  38  53.280   7.117  -2.153
  280    H    TRP  39           HN       TRP  39  54.783   6.594  -1.156
  281    HA   TRP  39           HA       TRP  39  55.769   9.267  -1.116
  282    HB2  TRP  39           HB2      TRP  39  54.515   8.233   0.751
  283    HB3  TRP  39           HB1      TRP  39  55.911   7.205   1.078
  284    HD1  TRP  39           HD1      TRP  39  57.676   8.165   2.664
  285    HE1  TRP  39           HE1      TRP  39  58.159  10.489   3.662
  286    HE3  TRP  39           HE3      TRP  39  54.283  10.999   0.067
  287    HZ2  TRP  39           HZ2      TRP  39  57.239  13.177   3.421
  288    HZ3  TRP  39           HZ3      TRP  39  54.128  13.438   0.487
  289    HH2  TRP  39           HH2      TRP  39  55.586  14.535   2.157
  290    H    LYS  40           HN       LYS  40  57.441   6.142  -0.900
  291    HA   LYS  40           HA       LYS  40  59.945   7.078  -0.070
  292    HB2  LYS  40           HB2      LYS  40  59.190   4.753  -1.850
  293    HB3  LYS  40           HB1      LYS  40  60.815   5.042  -1.218
  294    HG2  LYS  40           HG2      LYS  40  59.953   4.960   1.089
  295    HG3  LYS  40           HG1      LYS  40  58.319   4.708   0.468
  296    HD2  LYS  40           HD2      LYS  40  59.004   2.618  -0.597
  297    HD3  LYS  40           HD1      LYS  40  60.661   2.852  -0.032
  298    HE2  LYS  40           HE2      LYS  40  59.880   2.773   2.296
  299    HE3  LYS  40           HE1      LYS  40  58.221   2.543   1.741
  300    HZ1  LYS  40           HZ1      LYS  40  58.630   0.411   1.168
  301    HZ2  LYS  40           HZ2      LYS  40  59.884   0.552   2.305
  302    HZ3  LYS  40           HZ3      LYS  40  60.211   0.738   0.649
  303    H    ARG  41           HN       ARG  41  58.486   6.974  -3.378
  304    HA   ARG  41           HA       ARG  41  60.921   7.674  -4.671
  305    HB2  ARG  41           HB2      ARG  41  58.911   6.796  -5.853
  306    HB3  ARG  41           HB1      ARG  41  58.080   8.316  -5.514
  307    HG2  ARG  41           HG2      ARG  41  59.864   9.545  -6.745
  308    HG3  ARG  41           HG1      ARG  41  60.633   8.002  -7.126
  309    HD2  ARG  41           HD2      ARG  41  57.802   8.736  -7.911
  310    HD3  ARG  41           HD1      ARG  41  59.187   8.888  -8.986
  311    HE   ARG  41           HE       ARG  41  57.851   6.426  -8.195
  312   HH11  ARG  41          HH21      ARG  41  60.687   7.951  -9.510
  313   HH12  ARG  41          HH22      ARG  41  61.250   6.515 -10.306
  314   HH21  ARG  41          HH11      ARG  41  58.574   4.559  -9.235
  315   HH22  ARG  41          HH12      ARG  41  60.046   4.580 -10.139
  316    H    HIS  42           HN       HIS  42  58.234   9.485  -3.434
  317    HA   HIS  42           HA       HIS  42  59.197  12.124  -4.030
  318    HB2  HIS  42           HB2      HIS  42  57.089  11.116  -2.119
  319    HB3  HIS  42           HB1      HIS  42  57.443  12.829  -2.332
  320    HD2  HIS  42           HD2      HIS  42  56.397  13.973  -4.680
  321    HE1  HIS  42           HE1      HIS  42  54.874  10.422  -6.376
  322    HE2  HIS  42           HE2      HIS  42  55.009  12.949  -6.625
  323    H    LEU  43           HN       LEU  43  59.541   9.969  -1.324
  324    HA   LEU  43           HA       LEU  43  60.744  11.914   0.451
  325    HB2  LEU  43           HB2      LEU  43  59.319   9.848   1.094
  326    HB3  LEU  43           HB1      LEU  43  60.813   8.950   0.884
  327    HG   LEU  43           HG       LEU  43  61.927  10.527   2.495
  328   HD11  LEU  43          HD11      LEU  43  59.320  11.842   2.289
  329   HD12  LEU  43          HD12      LEU  43  60.840  12.457   2.929
  330   HD13  LEU  43          HD13      LEU  43  59.772  11.503   3.959
  331   HD21  LEU  43          HD21      LEU  43  59.959   8.474   3.032
  332   HD22  LEU  43          HD22      LEU  43  60.011   9.639   4.355
  333   HD23  LEU  43          HD23      LEU  43  61.484   8.801   3.856
  334    H    SER  44           HN       SER  44  61.855  10.140  -2.157
  335    HA   SER  44           HA       SER  44  64.254   9.055  -1.427
  336    HB2  SER  44           HB2      SER  44  65.000   9.448  -3.750
  337    HB3  SER  44           HB1      SER  44  63.346   8.855  -3.687
  338    HG   SER  44           HG       SER  44  62.884  11.283  -3.616
  339    H    ARG  45           HN       ARG  45  63.735  12.537  -2.229
  340    HA   ARG  45           HA       ARG  45  66.455  13.226  -2.139
  341    HB2  ARG  45           HB2      ARG  45  63.969  14.834  -1.536
  342    HB3  ARG  45           HB1      ARG  45  65.585  15.543  -1.564
  343    HG2  ARG  45           HG2      ARG  45  65.895  14.763  -3.884
  344    HG3  ARG  45           HG1      ARG  45  64.290  14.029  -3.851
  345    HD2  ARG  45           HD2      ARG  45  64.826  16.976  -3.407
  346    HD3  ARG  45           HD1      ARG  45  64.322  16.280  -4.940
  347    HE   ARG  45           HE       ARG  45  62.655  16.660  -2.585
  348   HH11  ARG  45          HH21      ARG  45  63.139  15.043  -5.605
  349   HH12  ARG  45          HH22      ARG  45  61.458  14.712  -5.850
  350   HH21  ARG  45          HH11      ARG  45  60.448  16.224  -2.902
  351   HH22  ARG  45          HH12      ARG  45  59.938  15.370  -4.322
  352    H    PHE  46           HN       PHE  46  64.023  13.376   0.456
  353    HA   PHE  46           HA       PHE  46  65.828  14.250   2.459
  354    HB2  PHE  46           HB2      PHE  46  63.157  12.841   2.636
  355    HB3  PHE  46           HB1      PHE  46  64.043  13.448   4.034
  356    HD1  PHE  46           HD1      PHE  46  64.459  15.891   4.309
  357    HD2  PHE  46           HD2      PHE  46  62.044  14.348   1.107
  358    HE1  PHE  46           HE1      PHE  46  63.570  18.165   3.895
  359    HE2  PHE  46           HE2      PHE  46  61.140  16.629   0.698
  360    HZ   PHE  46           HZ       PHE  46  61.902  18.528   2.091
  361    H    TRP  47           HN       TRP  47  64.702  11.080   1.434
  362    HA   TRP  47           HA       TRP  47  65.844   9.543   3.498
  363    HB2  TRP  47           HB2      TRP  47  64.144   8.698   1.931
  364    HB3  TRP  47           HB1      TRP  47  65.332   8.739   0.627
  365    HD1  TRP  47           HD1      TRP  47  66.771   6.645   0.341
  366    HE1  TRP  47           HE1      TRP  47  67.246   4.540   1.751
  367    HE3  TRP  47           HE3      TRP  47  64.314   7.889   4.632
  368    HZ2  TRP  47           HZ2      TRP  47  66.665   3.524   4.357
  369    HZ3  TRP  47           HZ3      TRP  47  64.293   6.340   6.566
  370    HH2  TRP  47           HH2      TRP  47  65.461   4.167   6.431
  371    H    ASN  48           HN       ASN  48  67.127  10.558   0.359
  372    HA   ASN  48           HA       ASN  48  69.538   9.078   0.451
  373    HB2  ASN  48           HB2      ASN  48  68.781  11.652  -0.947
  374    HB3  ASN  48           HB1      ASN  48  70.334  10.854  -1.175
  375   HD21  ASN  48          HD21      ASN  48  68.845   8.130  -0.828
  376   HD22  ASN  48          HD22      ASN  48  68.137   7.888  -2.349
  377    H    ASP  49           HN       ASP  49  68.695  12.332   1.582
  378    HA   ASP  49           HA       ASP  49  71.405  12.750   2.594
  379    HB2  ASP  49           HB2      ASP  49  70.169  14.604   1.509
  380    HB3  ASP  49           HB1      ASP  49  68.941  14.492   2.766
  381    H    PHE  50           HN       PHE  50  71.911  11.810   4.477
  382    HA   PHE  50           HA       PHE  50  69.820  11.393   6.500
  383    HB2  PHE  50           HB2      PHE  50  71.207   9.451   5.964
  384    HB3  PHE  50           HB1      PHE  50  72.666  10.369   6.348
  385    HD1  PHE  50           HD2      PHE  50  69.419   9.243   7.845
  386    HD2  PHE  50           HD1      PHE  50  73.484  10.434   8.553
  387    HE1  PHE  50           HE2      PHE  50  69.170   8.662  10.234
  388    HE2  PHE  50           HE1      PHE  50  73.237   9.841  10.950
  389    HZ   PHE  50           HZ       PHE  50  71.082   8.952  11.792
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  49.288 -20.139   1.484
    2    H2   MET   1           HT2      MET   1  48.442 -18.746   1.003
    3    H3   MET   1           HT3      MET   1  49.400 -19.591  -0.117
    4    HA   MET   1           HA       MET   1  47.293 -20.295  -0.677
    5    HB2  MET   1           HB2      MET   1  48.414 -22.205   1.393
    6    HB3  MET   1           HB1      MET   1  47.103 -22.616   0.286
    7    HG2  MET   1           HG2      MET   1  48.569 -22.131  -1.639
    8    HG3  MET   1           HG1      MET   1  49.882 -21.722  -0.535
    9    HE1  MET   1           HE1      MET   1  50.729 -24.831  -2.455
   10    HE2  MET   1           HE2      MET   1  51.767 -24.134  -1.214
   11    HE3  MET   1           HE3      MET   1  50.824 -23.076  -2.260
   12    H    ALA   2           HN       ALA   2  47.702 -19.409   2.608
   13    HA   ALA   2           HA       ALA   2  44.815 -19.104   2.915
   14    HB1  ALA   2           HB1      ALA   2  45.614 -21.405   3.837
   15    HB2  ALA   2           HB2      ALA   2  44.578 -20.399   4.849
   16    HB3  ALA   2           HB3      ALA   2  46.316 -20.451   5.144
   17    H    GLU   3           HN       GLU   3  44.235 -17.583   4.518
   18    HA   GLU   3           HA       GLU   3  46.086 -15.464   4.873
   19    HB2  GLU   3           HB2      GLU   3  43.409 -16.029   6.165
   20    HB3  GLU   3           HB1      GLU   3  44.315 -14.533   6.396
   21    HG2  GLU   3           HG2      GLU   3  44.260 -14.087   3.995
   22    HG3  GLU   3           HG1      GLU   3  43.440 -15.620   3.706
   23    H    ALA   4           HN       ALA   4  44.923 -18.037   7.014
   24    HA   ALA   4           HA       ALA   4  46.248 -17.092   9.351
   25    HB1  ALA   4           HB1      ALA   4  44.327 -18.841   9.107
   26    HB2  ALA   4           HB2      ALA   4  45.538 -19.071  10.368
   27    HB3  ALA   4           HB3      ALA   4  45.641 -19.994   8.869
   28    H    HIS   5           HN       HIS   5  48.234 -17.594  10.201
   29    HA   HIS   5           HA       HIS   5  50.327 -18.245   8.397
   30    HB2  HIS   5           HB2      HIS   5  50.090 -17.702  11.310
   31    HB3  HIS   5           HB1      HIS   5  51.523 -18.580  10.776
   32    HD2  HIS   5           HD2      HIS   5  50.221 -14.968  10.849
   33    HE1  HIS   5           HE1      HIS   5  53.525 -14.986   8.221
   34    HE2  HIS   5           HE2      HIS   5  51.904 -13.502   9.493
   35    H    GLN   6           HN       GLN   6  48.625 -20.087  10.897
   36    HA   GLN   6           HA       GLN   6  49.619 -22.566   9.670
   37    HB2  GLN   6           HB2      GLN   6  49.798 -21.880  12.611
   38    HB3  GLN   6           HB1      GLN   6  49.986 -23.512  11.970
   39    HG2  GLN   6           HG2      GLN   6  51.881 -22.780  10.595
   40    HG3  GLN   6           HG1      GLN   6  51.675 -21.126  11.167
   41   HE21  GLN   6          HE21      GLN   6  54.107 -21.813  11.793
   42   HE22  GLN   6          HE22      GLN   6  54.283 -22.405  13.374
   43    H    ALA   7           HN       ALA   7  48.309 -24.427  10.155
   44    HA   ALA   7           HA       ALA   7  45.531 -23.894  10.139
   45    HB1  ALA   7           HB1      ALA   7  45.273 -26.338  10.314
   46    HB2  ALA   7           HB2      ALA   7  46.984 -26.490  10.713
   47    HB3  ALA   7           HB3      ALA   7  46.499 -25.910   9.120
   48    H    VAL   8           HN       VAL   8  47.769 -24.884  12.683
   49    HA   VAL   8           HA       VAL   8  45.654 -24.334  14.674
   50    HB   VAL   8           HB       VAL   8  45.864 -26.714  14.666
   51   HG11  VAL   8          HG11      VAL   8  48.861 -26.271  14.815
   52   HG12  VAL   8          HG12      VAL   8  47.981 -26.821  13.388
   53   HG13  VAL   8          HG13      VAL   8  48.049 -27.837  14.828
   54   HG21  VAL   8          HG21      VAL   8  46.508 -27.107  16.910
   55   HG22  VAL   8          HG22      VAL   8  46.057 -25.402  16.893
   56   HG23  VAL   8          HG23      VAL   8  47.758 -25.865  16.858
   57    H    GLY   9           HN       GLY   9  46.254 -23.039  16.332
   58    HA2  GLY   9           HA2      GLY   9  48.873 -21.797  16.194
   59    HA3  GLY   9           HA1      GLY   9  47.548 -21.334  17.257
   60    H    PHE  10           HN       PHE  10  50.028 -21.374  18.316
   61    HA   PHE  10           HA       PHE  10  50.895 -23.815  19.437
   62    HB2  PHE  10           HB2      PHE  10  51.256 -20.952  20.344
   63    HB3  PHE  10           HB1      PHE  10  52.064 -22.326  21.099
   64    HD1  PHE  10           HD1      PHE  10  53.696 -23.688  19.824
   65    HD2  PHE  10           HD2      PHE  10  51.907 -20.157  18.159
   66    HE1  PHE  10           HE1      PHE  10  55.432 -23.645  18.054
   67    HE2  PHE  10           HE2      PHE  10  53.642 -20.112  16.387
   68    HZ   PHE  10           HZ       PHE  10  55.404 -21.857  16.335
   69    H    ARG  11           HN       ARG  11  48.705 -21.307  20.645
   70    HA   ARG  11           HA       ARG  11  47.321 -23.207  22.298
   71    HB2  ARG  11           HB2      ARG  11  49.517 -21.841  23.454
   72    HB3  ARG  11           HB1      ARG  11  48.051 -21.124  24.125
   73    HG2  ARG  11           HG2      ARG  11  47.211 -23.423  24.634
   74    HG3  ARG  11           HG1      ARG  11  48.755 -24.073  24.080
   75    HD2  ARG  11           HD2      ARG  11  49.569 -22.125  25.834
   76    HD3  ARG  11           HD1      ARG  11  48.091 -22.700  26.600
   77    HE   ARG  11           HE       ARG  11  49.373 -25.010  26.002
   78   HH11  ARG  11          HH21      ARG  11  50.349 -22.053  27.513
   79   HH12  ARG  11          HH22      ARG  11  51.531 -22.803  28.532
   80   HH21  ARG  11          HH11      ARG  11  50.921 -26.000  27.336
   81   HH22  ARG  11          HH12      ARG  11  51.856 -25.038  28.432
   82    HA   PRO  12           HA       PRO  12  45.327 -18.776  22.606
   83    HB2  PRO  12           HB2      PRO  12  46.630 -17.381  20.345
   84    HB3  PRO  12           HB1      PRO  12  46.289 -16.798  21.984
   85    HG2  PRO  12           HG2      PRO  12  48.771 -17.373  21.180
   86    HG3  PRO  12           HG1      PRO  12  48.229 -17.665  22.843
   87    HD2  PRO  12           HD2      PRO  12  48.596 -19.625  20.607
   88    HD3  PRO  12           HD1      PRO  12  48.958 -19.814  22.337
   89    H    SER  13           HN       SER  13  43.404 -18.337  21.534
   90    HA   SER  13           HA       SER  13  42.617 -20.110  19.471
   91    HB2  SER  13           HB2      SER  13  41.292 -17.590  20.495
   92    HB3  SER  13           HB1      SER  13  40.531 -18.766  19.427
   93    HG   SER  13           HG       SER  13  39.970 -19.498  21.370
   94    H    LEU  14           HN       LEU  14  42.156 -19.745  17.305
   95    HA   LEU  14           HA       LEU  14  43.917 -18.056  15.892
   96    HB2  LEU  14           HB2      LEU  14  41.413 -19.516  15.042
   97    HB3  LEU  14           HB1      LEU  14  42.455 -18.655  13.913
   98    HG   LEU  14           HG       LEU  14  43.422 -20.839  15.783
   99   HD11  LEU  14          HD11      LEU  14  43.569 -22.127  13.548
  100   HD12  LEU  14          HD12      LEU  14  42.429 -20.927  12.939
  101   HD13  LEU  14          HD13      LEU  14  41.979 -21.962  14.294
  102   HD21  LEU  14          HD21      LEU  14  45.371 -19.758  15.200
  103   HD22  LEU  14          HD22      LEU  14  44.693 -19.094  13.716
  104   HD23  LEU  14          HD23      LEU  14  45.208 -20.777  13.773
  105    H    THR  15           HN       THR  15  40.483 -17.731  16.715
  106    HA   THR  15           HA       THR  15  40.672 -14.864  16.023
  107    HB   THR  15           HB       THR  15  38.428 -14.928  15.086
  108    HG1  THR  15           HG1      THR  15  38.464 -17.730  15.260
  109   HG21  THR  15          HG21      THR  15  39.962 -17.219  13.856
  110   HG22  THR  15          HG22      THR  15  40.498 -15.545  13.705
  111   HG23  THR  15          HG23      THR  15  38.938 -16.035  13.046
  112    H    SER  16           HN       SER  16  39.128 -13.512  17.145
  113    HA   SER  16           HA       SER  16  37.698 -14.633  19.410
  114    HB2  SER  16           HB2      SER  16  38.886 -13.118  21.028
  115    HB3  SER  16           HB1      SER  16  39.871 -14.447  20.421
  116    HG   SER  16           HG       SER  16  39.834 -11.966  19.091
  117    H    ASP  17           HN       ASP  17  36.464 -12.945  20.575
  118    HA   ASP  17           HA       ASP  17  35.157 -11.203  18.753
  119    HB2  ASP  17           HB2      ASP  17  35.058 -11.560  21.742
  120    HB3  ASP  17           HB1      ASP  17  34.153 -10.274  20.948
  121    H    GLY  18           HN       GLY  18  35.314  -9.028  18.430
  122    HA2  GLY  18           HA2      GLY  18  36.851  -7.288  20.109
  123    HA3  GLY  18           HA1      GLY  18  37.721  -7.708  18.637
  124    H    ALA  19           HN       ALA  19  37.117  -5.093  19.037
  125    HA   ALA  19           HA       ALA  19  34.612  -4.271  17.964
  126    HB1  ALA  19           HB1      ALA  19  36.096  -2.826  19.360
  127    HB2  ALA  19           HB2      ALA  19  35.596  -2.059  17.852
  128    HB3  ALA  19           HB3      ALA  19  37.220  -2.734  18.003
  129    H    GLU  20           HN       GLU  20  34.022  -3.704  15.913
  130    HA   GLU  20           HA       GLU  20  36.004  -3.994  13.757
  131    HB2  GLU  20           HB2      GLU  20  33.335  -5.411  13.910
  132    HB3  GLU  20           HB1      GLU  20  34.288  -5.270  12.433
  133    HG2  GLU  20           HG2      GLU  20  36.162  -6.430  13.490
  134    HG3  GLU  20           HG1      GLU  20  35.283  -6.507  15.016
  135    H    VAL  21           HN       VAL  21  35.564  -2.769  11.911
  136    HA   VAL  21           HA       VAL  21  33.197  -1.008  12.028
  137    HB   VAL  21           HB       VAL  21  34.622   0.881  11.292
  138   HG11  VAL  21          HG11      VAL  21  34.085   0.541  13.691
  139   HG12  VAL  21          HG12      VAL  21  35.672   1.280  13.475
  140   HG13  VAL  21          HG13      VAL  21  35.543  -0.436  13.865
  141   HG21  VAL  21          HG21      VAL  21  36.694   0.447  10.522
  142   HG22  VAL  21          HG22      VAL  21  36.532  -1.246  10.987
  143   HG23  VAL  21          HG23      VAL  21  37.165  -0.071  12.140
  144    H    GLU  22           HN       GLU  22  32.652  -0.030   9.964
  145    HA   GLU  22           HA       GLU  22  33.756  -1.437   7.618
  146    HB2  GLU  22           HB2      GLU  22  30.827  -1.083   8.298
  147    HB3  GLU  22           HB1      GLU  22  31.424  -1.617   6.727
  148    HG2  GLU  22           HG2      GLU  22  32.001  -3.019   9.353
  149    HG3  GLU  22           HG1      GLU  22  30.759  -3.518   8.207
  150    H    LEU  23           HN       LEU  23  34.001   1.309   8.819
  151    HA   LEU  23           HA       LEU  23  32.562   3.178   7.264
  152    HB2  LEU  23           HB2      LEU  23  33.738   3.802   9.328
  153    HB3  LEU  23           HB1      LEU  23  35.285   3.425   8.574
  154    HG   LEU  23           HG       LEU  23  34.939   5.203   6.913
  155   HD11  LEU  23          HD11      LEU  23  32.926   6.792   7.576
  156   HD12  LEU  23          HD12      LEU  23  32.244   5.300   8.219
  157   HD13  LEU  23          HD13      LEU  23  32.662   5.414   6.509
  158   HD21  LEU  23          HD21      LEU  23  36.052   5.896   8.933
  159   HD22  LEU  23          HD22      LEU  23  34.522   6.009   9.803
  160   HD23  LEU  23          HD23      LEU  23  34.894   7.160   8.520
  161    H    SER  24           HN       SER  24  35.717   1.631   6.814
  162    HA   SER  24           HA       SER  24  35.820   1.265   4.155
  163    HB2  SER  24           HB2      SER  24  36.094   4.177   4.746
  164    HB3  SER  24           HB1      SER  24  37.141   3.494   3.507
  165    HG   SER  24           HG       SER  24  34.603   2.577   3.292
  166    H    ALA  25           HN       ALA  25  37.092   0.983   6.937
  167    HA   ALA  25           HA       ALA  25  39.747   1.658   6.975
  168    HB1  ALA  25           HB1      ALA  25  39.599   0.526   8.887
  169    HB2  ALA  25           HB2      ALA  25  39.583  -0.990   7.987
  170    HB3  ALA  25           HB3      ALA  25  38.067  -0.175   8.371
  171    HA   PRO  26           HA       PRO  26  40.807  -2.559   4.684
  172    HB2  PRO  26           HB2      PRO  26  38.476  -2.586   2.838
  173    HB3  PRO  26           HB1      PRO  26  39.313  -3.940   3.618
  174    HG2  PRO  26           HG2      PRO  26  36.919  -3.124   4.442
  175    HG3  PRO  26           HG1      PRO  26  38.147  -3.702   5.583
  176    HD2  PRO  26           HD2      PRO  26  37.248  -0.904   5.039
  177    HD3  PRO  26           HD1      PRO  26  37.805  -1.637   6.558
  178    H    VAL  27           HN       VAL  27  38.869  -0.191   2.797
  179    HA   VAL  27           HA       VAL  27  40.719  -0.199   0.604
  180    HB   VAL  27           HB       VAL  27  39.441   1.813  -0.166
  181   HG11  VAL  27          HG11      VAL  27  38.408  -0.891   0.384
  182   HG12  VAL  27          HG12      VAL  27  38.416   0.024  -1.124
  183   HG13  VAL  27          HG13      VAL  27  37.154   0.309   0.075
  184   HG21  VAL  27          HG21      VAL  27  37.441   2.463   1.069
  185   HG22  VAL  27          HG22      VAL  27  38.839   2.617   2.133
  186   HG23  VAL  27          HG23      VAL  27  37.760   1.232   2.290
  187    H    LEU  28           HN       LEU  28  40.235   1.795   3.465
  188    HA   LEU  28           HA       LEU  28  42.037   3.872   2.780
  189    HB2  LEU  28           HB2      LEU  28  41.106   2.838   5.464
  190    HB3  LEU  28           HB1      LEU  28  42.166   4.233   5.299
  191    HG   LEU  28           HG       LEU  28  39.480   3.989   3.911
  192   HD11  LEU  28          HD11      LEU  28  38.758   5.690   5.648
  193   HD12  LEU  28          HD12      LEU  28  40.232   5.296   6.532
  194   HD13  LEU  28          HD13      LEU  28  39.009   4.055   6.262
  195   HD21  LEU  28          HD21      LEU  28  40.140   6.669   4.247
  196   HD22  LEU  28          HD22      LEU  28  40.300   5.747   2.753
  197   HD23  LEU  28          HD23      LEU  28  41.681   5.922   3.832
  198    H    GLN  29           HN       GLN  29  42.496   0.793   4.466
  199    HA   GLN  29           HA       GLN  29  45.195   1.163   5.212
  200    HB2  GLN  29           HB2      GLN  29  43.758  -0.599   6.157
  201    HB3  GLN  29           HB1      GLN  29  43.735  -1.414   4.592
  202    HG2  GLN  29           HG2      GLN  29  46.137  -1.754   4.669
  203    HG3  GLN  29           HG1      GLN  29  46.262  -0.776   6.131
  204   HE21  GLN  29          HE21      GLN  29  47.175  -3.493   6.107
  205   HE22  GLN  29          HE22      GLN  29  46.154  -4.398   7.117
  206    H    GLU  30           HN       GLU  30  43.713  -0.214   2.283
  207    HA   GLU  30           HA       GLU  30  46.174  -1.036   1.095
  208    HB2  GLU  30           HB2      GLU  30  43.500  -0.358  -0.147
  209    HB3  GLU  30           HB1      GLU  30  44.855  -1.058  -1.036
  210    HG2  GLU  30           HG2      GLU  30  43.553  -2.304   1.411
  211    HG3  GLU  30           HG1      GLU  30  43.210  -2.773  -0.254
  212    H    ILE  31           HN       ILE  31  44.267   1.948   0.888
  213    HA   ILE  31           HA       ILE  31  45.889   3.181  -1.107
  214    HB   ILE  31           HB       ILE  31  44.090   4.384   1.019
  215   HG12  ILE  31          HG12      ILE  31  43.642   4.101  -1.974
  216   HG13  ILE  31          HG11      ILE  31  43.080   2.906  -0.808
  217   HG21  ILE  31          HG21      ILE  31  45.694   5.606  -1.224
  218   HG22  ILE  31          HG22      ILE  31  45.546   6.137   0.449
  219   HG23  ILE  31          HG23      ILE  31  44.202   6.370  -0.669
  220   HD11  ILE  31          HD11      ILE  31  41.369   4.214  -0.125
  221   HD12  ILE  31          HD12      ILE  31  41.676   5.127  -1.602
  222   HD13  ILE  31          HD13      ILE  31  42.386   5.657  -0.078
  223    H    TYR  32           HN       TYR  32  45.951   3.184   2.441
  224    HA   TYR  32           HA       TYR  32  48.036   5.079   2.726
  225    HB2  TYR  32           HB2      TYR  32  46.678   4.476   4.644
  226    HB3  TYR  32           HB1      TYR  32  47.228   2.800   4.552
  227    HD1  TYR  32           HD2      TYR  32  48.423   6.310   5.034
  228    HD2  TYR  32           HD1      TYR  32  49.232   2.133   5.598
  229    HE1  TYR  32           HE2      TYR  32  50.382   6.885   6.441
  230    HE2  TYR  32           HE1      TYR  32  51.196   2.702   7.003
  231    HH   TYR  32           HH       TYR  32  51.722   5.805   8.248
  232    H    LEU  33           HN       LEU  33  48.097   1.530   2.497
  233    HA   LEU  33           HA       LEU  33  50.893   1.243   2.765
  234    HB2  LEU  33           HB2      LEU  33  49.333  -0.619   3.037
  235    HB3  LEU  33           HB1      LEU  33  48.872  -0.509   1.338
  236    HG   LEU  33           HG       LEU  33  51.189  -1.048   0.668
  237   HD11  LEU  33          HD11      LEU  33  52.628  -1.969   2.664
  238   HD12  LEU  33          HD12      LEU  33  51.639  -0.877   3.630
  239   HD13  LEU  33          HD13      LEU  33  52.623  -0.244   2.310
  240   HD21  LEU  33          HD21      LEU  33  49.620  -2.919   1.003
  241   HD22  LEU  33          HD22      LEU  33  50.048  -2.988   2.711
  242   HD23  LEU  33          HD23      LEU  33  51.248  -3.397   1.485
  243    H    SER  34           HN       SER  34  48.805   1.678  -0.067
  244    HA   SER  34           HA       SER  34  50.843   1.401  -2.017
  245    HB2  SER  34           HB2      SER  34  48.182   2.831  -2.079
  246    HB3  SER  34           HB1      SER  34  49.212   2.622  -3.491
  247    HG   SER  34           HG       SER  34  48.812   0.496  -3.476
  248    H    GLY  35           HN       GLY  35  49.602   4.164  -0.183
  249    HA2  GLY  35           HA2      GLY  35  50.990   6.170  -1.615
  250    HA3  GLY  35           HA1      GLY  35  50.376   6.319   0.029
  251    H    LEU  36           HN       LEU  36  51.930   4.168   1.189
  252    HA   LEU  36           HA       LEU  36  54.280   5.570   1.843
  253    HB2  LEU  36           HB2      LEU  36  53.518   2.668   2.183
  254    HB3  LEU  36           HB1      LEU  36  54.999   3.357   2.842
  255    HG   LEU  36           HG       LEU  36  52.220   4.429   3.425
  256   HD11  LEU  36          HD11      LEU  36  53.795   2.226   4.615
  257   HD12  LEU  36          HD12      LEU  36  52.055   2.512   4.645
  258   HD13  LEU  36          HD13      LEU  36  53.109   3.367   5.772
  259   HD21  LEU  36          HD21      LEU  36  53.755   5.260   5.477
  260   HD22  LEU  36          HD22      LEU  36  53.589   6.199   3.996
  261   HD23  LEU  36          HD23      LEU  36  55.002   5.175   4.234
  262    H    ARG  37           HN       ARG  37  53.683   2.917  -0.436
  263    HA   ARG  37           HA       ARG  37  56.401   2.503  -1.128
  264    HB2  ARG  37           HB2      ARG  37  53.830   1.961  -2.615
  265    HB3  ARG  37           HB1      ARG  37  55.416   1.504  -3.239
  266    HG2  ARG  37           HG2      ARG  37  55.844   0.163  -1.221
  267    HG3  ARG  37           HG1      ARG  37  54.280   0.640  -0.562
  268    HD2  ARG  37           HD2      ARG  37  54.620  -0.817  -3.195
  269    HD3  ARG  37           HD1      ARG  37  54.281  -1.624  -1.666
  270    HE   ARG  37           HE       ARG  37  52.353   0.391  -2.021
  271   HH11  ARG  37          HH21      ARG  37  53.410  -2.577  -3.447
  272   HH12  ARG  37          HH22      ARG  37  51.845  -3.005  -4.056
  273   HH21  ARG  37          HH11      ARG  37  50.292  -0.166  -2.822
  274   HH22  ARG  37          HH12      ARG  37  50.086  -1.643  -3.702
  275    H    SER  38           HN       SER  38  53.884   4.609  -2.476
  276    HA   SER  38           HA       SER  38  55.489   5.635  -4.619
  277    HB2  SER  38           HB2      SER  38  53.665   7.298  -4.826
  278    HB3  SER  38           HB1      SER  38  53.059   5.643  -4.791
  279    HG   SER  38           HG       SER  38  52.865   6.045  -2.433
  280    H    TRP  39           HN       TRP  39  54.820   6.583  -1.311
  281    HA   TRP  39           HA       TRP  39  55.764   9.226  -1.363
  282    HB2  TRP  39           HB2      TRP  39  55.587   7.161   0.812
  283    HB3  TRP  39           HB1      TRP  39  56.188   8.781   1.123
  284    HD1  TRP  39           HD1      TRP  39  53.544   8.858  -1.494
  285    HE1  TRP  39           HE1      TRP  39  51.322   9.670  -0.494
  286    HE3  TRP  39           HE3      TRP  39  54.648   8.568   3.494
  287    HZ2  TRP  39           HZ2      TRP  39  50.154  10.133   2.067
  288    HZ3  TRP  39           HZ3      TRP  39  52.954   9.202   5.187
  289    HH2  TRP  39           HH2      TRP  39  50.709   9.983   4.480
  290    H    LYS  40           HN       LYS  40  57.554   6.171  -1.012
  291    HA   LYS  40           HA       LYS  40  59.948   7.275  -0.065
  292    HB2  LYS  40           HB2      LYS  40  59.478   4.919  -1.904
  293    HB3  LYS  40           HB1      LYS  40  61.040   5.308  -1.184
  294    HG2  LYS  40           HG2      LYS  40  60.062   5.120   1.068
  295    HG3  LYS  40           HG1      LYS  40  58.490   4.749   0.361
  296    HD2  LYS  40           HD2      LYS  40  59.436   2.735  -0.701
  297    HD3  LYS  40           HD1      LYS  40  61.012   3.103   0.003
  298    HE2  LYS  40           HE2      LYS  40  60.047   2.931   2.266
  299    HE3  LYS  40           HE1      LYS  40  58.469   2.567   1.567
  300    HZ1  LYS  40           HZ1      LYS  40  59.926   0.743   0.346
  301    HZ2  LYS  40           HZ2      LYS  40  59.206   0.469   1.859
  302    HZ3  LYS  40           HZ3      LYS  40  60.848   0.896   1.761
  303    H    ARG  41           HN       ARG  41  58.709   7.028  -3.438
  304    HA   ARG  41           HA       ARG  41  61.071   7.919  -4.678
  305    HB2  ARG  41           HB2      ARG  41  59.134   6.952  -5.886
  306    HB3  ARG  41           HB1      ARG  41  58.212   8.414  -5.544
  307    HG2  ARG  41           HG2      ARG  41  59.885   9.760  -6.773
  308    HG3  ARG  41           HG1      ARG  41  60.802   8.294  -7.120
  309    HD2  ARG  41           HD2      ARG  41  57.917   8.714  -7.937
  310    HD3  ARG  41           HD1      ARG  41  59.291   9.019  -8.996
  311    HE   ARG  41           HE       ARG  41  59.529   6.404  -7.989
  312   HH11  ARG  41          HH21      ARG  41  57.483   8.321 -10.019
  313   HH12  ARG  41          HH22      ARG  41  56.984   6.989 -11.008
  314   HH21  ARG  41          HH11      ARG  41  58.881   4.655  -9.282
  315   HH22  ARG  41          HH12      ARG  41  57.776   4.912 -10.590
  316    H    HIS  42           HN       HIS  42  58.322   9.618  -3.415
  317    HA   HIS  42           HA       HIS  42  59.192  12.287  -4.068
  318    HB2  HIS  42           HB2      HIS  42  57.064  11.281  -2.167
  319    HB3  HIS  42           HB1      HIS  42  57.332  12.982  -2.544
  320    HD2  HIS  42           HD2      HIS  42  55.417   9.995  -3.994
  321    HE1  HIS  42           HE1      HIS  42  55.610  12.872  -7.077
  322    HE2  HIS  42           HE2      HIS  42  54.533  10.691  -6.349
  323    H    LEU  43           HN       LEU  43  59.429  10.201  -1.287
  324    HA   LEU  43           HA       LEU  43  60.609  12.222   0.424
  325    HB2  LEU  43           HB2      LEU  43  59.704   9.419   0.836
  326    HB3  LEU  43           HB1      LEU  43  60.925  10.073   1.921
  327    HG   LEU  43           HG       LEU  43  59.475  11.972   2.465
  328   HD11  LEU  43          HD11      LEU  43  57.443  10.663   0.638
  329   HD12  LEU  43          HD12      LEU  43  58.284  12.170   0.303
  330   HD13  LEU  43          HD13      LEU  43  57.157  12.069   1.650
  331   HD21  LEU  43          HD21      LEU  43  59.247   9.938   3.807
  332   HD22  LEU  43          HD22      LEU  43  58.066   9.294   2.665
  333   HD23  LEU  43          HD23      LEU  43  57.676  10.719   3.630
  334    H    SER  44           HN       SER  44  61.796  10.320  -2.019
  335    HA   SER  44           HA       SER  44  64.106   9.163  -1.079
  336    HB2  SER  44           HB2      SER  44  63.757  10.616  -3.706
  337    HB3  SER  44           HB1      SER  44  65.015   9.438  -3.343
  338    HG   SER  44           HG       SER  44  62.240   9.084  -3.647
  339    H    ARG  45           HN       ARG  45  63.717  12.624  -2.031
  340    HA   ARG  45           HA       ARG  45  66.443  13.267  -1.752
  341    HB2  ARG  45           HB2      ARG  45  64.755  14.766  -2.787
  342    HB3  ARG  45           HB1      ARG  45  64.068  15.062  -1.190
  343    HG2  ARG  45           HG2      ARG  45  66.217  15.987  -0.423
  344    HG3  ARG  45           HG1      ARG  45  66.928  15.666  -2.005
  345    HD2  ARG  45           HD2      ARG  45  66.257  18.002  -1.907
  346    HD3  ARG  45           HD1      ARG  45  65.204  17.149  -3.035
  347    HE   ARG  45           HE       ARG  45  64.045  17.130  -0.444
  348   HH11  ARG  45          HH21      ARG  45  64.787  19.205  -3.111
  349   HH12  ARG  45          HH22      ARG  45  63.474  20.295  -2.808
  350   HH21  ARG  45          HH11      ARG  45  62.321  18.556  -0.039
  351   HH22  ARG  45          HH12      ARG  45  62.080  19.928  -1.068
  352    H    PHE  46           HN       PHE  46  63.794  13.514   0.617
  353    HA   PHE  46           HA       PHE  46  65.346  14.437   2.781
  354    HB2  PHE  46           HB2      PHE  46  62.893  14.555   2.752
  355    HB3  PHE  46           HB1      PHE  46  62.803  12.794   2.813
  356    HD1  PHE  46           HD2      PHE  46  64.195  15.740   4.654
  357    HD2  PHE  46           HD1      PHE  46  62.822  11.676   4.880
  358    HE1  PHE  46           HE2      PHE  46  64.383  15.813   7.125
  359    HE2  PHE  46           HE1      PHE  46  63.012  11.750   7.352
  360    HZ   PHE  46           HZ       PHE  46  63.792  13.818   8.474
  361    H    TRP  47           HN       TRP  47  64.407  11.189   1.771
  362    HA   TRP  47           HA       TRP  47  65.532   9.779   3.945
  363    HB2  TRP  47           HB2      TRP  47  63.933   8.672   2.551
  364    HB3  TRP  47           HB1      TRP  47  64.913   8.945   1.110
  365    HD1  TRP  47           HD1      TRP  47  64.758   6.828   4.284
  366    HE1  TRP  47           HE1      TRP  47  66.368   4.829   4.029
  367    HE3  TRP  47           HE3      TRP  47  67.062   8.101  -0.092
  368    HZ2  TRP  47           HZ2      TRP  47  68.367   3.894   2.209
  369    HZ3  TRP  47           HZ3      TRP  47  68.812   6.640  -1.063
  370    HH2  TRP  47           HH2      TRP  47  69.467   4.541   0.081
  371    H    ASN  48           HN       ASN  48  66.862  10.704   0.792
  372    HA   ASN  48           HA       ASN  48  69.295   9.285   1.006
  373    HB2  ASN  48           HB2      ASN  48  68.488  10.204  -1.119
  374    HB3  ASN  48           HB1      ASN  48  68.684  11.841  -0.495
  375   HD21  ASN  48          HD21      ASN  48  70.317  12.342  -2.146
  376   HD22  ASN  48          HD22      ASN  48  71.881  11.690  -2.048
  377    H    ASP  49           HN       ASP  49  68.354  12.557   1.989
  378    HA   ASP  49           HA       ASP  49  71.026  13.082   3.044
  379    HB2  ASP  49           HB2      ASP  49  69.798  14.875   1.871
  380    HB3  ASP  49           HB1      ASP  49  68.530  14.794   3.091
  381    H    PHE  50           HN       PHE  50  71.505  12.203   4.952
  382    HA   PHE  50           HA       PHE  50  71.223  11.313   7.071
  383    HB2  PHE  50           HB2      PHE  50  71.545  13.686   7.546
  384    HB3  PHE  50           HB1      PHE  50  69.819  13.982   7.335
  385    HD1  PHE  50           HD1      PHE  50  72.229  11.936   9.336
  386    HD2  PHE  50           HD2      PHE  50  68.351  13.772   9.157
  387    HE1  PHE  50           HE1      PHE  50  71.836  11.333  11.709
  388    HE2  PHE  50           HE2      PHE  50  67.956  13.170  11.531
  389    HZ   PHE  50           HZ       PHE  50  69.698  11.950  12.806
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1  33.944   9.670  40.723
    2    H2   MET   1           HT2      MET   1  33.928  11.006  39.679
    3    H3   MET   1           HT3      MET   1  35.387  10.481  40.367
    4    HA   MET   1           HA       MET   1  34.253   9.722  37.944
    5    HB2  MET   1           HB2      MET   1  36.652   8.763  39.525
    6    HB3  MET   1           HB1      MET   1  36.340   8.326  37.843
    7    HG2  MET   1           HG2      MET   1  36.336  10.707  37.214
    8    HG3  MET   1           HG1      MET   1  36.634  11.159  38.888
    9    HE1  MET   1           HE1      MET   1  38.756  12.472  38.586
   10    HE2  MET   1           HE2      MET   1  38.421  12.358  36.862
   11    HE3  MET   1           HE3      MET   1  40.045  12.038  37.458
   12    H    ALA   2           HN       ALA   2  33.340   8.607  40.858
   13    HA   ALA   2           HA       ALA   2  33.341   5.793  40.553
   14    HB1  ALA   2           HB1      ALA   2  31.084   6.908  42.045
   15    HB2  ALA   2           HB2      ALA   2  32.642   7.572  42.536
   16    HB3  ALA   2           HB3      ALA   2  32.371   5.830  42.587
   17    H    GLU   3           HN       GLU   3  31.082   8.340  39.584
   18    HA   GLU   3           HA       GLU   3  28.946   6.673  38.774
   19    HB2  GLU   3           HB2      GLU   3  29.801   9.398  37.749
   20    HB3  GLU   3           HB1      GLU   3  28.263   8.624  37.381
   21    HG2  GLU   3           HG2      GLU   3  29.245   9.255  40.178
   22    HG3  GLU   3           HG1      GLU   3  28.093  10.238  39.273
   23    H    ALA   4           HN       ALA   4  28.568   5.525  36.940
   24    HA   ALA   4           HA       ALA   4  30.741   4.767  35.318
   25    HB1  ALA   4           HB1      ALA   4  27.868   4.524  34.448
   26    HB2  ALA   4           HB2      ALA   4  28.521   3.518  35.742
   27    HB3  ALA   4           HB3      ALA   4  29.211   3.431  34.124
   28    H    HIS   5           HN       HIS   5  28.112   7.107  34.805
   29    HA   HIS   5           HA       HIS   5  29.511   8.032  32.358
   30    HB2  HIS   5           HB2      HIS   5  26.564   8.162  33.028
   31    HB3  HIS   5           HB1      HIS   5  27.311   8.876  31.598
   32    HD2  HIS   5           HD2      HIS   5  25.905   5.492  32.701
   33    HE1  HIS   5           HE1      HIS   5  28.255   4.723  29.279
   34    HE2  HIS   5           HE2      HIS   5  26.531   3.744  30.866
   35    H    GLN   6           HN       GLN   6  30.160  10.087  32.221
   36    HA   GLN   6           HA       GLN   6  29.677  11.835  34.532
   37    HB2  GLN   6           HB2      GLN   6  32.011  11.451  33.790
   38    HB3  GLN   6           HB1      GLN   6  31.614  12.148  32.220
   39    HG2  GLN   6           HG2      GLN   6  32.674  13.846  33.604
   40    HG3  GLN   6           HG1      GLN   6  30.984  14.276  33.365
   41   HE21  GLN   6          HE21      GLN   6  30.517  15.341  35.325
   42   HE22  GLN   6          HE22      GLN   6  30.705  14.628  36.853
   43    H    ALA   7           HN       ALA   7  28.457  13.638  34.438
   44    HA   ALA   7           HA       ALA   7  26.643  14.070  32.328
   45    HB1  ALA   7           HB1      ALA   7  27.277  16.402  34.028
   46    HB2  ALA   7           HB2      ALA   7  26.811  14.937  34.897
   47    HB3  ALA   7           HB3      ALA   7  25.725  15.634  33.697
   48    H    VAL   8           HN       VAL   8  29.747  15.587  33.090
   49    HA   VAL   8           HA       VAL   8  29.607  17.017  30.495
   50    HB   VAL   8           HB       VAL   8  30.818  17.874  33.118
   51   HG11  VAL   8          HG11      VAL   8  32.518  18.596  31.715
   52   HG12  VAL   8          HG12      VAL   8  31.390  19.942  31.540
   53   HG13  VAL   8          HG13      VAL   8  31.457  18.682  30.306
   54   HG21  VAL   8          HG21      VAL   8  29.240  19.579  33.059
   55   HG22  VAL   8          HG22      VAL   8  28.339  18.266  32.301
   56   HG23  VAL   8          HG23      VAL   8  29.088  19.510  31.304
   57    H    GLY   9           HN       GLY   9  31.146  16.641  29.079
   58    HA2  GLY   9           HA2      GLY   9  33.261  14.749  29.747
   59    HA3  GLY   9           HA1      GLY   9  32.816  15.298  28.133
   60    H    PHE  10           HN       PHE  10  35.352  15.290  28.315
   61    HA   PHE  10           HA       PHE  10  36.163  18.071  28.925
   62    HB2  PHE  10           HB2      PHE  10  37.753  15.531  29.372
   63    HB3  PHE  10           HB1      PHE  10  38.403  17.167  29.522
   64    HD1  PHE  10           HD1      PHE  10  37.566  18.693  31.302
   65    HD2  PHE  10           HD2      PHE  10  36.308  14.593  31.048
   66    HE1  PHE  10           HE1      PHE  10  36.693  18.815  33.624
   67    HE2  PHE  10           HE2      PHE  10  35.440  14.714  33.367
   68    HZ   PHE  10           HZ       PHE  10  35.629  16.823  34.654
   69    H    ARG  11           HN       ARG  11  37.676  18.978  27.490
   70    HA   ARG  11           HA       ARG  11  38.441  19.378  25.344
   71    HB2  ARG  11           HB2      ARG  11  40.140  17.795  26.339
   72    HB3  ARG  11           HB1      ARG  11  39.295  16.484  25.526
   73    HG2  ARG  11           HG2      ARG  11  40.655  16.935  23.763
   74    HG3  ARG  11           HG1      ARG  11  39.595  18.317  23.488
   75    HD2  ARG  11           HD2      ARG  11  41.712  19.312  23.561
   76    HD3  ARG  11           HD1      ARG  11  41.132  19.535  25.210
   77    HE   ARG  11           HE       ARG  11  42.483  17.108  25.197
   78   HH11  ARG  11          HH21      ARG  11  43.141  20.429  24.476
   79   HH12  ARG  11          HH22      ARG  11  44.804  20.346  24.952
   80   HH21  ARG  11          HH11      ARG  11  44.671  17.010  25.859
   81   HH22  ARG  11          HH12      ARG  11  45.667  18.422  25.727
   82    HA   PRO  12           HA       PRO  12  34.713  17.236  23.520
   83    HB2  PRO  12           HB2      PRO  12  34.242  19.949  22.442
   84    HB3  PRO  12           HB1      PRO  12  33.143  18.885  23.341
   85    HG2  PRO  12           HG2      PRO  12  34.229  21.108  24.413
   86    HG3  PRO  12           HG1      PRO  12  33.831  19.671  25.369
   87    HD2  PRO  12           HD2      PRO  12  36.505  20.632  24.434
   88    HD3  PRO  12           HD1      PRO  12  36.070  19.780  25.931
   89    H    SER  13           HN       SER  13  34.566  16.490  21.413
   90    HA   SER  13           HA       SER  13  36.828  16.964  19.689
   91    HB2  SER  13           HB2      SER  13  36.029  15.194  18.391
   92    HB3  SER  13           HB1      SER  13  35.471  14.766  20.005
   93    HG   SER  13           HG       SER  13  33.532  14.860  19.223
   94    H    LEU  14           HN       LEU  14  36.586  17.519  17.401
   95    HA   LEU  14           HA       LEU  14  34.607  19.686  17.043
   96    HB2  LEU  14           HB2      LEU  14  37.230  19.210  15.601
   97    HB3  LEU  14           HB1      LEU  14  36.145  20.575  15.344
   98    HG   LEU  14           HG       LEU  14  37.487  19.903  17.975
   99   HD11  LEU  14          HD11      LEU  14  38.473  22.319  17.201
  100   HD12  LEU  14          HD12      LEU  14  38.288  21.526  15.635
  101   HD13  LEU  14          HD13      LEU  14  39.285  20.784  16.885
  102   HD21  LEU  14          HD21      LEU  14  35.585  21.114  18.583
  103   HD22  LEU  14          HD22      LEU  14  35.552  22.017  17.068
  104   HD23  LEU  14          HD23      LEU  14  36.744  22.414  18.308
  105    H    THR  15           HN       THR  15  33.115  19.522  15.490
  106    HA   THR  15           HA       THR  15  32.763  17.083  14.080
  107    HB   THR  15           HB       THR  15  30.945  18.345  12.912
  108    HG1  THR  15           HG1      THR  15  30.924  20.487  14.449
  109   HG21  THR  15          HG21      THR  15  29.582  18.561  14.896
  110   HG22  THR  15          HG22      THR  15  31.009  18.762  15.910
  111   HG23  THR  15          HG23      THR  15  30.684  17.209  15.138
  112    H    SER  16           HN       SER  16  34.196  20.173  13.271
  113    HA   SER  16           HA       SER  16  34.301  19.895  10.476
  114    HB2  SER  16           HB2      SER  16  34.714  22.018  11.623
  115    HB3  SER  16           HB1      SER  16  36.200  21.366  12.311
  116    HG   SER  16           HG       SER  16  37.006  22.164  10.523
  117    H    ASP  17           HN       ASP  17  36.649  18.924  12.979
  118    HA   ASP  17           HA       ASP  17  38.323  17.683  10.908
  119    HB2  ASP  17           HB2      ASP  17  39.311  19.098  12.763
  120    HB3  ASP  17           HB1      ASP  17  38.858  17.815  13.877
  121    H    GLY  18           HN       GLY  18  37.677  15.697  10.314
  122    HA2  GLY  18           HA2      GLY  18  37.668  13.546  12.181
  123    HA3  GLY  18           HA1      GLY  18  36.026  13.956  11.700
  124    H    ALA  19           HN       ALA  19  36.810  11.502  11.086
  125    HA   ALA  19           HA       ALA  19  38.159  11.173   8.624
  126    HB1  ALA  19           HB1      ALA  19  37.668   8.943   8.843
  127    HB2  ALA  19           HB2      ALA  19  36.036   9.250   9.446
  128    HB3  ALA  19           HB3      ALA  19  37.426   9.459  10.514
  129    H    GLU  20           HN       GLU  20  37.430  10.926   6.564
  130    HA   GLU  20           HA       GLU  20  35.169  12.426   5.743
  131    HB2  GLU  20           HB2      GLU  20  36.915  10.411   4.317
  132    HB3  GLU  20           HB1      GLU  20  35.688  11.395   3.510
  133    HG2  GLU  20           HG2      GLU  20  36.817  13.439   4.224
  134    HG3  GLU  20           HG1      GLU  20  38.000  12.498   5.135
  135    H    VAL  21           HN       VAL  21  35.813   8.967   6.097
  136    HA   VAL  21           HA       VAL  21  32.907   8.493   6.016
  137    HB   VAL  21           HB       VAL  21  33.625   7.877   3.824
  138   HG11  VAL  21          HG11      VAL  21  35.847   6.372   5.229
  139   HG12  VAL  21          HG12      VAL  21  36.025   7.760   4.153
  140   HG13  VAL  21          HG13      VAL  21  35.476   6.212   3.511
  141   HG21  VAL  21          HG21      VAL  21  33.617   5.313   5.422
  142   HG22  VAL  21          HG22      VAL  21  33.036   5.558   3.778
  143   HG23  VAL  21          HG23      VAL  21  32.163   6.266   5.139
  144    H    GLU  22           HN       GLU  22  32.150   7.033   7.435
  145    HA   GLU  22           HA       GLU  22  33.772   6.273   9.647
  146    HB2  GLU  22           HB2      GLU  22  30.966   5.508   8.847
  147    HB3  GLU  22           HB1      GLU  22  31.721   5.026  10.367
  148    HG2  GLU  22           HG2      GLU  22  32.064   7.366  10.977
  149    HG3  GLU  22           HG1      GLU  22  31.390   7.887   9.433
  150    H    LEU  23           HN       LEU  23  32.440   4.451   6.888
  151    HA   LEU  23           HA       LEU  23  33.985   2.090   7.804
  152    HB2  LEU  23           HB2      LEU  23  31.541   2.216   6.031
  153    HB3  LEU  23           HB1      LEU  23  32.376   0.744   6.521
  154    HG   LEU  23           HG       LEU  23  31.065   2.735   8.400
  155   HD11  LEU  23          HD11      LEU  23  29.980   0.072   8.486
  156   HD12  LEU  23          HD12      LEU  23  29.943   0.664   6.826
  157   HD13  LEU  23          HD13      LEU  23  29.161   1.588   8.106
  158   HD21  LEU  23          HD21      LEU  23  32.696   1.773   9.736
  159   HD22  LEU  23          HD22      LEU  23  32.740   0.282   8.800
  160   HD23  LEU  23          HD23      LEU  23  31.412   0.580   9.921
  161    H    SER  24           HN       SER  24  35.605   1.369   6.598
  162    HA   SER  24           HA       SER  24  35.869   0.902   3.970
  163    HB2  SER  24           HB2      SER  24  37.180   3.136   3.306
  164    HB3  SER  24           HB1      SER  24  35.452   2.959   3.040
  165    HG   SER  24           HG       SER  24  36.420   3.896   5.506
  166    H    ALA  25           HN       ALA  25  37.044   0.756   6.821
  167    HA   ALA  25           HA       ALA  25  39.654   1.527   6.951
  168    HB1  ALA  25           HB1      ALA  25  39.555  -1.117   7.995
  169    HB2  ALA  25           HB2      ALA  25  38.009  -0.328   8.323
  170    HB3  ALA  25           HB3      ALA  25  39.510   0.414   8.869
  171    HA   PRO  26           HA       PRO  26  41.063  -2.605   4.743
  172    HB2  PRO  26           HB2      PRO  26  38.787  -2.864   2.835
  173    HB3  PRO  26           HB1      PRO  26  39.704  -4.124   3.681
  174    HG2  PRO  26           HG2      PRO  26  37.227  -3.486   4.418
  175    HG3  PRO  26           HG1      PRO  26  38.468  -3.929   5.608
  176    HD2  PRO  26           HD2      PRO  26  37.375  -1.219   4.948
  177    HD3  PRO  26           HD1      PRO  26  37.912  -1.872   6.511
  178    H    VAL  27           HN       VAL  27  38.998  -0.326   2.957
  179    HA   VAL  27           HA       VAL  27  40.643  -0.115   0.639
  180    HB   VAL  27           HB       VAL  27  38.539   1.696   1.839
  181   HG11  VAL  27          HG11      VAL  27  39.618   3.224   0.495
  182   HG12  VAL  27          HG12      VAL  27  38.581   2.468  -0.713
  183   HG13  VAL  27          HG13      VAL  27  40.273   1.986  -0.577
  184   HG21  VAL  27          HG21      VAL  27  37.102   0.743   0.126
  185   HG22  VAL  27          HG22      VAL  27  37.842  -0.573   1.036
  186   HG23  VAL  27          HG23      VAL  27  38.456  -0.155  -0.563
  187    H    LEU  28           HN       LEU  28  40.306   1.746   3.613
  188    HA   LEU  28           HA       LEU  28  42.147   3.802   3.003
  189    HB2  LEU  28           HB2      LEU  28  41.204   2.676   5.638
  190    HB3  LEU  28           HB1      LEU  28  42.260   4.077   5.522
  191    HG   LEU  28           HG       LEU  28  39.566   3.869   4.145
  192   HD11  LEU  28          HD11      LEU  28  38.800   4.053   6.289
  193   HD12  LEU  28          HD12      LEU  28  39.229   5.749   6.070
  194   HD13  LEU  28          HD13      LEU  28  40.340   4.658   6.894
  195   HD21  LEU  28          HD21      LEU  28  40.024   6.501   4.377
  196   HD22  LEU  28          HD22      LEU  28  40.617   5.576   2.996
  197   HD23  LEU  28          HD23      LEU  28  41.703   5.960   4.332
  198    H    GLN  29           HN       GLN  29  42.551   0.643   4.552
  199    HA   GLN  29           HA       GLN  29  45.267   0.992   5.271
  200    HB2  GLN  29           HB2      GLN  29  43.830  -0.790   6.215
  201    HB3  GLN  29           HB1      GLN  29  43.805  -1.589   4.639
  202    HG2  GLN  29           HG2      GLN  29  46.274  -1.805   4.724
  203    HG3  GLN  29           HG1      GLN  29  46.275  -1.035   6.307
  204   HE21  GLN  29          HE21      GLN  29  46.312  -2.510   8.001
  205   HE22  GLN  29          HE22      GLN  29  45.673  -4.087   7.934
  206    H    GLU  30           HN       GLU  30  43.707  -0.279   2.315
  207    HA   GLU  30           HA       GLU  30  46.151  -1.029   1.052
  208    HB2  GLU  30           HB2      GLU  30  43.413  -0.417  -0.085
  209    HB3  GLU  30           HB1      GLU  30  44.770  -0.987  -1.058
  210    HG2  GLU  30           HG2      GLU  30  44.949  -3.010   0.274
  211    HG3  GLU  30           HG1      GLU  30  43.699  -2.442   1.374
  212    H    ILE  31           HN       ILE  31  44.207   1.963   1.000
  213    HA   ILE  31           HA       ILE  31  45.768   3.289  -0.966
  214    HB   ILE  31           HB       ILE  31  44.076   4.335   1.312
  215   HG12  ILE  31          HG12      ILE  31  43.559   4.331  -1.676
  216   HG13  ILE  31          HG11      ILE  31  42.971   3.070  -0.592
  217   HG21  ILE  31          HG21      ILE  31  44.172   6.487  -0.093
  218   HG22  ILE  31          HG22      ILE  31  45.579   5.772  -0.879
  219   HG23  ILE  31          HG23      ILE  31  45.603   6.093   0.857
  220   HD11  ILE  31          HD11      ILE  31  41.267   4.841  -0.994
  221   HD12  ILE  31          HD12      ILE  31  42.368   6.023  -0.287
  222   HD13  ILE  31          HD13      ILE  31  41.720   4.723   0.707
  223    H    TYR  32           HN       TYR  32  45.951   3.173   2.598
  224    HA   TYR  32           HA       TYR  32  48.087   4.982   2.908
  225    HB2  TYR  32           HB2      TYR  32  46.733   4.308   4.800
  226    HB3  TYR  32           HB1      TYR  32  47.238   2.633   4.614
  227    HD1  TYR  32           HD2      TYR  32  48.418   6.055   5.479
  228    HD2  TYR  32           HD1      TYR  32  49.338   1.860   5.438
  229    HE1  TYR  32           HE2      TYR  32  50.412   6.476   6.895
  230    HE2  TYR  32           HE1      TYR  32  51.328   2.281   6.855
  231    HH   TYR  32           HH       TYR  32  52.259   3.864   8.295
  232    H    LEU  33           HN       LEU  33  48.068   1.439   2.558
  233    HA   LEU  33           HA       LEU  33  50.864   1.070   2.761
  234    HB2  LEU  33           HB2      LEU  33  49.248  -0.779   2.948
  235    HB3  LEU  33           HB1      LEU  33  48.780  -0.553   1.265
  236    HG   LEU  33           HG       LEU  33  51.064  -1.140   0.539
  237   HD11  LEU  33          HD11      LEU  33  51.536  -1.041   3.483
  238   HD12  LEU  33          HD12      LEU  33  52.588  -0.538   2.161
  239   HD13  LEU  33          HD13      LEU  33  52.423  -2.245   2.554
  240   HD21  LEU  33          HD21      LEU  33  50.732  -3.412   0.725
  241   HD22  LEU  33          HD22      LEU  33  49.170  -2.886   1.355
  242   HD23  LEU  33          HD23      LEU  33  50.466  -3.334   2.467
  243    H    SER  34           HN       SER  34  48.734   1.602  -0.012
  244    HA   SER  34           HA       SER  34  50.711   1.398  -2.033
  245    HB2  SER  34           HB2      SER  34  48.295   1.240  -2.474
  246    HB3  SER  34           HB1      SER  34  48.114   2.935  -2.027
  247    HG   SER  34           HG       SER  34  49.486   3.476  -3.734
  248    H    GLY  35           HN       GLY  35  49.376   4.164  -0.224
  249    HA2  GLY  35           HA2      GLY  35  50.733   6.185  -1.641
  250    HA3  GLY  35           HA1      GLY  35  50.084   6.327  -0.005
  251    H    LEU  36           HN       LEU  36  51.702   4.147   1.094
  252    HA   LEU  36           HA       LEU  36  53.993   5.612   1.841
  253    HB2  LEU  36           HB2      LEU  36  53.031   3.815   3.227
  254    HB3  LEU  36           HB1      LEU  36  53.509   2.635   2.011
  255    HG   LEU  36           HG       LEU  36  55.880   3.216   2.358
  256   HD11  LEU  36          HD11      LEU  36  55.998   5.458   3.014
  257   HD12  LEU  36          HD12      LEU  36  56.232   4.639   4.559
  258   HD13  LEU  36          HD13      LEU  36  54.650   5.298   4.141
  259   HD21  LEU  36          HD21      LEU  36  56.082   2.304   4.640
  260   HD22  LEU  36          HD22      LEU  36  54.823   1.460   3.740
  261   HD23  LEU  36          HD23      LEU  36  54.384   2.676   4.937
  262    H    ARG  37           HN       ARG  37  53.483   3.004  -0.519
  263    HA   ARG  37           HA       ARG  37  56.199   2.663  -1.215
  264    HB2  ARG  37           HB2      ARG  37  53.644   2.135  -2.738
  265    HB3  ARG  37           HB1      ARG  37  55.238   1.717  -3.365
  266    HG2  ARG  37           HG2      ARG  37  55.661   0.287  -1.409
  267    HG3  ARG  37           HG1      ARG  37  54.092   0.736  -0.730
  268    HD2  ARG  37           HD2      ARG  37  52.953  -0.255  -2.660
  269    HD3  ARG  37           HD1      ARG  37  54.506  -0.676  -3.385
  270    HE   ARG  37           HE       ARG  37  53.224  -1.986  -1.110
  271   HH11  ARG  37          HH21      ARG  37  56.071  -1.498  -3.042
  272   HH12  ARG  37          HH22      ARG  37  56.808  -2.989  -2.562
  273   HH21  ARG  37          HH11      ARG  37  54.167  -3.955  -0.535
  274   HH22  ARG  37          HH12      ARG  37  55.716  -4.395  -1.178
  275    H    SER  38           HN       SER  38  53.689   4.824  -2.487
  276    HA   SER  38           HA       SER  38  55.301   5.891  -4.612
  277    HB2  SER  38           HB2      SER  38  53.519   7.605  -4.748
  278    HB3  SER  38           HB1      SER  38  52.870   5.965  -4.742
  279    HG   SER  38           HG       SER  38  51.747   6.676  -3.113
  280    H    TRP  39           HN       TRP  39  54.710   6.714  -1.254
  281    HA   TRP  39           HA       TRP  39  55.738   9.328  -1.235
  282    HB2  TRP  39           HB2      TRP  39  54.813   7.408   0.679
  283    HB3  TRP  39           HB1      TRP  39  56.283   8.159   1.273
  284    HD1  TRP  39           HD1      TRP  39  55.777  10.256   2.627
  285    HE1  TRP  39           HE1      TRP  39  54.010  12.130   2.542
  286    HE3  TRP  39           HE3      TRP  39  53.062   8.701  -1.394
  287    HZ2  TRP  39           HZ2      TRP  39  51.738  12.869   0.968
  288    HZ3  TRP  39           HZ3      TRP  39  51.104  10.006  -2.175
  289    HH2  TRP  39           HH2      TRP  39  50.438  12.089  -0.999
  290    H    LYS  40           HN       LYS  40  57.399   6.200  -0.945
  291    HA   LYS  40           HA       LYS  40  59.845   7.098   0.040
  292    HB2  LYS  40           HB2      LYS  40  59.233   4.715  -0.282
  293    HB3  LYS  40           HB1      LYS  40  59.408   4.935  -2.026
  294    HG2  LYS  40           HG2      LYS  40  61.762   5.583  -1.728
  295    HG3  LYS  40           HG1      LYS  40  61.597   5.423   0.021
  296    HD2  LYS  40           HD2      LYS  40  61.076   3.029  -0.252
  297    HD3  LYS  40           HD1      LYS  40  61.230   3.194  -1.997
  298    HE2  LYS  40           HE2      LYS  40  63.318   2.306  -1.066
  299    HE3  LYS  40           HE1      LYS  40  63.588   3.926  -1.703
  300    HZ1  LYS  40           HZ1      LYS  40  62.759   3.956   1.033
  301    HZ2  LYS  40           HZ2      LYS  40  64.107   4.683   0.304
  302    HZ3  LYS  40           HZ3      LYS  40  64.186   3.065   0.814
  303    H    ARG  41           HN       ARG  41  58.679   7.006  -3.368
  304    HA   ARG  41           HA       ARG  41  61.143   7.803  -4.473
  305    HB2  ARG  41           HB2      ARG  41  59.226   6.924  -5.787
  306    HB3  ARG  41           HB1      ARG  41  58.366   8.437  -5.500
  307    HG2  ARG  41           HG2      ARG  41  60.185   9.687  -6.604
  308    HG3  ARG  41           HG1      ARG  41  61.050   8.181  -6.888
  309    HD2  ARG  41           HD2      ARG  41  59.869   8.780  -8.912
  310    HD3  ARG  41           HD1      ARG  41  59.089   7.366  -8.210
  311    HE   ARG  41           HE       ARG  41  57.815   9.690  -7.238
  312   HH11  ARG  41          HH21      ARG  41  58.285   7.809 -10.105
  313   HH12  ARG  41          HH22      ARG  41  56.811   8.322 -10.853
  314   HH21  ARG  41          HH11      ARG  41  55.886  10.374  -8.200
  315   HH22  ARG  41          HH12      ARG  41  55.433   9.771  -9.760
  316    H    HIS  42           HN       HIS  42  58.387   9.555  -3.388
  317    HA   HIS  42           HA       HIS  42  59.275  12.210  -3.959
  318    HB2  HIS  42           HB2      HIS  42  57.180  11.110  -2.079
  319    HB3  HIS  42           HB1      HIS  42  57.444  12.837  -2.328
  320    HD2  HIS  42           HD2      HIS  42  57.974  11.649  -5.770
  321    HE1  HIS  42           HE1      HIS  42  53.772  11.861  -5.459
  322    HE2  HIS  42           HE2      HIS  42  55.721  11.757  -7.082
  323    H    LEU  43           HN       LEU  43  59.622  10.068  -1.226
  324    HA   LEU  43           HA       LEU  43  60.794  12.090   0.488
  325    HB2  LEU  43           HB2      LEU  43  60.413   9.135   0.879
  326    HB3  LEU  43           HB1      LEU  43  61.217  10.164   2.046
  327    HG   LEU  43           HG       LEU  43  58.394  10.613   1.028
  328   HD11  LEU  43          HD11      LEU  43  58.296   8.631   2.303
  329   HD12  LEU  43          HD12      LEU  43  57.911   9.895   3.471
  330   HD13  LEU  43          HD13      LEU  43  59.527   9.195   3.429
  331   HD21  LEU  43          HD21      LEU  43  58.619  11.875   3.444
  332   HD22  LEU  43          HD22      LEU  43  58.841  12.683   1.895
  333   HD23  LEU  43          HD23      LEU  43  60.241  12.112   2.801
  334    H    SER  44           HN       SER  44  61.931  10.355  -2.089
  335    HA   SER  44           HA       SER  44  64.323   9.246  -1.335
  336    HB2  SER  44           HB2      SER  44  65.099   9.764  -3.634
  337    HB3  SER  44           HB1      SER  44  63.474   9.088  -3.600
  338    HG   SER  44           HG       SER  44  64.233  11.351  -4.672
  339    H    ARG  45           HN       ARG  45  63.794  12.743  -2.101
  340    HA   ARG  45           HA       ARG  45  66.515  13.434  -1.895
  341    HB2  ARG  45           HB2      ARG  45  64.792  14.914  -2.860
  342    HB3  ARG  45           HB1      ARG  45  64.104  15.155  -1.257
  343    HG2  ARG  45           HG2      ARG  45  66.245  16.139  -0.483
  344    HG3  ARG  45           HG1      ARG  45  66.932  15.898  -2.092
  345    HD2  ARG  45           HD2      ARG  45  65.095  17.349  -3.019
  346    HD3  ARG  45           HD1      ARG  45  64.585  17.682  -1.368
  347    HE   ARG  45           HE       ARG  45  67.307  18.311  -1.523
  348   HH11  ARG  45          HH21      ARG  45  64.302  19.277  -2.944
  349   HH12  ARG  45          HH22      ARG  45  64.778  20.926  -3.180
  350   HH21  ARG  45          HH11      ARG  45  67.943  20.480  -1.813
  351   HH22  ARG  45          HH12      ARG  45  66.849  21.609  -2.545
  352    H    PHE  46           HN       PHE  46  63.961  13.624   0.585
  353    HA   PHE  46           HA       PHE  46  65.653  14.505   2.683
  354    HB2  PHE  46           HB2      PHE  46  62.985  13.075   2.712
  355    HB3  PHE  46           HB1      PHE  46  63.772  13.727   4.154
  356    HD1  PHE  46           HD2      PHE  46  64.325  16.210   4.238
  357    HD2  PHE  46           HD1      PHE  46  61.815  14.484   1.208
  358    HE1  PHE  46           HE2      PHE  46  63.439  18.463   3.691
  359    HE2  PHE  46           HE1      PHE  46  60.932  16.735   0.659
  360    HZ   PHE  46           HZ       PHE  46  61.743  18.723   1.901
  361    H    TRP  47           HN       TRP  47  64.609  11.298   1.615
  362    HA   TRP  47           HA       TRP  47  65.674   9.803   3.755
  363    HB2  TRP  47           HB2      TRP  47  64.176   8.667   2.299
  364    HB3  TRP  47           HB1      TRP  47  65.125   9.083   0.873
  365    HD1  TRP  47           HD1      TRP  47  66.782   7.289   0.085
  366    HE1  TRP  47           HE1      TRP  47  67.870   5.199   1.129
  367    HE3  TRP  47           HE3      TRP  47  65.031   7.664   4.879
  368    HZ2  TRP  47           HZ2      TRP  47  67.993   3.868   3.642
  369    HZ3  TRP  47           HZ3      TRP  47  65.660   5.967   6.574
  370    HH2  TRP  47           HH2      TRP  47  67.138   4.071   5.961
  371    H    ASN  48           HN       ASN  48  67.088  10.772   0.654
  372    HA   ASN  48           HA       ASN  48  69.532   9.400   0.954
  373    HB2  ASN  48           HB2      ASN  48  68.682  11.810  -0.625
  374    HB3  ASN  48           HB1      ASN  48  70.351  11.250  -0.643
  375   HD21  ASN  48          HD21      ASN  48  69.508   8.337  -0.426
  376   HD22  ASN  48          HD22      ASN  48  68.896   7.952  -1.961
  377    H    ASP  49           HN       ASP  49  68.544  12.668   1.873
  378    HA   ASP  49           HA       ASP  49  71.123  13.486   2.791
  379    HB2  ASP  49           HB2      ASP  49  68.326  14.555   3.195
  380    HB3  ASP  49           HB1      ASP  49  69.757  15.349   3.851
  381    H    PHE  50           HN       PHE  50  68.625  11.561   4.083
  382    HA   PHE  50           HA       PHE  50  68.272  10.540   6.091
  383    HB2  PHE  50           HB2      PHE  50  71.219  11.137   6.433
  384    HB3  PHE  50           HB1      PHE  50  70.276  10.038   7.444
  385    HD1  PHE  50           HD2      PHE  50  69.038   8.120   6.315
  386    HD2  PHE  50           HD1      PHE  50  72.139  10.377   4.379
  387    HE1  PHE  50           HE2      PHE  50  69.355   6.283   4.686
  388    HE2  PHE  50           HE1      PHE  50  72.460   8.534   2.747
  389    HZ   PHE  50           HZ       PHE  50  71.066   6.485   2.904
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1  56.279 -28.140  21.696
    2    H2   MET   1           HT2      MET   1  57.690 -27.193  21.621
    3    H3   MET   1           HT3      MET   1  56.524 -27.084  20.390
    4    HA   MET   1           HA       MET   1  56.394 -26.056  23.151
    5    HB2  MET   1           HB2      MET   1  55.845 -24.926  20.386
    6    HB3  MET   1           HB1      MET   1  55.577 -24.036  21.879
    7    HG2  MET   1           HG2      MET   1  58.241 -25.160  20.963
    8    HG3  MET   1           HG1      MET   1  57.764 -23.469  20.866
    9    HE1  MET   1           HE1      MET   1  56.236 -23.043  23.938
   10    HE2  MET   1           HE2      MET   1  56.962 -22.155  22.603
   11    HE3  MET   1           HE3      MET   1  57.683 -22.062  24.208
   12    H    ALA   2           HN       ALA   2  54.042 -24.543  22.556
   13    HA   ALA   2           HA       ALA   2  51.957 -26.513  22.013
   14    HB1  ALA   2           HB1      ALA   2  52.279 -26.765  24.407
   15    HB2  ALA   2           HB2      ALA   2  50.763 -25.911  24.117
   16    HB3  ALA   2           HB3      ALA   2  52.194 -25.018  24.634
   17    H    GLU   3           HN       GLU   3  49.921 -25.554  21.545
   18    HA   GLU   3           HA       GLU   3  50.034 -23.115  20.145
   19    HB2  GLU   3           HB2      GLU   3  48.369 -24.898  19.707
   20    HB3  GLU   3           HB1      GLU   3  47.598 -24.534  21.250
   21    HG2  GLU   3           HG2      GLU   3  47.123 -22.250  20.507
   22    HG3  GLU   3           HG1      GLU   3  47.955 -22.555  18.983
   23    H    ALA   4           HN       ALA   4  49.360 -21.055  20.635
   24    HA   ALA   4           HA       ALA   4  48.639 -19.269  21.914
   25    HB1  ALA   4           HB1      ALA   4  48.232 -20.867  24.382
   26    HB2  ALA   4           HB2      ALA   4  47.178 -21.241  23.018
   27    HB3  ALA   4           HB3      ALA   4  47.224 -19.608  23.675
   28    H    HIS   5           HN       HIS   5  50.828 -21.672  23.207
   29    HA   HIS   5           HA       HIS   5  52.109 -19.791  25.015
   30    HB2  HIS   5           HB2      HIS   5  52.685 -22.664  24.272
   31    HB3  HIS   5           HB1      HIS   5  53.681 -21.733  25.390
   32    HD2  HIS   5           HD2      HIS   5  50.338 -23.674  25.399
   33    HE1  HIS   5           HE1      HIS   5  50.576 -21.613  29.076
   34    HE2  HIS   5           HE2      HIS   5  49.294 -23.376  27.773
   35    H    GLN   6           HN       GLN   6  52.308 -20.573  21.729
   36    HA   GLN   6           HA       GLN   6  55.086 -20.320  21.255
   37    HB2  GLN   6           HB2      GLN   6  52.711 -19.740  19.472
   38    HB3  GLN   6           HB1      GLN   6  54.386 -19.751  18.919
   39    HG2  GLN   6           HG2      GLN   6  54.624 -22.086  19.656
   40    HG3  GLN   6           HG1      GLN   6  52.954 -22.083  20.227
   41   HE21  GLN   6          HE21      GLN   6  53.012 -23.981  18.505
   42   HE22  GLN   6          HE22      GLN   6  52.586 -23.541  16.921
   43    H    ALA   7           HN       ALA   7  52.462 -17.938  21.434
   44    HA   ALA   7           HA       ALA   7  54.457 -15.830  21.815
   45    HB1  ALA   7           HB1      ALA   7  52.295 -15.047  19.981
   46    HB2  ALA   7           HB2      ALA   7  53.460 -16.180  19.301
   47    HB3  ALA   7           HB3      ALA   7  54.007 -14.633  19.947
   48    H    VAL   8           HN       VAL   8  53.667 -14.014  22.911
   49    HA   VAL   8           HA       VAL   8  50.920 -14.276  23.984
   50    HB   VAL   8           HB       VAL   8  51.778 -13.274  26.083
   51   HG11  VAL   8          HG11      VAL   8  52.168 -15.912  25.088
   52   HG12  VAL   8          HG12      VAL   8  51.992 -15.405  26.771
   53   HG13  VAL   8          HG13      VAL   8  53.594 -15.499  26.042
   54   HG21  VAL   8          HG21      VAL   8  53.719 -12.079  25.328
   55   HG22  VAL   8          HG22      VAL   8  54.419 -13.535  24.618
   56   HG23  VAL   8          HG23      VAL   8  54.310 -13.374  26.371
   57    H    GLY   9           HN       GLY   9  49.633 -12.544  23.840
   58    HA2  GLY   9           HA2      GLY   9  49.028 -10.284  23.735
   59    HA3  GLY   9           HA1      GLY   9  50.730  -9.857  23.576
   60    H    PHE  10           HN       PHE  10  50.084 -12.348  21.484
   61    HA   PHE  10           HA       PHE  10  49.840 -10.490  19.207
   62    HB2  PHE  10           HB2      PHE  10  50.851 -13.328  19.383
   63    HB3  PHE  10           HB1      PHE  10  50.675 -12.438  17.873
   64    HD1  PHE  10           HD2      PHE  10  52.050 -10.426  17.430
   65    HD2  PHE  10           HD1      PHE  10  52.611 -12.824  20.949
   66    HE1  PHE  10           HE2      PHE  10  54.253  -9.353  17.810
   67    HE2  PHE  10           HE1      PHE  10  54.813 -11.751  21.331
   68    HZ   PHE  10           HZ       PHE  10  55.634 -10.017  19.761
   69    H    ARG  11           HN       ARG  11  47.788 -12.086  21.059
   70    HA   ARG  11           HA       ARG  11  46.004 -12.766  18.802
   71    HB2  ARG  11           HB2      ARG  11  46.855 -14.866  19.679
   72    HB3  ARG  11           HB1      ARG  11  46.434 -14.382  21.322
   73    HG2  ARG  11           HG2      ARG  11  44.194 -14.747  21.008
   74    HG3  ARG  11           HG1      ARG  11  44.248 -14.271  19.310
   75    HD2  ARG  11           HD2      ARG  11  45.291 -16.383  18.704
   76    HD3  ARG  11           HD1      ARG  11  45.393 -16.856  20.398
   77    HE   ARG  11           HE       ARG  11  42.701 -16.284  19.757
   78   HH11  ARG  11          HH21      ARG  11  45.220 -18.580  19.143
   79   HH12  ARG  11          HH22      ARG  11  44.131 -19.891  18.832
   80   HH21  ARG  11          HH11      ARG  11  41.279 -17.984  19.345
   81   HH22  ARG  11          HH12      ARG  11  41.895 -19.553  18.948
   82    HA   PRO  12           HA       PRO  12  44.100  -9.740  21.792
   83    HB2  PRO  12           HB2      PRO  12  42.802  -8.814  19.298
   84    HB3  PRO  12           HB1      PRO  12  43.685  -7.887  20.523
   85    HG2  PRO  12           HG2      PRO  12  44.690  -8.400  18.083
   86    HG3  PRO  12           HG1      PRO  12  45.702  -8.233  19.527
   87    HD2  PRO  12           HD2      PRO  12  44.926 -10.709  18.049
   88    HD3  PRO  12           HD1      PRO  12  46.418 -10.342  18.940
   89    H    SER  13           HN       SER  13  42.045  -9.785  22.645
   90    HA   SER  13           HA       SER  13  40.440 -12.053  22.216
   91    HB2  SER  13           HB2      SER  13  39.703  -9.424  23.523
   92    HB3  SER  13           HB1      SER  13  38.805 -10.930  23.674
   93    HG   SER  13           HG       SER  13  41.308 -10.201  24.707
   94    H    LEU  14           HN       LEU  14  40.196  -8.731  21.024
   95    HA   LEU  14           HA       LEU  14  37.862  -9.497  19.393
   96    HB2  LEU  14           HB2      LEU  14  39.013  -6.759  19.993
   97    HB3  LEU  14           HB1      LEU  14  37.544  -7.074  19.067
   98    HG   LEU  14           HG       LEU  14  37.995  -7.845  21.968
   99   HD11  LEU  14          HD11      LEU  14  37.479  -5.334  21.007
  100   HD12  LEU  14          HD12      LEU  14  36.967  -5.914  22.591
  101   HD13  LEU  14          HD13      LEU  14  35.844  -5.956  21.233
  102   HD21  LEU  14          HD21      LEU  14  36.430  -9.403  21.321
  103   HD22  LEU  14          HD22      LEU  14  35.866  -8.431  19.960
  104   HD23  LEU  14          HD23      LEU  14  35.337  -8.045  21.597
  105    H    THR  15           HN       THR  15  38.002  -9.687  17.252
  106    HA   THR  15           HA       THR  15  40.499  -9.788  15.940
  107    HB   THR  15           HB       THR  15  37.713  -9.619  14.766
  108    HG1  THR  15           HG1      THR  15  39.038 -11.981  14.678
  109   HG21  THR  15          HG21      THR  15  39.082  -9.177  12.938
  110   HG22  THR  15          HG22      THR  15  39.043 -10.940  12.916
  111   HG23  THR  15          HG23      THR  15  40.431 -10.096  13.601
  112    H    SER  16           HN       SER  16  37.913  -7.351  15.903
  113    HA   SER  16           HA       SER  16  39.809  -5.259  15.194
  114    HB2  SER  16           HB2      SER  16  38.416  -4.533  13.231
  115    HB3  SER  16           HB1      SER  16  39.268  -6.052  12.980
  116    HG   SER  16           HG       SER  16  36.828  -5.785  12.541
  117    H    ASP  17           HN       ASP  17  38.780  -3.107  15.228
  118    HA   ASP  17           HA       ASP  17  37.105  -2.788  17.490
  119    HB2  ASP  17           HB2      ASP  17  37.091  -0.400  16.850
  120    HB3  ASP  17           HB1      ASP  17  38.718  -1.083  16.813
  121    H    GLY  18           HN       GLY  18  36.469  -2.975  14.039
  122    HA2  GLY  18           HA2      GLY  18  33.632  -3.315  14.525
  123    HA3  GLY  18           HA1      GLY  18  34.041  -1.830  13.673
  124    H    ALA  19           HN       ALA  19  32.448  -3.590  12.386
  125    HA   ALA  19           HA       ALA  19  33.718  -5.566  10.807
  126    HB1  ALA  19           HB1      ALA  19  31.510  -5.885  10.480
  127    HB2  ALA  19           HB2      ALA  19  31.621  -4.612   9.265
  128    HB3  ALA  19           HB3      ALA  19  31.126  -4.218  10.911
  129    H    GLU  20           HN       GLU  20  34.622  -5.498   8.734
  130    HA   GLU  20           HA       GLU  20  35.984  -3.128   7.970
  131    HB2  GLU  20           HB2      GLU  20  35.471  -5.697   6.440
  132    HB3  GLU  20           HB1      GLU  20  36.560  -4.424   5.904
  133    HG2  GLU  20           HG2      GLU  20  38.020  -5.884   6.987
  134    HG3  GLU  20           HG1      GLU  20  37.666  -4.714   8.253
  135    H    VAL  21           HN       VAL  21  33.000  -4.643   6.835
  136    HA   VAL  21           HA       VAL  21  32.592  -3.003   4.570
  137    HB   VAL  21           HB       VAL  21  30.669  -4.499   6.351
  138   HG11  VAL  21          HG11      VAL  21  29.228  -4.235   4.168
  139   HG12  VAL  21          HG12      VAL  21  30.241  -2.816   3.893
  140   HG13  VAL  21          HG13      VAL  21  29.253  -2.924   5.349
  141   HG21  VAL  21          HG21      VAL  21  32.458  -5.673   4.927
  142   HG22  VAL  21          HG22      VAL  21  31.554  -5.097   3.528
  143   HG23  VAL  21          HG23      VAL  21  30.788  -6.188   4.687
  144    H    GLU  22           HN       GLU  22  31.479  -2.711   7.939
  145    HA   GLU  22           HA       GLU  22  29.958  -0.357   7.538
  146    HB2  GLU  22           HB2      GLU  22  31.227  -1.477  10.039
  147    HB3  GLU  22           HB1      GLU  22  30.137  -0.094  10.016
  148    HG2  GLU  22           HG2      GLU  22  28.361  -1.456   9.039
  149    HG3  GLU  22           HG1      GLU  22  29.439  -2.841   8.942
  150    H    LEU  23           HN       LEU  23  33.357  -0.857   8.419
  151    HA   LEU  23           HA       LEU  23  33.744   2.074   8.454
  152    HB2  LEU  23           HB2      LEU  23  35.543  -0.136   9.477
  153    HB3  LEU  23           HB1      LEU  23  35.879   1.593   9.596
  154    HG   LEU  23           HG       LEU  23  33.488   0.180  10.821
  155   HD11  LEU  23          HD11      LEU  23  34.640   0.811  12.972
  156   HD12  LEU  23          HD12      LEU  23  36.056   1.251  12.020
  157   HD13  LEU  23          HD13      LEU  23  35.488  -0.419  12.036
  158   HD21  LEU  23          HD21      LEU  23  32.694   2.333  10.582
  159   HD22  LEU  23          HD22      LEU  23  34.308   3.039  10.548
  160   HD23  LEU  23          HD23      LEU  23  33.599   2.540  12.082
  161    H    SER  24           HN       SER  24  34.747   3.032   6.822
  162    HA   SER  24           HA       SER  24  35.468   1.719   4.465
  163    HB2  SER  24           HB2      SER  24  36.231   4.438   5.527
  164    HB3  SER  24           HB1      SER  24  36.634   3.883   3.901
  165    HG   SER  24           HG       SER  24  34.706   4.703   3.536
  166    H    ALA  25           HN       ALA  25  36.959   0.696   6.960
  167    HA   ALA  25           HA       ALA  25  39.620   1.329   6.974
  168    HB1  ALA  25           HB1      ALA  25  38.002  -0.815   7.924
  169    HB2  ALA  25           HB2      ALA  25  39.591  -0.304   8.490
  170    HB3  ALA  25           HB3      ALA  25  39.456  -1.499   7.200
  171    HA   PRO  26           HA       PRO  26  40.391  -2.075   3.513
  172    HB2  PRO  26           HB2      PRO  26  37.957  -1.507   1.889
  173    HB3  PRO  26           HB1      PRO  26  38.790  -3.045   2.177
  174    HG2  PRO  26           HG2      PRO  26  36.487  -2.476   3.371
  175    HG3  PRO  26           HG1      PRO  26  37.764  -3.381   4.198
  176    HD2  PRO  26           HD2      PRO  26  36.926  -0.538   4.571
  177    HD3  PRO  26           HD1      PRO  26  37.554  -1.691   5.769
  178    H    VAL  27           HN       VAL  27  38.569   0.894   2.756
  179    HA   VAL  27           HA       VAL  27  40.086   1.592   0.435
  180    HB   VAL  27           HB       VAL  27  38.383   3.240   2.318
  181   HG11  VAL  27          HG11      VAL  27  40.130   3.986   0.059
  182   HG12  VAL  27          HG12      VAL  27  39.474   4.990   1.352
  183   HG13  VAL  27          HG13      VAL  27  38.484   4.602  -0.055
  184   HG21  VAL  27          HG21      VAL  27  37.185   1.514   1.023
  185   HG22  VAL  27          HG22      VAL  27  37.903   2.132  -0.465
  186   HG23  VAL  27          HG23      VAL  27  36.771   3.127   0.448
  187    H    LEU  28           HN       LEU  28  40.239   2.439   3.861
  188    HA   LEU  28           HA       LEU  28  42.338   4.317   3.667
  189    HB2  LEU  28           HB2      LEU  28  41.438   2.555   5.947
  190    HB3  LEU  28           HB1      LEU  28  42.692   3.780   6.116
  191    HG   LEU  28           HG       LEU  28  39.894   4.350   5.084
  192   HD11  LEU  28          HD11      LEU  28  39.812   5.519   7.434
  193   HD12  LEU  28          HD12      LEU  28  41.065   4.345   7.844
  194   HD13  LEU  28          HD13      LEU  28  39.481   3.792   7.302
  195   HD21  LEU  28          HD21      LEU  28  40.914   6.680   6.129
  196   HD22  LEU  28          HD22      LEU  28  40.956   6.255   4.419
  197   HD23  LEU  28          HD23      LEU  28  42.361   5.947   5.438
  198    H    GLN  29           HN       GLN  29  42.360   0.805   4.183
  199    HA   GLN  29           HA       GLN  29  45.138   0.554   4.639
  200    HB2  GLN  29           HB2      GLN  29  43.110  -1.408   3.544
  201    HB3  GLN  29           HB1      GLN  29  44.778  -1.839   3.926
  202    HG2  GLN  29           HG2      GLN  29  44.459  -1.139   6.252
  203    HG3  GLN  29           HG1      GLN  29  42.814  -0.620   5.892
  204   HE21  GLN  29          HE21      GLN  29  42.669  -2.378   7.831
  205   HE22  GLN  29          HE22      GLN  29  42.326  -3.958   7.305
  206    H    GLU  30           HN       GLU  30  43.242   0.494   1.619
  207    HA   GLU  30           HA       GLU  30  45.430  -0.217  -0.053
  208    HB2  GLU  30           HB2      GLU  30  42.844   1.231  -0.641
  209    HB3  GLU  30           HB1      GLU  30  43.998   0.745  -1.884
  210    HG2  GLU  30           HG2      GLU  30  43.776  -1.596  -1.223
  211    HG3  GLU  30           HG1      GLU  30  42.692  -1.147   0.093
  212    H    ILE  31           HN       ILE  31  44.123   2.899   1.047
  213    HA   ILE  31           HA       ILE  31  45.779   4.533  -0.586
  214    HB   ILE  31           HB       ILE  31  44.442   5.044   2.081
  215   HG12  ILE  31          HG12      ILE  31  43.746   6.070  -0.688
  216   HG13  ILE  31          HG11      ILE  31  43.020   4.622   0.014
  217   HG21  ILE  31          HG21      ILE  31  44.851   7.507   1.043
  218   HG22  ILE  31          HG22      ILE  31  46.284   6.689   0.426
  219   HG23  ILE  31          HG23      ILE  31  45.978   6.742   2.159
  220   HD11  ILE  31          HD11      ILE  31  41.995   5.856   1.773
  221   HD12  ILE  31          HD12      ILE  31  41.726   6.827   0.326
  222   HD13  ILE  31          HD13      ILE  31  42.996   7.274   1.464
  223    H    TYR  32           HN       TYR  32  46.133   3.242   2.717
  224    HA   TYR  32           HA       TYR  32  48.566   4.514   3.350
  225    HB2  TYR  32           HB2      TYR  32  47.229   3.416   5.060
  226    HB3  TYR  32           HB1      TYR  32  47.458   1.854   4.272
  227    HD1  TYR  32           HD1      TYR  32  49.319   4.671   5.890
  228    HD2  TYR  32           HD2      TYR  32  49.357   0.541   4.709
  229    HE1  TYR  32           HE1      TYR  32  51.456   4.339   7.111
  230    HE2  TYR  32           HE2      TYR  32  51.488   0.206   5.926
  231    HH   TYR  32           HH       TYR  32  53.467   1.791   6.641
  232    H    LEU  33           HN       LEU  33  47.928   1.302   1.943
  233    HA   LEU  33           HA       LEU  33  50.627   0.501   1.731
  234    HB2  LEU  33           HB2      LEU  33  48.185  -0.312   0.151
  235    HB3  LEU  33           HB1      LEU  33  49.755  -1.091  -0.013
  236    HG   LEU  33           HG       LEU  33  48.286  -0.818   2.623
  237   HD11  LEU  33          HD11      LEU  33  46.982  -2.208   1.064
  238   HD12  LEU  33          HD12      LEU  33  47.682  -3.190   2.352
  239   HD13  LEU  33          HD13      LEU  33  48.410  -3.198   0.747
  240   HD21  LEU  33          HD21      LEU  33  49.890  -2.909   2.986
  241   HD22  LEU  33          HD22      LEU  33  50.477  -1.268   3.228
  242   HD23  LEU  33          HD23      LEU  33  50.835  -2.122   1.727
  243    H    SER  34           HN       SER  34  48.471   2.178  -0.521
  244    HA   SER  34           HA       SER  34  50.319   2.210  -2.689
  245    HB2  SER  34           HB2      SER  34  48.806   3.922  -3.643
  246    HB3  SER  34           HB1      SER  34  47.936   2.498  -3.084
  247    HG   SER  34           HG       SER  34  48.352   4.813  -1.499
  248    H    GLY  35           HN       GLY  35  49.634   4.457  -0.039
  249    HA2  GLY  35           HA2      GLY  35  51.220   6.593  -1.030
  250    HA3  GLY  35           HA1      GLY  35  50.694   6.374   0.636
  251    H    LEU  36           HN       LEU  36  51.936   3.880   1.189
  252    HA   LEU  36           HA       LEU  36  54.507   4.737   1.929
  253    HB2  LEU  36           HB2      LEU  36  53.330   2.959   3.128
  254    HB3  LEU  36           HB1      LEU  36  53.396   1.925   1.706
  255    HG   LEU  36           HG       LEU  36  55.856   1.883   1.832
  256   HD11  LEU  36          HD11      LEU  36  55.334   3.918   3.968
  257   HD12  LEU  36          HD12      LEU  36  56.591   3.894   2.730
  258   HD13  LEU  36          HD13      LEU  36  56.727   2.851   4.146
  259   HD21  LEU  36          HD21      LEU  36  56.017   0.800   4.168
  260   HD22  LEU  36          HD22      LEU  36  54.835   0.117   3.053
  261   HD23  LEU  36          HD23      LEU  36  54.308   1.202   4.337
  262    H    ARG  37           HN       ARG  37  53.423   2.720  -0.813
  263    HA   ARG  37           HA       ARG  37  56.021   2.088  -1.753
  264    HB2  ARG  37           HB2      ARG  37  53.335   2.241  -3.131
  265    HB3  ARG  37           HB1      ARG  37  54.805   1.688  -3.944
  266    HG2  ARG  37           HG2      ARG  37  55.096  -0.078  -2.268
  267    HG3  ARG  37           HG1      ARG  37  53.673   0.492  -1.397
  268    HD2  ARG  37           HD2      ARG  37  53.616  -0.438  -4.277
  269    HD3  ARG  37           HD1      ARG  37  53.233  -1.473  -2.903
  270    HE   ARG  37           HE       ARG  37  51.660   0.831  -2.676
  271   HH11  ARG  37          HH21      ARG  37  52.160  -1.852  -4.777
  272   HH12  ARG  37          HH22      ARG  37  50.522  -1.905  -5.337
  273   HH21  ARG  37          HH11      ARG  37  49.499   0.765  -3.372
  274   HH22  ARG  37          HH12      ARG  37  49.006  -0.430  -4.526
  275    H    SER  38           HN       SER  38  53.805   4.754  -2.460
  276    HA   SER  38           HA       SER  38  55.463   5.974  -4.456
  277    HB2  SER  38           HB2      SER  38  53.030   6.317  -4.389
  278    HB3  SER  38           HB1      SER  38  53.191   7.125  -2.828
  279    HG   SER  38           HG       SER  38  54.086   8.816  -3.780
  280    H    TRP  39           HN       TRP  39  55.000   6.378  -0.985
  281    HA   TRP  39           HA       TRP  39  56.305   8.828  -0.666
  282    HB2  TRP  39           HB2      TRP  39  55.959   6.488   1.200
  283    HB3  TRP  39           HB1      TRP  39  56.699   8.007   1.691
  284    HD1  TRP  39           HD1      TRP  39  54.050   8.773  -0.770
  285    HE1  TRP  39           HE1      TRP  39  51.925   9.588   0.427
  286    HE3  TRP  39           HE3      TRP  39  55.145   7.403   4.040
  287    HZ2  TRP  39           HZ2      TRP  39  50.826   9.656   3.063
  288    HZ3  TRP  39           HZ3      TRP  39  53.538   7.860   5.869
  289    HH2  TRP  39           HH2      TRP  39  51.381   8.984   5.388
  290    H    LYS  40           HN       LYS  40  57.737   5.536  -0.789
  291    HA   LYS  40           HA       LYS  40  60.278   6.288   0.166
  292    HB2  LYS  40           HB2      LYS  40  59.520   3.931  -0.217
  293    HB3  LYS  40           HB1      LYS  40  59.691   4.204  -1.947
  294    HG2  LYS  40           HG2      LYS  40  62.075   4.727  -1.656
  295    HG3  LYS  40           HG1      LYS  40  61.912   4.520   0.087
  296    HD2  LYS  40           HD2      LYS  40  61.269   2.166  -0.238
  297    HD3  LYS  40           HD1      LYS  40  61.425   2.355  -1.986
  298    HE2  LYS  40           HE2      LYS  40  63.816   2.924  -1.704
  299    HE3  LYS  40           HE1      LYS  40  63.655   2.738   0.042
  300    HZ1  LYS  40           HZ1      LYS  40  62.687   0.414  -0.758
  301    HZ2  LYS  40           HZ2      LYS  40  64.340   0.661  -0.454
  302    HZ3  LYS  40           HZ3      LYS  40  63.749   0.708  -2.046
  303    H    ARG  41           HN       ARG  41  58.971   6.273  -3.161
  304    HA   ARG  41           HA       ARG  41  61.347   7.076  -4.430
  305    HB2  ARG  41           HB2      ARG  41  58.441   7.350  -5.172
  306    HB3  ARG  41           HB1      ARG  41  59.752   7.829  -6.250
  307    HG2  ARG  41           HG2      ARG  41  60.692   5.553  -6.137
  308    HG3  ARG  41           HG1      ARG  41  59.401   5.069  -5.042
  309    HD2  ARG  41           HD2      ARG  41  57.733   5.597  -6.786
  310    HD3  ARG  41           HD1      ARG  41  59.026   6.061  -7.880
  311    HE   ARG  41           HE       ARG  41  58.317   3.336  -7.071
  312   HH11  ARG  41          HH21      ARG  41  60.521   5.485  -8.672
  313   HH12  ARG  41          HH22      ARG  41  61.284   4.232  -9.592
  314   HH21  ARG  41          HH11      ARG  41  59.310   1.694  -8.303
  315   HH22  ARG  41          HH12      ARG  41  60.596   2.093  -9.386
  316    H    HIS  42           HN       HIS  42  58.705   8.930  -3.063
  317    HA   HIS  42           HA       HIS  42  59.785  11.500  -3.908
  318    HB2  HIS  42           HB2      HIS  42  57.426  10.789  -2.153
  319    HB3  HIS  42           HB1      HIS  42  57.865  12.432  -2.610
  320    HD2  HIS  42           HD2      HIS  42  55.622   9.713  -3.932
  321    HE1  HIS  42           HE1      HIS  42  56.624  12.025  -7.317
  322    HE2  HIS  42           HE2      HIS  42  55.073  10.216  -6.437
  323    H    LEU  43           HN       LEU  43  59.706   9.531  -1.034
  324    HA   LEU  43           HA       LEU  43  60.663  11.580   0.751
  325    HB2  LEU  43           HB2      LEU  43  59.151   9.780   1.519
  326    HB3  LEU  43           HB1      LEU  43  60.420   8.599   1.201
  327    HG   LEU  43           HG       LEU  43  61.884   9.719   2.846
  328   HD11  LEU  43          HD11      LEU  43  60.433  11.348   4.402
  329   HD12  LEU  43          HD12      LEU  43  59.625  11.675   2.869
  330   HD13  LEU  43          HD13      LEU  43  61.359  11.958   3.029
  331   HD21  LEU  43          HD21      LEU  43  59.117   8.913   3.773
  332   HD22  LEU  43          HD22      LEU  43  60.442   9.229   4.891
  333   HD23  LEU  43          HD23      LEU  43  60.574   7.918   3.721
  334    H    SER  44           HN       SER  44  62.245   9.097  -1.191
  335    HA   SER  44           HA       SER  44  64.583   8.818   0.319
  336    HB2  SER  44           HB2      SER  44  65.643   8.112  -1.782
  337    HB3  SER  44           HB1      SER  44  64.052   7.384  -1.572
  338    HG   SER  44           HG       SER  44  64.939   9.245  -3.414
  339    H    ARG  45           HN       ARG  45  63.874  11.250  -2.261
  340    HA   ARG  45           HA       ARG  45  66.441  12.356  -2.249
  341    HB2  ARG  45           HB2      ARG  45  64.729  12.765  -3.982
  342    HB3  ARG  45           HB1      ARG  45  63.813  13.737  -2.831
  343    HG2  ARG  45           HG2      ARG  45  65.735  15.279  -2.606
  344    HG3  ARG  45           HG1      ARG  45  66.635  14.311  -3.773
  345    HD2  ARG  45           HD2      ARG  45  64.813  14.713  -5.435
  346    HD3  ARG  45           HD1      ARG  45  64.047  15.795  -4.278
  347    HE   ARG  45           HE       ARG  45  66.793  16.492  -4.813
  348   HH11  ARG  45          HH21      ARG  45  63.510  16.715  -5.873
  349   HH12  ARG  45          HH22      ARG  45  63.748  18.185  -6.759
  350   HH21  ARG  45          HH11      ARG  45  67.124  18.407  -5.976
  351   HH22  ARG  45          HH12      ARG  45  65.803  19.145  -6.821
  352    H    PHE  46           HN       PHE  46  63.573  13.319  -0.446
  353    HA   PHE  46           HA       PHE  46  64.662  15.522   0.950
  354    HB2  PHE  46           HB2      PHE  46  62.258  15.163   0.833
  355    HB3  PHE  46           HB1      PHE  46  62.411  13.670   1.759
  356    HD1  PHE  46           HD1      PHE  46  63.063  17.337   1.911
  357    HD2  PHE  46           HD2      PHE  46  62.403  13.725   4.146
  358    HE1  PHE  46           HE1      PHE  46  62.933  18.655   4.001
  359    HE2  PHE  46           HE2      PHE  46  62.275  15.050   6.243
  360    HZ   PHE  46           HZ       PHE  46  62.539  17.518   6.168
  361    H    TRP  47           HN       TRP  47  64.453  12.113   1.779
  362    HA   TRP  47           HA       TRP  47  65.605  12.400   4.390
  363    HB2  TRP  47           HB2      TRP  47  64.159  10.546   4.055
  364    HB3  TRP  47           HB1      TRP  47  65.050  10.017   2.629
  365    HD1  TRP  47           HD1      TRP  47  67.090   8.494   2.977
  366    HE1  TRP  47           HE1      TRP  47  68.226   7.460   5.047
  367    HE3  TRP  47           HE3      TRP  47  64.712  11.101   6.663
  368    HZ2  TRP  47           HZ2      TRP  47  68.121   7.700   7.894
  369    HZ3  TRP  47           HZ3      TRP  47  65.245  10.681   9.046
  370    HH2  TRP  47           HH2      TRP  47  66.947   8.984   9.665
  371    H    ASN  48           HN       ASN  48  66.839  11.334   1.223
  372    HA   ASN  48           HA       ASN  48  69.433  10.621   2.111
  373    HB2  ASN  48           HB2      ASN  48  68.508   9.965  -0.106
  374    HB3  ASN  48           HB1      ASN  48  68.610  11.652  -0.618
  375   HD21  ASN  48          HD21      ASN  48  70.276  11.335  -2.219
  376   HD22  ASN  48          HD22      ASN  48  71.854  10.866  -1.805
  377    H    ASP  49           HN       ASP  49  68.068  13.645   0.847
  378    HA   ASP  49           HA       ASP  49  70.616  15.021   1.321
  379    HB2  ASP  49           HB2      ASP  49  69.250  15.359  -0.810
  380    HB3  ASP  49           HB1      ASP  49  68.089  16.227   0.191
  381    H    PHE  50           HN       PHE  50  70.904  15.680   3.371
  382    HA   PHE  50           HA       PHE  50  70.447  16.499   5.479
  383    HB2  PHE  50           HB2      PHE  50  68.635  18.258   3.803
  384    HB3  PHE  50           HB1      PHE  50  69.069  18.575   5.486
  385    HD1  PHE  50           HD1      PHE  50  71.558  18.791   6.076
  386    HD2  PHE  50           HD2      PHE  50  70.074  18.885   2.050
  387    HE1  PHE  50           HE1      PHE  50  73.675  19.844   5.320
  388    HE2  PHE  50           HE2      PHE  50  72.188  19.931   1.291
  389    HZ   PHE  50           HZ       PHE  50  73.989  20.413   2.925
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1  -5.313  -9.557  10.373
    2    H2   MET   1           HT2      MET   1  -4.308 -10.871   9.981
    3    H3   MET   1           HT3      MET   1  -3.927  -9.312   9.424
    4    HA   MET   1           HA       MET   1  -4.140  -9.101  12.175
    5    HB2  MET   1           HB2      MET   1  -2.570 -11.527  11.253
    6    HB3  MET   1           HB1      MET   1  -2.379 -10.777  12.839
    7    HG2  MET   1           HG2      MET   1  -4.788 -11.141  13.288
    8    HG3  MET   1           HG1      MET   1  -4.951 -11.935  11.722
    9    HE1  MET   1           HE1      MET   1  -4.029 -13.945  10.986
   10    HE2  MET   1           HE2      MET   1  -3.273 -15.224  11.928
   11    HE3  MET   1           HE3      MET   1  -2.317 -13.839  11.415
   12    H    ALA   2           HN       ALA   2  -3.249  -7.122  11.815
   13    HA   ALA   2           HA       ALA   2  -1.114  -6.563  10.057
   14    HB1  ALA   2           HB1      ALA   2  -2.456  -5.127  12.300
   15    HB2  ALA   2           HB2      ALA   2  -2.220  -4.631  10.625
   16    HB3  ALA   2           HB3      ALA   2  -0.883  -4.529  11.769
   17    H    GLU   3           HN       GLU   3  -1.206  -7.465  13.468
   18    HA   GLU   3           HA       GLU   3   1.529  -6.967  14.034
   19    HB2  GLU   3           HB2      GLU   3  -0.465  -8.858  15.304
   20    HB3  GLU   3           HB1      GLU   3   1.150  -8.552  15.942
   21    HG2  GLU   3           HG2      GLU   3   0.644  -6.171  16.179
   22    HG3  GLU   3           HG1      GLU   3  -0.946  -6.419  15.458
   23    H    ALA   4           HN       ALA   4  -0.207  -9.740  12.729
   24    HA   ALA   4           HA       ALA   4   1.900 -11.616  12.895
   25    HB1  ALA   4           HB1      ALA   4  -0.514 -12.138  12.428
   26    HB2  ALA   4           HB2      ALA   4   0.624 -12.933  11.340
   27    HB3  ALA   4           HB3      ALA   4  -0.272 -11.517  10.796
   28    H    HIS   5           HN       HIS   5   1.014  -9.218  10.466
   29    HA   HIS   5           HA       HIS   5   3.167 -10.073   8.687
   30    HB2  HIS   5           HB2      HIS   5   0.767  -9.158   8.064
   31    HB3  HIS   5           HB1      HIS   5   1.561  -7.593   8.237
   32    HD2  HIS   5           HD2      HIS   5   1.498 -10.598   5.763
   33    HE1  HIS   5           HE1      HIS   5   4.364  -7.844   4.334
   34    HE2  HIS   5           HE2      HIS   5   3.059  -9.949   3.770
   35    H    GLN   6           HN       GLN   6   5.150  -9.241   8.726
   36    HA   GLN   6           HA       GLN   6   5.552  -6.515   9.763
   37    HB2  GLN   6           HB2      GLN   6   7.028  -8.988  10.693
   38    HB3  GLN   6           HB1      GLN   6   7.579  -7.341  11.007
   39    HG2  GLN   6           HG2      GLN   6   5.488  -6.843  12.189
   40    HG3  GLN   6           HG1      GLN   6   4.882  -8.459  11.830
   41   HE21  GLN   6          HE21      GLN   6   4.845  -8.228  14.422
   42   HE22  GLN   6          HE22      GLN   6   6.220  -8.848  15.204
   43    H    ALA   7           HN       ALA   7   7.540  -5.533   9.066
   44    HA   ALA   7           HA       ALA   7   8.192  -6.110   6.367
   45    HB1  ALA   7           HB1      ALA   7   8.409  -3.854   7.105
   46    HB2  ALA   7           HB2      ALA   7  10.051  -4.423   6.791
   47    HB3  ALA   7           HB3      ALA   7   9.453  -4.323   8.448
   48    H    VAL   8           HN       VAL   8   9.921  -7.127   5.454
   49    HA   VAL   8           HA       VAL   8  11.164  -9.223   6.875
   50    HB   VAL   8           HB       VAL   8  10.812  -9.283   4.445
   51   HG11  VAL   8          HG11      VAL   8  11.948  -7.848   2.948
   52   HG12  VAL   8          HG12      VAL   8  13.091  -7.321   4.185
   53   HG13  VAL   8          HG13      VAL   8  11.414  -6.774   4.243
   54   HG21  VAL   8          HG21      VAL   8  13.795  -9.277   4.802
   55   HG22  VAL   8          HG22      VAL   8  12.776 -10.452   3.967
   56   HG23  VAL   8          HG23      VAL   8  12.821 -10.417   5.730
   57    H    GLY   9           HN       GLY   9  12.365  -6.033   5.855
   58    HA2  GLY   9           HA2      GLY   9  14.815  -6.499   7.444
   59    HA3  GLY   9           HA1      GLY   9  14.660  -5.323   6.144
   60    H    PHE  10           HN       PHE  10  15.188  -5.345   9.249
   61    HA   PHE  10           HA       PHE  10  13.164  -3.787  10.455
   62    HB2  PHE  10           HB2      PHE  10  16.120  -4.019  11.055
   63    HB3  PHE  10           HB1      PHE  10  14.983  -3.128  12.067
   64    HD1  PHE  10           HD2      PHE  10  13.119  -4.316  13.211
   65    HD2  PHE  10           HD1      PHE  10  16.158  -6.427  11.032
   66    HE1  PHE  10           HE2      PHE  10  12.447  -6.428  14.321
   67    HE2  PHE  10           HE1      PHE  10  15.486  -8.542  12.139
   68    HZ   PHE  10           HZ       PHE  10  13.630  -8.546  13.785
   69    H    ARG  11           HN       ARG  11  16.123  -2.906   8.723
   70    HA   ARG  11           HA       ARG  11  15.018  -0.206   8.310
   71    HB2  ARG  11           HB2      ARG  11  16.691  -0.236  10.214
   72    HB3  ARG  11           HB1      ARG  11  17.911  -0.685   9.020
   73    HG2  ARG  11           HG2      ARG  11  17.333   1.346   7.703
   74    HG3  ARG  11           HG1      ARG  11  16.188   1.810   8.963
   75    HD2  ARG  11           HD2      ARG  11  17.946   2.035  10.588
   76    HD3  ARG  11           HD1      ARG  11  19.123   1.304   9.500
   77    HE   ARG  11           HE       ARG  11  19.401   3.387   8.532
   78   HH11  ARG  11          HH21      ARG  11  16.373   3.222  10.200
   79   HH12  ARG  11          HH22      ARG  11  15.975   4.887   9.932
   80   HH21  ARG  11          HH11      ARG  11  18.897   5.577   8.191
   81   HH22  ARG  11          HH12      ARG  11  17.409   6.222   8.803
   82    HA   PRO  12           HA       PRO  12  16.374  -2.314   4.366
   83    HB2  PRO  12           HB2      PRO  12  14.331  -0.366   3.400
   84    HB3  PRO  12           HB1      PRO  12  14.554  -2.074   2.978
   85    HG2  PRO  12           HG2      PRO  12  12.582  -1.287   4.578
   86    HG3  PRO  12           HG1      PRO  12  13.431  -2.820   4.837
   87    HD2  PRO  12           HD2      PRO  12  13.667  -0.256   6.361
   88    HD3  PRO  12           HD1      PRO  12  13.822  -1.931   6.938
   89    H    SER  13           HN       SER  13  15.763   1.100   5.079
   90    HA   SER  13           HA       SER  13  16.650   3.030   4.103
   91    HB2  SER  13           HB2      SER  13  18.735   1.430   5.465
   92    HB3  SER  13           HB1      SER  13  19.318   2.743   4.450
   93    HG   SER  13           HG       SER  13  18.728   3.217   6.736
   94    H    LEU  14           HN       LEU  14  19.473   1.119   3.267
   95    HA   LEU  14           HA       LEU  14  18.982   1.747   0.421
   96    HB2  LEU  14           HB2      LEU  14  20.980   2.822   1.491
   97    HB3  LEU  14           HB1      LEU  14  21.629   1.211   1.788
   98    HG   LEU  14           HG       LEU  14  21.551   0.750  -0.650
   99   HD11  LEU  14          HD11      LEU  14  19.963   2.070  -1.676
  100   HD12  LEU  14          HD12      LEU  14  21.384   3.068  -1.986
  101   HD13  LEU  14          HD13      LEU  14  20.304   3.464  -0.650
  102   HD21  LEU  14          HD21      LEU  14  23.148   3.017  -1.025
  103   HD22  LEU  14          HD22      LEU  14  23.693   1.442  -0.451
  104   HD23  LEU  14          HD23      LEU  14  23.237   2.696   0.705
  105    H    THR  15           HN       THR  15  18.631   0.080  -0.905
  106    HA   THR  15           HA       THR  15  19.237  -2.638   0.067
  107    HB   THR  15           HB       THR  15  17.614  -3.413  -1.561
  108    HG1  THR  15           HG1      THR  15  17.706  -2.132  -3.272
  109   HG21  THR  15          HG21      THR  15  15.627  -2.439  -0.621
  110   HG22  THR  15          HG22      THR  15  16.482  -0.955  -0.206
  111   HG23  THR  15          HG23      THR  15  16.847  -2.451   0.652
  112    H    SER  16           HN       SER  16  20.627  -0.310  -1.818
  113    HA   SER  16           HA       SER  16  21.434  -1.831  -4.101
  114    HB2  SER  16           HB2      SER  16  22.405   0.735  -2.852
  115    HB3  SER  16           HB1      SER  16  23.245   0.006  -4.219
  116    HG   SER  16           HG       SER  16  21.444   1.591  -4.605
  117    H    ASP  17           HN       ASP  17  23.401  -2.848  -4.517
  118    HA   ASP  17           HA       ASP  17  24.608  -4.180  -2.309
  119    HB2  ASP  17           HB2      ASP  17  25.323  -4.004  -5.236
  120    HB3  ASP  17           HB1      ASP  17  26.231  -4.983  -4.085
  121    H    GLY  18           HN       GLY  18  25.183  -1.176  -3.855
  122    HA2  GLY  18           HA2      GLY  18  27.970  -0.902  -3.343
  123    HA3  GLY  18           HA1      GLY  18  26.843   0.412  -3.662
  124    H    ALA  19           HN       ALA  19  28.918   0.650  -1.806
  125    HA   ALA  19           HA       ALA  19  27.373   1.186   0.614
  126    HB1  ALA  19           HB1      ALA  19  29.966  -0.030   1.242
  127    HB2  ALA  19           HB2      ALA  19  28.824  -1.149   0.497
  128    HB3  ALA  19           HB3      ALA  19  28.386  -0.300   1.977
  129    H    GLU  20           HN       GLU  20  28.354   2.739   1.979
  130    HA   GLU  20           HA       GLU  20  29.868   4.718   0.634
  131    HB2  GLU  20           HB2      GLU  20  29.188   4.341   3.553
  132    HB3  GLU  20           HB1      GLU  20  30.028   5.760   2.930
  133    HG2  GLU  20           HG2      GLU  20  28.142   6.250   1.445
  134    HG3  GLU  20           HG1      GLU  20  27.313   4.790   1.984
  135    H    VAL  21           HN       VAL  21  31.993   5.283   0.746
  136    HA   VAL  21           HA       VAL  21  33.914   3.252   1.128
  137    HB   VAL  21           HB       VAL  21  35.569   5.033   0.777
  138   HG11  VAL  21          HG11      VAL  21  34.811   5.729  -1.421
  139   HG12  VAL  21          HG12      VAL  21  33.126   5.471  -0.967
  140   HG13  VAL  21          HG13      VAL  21  34.215   4.094  -1.133
  141   HG21  VAL  21          HG21      VAL  21  33.271   6.690   1.647
  142   HG22  VAL  21          HG22      VAL  21  34.193   7.338   0.291
  143   HG23  VAL  21          HG23      VAL  21  35.001   6.986   1.817
  144    H    GLU  22           HN       GLU  22  32.545   5.573   3.335
  145    HA   GLU  22           HA       GLU  22  34.621   5.706   5.229
  146    HB2  GLU  22           HB2      GLU  22  31.620   5.908   5.559
  147    HB3  GLU  22           HB1      GLU  22  32.777   6.268   6.841
  148    HG2  GLU  22           HG2      GLU  22  33.813   8.004   5.464
  149    HG3  GLU  22           HG1      GLU  22  32.737   7.612   4.124
  150    H    LEU  23           HN       LEU  23  31.971   3.371   4.834
  151    HA   LEU  23           HA       LEU  23  32.445   1.935   7.228
  152    HB2  LEU  23           HB2      LEU  23  31.076   1.297   4.640
  153    HB3  LEU  23           HB1      LEU  23  31.358   0.016   5.817
  154    HG   LEU  23           HG       LEU  23  30.202   1.342   7.544
  155   HD11  LEU  23          HD11      LEU  23  28.820   3.328   6.389
  156   HD12  LEU  23          HD12      LEU  23  30.250   3.368   5.361
  157   HD13  LEU  23          HD13      LEU  23  30.412   3.590   7.100
  158   HD21  LEU  23          HD21      LEU  23  28.421   1.317   5.109
  159   HD22  LEU  23          HD22      LEU  23  28.012   0.914   6.777
  160   HD23  LEU  23          HD23      LEU  23  29.002  -0.189   5.821
  161    H    SER  24           HN       SER  24  33.733   1.563   3.943
  162    HA   SER  24           HA       SER  24  35.163  -0.829   4.431
  163    HB2  SER  24           HB2      SER  24  35.987   1.289   2.455
  164    HB3  SER  24           HB1      SER  24  36.199  -0.458   2.342
  165    HG   SER  24           HG       SER  24  33.600   0.467   2.666
  166    H    ALA  25           HN       ALA  25  36.526  -0.915   6.143
  167    HA   ALA  25           HA       ALA  25  38.254   1.266   6.873
  168    HB1  ALA  25           HB1      ALA  25  37.343  -1.054   8.127
  169    HB2  ALA  25           HB2      ALA  25  38.496   0.110   8.775
  170    HB3  ALA  25           HB3      ALA  25  39.073  -1.314   7.911
  171    HA   PRO  26           HA       PRO  26  41.443  -1.963   4.912
  172    HB2  PRO  26           HB2      PRO  26  39.674  -2.931   2.718
  173    HB3  PRO  26           HB1      PRO  26  40.850  -3.826   3.700
  174    HG2  PRO  26           HG2      PRO  26  38.249  -4.117   4.091
  175    HG3  PRO  26           HG1      PRO  26  39.382  -4.084   5.456
  176    HD2  PRO  26           HD2      PRO  26  37.547  -1.920   4.475
  177    HD3  PRO  26           HD1      PRO  26  37.957  -2.376   6.143
  178    H    VAL  27           HN       VAL  27  39.135   0.029   3.155
  179    HA   VAL  27           HA       VAL  27  40.713   0.438   0.822
  180    HB   VAL  27           HB       VAL  27  38.534   2.089   2.123
  181   HG11  VAL  27          HG11      VAL  27  40.360   2.664  -0.161
  182   HG12  VAL  27          HG12      VAL  27  39.532   3.783   0.926
  183   HG13  VAL  27          HG13      VAL  27  38.650   3.025  -0.401
  184   HG21  VAL  27          HG21      VAL  27  37.144   1.191   0.411
  185   HG22  VAL  27          HG22      VAL  27  38.088  -0.182   0.993
  186   HG23  VAL  27          HG23      VAL  27  38.531   0.615  -0.514
  187    H    LEU  28           HN       LEU  28  40.371   2.160   3.896
  188    HA   LEU  28           HA       LEU  28  42.175   4.263   3.311
  189    HB2  LEU  28           HB2      LEU  28  41.307   3.021   5.928
  190    HB3  LEU  28           HB1      LEU  28  42.334   4.451   5.829
  191    HG   LEU  28           HG       LEU  28  39.610   4.237   4.506
  192   HD11  LEU  28          HD11      LEU  28  38.871   4.314   6.662
  193   HD12  LEU  28          HD12      LEU  28  39.261   6.029   6.515
  194   HD13  LEU  28          HD13      LEU  28  40.408   4.926   7.275
  195   HD21  LEU  28          HD21      LEU  28  40.475   6.050   3.423
  196   HD22  LEU  28          HD22      LEU  28  41.744   6.292   4.620
  197   HD23  LEU  28          HD23      LEU  28  40.116   6.889   4.930
  198    H    GLN  29           HN       GLN  29  42.600   1.075   4.777
  199    HA   GLN  29           HA       GLN  29  45.339   1.354   5.429
  200    HB2  GLN  29           HB2      GLN  29  43.665  -1.093   4.835
  201    HB3  GLN  29           HB1      GLN  29  45.324  -1.160   5.427
  202    HG2  GLN  29           HG2      GLN  29  44.699   0.100   7.422
  203    HG3  GLN  29           HG1      GLN  29  43.041   0.253   6.838
  204   HE21  GLN  29          HE21      GLN  29  42.908  -0.923   9.143
  205   HE22  GLN  29          HE22      GLN  29  42.840  -2.616   9.064
  206    H    GLU  30           HN       GLU  30  43.662   0.140   2.508
  207    HA   GLU  30           HA       GLU  30  46.042  -0.689   1.152
  208    HB2  GLU  30           HB2      GLU  30  43.759  -1.413   0.491
  209    HB3  GLU  30           HB1      GLU  30  43.415   0.227  -0.061
  210    HG2  GLU  30           HG2      GLU  30  45.244   0.083  -1.701
  211    HG3  GLU  30           HG1      GLU  30  45.649  -1.533  -1.129
  212    H    ILE  31           HN       ILE  31  44.221   2.432   1.198
  213    HA   ILE  31           HA       ILE  31  45.858   3.732  -0.777
  214    HB   ILE  31           HB       ILE  31  44.259   4.853   1.541
  215   HG12  ILE  31          HG12      ILE  31  43.646   4.772  -1.430
  216   HG13  ILE  31          HG11      ILE  31  43.080   3.545  -0.307
  217   HG21  ILE  31          HG21      ILE  31  45.681   6.605   1.035
  218   HG22  ILE  31          HG22      ILE  31  44.399   6.890  -0.139
  219   HG23  ILE  31          HG23      ILE  31  45.895   6.093  -0.641
  220   HD11  ILE  31          HD11      ILE  31  42.528   6.495   0.024
  221   HD12  ILE  31          HD12      ILE  31  41.812   5.184   0.955
  222   HD13  ILE  31          HD13      ILE  31  41.398   5.388  -0.754
  223    H    TYR  32           HN       TYR  32  46.064   3.491   2.825
  224    HA   TYR  32           HA       TYR  32  48.291   5.242   3.112
  225    HB2  TYR  32           HB2      TYR  32  47.023   4.560   5.061
  226    HB3  TYR  32           HB1      TYR  32  47.500   2.881   4.814
  227    HD1  TYR  32           HD1      TYR  32  48.848   6.290   5.508
  228    HD2  TYR  32           HD2      TYR  32  49.576   2.054   5.661
  229    HE1  TYR  32           HE1      TYR  32  50.919   6.693   6.818
  230    HE2  TYR  32           HE2      TYR  32  51.640   2.468   6.971
  231    HH   TYR  32           HH       TYR  32  52.551   4.248   8.471
  232    H    LEU  33           HN       LEU  33  48.155   1.704   2.661
  233    HA   LEU  33           HA       LEU  33  50.951   1.271   2.746
  234    HB2  LEU  33           HB2      LEU  33  49.298  -0.546   2.951
  235    HB3  LEU  33           HB1      LEU  33  48.853  -0.342   1.262
  236    HG   LEU  33           HG       LEU  33  51.168  -0.914   0.593
  237   HD11  LEU  33          HD11      LEU  33  52.642  -0.336   2.285
  238   HD12  LEU  33          HD12      LEU  33  52.471  -2.060   2.604
  239   HD13  LEU  33          HD13      LEU  33  51.564  -0.895   3.570
  240   HD21  LEU  33          HD21      LEU  33  49.462  -2.692   0.807
  241   HD22  LEU  33          HD22      LEU  33  49.912  -2.922   2.499
  242   HD23  LEU  33          HD23      LEU  33  51.067  -3.292   1.219
  243    H    SER  34           HN       SER  34  48.746   2.018   0.068
  244    HA   SER  34           HA       SER  34  50.715   1.729  -1.985
  245    HB2  SER  34           HB2      SER  34  49.127   2.930  -3.417
  246    HB3  SER  34           HB1      SER  34  48.311   1.669  -2.498
  247    HG   SER  34           HG       SER  34  47.266   3.752  -2.502
  248    H    GLY  35           HN       GLY  35  49.692   4.418   0.076
  249    HA2  GLY  35           HA2      GLY  35  51.040   6.471  -1.353
  250    HA3  GLY  35           HA1      GLY  35  50.510   6.563   0.327
  251    H    LEU  36           HN       LEU  36  52.009   4.293   1.298
  252    HA   LEU  36           HA       LEU  36  54.441   5.549   1.922
  253    HB2  LEU  36           HB2      LEU  36  53.447   3.847   3.372
  254    HB3  LEU  36           HB1      LEU  36  53.685   2.627   2.131
  255    HG   LEU  36           HG       LEU  36  56.128   2.927   2.279
  256   HD11  LEU  36          HD11      LEU  36  55.295   5.183   4.068
  257   HD12  LEU  36          HD12      LEU  36  56.589   5.121   2.870
  258   HD13  LEU  36          HD13      LEU  36  56.797   4.333   4.434
  259   HD21  LEU  36          HD21      LEU  36  54.674   2.493   4.901
  260   HD22  LEU  36          HD22      LEU  36  56.390   2.150   4.680
  261   HD23  LEU  36          HD23      LEU  36  55.186   1.263   3.747
  262    H    ARG  37           HN       ARG  37  53.659   3.013  -0.466
  263    HA   ARG  37           HA       ARG  37  56.333   2.556  -1.288
  264    HB2  ARG  37           HB2      ARG  37  53.691   2.179  -2.697
  265    HB3  ARG  37           HB1      ARG  37  55.231   1.695  -3.405
  266    HG2  ARG  37           HG2      ARG  37  55.679   0.243  -1.463
  267    HG3  ARG  37           HG1      ARG  37  54.154   0.748  -0.733
  268    HD2  ARG  37           HD2      ARG  37  54.352  -0.580  -3.447
  269    HD3  ARG  37           HD1      ARG  37  54.038  -1.458  -1.952
  270    HE   ARG  37           HE       ARG  37  52.179   0.638  -2.122
  271   HH11  ARG  37          HH21      ARG  37  53.067  -2.261  -3.790
  272   HH12  ARG  37          HH22      ARG  37  51.461  -2.595  -4.346
  273   HH21  ARG  37          HH11      ARG  37  50.067   0.198  -2.843
  274   HH22  ARG  37          HH12      ARG  37  49.764  -1.207  -3.809
  275    H    SER  38           HN       SER  38  53.857   4.835  -2.404
  276    HA   SER  38           HA       SER  38  55.410   5.920  -4.545
  277    HB2  SER  38           HB2      SER  38  53.047   7.139  -3.113
  278    HB3  SER  38           HB1      SER  38  53.665   7.593  -4.701
  279    HG   SER  38           HG       SER  38  52.102   6.176  -5.176
  280    H    TRP  39           HN       TRP  39  54.899   6.723  -1.169
  281    HA   TRP  39           HA       TRP  39  55.986   9.302  -1.118
  282    HB2  TRP  39           HB2      TRP  39  55.823   7.125   0.955
  283    HB3  TRP  39           HB1      TRP  39  56.490   8.712   1.311
  284    HD1  TRP  39           HD1      TRP  39  53.751   9.064  -1.159
  285    HE1  TRP  39           HE1      TRP  39  51.596   9.857  -0.009
  286    HE3  TRP  39           HE3      TRP  39  55.030   8.327   3.734
  287    HZ2  TRP  39           HZ2      TRP  39  50.547  10.160   2.634
  288    HZ3  TRP  39           HZ3      TRP  39  53.432   8.880   5.545
  289    HH2  TRP  39           HH2      TRP  39  51.192   9.794   5.000
  290    H    LYS  40           HN       LYS  40  57.647   6.137  -0.948
  291    HA   LYS  40           HA       LYS  40  60.137   7.118  -0.109
  292    HB2  LYS  40           HB2      LYS  40  59.468   4.789  -1.923
  293    HB3  LYS  40           HB1      LYS  40  61.080   5.109  -1.277
  294    HG2  LYS  40           HG2      LYS  40  60.214   4.975   1.012
  295    HG3  LYS  40           HG1      LYS  40  58.590   4.677   0.393
  296    HD2  LYS  40           HD2      LYS  40  59.384   2.614  -0.711
  297    HD3  LYS  40           HD1      LYS  40  61.008   2.909  -0.092
  298    HE2  LYS  40           HE2      LYS  40  60.159   2.787   2.218
  299    HE3  LYS  40           HE1      LYS  40  58.531   2.501   1.607
  300    HZ1  LYS  40           HZ1      LYS  40  59.944   0.614   0.326
  301    HZ2  LYS  40           HZ2      LYS  40  59.105   0.362   1.779
  302    HZ3  LYS  40           HZ3      LYS  40  60.772   0.687   1.804
  303    H    ARG  41           HN       ARG  41  58.755   6.914  -3.439
  304    HA   ARG  41           HA       ARG  41  61.141   7.789  -4.680
  305    HB2  ARG  41           HB2      ARG  41  58.259   7.936  -5.547
  306    HB3  ARG  41           HB1      ARG  41  59.593   8.485  -6.562
  307    HG2  ARG  41           HG2      ARG  41  60.637   6.226  -6.350
  308    HG3  ARG  41           HG1      ARG  41  59.228   5.693  -5.433
  309    HD2  ARG  41           HD2      ARG  41  59.109   6.810  -8.245
  310    HD3  ARG  41           HD1      ARG  41  59.132   5.092  -7.868
  311    HE   ARG  41           HE       ARG  41  56.894   6.914  -7.527
  312   HH11  ARG  41          HH21      ARG  41  58.402   3.923  -6.669
  313   HH12  ARG  41          HH22      ARG  41  56.920   3.135  -6.240
  314   HH21  ARG  41          HH11      ARG  41  54.939   5.877  -6.988
  315   HH22  ARG  41          HH12      ARG  41  54.961   4.242  -6.421
  316    H    HIS  42           HN       HIS  42  58.419   9.447  -3.340
  317    HA   HIS  42           HA       HIS  42  59.209  12.117  -4.113
  318    HB2  HIS  42           HB2      HIS  42  57.166  11.076  -2.147
  319    HB3  HIS  42           HB1      HIS  42  57.434  12.796  -2.443
  320    HD2  HIS  42           HD2      HIS  42  56.406  13.753  -4.891
  321    HE1  HIS  42           HE1      HIS  42  54.872  10.064  -6.249
  322    HE2  HIS  42           HE2      HIS  42  54.960  12.558  -6.706
  323    H    LEU  43           HN       LEU  43  59.585  10.105  -1.283
  324    HA   LEU  43           HA       LEU  43  60.845  12.184   0.305
  325    HB2  LEU  43           HB2      LEU  43  59.968   9.391   0.858
  326    HB3  LEU  43           HB1      LEU  43  61.235  10.090   1.859
  327    HG   LEU  43           HG       LEU  43  59.797  11.998   2.408
  328   HD11  LEU  43          HD11      LEU  43  57.433  12.027   1.694
  329   HD12  LEU  43          HD12      LEU  43  57.711  10.601   0.707
  330   HD13  LEU  43          HD13      LEU  43  58.508  12.117   0.303
  331   HD21  LEU  43          HD21      LEU  43  59.643  10.037   3.845
  332   HD22  LEU  43          HD22      LEU  43  58.468   9.298   2.755
  333   HD23  LEU  43          HD23      LEU  43  58.036  10.745   3.667
  334    H    SER  44           HN       SER  44  61.926  10.183  -2.124
  335    HA   SER  44           HA       SER  44  64.261   9.049  -1.223
  336    HB2  SER  44           HB2      SER  44  63.863  10.434  -3.883
  337    HB3  SER  44           HB1      SER  44  65.098   9.232  -3.521
  338    HG   SER  44           HG       SER  44  63.428   8.116  -4.402
  339    H    ARG  45           HN       ARG  45  63.852  12.480  -2.263
  340    HA   ARG  45           HA       ARG  45  66.585  13.111  -2.075
  341    HB2  ARG  45           HB2      ARG  45  64.889  14.598  -3.107
  342    HB3  ARG  45           HB1      ARG  45  64.236  14.936  -1.504
  343    HG2  ARG  45           HG2      ARG  45  66.424  15.854  -0.807
  344    HG3  ARG  45           HG1      ARG  45  67.071  15.523  -2.417
  345    HD2  ARG  45           HD2      ARG  45  64.671  17.291  -1.888
  346    HD3  ARG  45           HD1      ARG  45  66.312  17.901  -2.093
  347    HE   ARG  45           HE       ARG  45  65.694  16.269  -4.298
  348   HH11  ARG  45          HH21      ARG  45  64.779  19.256  -2.817
  349   HH12  ARG  45          HH22      ARG  45  64.296  20.005  -4.303
  350   HH21  ARG  45          HH11      ARG  45  65.070  17.244  -6.252
  351   HH22  ARG  45          HH12      ARG  45  64.459  18.864  -6.249
  352    H    PHE  46           HN       PHE  46  64.008  13.428   0.361
  353    HA   PHE  46           HA       PHE  46  65.616  14.404   2.450
  354    HB2  PHE  46           HB2      PHE  46  63.168  14.525   2.479
  355    HB3  PHE  46           HB1      PHE  46  63.075  12.770   2.596
  356    HD1  PHE  46           HD2      PHE  46  64.551  15.748   4.307
  357    HD2  PHE  46           HD1      PHE  46  63.108  11.722   4.706
  358    HE1  PHE  46           HE2      PHE  46  64.799  15.904   6.772
  359    HE2  PHE  46           HE1      PHE  46  63.353  11.881   7.170
  360    HZ   PHE  46           HZ       PHE  46  64.198  13.965   8.201
  361    H    TRP  47           HN       TRP  47  64.654  11.123   1.571
  362    HA   TRP  47           HA       TRP  47  65.817   9.787   3.766
  363    HB2  TRP  47           HB2      TRP  47  64.215   8.605   2.475
  364    HB3  TRP  47           HB1      TRP  47  65.111   8.877   0.979
  365    HD1  TRP  47           HD1      TRP  47  66.730   7.043   0.281
  366    HE1  TRP  47           HE1      TRP  47  67.786   4.990   1.427
  367    HE3  TRP  47           HE3      TRP  47  65.063   7.739   5.059
  368    HZ2  TRP  47           HZ2      TRP  47  67.914   3.802   4.024
  369    HZ3  TRP  47           HZ3      TRP  47  65.667   6.134   6.846
  370    HH2  TRP  47           HH2      TRP  47  67.090   4.170   6.337
  371    H    ASN  48           HN       ASN  48  67.106  10.610   0.571
  372    HA   ASN  48           HA       ASN  48  69.533   9.188   0.782
  373    HB2  ASN  48           HB2      ASN  48  68.684  11.600  -0.812
  374    HB3  ASN  48           HB1      ASN  48  70.326  10.959  -0.905
  375   HD21  ASN  48          HD21      ASN  48  68.572  10.919  -3.175
  376   HD22  ASN  48          HD22      ASN  48  68.195   9.302  -3.526
  377    H    ASP  49           HN       ASP  49  68.617  12.487   1.711
  378    HA   ASP  49           HA       ASP  49  71.298  13.001   2.762
  379    HB2  ASP  49           HB2      ASP  49  70.119  14.782   1.519
  380    HB3  ASP  49           HB1      ASP  49  68.840  14.766   2.733
  381    H    PHE  50           HN       PHE  50  71.736  12.188   4.712
  382    HA   PHE  50           HA       PHE  50  69.601  11.853   6.682
  383    HB2  PHE  50           HB2      PHE  50  72.502  10.995   6.651
  384    HB3  PHE  50           HB1      PHE  50  71.400  10.699   7.995
  385    HD1  PHE  50           HD1      PHE  50  69.377   9.272   7.671
  386    HD2  PHE  50           HD2      PHE  50  72.374   9.707   4.623
  387    HE1  PHE  50           HE1      PHE  50  68.502   7.254   6.521
  388    HE2  PHE  50           HE2      PHE  50  71.495   7.698   3.470
  389    HZ   PHE  50           HZ       PHE  50  69.558   6.469   4.417
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  42.588 -10.308 -14.268
    2    H2   MET   1           HT2      MET   1  43.628  -9.191 -15.015
    3    H3   MET   1           HT3      MET   1  44.264 -10.565 -14.243
    4    HA   MET   1           HA       MET   1  42.565 -10.559 -16.679
    5    HB2  MET   1           HB2      MET   1  45.510 -11.108 -16.214
    6    HB3  MET   1           HB1      MET   1  44.666 -11.478 -17.717
    7    HG2  MET   1           HG2      MET   1  44.021  -9.093 -17.928
    8    HG3  MET   1           HG1      MET   1  44.918  -8.731 -16.455
    9    HE1  MET   1           HE1      MET   1  48.523  -8.976 -17.228
   10    HE2  MET   1           HE2      MET   1  47.698 -10.430 -16.675
   11    HE3  MET   1           HE3      MET   1  47.201  -8.856 -16.059
   12    H    ALA   2           HN       ALA   2  44.807 -12.972 -16.656
   13    HA   ALA   2           HA       ALA   2  42.911 -15.050 -16.369
   14    HB1  ALA   2           HB1      ALA   2  44.862 -16.556 -16.446
   15    HB2  ALA   2           HB2      ALA   2  45.934 -15.173 -16.228
   16    HB3  ALA   2           HB3      ALA   2  44.961 -15.312 -17.692
   17    H    GLU   3           HN       GLU   3  45.262 -13.636 -14.145
   18    HA   GLU   3           HA       GLU   3  44.971 -15.549 -12.072
   19    HB2  GLU   3           HB2      GLU   3  45.849 -12.655 -12.027
   20    HB3  GLU   3           HB1      GLU   3  45.924 -13.726 -10.626
   21    HG2  GLU   3           HG2      GLU   3  47.393 -15.260 -11.836
   22    HG3  GLU   3           HG1      GLU   3  47.267 -14.269 -13.289
   23    H    ALA   4           HN       ALA   4  43.289 -12.540 -12.839
   24    HA   ALA   4           HA       ALA   4  41.760 -12.396 -10.450
   25    HB1  ALA   4           HB1      ALA   4  42.020 -10.434 -11.841
   26    HB2  ALA   4           HB2      ALA   4  40.308 -10.854 -11.778
   27    HB3  ALA   4           HB3      ALA   4  41.263 -11.253 -13.207
   28    H    HIS   5           HN       HIS   5  39.691 -13.089  -9.987
   29    HA   HIS   5           HA       HIS   5  38.846 -15.537 -11.142
   30    HB2  HIS   5           HB2      HIS   5  37.429 -13.585  -9.317
   31    HB3  HIS   5           HB1      HIS   5  36.798 -15.177  -9.736
   32    HD2  HIS   5           HD2      HIS   5  39.177 -13.629  -7.172
   33    HE1  HIS   5           HE1      HIS   5  40.003 -17.769  -7.169
   34    HE2  HIS   5           HE2      HIS   5  40.405 -15.580  -5.946
   35    H    GLN   6           HN       GLN   6  37.711 -12.198 -11.494
   36    HA   GLN   6           HA       GLN   6  36.132 -11.278 -12.903
   37    HB2  GLN   6           HB2      GLN   6  37.585 -13.203 -14.734
   38    HB3  GLN   6           HB1      GLN   6  36.497 -11.931 -15.295
   39    HG2  GLN   6           HG2      GLN   6  37.890 -10.224 -14.240
   40    HG3  GLN   6           HG1      GLN   6  38.961 -11.468 -13.597
   41   HE21  GLN   6          HE21      GLN   6  40.454  -9.895 -15.041
   42   HE22  GLN   6          HE22      GLN   6  40.692 -10.425 -16.635
   43    H    ALA   7           HN       ALA   7  35.425 -13.283 -15.290
   44    HA   ALA   7           HA       ALA   7  32.810 -13.853 -14.394
   45    HB1  ALA   7           HB1      ALA   7  34.417 -14.763 -16.771
   46    HB2  ALA   7           HB2      ALA   7  33.109 -13.582 -16.719
   47    HB3  ALA   7           HB3      ALA   7  32.758 -15.295 -16.501
   48    H    VAL   8           HN       VAL   8  35.721 -15.897 -14.600
   49    HA   VAL   8           HA       VAL   8  34.210 -18.009 -13.166
   50    HB   VAL   8           HB       VAL   8  36.265 -18.269 -15.358
   51   HG11  VAL   8          HG11      VAL   8  36.981 -19.941 -13.886
   52   HG12  VAL   8          HG12      VAL   8  35.784 -20.801 -14.856
   53   HG13  VAL   8          HG13      VAL   8  35.359 -20.212 -13.250
   54   HG21  VAL   8          HG21      VAL   8  33.604 -19.661 -15.139
   55   HG22  VAL   8          HG22      VAL   8  34.533 -19.265 -16.586
   56   HG23  VAL   8          HG23      VAL   8  33.681 -17.994 -15.709
   57    H    GLY   9           HN       GLY   9  35.037 -18.716 -11.313
   58    HA2  GLY   9           HA2      GLY   9  37.776 -18.968 -10.709
   59    HA3  GLY   9           HA1      GLY   9  37.191 -17.454 -10.028
   60    H    PHE  10           HN       PHE  10  37.910 -18.745  -8.042
   61    HA   PHE  10           HA       PHE  10  35.516 -19.994  -6.890
   62    HB2  PHE  10           HB2      PHE  10  36.828 -21.821  -5.925
   63    HB3  PHE  10           HB1      PHE  10  36.945 -21.847  -7.684
   64    HD1  PHE  10           HD2      PHE  10  39.008 -21.203  -8.828
   65    HD2  PHE  10           HD1      PHE  10  38.732 -21.143  -4.543
   66    HE1  PHE  10           HE2      PHE  10  41.475 -21.017  -8.672
   67    HE2  PHE  10           HE1      PHE  10  41.200 -20.957  -4.386
   68    HZ   PHE  10           HZ       PHE  10  42.571 -20.894  -6.451
   69    H    ARG  11           HN       ARG  11  35.424 -19.884  -4.597
   70    HA   ARG  11           HA       ARG  11  37.483 -18.745  -2.998
   71    HB2  ARG  11           HB2      ARG  11  36.684 -16.772  -4.434
   72    HB3  ARG  11           HB1      ARG  11  35.198 -16.848  -3.488
   73    HG2  ARG  11           HG2      ARG  11  36.500 -16.607  -1.407
   74    HG3  ARG  11           HG1      ARG  11  37.991 -16.535  -2.348
   75    HD2  ARG  11           HD2      ARG  11  36.762 -14.578  -3.606
   76    HD3  ARG  11           HD1      ARG  11  35.783 -14.513  -2.143
   77    HE   ARG  11           HE       ARG  11  38.301 -14.495  -1.153
   78   HH11  ARG  11          HH21      ARG  11  36.713 -12.732  -3.671
   79   HH12  ARG  11          HH22      ARG  11  37.670 -11.303  -3.463
   80   HH21  ARG  11          HH11      ARG  11  39.561 -12.625  -0.876
   81   HH22  ARG  11          HH12      ARG  11  39.282 -11.242  -1.881
   82    HA   PRO  12           HA       PRO  12  34.126 -21.129  -0.811
   83    HB2  PRO  12           HB2      PRO  12  36.464 -21.483   1.011
   84    HB3  PRO  12           HB1      PRO  12  35.295 -22.685   0.428
   85    HG2  PRO  12           HG2      PRO  12  37.771 -22.582  -0.535
   86    HG3  PRO  12           HG1      PRO  12  36.388 -22.978  -1.571
   87    HD2  PRO  12           HD2      PRO  12  37.960 -20.438  -1.419
   88    HD3  PRO  12           HD1      PRO  12  37.161 -21.191  -2.816
   89    H    SER  13           HN       SER  13  36.554 -18.871   0.446
   90    HA   SER  13           HA       SER  13  35.141 -18.219   2.840
   91    HB2  SER  13           HB2      SER  13  37.404 -16.928   1.330
   92    HB3  SER  13           HB1      SER  13  36.695 -16.166   2.751
   93    HG   SER  13           HG       SER  13  37.337 -17.854   3.982
   94    H    LEU  14           HN       LEU  14  33.919 -16.375   3.319
   95    HA   LEU  14           HA       LEU  14  32.534 -15.231   0.997
   96    HB2  LEU  14           HB2      LEU  14  31.869 -15.531   3.907
   97    HB3  LEU  14           HB1      LEU  14  31.022 -14.332   2.935
   98    HG   LEU  14           HG       LEU  14  29.884 -16.591   3.058
   99   HD11  LEU  14          HD11      LEU  14  30.415 -16.505   0.210
  100   HD12  LEU  14          HD12      LEU  14  30.230 -14.873   0.849
  101   HD13  LEU  14          HD13      LEU  14  28.949 -16.061   1.080
  102   HD21  LEU  14          HD21      LEU  14  32.066 -17.516   1.186
  103   HD22  LEU  14          HD22      LEU  14  30.831 -18.483   1.991
  104   HD23  LEU  14          HD23      LEU  14  32.161 -17.796   2.925
  105    H    THR  15           HN       THR  15  32.719 -13.167   0.412
  106    HA   THR  15           HA       THR  15  34.671 -11.489   1.737
  107    HB   THR  15           HB       THR  15  34.309  -9.969  -0.140
  108    HG1  THR  15           HG1      THR  15  32.195 -10.069  -0.574
  109   HG21  THR  15          HG21      THR  15  34.230 -12.454  -1.674
  110   HG22  THR  15          HG22      THR  15  35.306 -12.555  -0.281
  111   HG23  THR  15          HG23      THR  15  35.543 -11.292  -1.488
  112    H    SER  16           HN       SER  16  34.127  -9.126   2.044
  113    HA   SER  16           HA       SER  16  32.921  -7.451   3.051
  114    HB2  SER  16           HB2      SER  16  30.842  -7.189   2.255
  115    HB3  SER  16           HB1      SER  16  31.031  -8.742   1.453
  116    HG   SER  16           HG       SER  16  29.432  -9.284   2.720
  117    H    ASP  17           HN       ASP  17  33.349 -10.473   4.207
  118    HA   ASP  17           HA       ASP  17  31.816 -10.119   6.677
  119    HB2  ASP  17           HB2      ASP  17  33.563 -12.373   5.671
  120    HB3  ASP  17           HB1      ASP  17  32.779 -12.365   7.250
  121    H    GLY  18           HN       GLY  18  34.642  -8.990   5.487
  122    HA2  GLY  18           HA2      GLY  18  36.485  -9.471   7.598
  123    HA3  GLY  18           HA1      GLY  18  36.603  -8.193   6.393
  124    H    ALA  19           HN       ALA  19  37.368  -7.761   9.006
  125    HA   ALA  19           HA       ALA  19  35.337  -6.620  10.637
  126    HB1  ALA  19           HB1      ALA  19  37.629  -7.402  11.391
  127    HB2  ALA  19           HB2      ALA  19  37.118  -5.834  12.017
  128    HB3  ALA  19           HB3      ALA  19  38.274  -5.920  10.687
  129    H    GLU  20           HN       GLU  20  34.817  -4.471  11.015
  130    HA   GLU  20           HA       GLU  20  34.328  -2.307  10.465
  131    HB2  GLU  20           HB2      GLU  20  37.121  -2.459   9.314
  132    HB3  GLU  20           HB1      GLU  20  36.181  -0.973   9.421
  133    HG2  GLU  20           HG2      GLU  20  36.017  -1.207  11.845
  134    HG3  GLU  20           HG1      GLU  20  36.864  -2.751  11.777
  135    H    VAL  21           HN       VAL  21  33.329  -4.305   8.740
  136    HA   VAL  21           HA       VAL  21  33.732  -3.725   5.997
  137    HB   VAL  21           HB       VAL  21  32.661  -5.803   6.820
  138   HG11  VAL  21          HG11      VAL  21  30.523  -5.819   7.806
  139   HG12  VAL  21          HG12      VAL  21  30.156  -4.184   7.256
  140   HG13  VAL  21          HG13      VAL  21  31.304  -4.435   8.571
  141   HG21  VAL  21          HG21      VAL  21  30.937  -5.908   5.095
  142   HG22  VAL  21          HG22      VAL  21  32.295  -4.960   4.488
  143   HG23  VAL  21          HG23      VAL  21  30.832  -4.149   5.049
  144    H    GLU  22           HN       GLU  22  31.641  -2.365   8.464
  145    HA   GLU  22           HA       GLU  22  29.931  -0.882   6.760
  146    HB2  GLU  22           HB2      GLU  22  30.742  -0.470   9.642
  147    HB3  GLU  22           HB1      GLU  22  29.496   0.479   8.829
  148    HG2  GLU  22           HG2      GLU  22  28.209  -1.547   8.366
  149    HG3  GLU  22           HG1      GLU  22  29.475  -2.541   9.087
  150    H    LEU  23           HN       LEU  23  33.069  -0.196   8.209
  151    HA   LEU  23           HA       LEU  23  33.072   2.455   6.921
  152    HB2  LEU  23           HB2      LEU  23  33.573   2.331   9.375
  153    HB3  LEU  23           HB1      LEU  23  34.987   1.354   8.993
  154    HG   LEU  23           HG       LEU  23  35.865   3.201   7.583
  155   HD11  LEU  23          HD11      LEU  23  34.153   4.537   6.829
  156   HD12  LEU  23          HD12      LEU  23  34.609   5.477   8.251
  157   HD13  LEU  23          HD13      LEU  23  33.228   4.382   8.324
  158   HD21  LEU  23          HD21      LEU  23  36.864   3.404   9.638
  159   HD22  LEU  23          HD22      LEU  23  35.325   3.455  10.498
  160   HD23  LEU  23          HD23      LEU  23  35.928   4.897   9.680
  161    H    SER  24           HN       SER  24  34.213   2.751   5.132
  162    HA   SER  24           HA       SER  24  35.519   0.728   3.732
  163    HB2  SER  24           HB2      SER  24  36.328   2.490   2.256
  164    HB3  SER  24           HB1      SER  24  34.659   2.803   2.715
  165    HG   SER  24           HG       SER  24  36.973   4.180   3.317
  166    H    ALA  25           HN       ALA  25  36.653   1.107   6.536
  167    HA   ALA  25           HA       ALA  25  39.153   2.210   6.583
  168    HB1  ALA  25           HB1      ALA  25  37.679   0.364   8.174
  169    HB2  ALA  25           HB2      ALA  25  39.069   1.344   8.639
  170    HB3  ALA  25           HB3      ALA  25  39.311  -0.271   7.972
  171    HA   PRO  26           HA       PRO  26  40.955  -2.078   4.958
  172    HB2  PRO  26           HB2      PRO  26  38.757  -2.642   3.016
  173    HB3  PRO  26           HB1      PRO  26  39.734  -3.773   3.973
  174    HG2  PRO  26           HG2      PRO  26  37.214  -3.234   4.620
  175    HG3  PRO  26           HG1      PRO  26  38.452  -3.493   5.859
  176    HD2  PRO  26           HD2      PRO  26  37.179  -0.940   4.977
  177    HD3  PRO  26           HD1      PRO  26  37.775  -1.405   6.583
  178    H    VAL  27           HN       VAL  27  38.890  -0.039   2.899
  179    HA   VAL  27           HA       VAL  27  40.645  -0.013   0.644
  180    HB   VAL  27           HB       VAL  27  38.465   1.887   1.533
  181   HG11  VAL  27          HG11      VAL  27  40.358   1.930  -0.780
  182   HG12  VAL  27          HG12      VAL  27  39.633   3.273   0.102
  183   HG13  VAL  27          HG13      VAL  27  38.680   2.383  -1.086
  184   HG21  VAL  27          HG21      VAL  27  38.016  -0.579   0.809
  185   HG22  VAL  27          HG22      VAL  27  38.416  -0.012  -0.811
  186   HG23  VAL  27          HG23      VAL  27  37.059   0.699   0.063
  187    H    LEU  28           HN       LEU  28  40.142   2.086   3.434
  188    HA   LEU  28           HA       LEU  28  41.973   4.114   2.727
  189    HB2  LEU  28           HB2      LEU  28  40.999   3.140   5.416
  190    HB3  LEU  28           HB1      LEU  28  42.016   4.567   5.220
  191    HG   LEU  28           HG       LEU  28  39.356   4.175   3.806
  192   HD11  LEU  28          HD11      LEU  28  39.104   6.249   5.649
  193   HD12  LEU  28          HD12      LEU  28  39.983   5.002   6.530
  194   HD13  LEU  28          HD13      LEU  28  38.418   4.632   5.806
  195   HD21  LEU  28          HD21      LEU  28  41.500   6.189   3.692
  196   HD22  LEU  28          HD22      LEU  28  39.909   6.883   3.999
  197   HD23  LEU  28          HD23      LEU  28  40.177   5.893   2.567
  198    H    GLN  29           HN       GLN  29  42.403   1.096   4.556
  199    HA   GLN  29           HA       GLN  29  45.097   1.535   5.307
  200    HB2  GLN  29           HB2      GLN  29  43.571  -1.050   4.866
  201    HB3  GLN  29           HB1      GLN  29  45.176  -0.958   5.593
  202    HG2  GLN  29           HG2      GLN  29  42.713   0.454   6.663
  203    HG3  GLN  29           HG1      GLN  29  43.360  -1.054   7.298
  204   HE21  GLN  29          HE21      GLN  29  43.293   2.118   8.071
  205   HE22  GLN  29          HE22      GLN  29  44.809   2.276   8.817
  206    H    GLU  30           HN       GLU  30  43.646   0.001   2.440
  207    HA   GLU  30           HA       GLU  30  46.122  -0.831   1.301
  208    HB2  GLU  30           HB2      GLU  30  43.446  -0.240   0.041
  209    HB3  GLU  30           HB1      GLU  30  44.819  -0.923  -0.833
  210    HG2  GLU  30           HG2      GLU  30  44.885  -2.831   0.674
  211    HG3  GLU  30           HG1      GLU  30  43.589  -2.148   1.651
  212    H    ILE  31           HN       ILE  31  44.189   2.153   1.008
  213    HA   ILE  31           HA       ILE  31  45.769   3.351  -1.028
  214    HB   ILE  31           HB       ILE  31  44.016   4.578   1.116
  215   HG12  ILE  31          HG12      ILE  31  43.581   4.295  -1.872
  216   HG13  ILE  31          HG11      ILE  31  43.008   3.099  -0.713
  217   HG21  ILE  31          HG21      ILE  31  44.165   6.562  -0.542
  218   HG22  ILE  31          HG22      ILE  31  45.624   5.767  -1.140
  219   HG23  ILE  31          HG23      ILE  31  45.530   6.290   0.543
  220   HD11  ILE  31          HD11      ILE  31  42.290   6.040  -0.705
  221   HD12  ILE  31          HD12      ILE  31  41.711   4.838   0.448
  222   HD13  ILE  31          HD13      ILE  31  41.238   4.733  -1.247
  223    H    TYR  32           HN       TYR  32  45.898   3.467   2.533
  224    HA   TYR  32           HA       TYR  32  48.024   5.316   2.804
  225    HB2  TYR  32           HB2      TYR  32  46.660   4.699   4.715
  226    HB3  TYR  32           HB1      TYR  32  47.237   3.028   4.601
  227    HD1  TYR  32           HD2      TYR  32  48.395   6.555   5.059
  228    HD2  TYR  32           HD1      TYR  32  49.260   2.376   5.592
  229    HE1  TYR  32           HE2      TYR  32  50.386   7.133   6.412
  230    HE2  TYR  32           HE1      TYR  32  51.255   2.967   6.946
  231    HH   TYR  32           HH       TYR  32  51.737   5.400   8.462
  232    H    LEU  33           HN       LEU  33  47.958   1.743   2.604
  233    HA   LEU  33           HA       LEU  33  50.825   1.422   2.838
  234    HB2  LEU  33           HB2      LEU  33  48.728  -0.367   1.571
  235    HB3  LEU  33           HB1      LEU  33  50.427  -0.805   1.711
  236    HG   LEU  33           HG       LEU  33  48.699  -0.013   4.074
  237   HD11  LEU  33          HD11      LEU  33  49.490  -2.722   2.970
  238   HD12  LEU  33          HD12      LEU  33  47.857  -2.068   3.100
  239   HD13  LEU  33          HD13      LEU  33  48.758  -2.478   4.559
  240   HD21  LEU  33          HD21      LEU  33  50.843   0.248   4.915
  241   HD22  LEU  33          HD22      LEU  33  51.566  -0.802   3.698
  242   HD23  LEU  33          HD23      LEU  33  50.729  -1.503   5.079
  243    H    SER  34           HN       SER  34  48.713   1.897   0.049
  244    HA   SER  34           HA       SER  34  50.709   1.513  -1.942
  245    HB2  SER  34           HB2      SER  34  48.097   2.987  -1.939
  246    HB3  SER  34           HB1      SER  34  49.089   2.788  -3.383
  247    HG   SER  34           HG       SER  34  47.380   1.139  -2.852
  248    H    GLY  35           HN       GLY  35  49.520   4.319  -0.180
  249    HA2  GLY  35           HA2      GLY  35  50.896   6.304  -1.640
  250    HA3  GLY  35           HA1      GLY  35  50.290   6.469   0.009
  251    H    LEU  36           HN       LEU  36  51.815   4.333   1.175
  252    HA   LEU  36           HA       LEU  36  54.179   5.710   1.841
  253    HB2  LEU  36           HB2      LEU  36  53.159   4.029   3.323
  254    HB3  LEU  36           HB1      LEU  36  53.520   2.763   2.153
  255    HG   LEU  36           HG       LEU  36  55.930   3.163   2.424
  256   HD11  LEU  36          HD11      LEU  36  56.254   5.414   2.907
  257   HD12  LEU  36          HD12      LEU  36  56.463   4.698   4.505
  258   HD13  LEU  36          HD13      LEU  36  54.933   5.462   4.074
  259   HD21  LEU  36          HD21      LEU  36  54.647   2.995   5.162
  260   HD22  LEU  36          HD22      LEU  36  56.171   2.275   4.641
  261   HD23  LEU  36          HD23      LEU  36  54.645   1.657   4.013
  262    H    ARG  37           HN       ARG  37  53.580   3.009  -0.413
  263    HA   ARG  37           HA       ARG  37  56.285   2.577  -1.114
  264    HB2  ARG  37           HB2      ARG  37  53.710   2.072  -2.610
  265    HB3  ARG  37           HB1      ARG  37  55.292   1.582  -3.216
  266    HG2  ARG  37           HG2      ARG  37  55.673   0.239  -1.197
  267    HG3  ARG  37           HG1      ARG  37  54.112   0.749  -0.550
  268    HD2  ARG  37           HD2      ARG  37  52.971  -0.297  -2.471
  269    HD3  ARG  37           HD1      ARG  37  54.526  -0.800  -3.127
  270    HE   ARG  37           HE       ARG  37  54.100  -1.735  -0.438
  271   HH11  ARG  37          HH21      ARG  37  53.445  -2.261  -3.794
  272   HH12  ARG  37          HH22      ARG  37  53.200  -3.967  -3.621
  273   HH21  ARG  37          HH11      ARG  37  53.785  -3.970  -0.201
  274   HH22  ARG  37          HH12      ARG  37  53.392  -4.936  -1.585
  275    H    SER  38           HN       SER  38  53.798   4.721  -2.433
  276    HA   SER  38           HA       SER  38  55.385   5.724  -4.598
  277    HB2  SER  38           HB2      SER  38  52.927   5.810  -4.614
  278    HB3  SER  38           HB1      SER  38  52.953   6.905  -3.237
  279    HG   SER  38           HG       SER  38  52.822   8.120  -5.103
  280    H    TRP  39           HN       TRP  39  54.767   6.713  -1.267
  281    HA   TRP  39           HA       TRP  39  55.861   9.289  -1.328
  282    HB2  TRP  39           HB2      TRP  39  55.637   7.251   0.880
  283    HB3  TRP  39           HB1      TRP  39  56.289   8.863   1.144
  284    HD1  TRP  39           HD1      TRP  39  53.614   8.949  -1.430
  285    HE1  TRP  39           HE1      TRP  39  51.437   9.868  -0.418
  286    HE3  TRP  39           HE3      TRP  39  54.790   8.753   3.540
  287    HZ2  TRP  39           HZ2      TRP  39  50.331  10.449   2.148
  288    HZ3  TRP  39           HZ3      TRP  39  53.151   9.494   5.244
  289    HH2  TRP  39           HH2      TRP  39  50.924  10.341   4.555
  290    H    LYS  40           HN       LYS  40  57.486   6.152  -1.050
  291    HA   LYS  40           HA       LYS  40  59.955   7.063  -0.107
  292    HB2  LYS  40           HB2      LYS  40  59.296   4.787  -1.977
  293    HB3  LYS  40           HB1      LYS  40  60.893   5.050  -1.281
  294    HG2  LYS  40           HG2      LYS  40  59.945   4.890   0.984
  295    HG3  LYS  40           HG1      LYS  40  58.337   4.643   0.299
  296    HD2  LYS  40           HD2      LYS  40  59.124   2.590  -0.818
  297    HD3  LYS  40           HD1      LYS  40  60.732   2.833  -0.135
  298    HE2  LYS  40           HE2      LYS  40  59.794   2.677   2.142
  299    HE3  LYS  40           HE1      LYS  40  58.183   2.439   1.464
  300    HZ1  LYS  40           HZ1      LYS  40  58.975   0.304   1.909
  301    HZ2  LYS  40           HZ2      LYS  40  60.526   0.642   1.305
  302    HZ3  LYS  40           HZ3      LYS  40  59.211   0.491   0.240
  303    H    ARG  41           HN       ARG  41  58.699   6.959  -3.489
  304    HA   ARG  41           HA       ARG  41  61.136   7.723  -4.682
  305    HB2  ARG  41           HB2      ARG  41  59.161   6.901  -5.942
  306    HB3  ARG  41           HB1      ARG  41  58.326   8.413  -5.583
  307    HG2  ARG  41           HG2      ARG  41  60.079   9.679  -6.758
  308    HG3  ARG  41           HG1      ARG  41  60.947   8.181  -7.092
  309    HD2  ARG  41           HD2      ARG  41  59.649   8.790  -9.055
  310    HD3  ARG  41           HD1      ARG  41  58.948   7.347  -8.331
  311    HE   ARG  41           HE       ARG  41  57.679   9.656  -7.279
  312   HH11  ARG  41          HH21      ARG  41  57.981   7.752 -10.154
  313   HH12  ARG  41          HH22      ARG  41  56.400   8.144 -10.745
  314   HH21  ARG  41          HH11      ARG  41  55.609  10.177  -8.048
  315   HH22  ARG  41          HH12      ARG  41  55.056   9.518  -9.551
  316    H    HIS  42           HN       HIS  42  58.456   9.535  -3.443
  317    HA   HIS  42           HA       HIS  42  59.461  12.172  -3.985
  318    HB2  HIS  42           HB2      HIS  42  57.276  11.202  -2.136
  319    HB3  HIS  42           HB1      HIS  42  57.620  12.901  -2.460
  320    HD2  HIS  42           HD2      HIS  42  55.601  10.039  -4.017
  321    HE1  HIS  42           HE1      HIS  42  55.953  12.993  -7.012
  322    HE2  HIS  42           HE2      HIS  42  54.766  10.846  -6.356
  323    H    LEU  43           HN       LEU  43  59.632   9.972  -1.291
  324    HA   LEU  43           HA       LEU  43  60.771  11.875   0.566
  325    HB2  LEU  43           HB2      LEU  43  59.274   9.815   1.123
  326    HB3  LEU  43           HB1      LEU  43  60.769   8.903   0.966
  327    HG   LEU  43           HG       LEU  43  61.826  10.435   2.648
  328   HD11  LEU  43          HD11      LEU  43  59.239  11.781   2.335
  329   HD12  LEU  43          HD12      LEU  43  60.748  12.392   3.009
  330   HD13  LEU  43          HD13      LEU  43  59.646  11.458   4.019
  331   HD21  LEU  43          HD21      LEU  43  59.337   8.903   3.438
  332   HD22  LEU  43          HD22      LEU  43  60.531   9.497   4.594
  333   HD23  LEU  43          HD23      LEU  43  60.992   8.294   3.388
  334    H    SER  44           HN       SER  44  62.000  10.137  -2.015
  335    HA   SER  44           HA       SER  44  64.374   9.047  -1.089
  336    HB2  SER  44           HB2      SER  44  63.775   8.565  -3.310
  337    HB3  SER  44           HB1      SER  44  63.627  10.269  -3.731
  338    HG   SER  44           HG       SER  44  65.746  10.423  -3.904
  339    H    ARG  45           HN       ARG  45  63.859  12.456  -2.189
  340    HA   ARG  45           HA       ARG  45  66.566  13.179  -1.977
  341    HB2  ARG  45           HB2      ARG  45  64.037  14.800  -1.655
  342    HB3  ARG  45           HB1      ARG  45  65.649  15.522  -1.631
  343    HG2  ARG  45           HG2      ARG  45  66.106  14.608  -3.865
  344    HG3  ARG  45           HG1      ARG  45  64.517  13.841  -3.891
  345    HD2  ARG  45           HD2      ARG  45  63.445  16.056  -3.713
  346    HD3  ARG  45           HD1      ARG  45  65.029  16.823  -3.684
  347    HE   ARG  45           HE       ARG  45  63.721  15.612  -6.006
  348   HH11  ARG  45          HH21      ARG  45  66.569  16.967  -4.564
  349   HH12  ARG  45          HH22      ARG  45  67.310  17.356  -6.079
  350   HH21  ARG  45          HH11      ARG  45  64.698  16.123  -7.989
  351   HH22  ARG  45          HH12      ARG  45  66.256  16.877  -8.013
  352    H    PHE  46           HN       PHE  46  63.958  13.489   0.430
  353    HA   PHE  46           HA       PHE  46  65.603  14.524   2.501
  354    HB2  PHE  46           HB2      PHE  46  62.935  13.105   2.558
  355    HB3  PHE  46           HB1      PHE  46  63.695  13.808   3.985
  356    HD1  PHE  46           HD2      PHE  46  64.067  16.256   4.137
  357    HD2  PHE  46           HD1      PHE  46  61.964  14.489   0.835
  358    HE1  PHE  46           HE2      PHE  46  63.186  18.486   3.505
  359    HE2  PHE  46           HE1      PHE  46  61.083  16.718   0.204
  360    HZ   PHE  46           HZ       PHE  46  61.693  18.717   1.538
  361    H    TRP  47           HN       TRP  47  64.598  11.258   1.627
  362    HA   TRP  47           HA       TRP  47  65.609   9.925   3.898
  363    HB2  TRP  47           HB2      TRP  47  64.025   8.877   2.352
  364    HB3  TRP  47           HB1      TRP  47  65.245   8.898   1.078
  365    HD1  TRP  47           HD1      TRP  47  64.396   7.208   4.395
  366    HE1  TRP  47           HE1      TRP  47  65.825   5.074   4.628
  367    HE3  TRP  47           HE3      TRP  47  67.453   7.748   0.342
  368    HZ2  TRP  47           HZ2      TRP  47  67.981   3.770   3.273
  369    HZ3  TRP  47           HZ3      TRP  47  69.183   6.048  -0.165
  370    HH2  TRP  47           HH2      TRP  47  69.449   4.061   1.294
  371    H    ASN  48           HN       ASN  48  67.088  10.690   0.766
  372    HA   ASN  48           HA       ASN  48  69.497   9.267   1.166
  373    HB2  ASN  48           HB2      ASN  48  68.798  10.078  -1.041
  374    HB3  ASN  48           HB1      ASN  48  68.978  11.745  -0.495
  375   HD21  ASN  48          HD21      ASN  48  70.689  12.147  -2.087
  376   HD22  ASN  48          HD22      ASN  48  72.242  11.492  -1.883
  377    H    ASP  49           HN       ASP  49  68.530  12.590   1.922
  378    HA   ASP  49           HA       ASP  49  71.053  13.525   2.774
  379    HB2  ASP  49           HB2      ASP  49  68.237  14.353   3.475
  380    HB3  ASP  49           HB1      ASP  49  69.657  15.192   4.095
  381    H    PHE  50           HN       PHE  50  68.405  11.939   4.518
  382    HA   PHE  50           HA       PHE  50  69.324  12.177   7.125
  383    HB2  PHE  50           HB2      PHE  50  67.141  11.222   6.593
  384    HB3  PHE  50           HB1      PHE  50  67.913   9.828   5.836
  385    HD1  PHE  50           HD2      PHE  50  67.745  11.698   9.076
  386    HD2  PHE  50           HD1      PHE  50  68.462   7.941   7.121
  387    HE1  PHE  50           HE2      PHE  50  67.892  10.577  11.284
  388    HE2  PHE  50           HE1      PHE  50  68.607   6.820   9.328
  389    HZ   PHE  50           HZ       PHE  50  68.322   8.137  11.409
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1  43.363 -11.215  21.351
    2    H2   MET   1           HT2      MET   1  42.222  -9.961  21.449
    3    H3   MET   1           HT3      MET   1  42.717 -10.772  22.856
    4    HA   MET   1           HA       MET   1  43.961  -8.877  23.022
    5    HB2  MET   1           HB2      MET   1  45.552 -10.845  21.353
    6    HB3  MET   1           HB1      MET   1  46.269  -9.455  22.170
    7    HG2  MET   1           HG2      MET   1  45.489 -10.285  24.337
    8    HG3  MET   1           HG1      MET   1  44.681 -11.638  23.548
    9    HE1  MET   1           HE1      MET   1  47.756  -9.762  24.346
   10    HE2  MET   1           HE2      MET   1  48.435 -10.120  22.761
   11    HE3  MET   1           HE3      MET   1  49.122 -10.875  24.194
   12    H    ALA   2           HN       ALA   2  43.240  -7.054  22.030
   13    HA   ALA   2           HA       ALA   2  43.101  -6.688  19.215
   14    HB1  ALA   2           HB1      ALA   2  42.935  -4.214  19.919
   15    HB2  ALA   2           HB2      ALA   2  42.977  -4.821  21.574
   16    HB3  ALA   2           HB3      ALA   2  41.677  -5.310  20.490
   17    H    GLU   3           HN       GLU   3  44.482  -5.678  17.797
   18    HA   GLU   3           HA       GLU   3  47.263  -5.782  18.356
   19    HB2  GLU   3           HB2      GLU   3  45.714  -4.505  16.093
   20    HB3  GLU   3           HB1      GLU   3  47.473  -4.610  16.141
   21    HG2  GLU   3           HG2      GLU   3  47.359  -7.049  16.258
   22    HG3  GLU   3           HG1      GLU   3  45.598  -6.986  16.310
   23    H    ALA   4           HN       ALA   4  44.928  -3.122  18.187
   24    HA   ALA   4           HA       ALA   4  46.622  -1.499  19.889
   25    HB1  ALA   4           HB1      ALA   4  46.679  -1.161  17.028
   26    HB2  ALA   4           HB2      ALA   4  47.590  -0.295  18.266
   27    HB3  ALA   4           HB3      ALA   4  45.989   0.273  17.789
   28    H    HIS   5           HN       HIS   5  45.518   0.274  20.806
   29    HA   HIS   5           HA       HIS   5  42.726  -0.100  21.162
   30    HB2  HIS   5           HB2      HIS   5  44.608   2.137  21.919
   31    HB3  HIS   5           HB1      HIS   5  42.894   2.152  22.335
   32    HD2  HIS   5           HD2      HIS   5  42.201   0.508  24.493
   33    HE1  HIS   5           HE1      HIS   5  45.988  -1.279  25.029
   34    HE2  HIS   5           HE2      HIS   5  43.653  -1.051  26.002
   35    H    GLN   6           HN       GLN   6  44.640   2.179  19.251
   36    HA   GLN   6           HA       GLN   6  42.493   3.812  18.399
   37    HB2  GLN   6           HB2      GLN   6  45.191   3.242  17.160
   38    HB3  GLN   6           HB1      GLN   6  44.072   4.466  16.558
   39    HG2  GLN   6           HG2      GLN   6  44.112   5.609  18.724
   40    HG3  GLN   6           HG1      GLN   6  45.170   4.362  19.382
   41   HE21  GLN   6          HE21      GLN   6  46.437   6.622  19.669
   42   HE22  GLN   6          HE22      GLN   6  47.528   6.975  18.417
   43    H    ALA   7           HN       ALA   7  43.941   0.878  17.038
   44    HA   ALA   7           HA       ALA   7  42.564   0.904  14.577
   45    HB1  ALA   7           HB1      ALA   7  44.055  -1.100  16.177
   46    HB2  ALA   7           HB2      ALA   7  44.236  -0.643  14.482
   47    HB3  ALA   7           HB3      ALA   7  42.936  -1.732  14.969
   48    H    VAL   8           HN       VAL   8  41.701  -0.463  17.738
   49    HA   VAL   8           HA       VAL   8  38.940  -0.788  16.739
   50    HB   VAL   8           HB       VAL   8  39.789  -3.017  16.749
   51   HG11  VAL   8          HG11      VAL   8  40.839  -2.402  19.529
   52   HG12  VAL   8          HG12      VAL   8  41.822  -2.582  18.074
   53   HG13  VAL   8          HG13      VAL   8  40.939  -3.966  18.718
   54   HG21  VAL   8          HG21      VAL   8  38.242  -4.024  18.183
   55   HG22  VAL   8          HG22      VAL   8  37.595  -2.388  18.064
   56   HG23  VAL   8          HG23      VAL   8  38.536  -2.864  19.478
   57    H    GLY   9           HN       GLY   9  37.366  -0.121  18.103
   58    HA2  GLY   9           HA2      GLY   9  37.631   0.089  20.920
   59    HA3  GLY   9           HA1      GLY   9  37.910   1.660  20.176
   60    H    PHE  10           HN       PHE  10  35.897   1.968  21.635
   61    HA   PHE  10           HA       PHE  10  33.392   0.975  20.640
   62    HB2  PHE  10           HB2      PHE  10  34.132   3.116  22.637
   63    HB3  PHE  10           HB1      PHE  10  32.460   2.744  22.217
   64    HD1  PHE  10           HD2      PHE  10  31.486   0.533  22.729
   65    HD2  PHE  10           HD1      PHE  10  35.477   1.571  23.931
   66    HE1  PHE  10           HE2      PHE  10  31.515  -1.392  24.291
   67    HE2  PHE  10           HE1      PHE  10  35.506  -0.354  25.495
   68    HZ   PHE  10           HZ       PHE  10  33.525  -1.836  25.674
   69    H    ARG  11           HN       ARG  11  31.875   2.004  19.391
   70    HA   ARG  11           HA       ARG  11  32.399   4.710  18.410
   71    HB2  ARG  11           HB2      ARG  11  32.175   2.312  16.579
   72    HB3  ARG  11           HB1      ARG  11  32.186   3.996  16.053
   73    HG2  ARG  11           HG2      ARG  11  34.415   4.202  17.322
   74    HG3  ARG  11           HG1      ARG  11  34.415   2.438  17.368
   75    HD2  ARG  11           HD2      ARG  11  34.900   4.259  15.101
   76    HD3  ARG  11           HD1      ARG  11  35.451   2.605  15.354
   77    HE   ARG  11           HE       ARG  11  32.810   2.271  14.841
   78   HH11  ARG  11          HH21      ARG  11  35.343   4.062  13.308
   79   HH12  ARG  11          HH22      ARG  11  34.673   3.913  11.717
   80   HH21  ARG  11          HH11      ARG  11  31.926   2.072  12.758
   81   HH22  ARG  11          HH12      ARG  11  32.739   2.786  11.406
   82    HA   PRO  12           HA       PRO  12  27.913   3.476  18.973
   83    HB2  PRO  12           HB2      PRO  12  27.226   5.295  20.852
   84    HB3  PRO  12           HB1      PRO  12  28.011   3.755  21.269
   85    HG2  PRO  12           HG2      PRO  12  29.223   6.467  20.960
   86    HG3  PRO  12           HG1      PRO  12  29.472   5.268  22.243
   87    HD2  PRO  12           HD2      PRO  12  31.222   5.569  20.177
   88    HD3  PRO  12           HD1      PRO  12  30.938   3.996  20.957
   89    H    SER  13           HN       SER  13  26.032   4.645  18.310
   90    HA   SER  13           HA       SER  13  26.458   6.471  16.212
   91    HB2  SER  13           HB2      SER  13  24.000   6.724  16.216
   92    HB3  SER  13           HB1      SER  13  24.489   5.033  16.302
   93    HG   SER  13           HG       SER  13  22.823   5.966  17.857
   94    H    LEU  14           HN       LEU  14  25.693   6.969  19.621
   95    HA   LEU  14           HA       LEU  14  24.915   9.670  19.461
   96    HB2  LEU  14           HB2      LEU  14  24.551   8.312  21.470
   97    HB3  LEU  14           HB1      LEU  14  26.289   8.190  21.723
   98    HG   LEU  14           HG       LEU  14  26.439  10.620  22.049
   99   HD11  LEU  14          HD11      LEU  14  23.564  10.474  21.210
  100   HD12  LEU  14          HD12      LEU  14  24.805  11.637  20.744
  101   HD13  LEU  14          HD13      LEU  14  24.059  11.737  22.338
  102   HD21  LEU  14          HD21      LEU  14  25.292   8.790  23.789
  103   HD22  LEU  14          HD22      LEU  14  24.156  10.139  23.820
  104   HD23  LEU  14          HD23      LEU  14  25.852  10.405  24.222
  105    H    THR  15           HN       THR  15  28.119   8.190  19.943
  106    HA   THR  15           HA       THR  15  29.540  10.618  20.262
  107    HB   THR  15           HB       THR  15  30.481   7.941  19.206
  108    HG1  THR  15           HG1      THR  15  31.421   8.347  21.548
  109   HG21  THR  15          HG21      THR  15  31.821  10.541  19.619
  110   HG22  THR  15          HG22      THR  15  32.293   9.179  18.604
  111   HG23  THR  15          HG23      THR  15  32.648   9.155  20.332
  112    H    SER  16           HN       SER  16  28.850   8.615  17.426
  113    HA   SER  16           HA       SER  16  30.204  10.382  15.602
  114    HB2  SER  16           HB2      SER  16  29.366   8.915  13.871
  115    HB3  SER  16           HB1      SER  16  29.935   7.928  15.216
  116    HG   SER  16           HG       SER  16  27.668   7.672  14.159
  117    H    ASP  17           HN       ASP  17  29.075  11.393  13.756
  118    HA   ASP  17           HA       ASP  17  26.721  12.847  14.709
  119    HB2  ASP  17           HB2      ASP  17  27.133  14.274  12.706
  120    HB3  ASP  17           HB1      ASP  17  28.520  14.189  13.791
  121    H    GLY  18           HN       GLY  18  27.202  10.019  13.174
  122    HA2  GLY  18           HA2      GLY  18  25.592   8.651  12.176
  123    HA3  GLY  18           HA1      GLY  18  24.556  10.060  11.967
  124    H    ALA  19           HN       ALA  19  27.705  10.686  10.955
  125    HA   ALA  19           HA       ALA  19  26.952  10.998   8.229
  126    HB1  ALA  19           HB1      ALA  19  29.633  11.040   9.623
  127    HB2  ALA  19           HB2      ALA  19  28.671  12.421   9.096
  128    HB3  ALA  19           HB3      ALA  19  29.434  11.372   7.901
  129    H    GLU  20           HN       GLU  20  27.459   9.783   6.431
  130    HA   GLU  20           HA       GLU  20  28.425   7.034   6.961
  131    HB2  GLU  20           HB2      GLU  20  26.055   7.164   6.244
  132    HB3  GLU  20           HB1      GLU  20  26.563   7.987   4.770
  133    HG2  GLU  20           HG2      GLU  20  27.914   6.038   4.124
  134    HG3  GLU  20           HG1      GLU  20  27.464   5.217   5.618
  135    H    VAL  21           HN       VAL  21  30.137   6.303   5.831
  136    HA   VAL  21           HA       VAL  21  31.133   7.950   3.585
  137    HB   VAL  21           HB       VAL  21  32.560   8.491   5.416
  138   HG11  VAL  21          HG11      VAL  21  31.860   6.641   6.902
  139   HG12  VAL  21          HG12      VAL  21  33.618   6.752   6.811
  140   HG13  VAL  21          HG13      VAL  21  32.764   5.502   5.905
  141   HG21  VAL  21          HG21      VAL  21  33.576   7.678   3.164
  142   HG22  VAL  21          HG22      VAL  21  34.045   6.237   4.068
  143   HG23  VAL  21          HG23      VAL  21  34.652   7.820   4.554
  144    H    GLU  22           HN       GLU  22  31.745   6.868   1.814
  145    HA   GLU  22           HA       GLU  22  31.082   4.125   1.503
  146    HB2  GLU  22           HB2      GLU  22  32.670   6.025  -0.236
  147    HB3  GLU  22           HB1      GLU  22  32.221   4.389  -0.723
  148    HG2  GLU  22           HG2      GLU  22  29.850   4.925  -0.462
  149    HG3  GLU  22           HG1      GLU  22  30.257   6.538   0.123
  150    H    LEU  23           HN       LEU  23  34.094   5.838   2.121
  151    HA   LEU  23           HA       LEU  23  35.812   3.596   1.685
  152    HB2  LEU  23           HB2      LEU  23  36.244   6.153   3.250
  153    HB3  LEU  23           HB1      LEU  23  37.511   5.002   2.832
  154    HG   LEU  23           HG       LEU  23  35.755   6.457   0.827
  155   HD11  LEU  23          HD11      LEU  23  38.396   7.066   2.067
  156   HD12  LEU  23          HD12      LEU  23  37.142   8.165   1.495
  157   HD13  LEU  23          HD13      LEU  23  38.223   7.383   0.342
  158   HD21  LEU  23          HD21      LEU  23  37.925   5.590  -0.550
  159   HD22  LEU  23          HD22      LEU  23  36.434   4.656  -0.421
  160   HD23  LEU  23          HD23      LEU  23  37.793   4.299   0.642
  161    H    SER  24           HN       SER  24  36.815   2.257   3.184
  162    HA   SER  24           HA       SER  24  35.839   2.335   5.958
  163    HB2  SER  24           HB2      SER  24  35.474  -0.134   5.860
  164    HB3  SER  24           HB1      SER  24  34.364   0.775   4.844
  165    HG   SER  24           HG       SER  24  36.512   0.291   3.401
  166    H    ALA  25           HN       ALA  25  37.095   0.717   7.324
  167    HA   ALA  25           HA       ALA  25  39.735   1.385   7.413
  168    HB1  ALA  25           HB1      ALA  25  39.617  -1.243   8.441
  169    HB2  ALA  25           HB2      ALA  25  38.048  -0.496   8.751
  170    HB3  ALA  25           HB3      ALA  25  39.524   0.278   9.328
  171    HA   PRO  26           HA       PRO  26  41.042  -2.769   5.165
  172    HB2  PRO  26           HB2      PRO  26  38.729  -2.957   3.288
  173    HB3  PRO  26           HB1      PRO  26  39.650  -4.252   4.078
  174    HG2  PRO  26           HG2      PRO  26  37.205  -3.606   4.892
  175    HG3  PRO  26           HG1      PRO  26  38.470  -4.080   6.041
  176    HD2  PRO  26           HD2      PRO  26  37.379  -1.356   5.461
  177    HD3  PRO  26           HD1      PRO  26  37.959  -2.036   6.994
  178    H    VAL  27           HN       VAL  27  39.005  -0.428   3.415
  179    HA   VAL  27           HA       VAL  27  40.659  -0.243   1.098
  180    HB   VAL  27           HB       VAL  27  38.604   1.652   2.262
  181   HG11  VAL  27          HG11      VAL  27  38.735   2.377  -0.304
  182   HG12  VAL  27          HG12      VAL  27  40.397   1.814  -0.124
  183   HG13  VAL  27          HG13      VAL  27  39.787   3.106   0.910
  184   HG21  VAL  27          HG21      VAL  27  38.223   0.186  -0.298
  185   HG22  VAL  27          HG22      VAL  27  37.058   0.540   0.978
  186   HG23  VAL  27          HG23      VAL  27  38.195  -0.794   1.168
  187    H    LEU  28           HN       LEU  28  40.390   1.581   4.103
  188    HA   LEU  28           HA       LEU  28  42.236   3.620   3.488
  189    HB2  LEU  28           HB2      LEU  28  41.391   2.424   6.128
  190    HB3  LEU  28           HB1      LEU  28  42.448   3.826   6.006
  191    HG   LEU  28           HG       LEU  28  39.702   3.660   4.727
  192   HD11  LEU  28          HD11      LEU  28  39.330   5.450   6.662
  193   HD12  LEU  28          HD12      LEU  28  40.597   4.507   7.449
  194   HD13  LEU  28          HD13      LEU  28  39.096   3.725   6.952
  195   HD21  LEU  28          HD21      LEU  28  40.701   5.386   3.577
  196   HD22  LEU  28          HD22      LEU  28  41.864   5.718   4.860
  197   HD23  LEU  28          HD23      LEU  28  40.203   6.287   5.007
  198    H    GLN  29           HN       GLN  29  42.702   0.425   4.967
  199    HA   GLN  29           HA       GLN  29  45.438   0.742   5.605
  200    HB2  GLN  29           HB2      GLN  29  44.048  -1.088   6.499
  201    HB3  GLN  29           HB1      GLN  29  43.939  -1.789   4.885
  202    HG2  GLN  29           HG2      GLN  29  46.337  -2.148   4.815
  203    HG3  GLN  29           HG1      GLN  29  46.549  -1.285   6.338
  204   HE21  GLN  29          HE21      GLN  29  47.430  -3.984   6.056
  205   HE22  GLN  29          HE22      GLN  29  46.456  -4.971   7.035
  206    H    GLU  30           HN       GLU  30  43.796  -0.422   2.672
  207    HA   GLU  30           HA       GLU  30  46.172  -1.165   1.282
  208    HB2  GLU  30           HB2      GLU  30  43.426  -0.377   0.268
  209    HB3  GLU  30           HB1      GLU  30  44.711  -1.024  -0.751
  210    HG2  GLU  30           HG2      GLU  30  43.572  -2.440   1.676
  211    HG3  GLU  30           HG1      GLU  30  43.100  -2.781   0.015
  212    H    ILE  31           HN       ILE  31  44.268   1.852   1.442
  213    HA   ILE  31           HA       ILE  31  45.758   3.267  -0.530
  214    HB   ILE  31           HB       ILE  31  44.162   4.241   1.855
  215   HG12  ILE  31          HG12      ILE  31  43.516   4.312  -1.107
  216   HG13  ILE  31          HG11      ILE  31  43.007   3.000  -0.048
  217   HG21  ILE  31          HG21      ILE  31  45.855   5.649  -0.124
  218   HG22  ILE  31          HG22      ILE  31  45.340   6.162   1.482
  219   HG23  ILE  31          HG23      ILE  31  44.245   6.329   0.109
  220   HD11  ILE  31          HD11      ILE  31  42.357   5.921   0.410
  221   HD12  ILE  31          HD12      ILE  31  41.770   4.553   1.356
  222   HD13  ILE  31          HD13      ILE  31  41.255   4.753  -0.320
  223    H    TYR  32           HN       TYR  32  46.081   3.006   3.020
  224    HA   TYR  32           HA       TYR  32  48.230   4.799   3.274
  225    HB2  TYR  32           HB2      TYR  32  47.021   4.002   5.237
  226    HB3  TYR  32           HB1      TYR  32  47.559   2.349   4.932
  227    HD1  TYR  32           HD2      TYR  32  48.802   5.798   5.687
  228    HD2  TYR  32           HD1      TYR  32  49.651   1.584   5.717
  229    HE1  TYR  32           HE2      TYR  32  50.879   6.231   6.979
  230    HE2  TYR  32           HE1      TYR  32  51.718   2.022   7.011
  231    HH   TYR  32           HH       TYR  32  52.343   4.925   8.567
  232    H    LEU  33           HN       LEU  33  48.203   1.261   2.752
  233    HA   LEU  33           HA       LEU  33  50.987   0.865   2.847
  234    HB2  LEU  33           HB2      LEU  33  49.309  -0.933   2.870
  235    HB3  LEU  33           HB1      LEU  33  48.911  -0.588   1.189
  236    HG   LEU  33           HG       LEU  33  51.256  -1.179   0.522
  237   HD11  LEU  33          HD11      LEU  33  52.654  -0.760   2.290
  238   HD12  LEU  33          HD12      LEU  33  52.444  -2.500   2.480
  239   HD13  LEU  33          HD13      LEU  33  51.516  -1.384   3.484
  240   HD21  LEU  33          HD21      LEU  33  51.126  -3.650   1.183
  241   HD22  LEU  33          HD22      LEU  33  49.687  -2.998   0.397
  242   HD23  LEU  33          HD23      LEU  33  49.709  -3.221   2.144
  243    H    SER  34           HN       SER  34  48.714   1.450   0.135
  244    HA   SER  34           HA       SER  34  50.771   1.519  -1.963
  245    HB2  SER  34           HB2      SER  34  48.045   2.828  -1.900
  246    HB3  SER  34           HB1      SER  34  49.069   2.819  -3.333
  247    HG   SER  34           HG       SER  34  48.648   0.747  -3.602
  248    H    GLY  35           HN       GLY  35  49.526   4.051   0.212
  249    HA2  GLY  35           HA2      GLY  35  50.731   6.268  -1.061
  250    HA3  GLY  35           HA1      GLY  35  50.306   6.187   0.646
  251    H    LEU  36           HN       LEU  36  51.979   3.969   1.353
  252    HA   LEU  36           HA       LEU  36  54.390   5.306   1.940
  253    HB2  LEU  36           HB2      LEU  36  53.668   2.372   1.988
  254    HB3  LEU  36           HB1      LEU  36  55.202   2.994   2.589
  255    HG   LEU  36           HG       LEU  36  52.488   3.949   3.555
  256   HD11  LEU  36          HD11      LEU  36  52.410   1.953   4.622
  257   HD12  LEU  36          HD12      LEU  36  53.699   2.597   5.640
  258   HD13  LEU  36          HD13      LEU  36  54.094   1.592   4.246
  259   HD21  LEU  36          HD21      LEU  36  54.383   4.421   5.518
  260   HD22  LEU  36          HD22      LEU  36  53.776   5.626   4.384
  261   HD23  LEU  36          HD23      LEU  36  55.275   4.768   4.038
  262    H    ARG  37           HN       ARG  37  53.545   2.987  -0.601
  263    HA   ARG  37           HA       ARG  37  56.165   2.640  -1.623
  264    HB2  ARG  37           HB2      ARG  37  54.266   1.150  -2.180
  265    HB3  ARG  37           HB1      ARG  37  53.526   2.456  -3.104
  266    HG2  ARG  37           HG2      ARG  37  55.513   2.535  -4.578
  267    HG3  ARG  37           HG1      ARG  37  56.243   1.221  -3.656
  268    HD2  ARG  37           HD2      ARG  37  54.272  -0.206  -4.223
  269    HD3  ARG  37           HD1      ARG  37  53.662   1.097  -5.239
  270    HE   ARG  37           HE       ARG  37  55.357   0.629  -6.799
  271   HH11  ARG  37          HH21      ARG  37  55.721  -1.191  -3.871
  272   HH12  ARG  37          HH22      ARG  37  56.882  -2.286  -4.539
  273   HH21  ARG  37          HH11      ARG  37  56.883  -0.805  -7.672
  274   HH22  ARG  37          HH12      ARG  37  57.541  -2.069  -6.687
  275    H    SER  38           HN       SER  38  53.566   4.930  -2.415
  276    HA   SER  38           HA       SER  38  54.992   6.239  -4.531
  277    HB2  SER  38           HB2      SER  38  53.199   7.934  -4.341
  278    HB3  SER  38           HB1      SER  38  52.553   6.300  -4.442
  279    HG   SER  38           HG       SER  38  53.125   7.373  -1.923
  280    H    TRP  39           HN       TRP  39  54.664   6.718  -1.065
  281    HA   TRP  39           HA       TRP  39  55.690   9.325  -0.872
  282    HB2  TRP  39           HB2      TRP  39  55.692   7.020   1.068
  283    HB3  TRP  39           HB1      TRP  39  56.302   8.615   1.480
  284    HD1  TRP  39           HD1      TRP  39  53.451   8.988  -0.844
  285    HE1  TRP  39           HE1      TRP  39  51.320   9.631   0.445
  286    HE3  TRP  39           HE3      TRP  39  54.970   8.010   3.939
  287    HZ2  TRP  39           HZ2      TRP  39  50.376   9.727   3.142
  288    HZ3  TRP  39           HZ3      TRP  39  53.435   8.390   5.844
  289    HH2  TRP  39           HH2      TRP  39  51.141   9.246   5.454
  290    H    LYS  40           HN       LYS  40  57.365   6.203  -1.096
  291    HA   LYS  40           HA       LYS  40  59.908   7.059  -0.304
  292    HB2  LYS  40           HB2      LYS  40  59.284   4.692  -0.792
  293    HB3  LYS  40           HB1      LYS  40  59.265   5.087  -2.510
  294    HG2  LYS  40           HG2      LYS  40  61.628   5.744  -2.410
  295    HG3  LYS  40           HG1      LYS  40  61.660   5.408  -0.679
  296    HD2  LYS  40           HD2      LYS  40  61.100   3.044  -1.126
  297    HD3  LYS  40           HD1      LYS  40  61.089   3.377  -2.858
  298    HE2  LYS  40           HE2      LYS  40  63.454   4.053  -2.754
  299    HE3  LYS  40           HE1      LYS  40  63.472   3.744  -1.018
  300    HZ1  LYS  40           HZ1      LYS  40  62.850   1.424  -1.515
  301    HZ2  LYS  40           HZ2      LYS  40  64.361   1.856  -2.163
  302    HZ3  LYS  40           HZ3      LYS  40  62.997   1.758  -3.171
  303    H    ARG  41           HN       ARG  41  58.306   7.259  -3.523
  304    HA   ARG  41           HA       ARG  41  60.534   8.301  -4.886
  305    HB2  ARG  41           HB2      ARG  41  58.487   7.449  -5.990
  306    HB3  ARG  41           HB1      ARG  41  57.599   8.849  -5.393
  307    HG2  ARG  41           HG2      ARG  41  59.164  10.342  -6.624
  308    HG3  ARG  41           HG1      ARG  41  59.991   8.919  -7.259
  309    HD2  ARG  41           HD2      ARG  41  57.047   9.512  -7.663
  310    HD3  ARG  41           HD1      ARG  41  58.305   9.868  -8.843
  311    HE   ARG  41           HE       ARG  41  57.233   7.246  -8.187
  312   HH11  ARG  41          HH21      ARG  41  59.795   9.111  -9.579
  313   HH12  ARG  41          HH22      ARG  41  60.367   7.826 -10.590
  314   HH21  ARG  41          HH11      ARG  41  57.978   5.557  -9.509
  315   HH22  ARG  41          HH12      ARG  41  59.338   5.814 -10.550
  316    H    HIS  42           HN       HIS  42  57.932   9.803  -3.158
  317    HA   HIS  42           HA       HIS  42  58.711  12.545  -3.600
  318    HB2  HIS  42           HB2      HIS  42  56.787  11.253  -1.665
  319    HB3  HIS  42           HB1      HIS  42  57.045  12.996  -1.748
  320    HD2  HIS  42           HD2      HIS  42  55.883  14.261  -3.985
  321    HE1  HIS  42           HE1      HIS  42  54.224  10.779  -5.702
  322    HE2  HIS  42           HE2      HIS  42  54.307  13.313  -5.838
  323    H    LEU  43           HN       LEU  43  59.276  10.175  -1.106
  324    HA   LEU  43           HA       LEU  43  60.588  12.021   0.699
  325    HB2  LEU  43           HB2      LEU  43  60.169   9.040   0.835
  326    HB3  LEU  43           HB1      LEU  43  61.030   9.959   2.060
  327    HG   LEU  43           HG       LEU  43  58.177  10.519   1.190
  328   HD11  LEU  43          HD11      LEU  43  58.457   8.316   2.336
  329   HD12  LEU  43          HD12      LEU  43  57.508   9.461   3.285
  330   HD13  LEU  43          HD13      LEU  43  59.192   9.156   3.701
  331   HD21  LEU  43          HD21      LEU  43  58.406  11.634   3.624
  332   HD22  LEU  43          HD22      LEU  43  58.813  12.516   2.155
  333   HD23  LEU  43          HD23      LEU  43  60.089  11.774   3.118
  334    H    SER  44           HN       SER  44  61.556  10.450  -2.081
  335    HA   SER  44           HA       SER  44  63.972   9.274  -1.513
  336    HB2  SER  44           HB2      SER  44  64.647   9.879  -3.813
  337    HB3  SER  44           HB1      SER  44  63.000   9.260  -3.742
  338    HG   SER  44           HG       SER  44  62.686  11.765  -3.363
  339    H    ARG  45           HN       ARG  45  63.428  12.808  -2.004
  340    HA   ARG  45           HA       ARG  45  66.150  13.505  -1.916
  341    HB2  ARG  45           HB2      ARG  45  64.329  15.060  -2.572
  342    HB3  ARG  45           HB1      ARG  45  63.804  15.125  -0.891
  343    HG2  ARG  45           HG2      ARG  45  66.019  16.010  -0.234
  344    HG3  ARG  45           HG1      ARG  45  66.534  15.956  -1.920
  345    HD2  ARG  45           HD2      ARG  45  64.147  17.534  -0.927
  346    HD3  ARG  45           HD1      ARG  45  65.749  18.223  -1.172
  347    HE   ARG  45           HE       ARG  45  64.989  16.929  -3.548
  348   HH11  ARG  45          HH21      ARG  45  64.078  19.600  -1.545
  349   HH12  ARG  45          HH22      ARG  45  63.449  20.545  -2.853
  350   HH21  ARG  45          HH11      ARG  45  64.166  18.162  -5.267
  351   HH22  ARG  45          HH12      ARG  45  63.499  19.730  -4.960
  352    H    PHE  46           HN       PHE  46  63.754  13.443   0.723
  353    HA   PHE  46           HA       PHE  46  65.533  14.085   2.812
  354    HB2  PHE  46           HB2      PHE  46  63.092  14.230   3.047
  355    HB3  PHE  46           HB1      PHE  46  62.971  12.476   2.909
  356    HD1  PHE  46           HD1      PHE  46  64.602  15.168   4.935
  357    HD2  PHE  46           HD2      PHE  46  63.174  11.118   4.816
  358    HE1  PHE  46           HE1      PHE  46  65.037  14.942   7.366
  359    HE2  PHE  46           HE2      PHE  46  63.608  10.893   7.247
  360    HZ   PHE  46           HZ       PHE  46  64.540  12.805   8.523
  361    H    TRP  47           HN       TRP  47  64.432  10.996   1.518
  362    HA   TRP  47           HA       TRP  47  65.739   9.326   3.382
  363    HB2  TRP  47           HB2      TRP  47  63.911   8.589   1.872
  364    HB3  TRP  47           HB1      TRP  47  65.025   8.701   0.509
  365    HD1  TRP  47           HD1      TRP  47  64.382   6.705   3.706
  366    HE1  TRP  47           HE1      TRP  47  65.691   4.487   3.577
  367    HE3  TRP  47           HE3      TRP  47  67.055   7.507  -0.566
  368    HZ2  TRP  47           HZ2      TRP  47  67.617   3.221   1.884
  369    HZ3  TRP  47           HZ3      TRP  47  68.618   5.782  -1.417
  370    HH2  TRP  47           HH2      TRP  47  68.902   3.641  -0.198
  371    H    ASN  48           HN       ASN  48  66.769  10.640   0.254
  372    HA   ASN  48           HA       ASN  48  69.188   9.198   0.030
  373    HB2  ASN  48           HB2      ASN  48  68.241  11.834  -1.083
  374    HB3  ASN  48           HB1      ASN  48  69.863  11.225  -1.408
  375   HD21  ASN  48          HD21      ASN  48  67.920  11.548  -3.501
  376   HD22  ASN  48          HD22      ASN  48  67.514  10.007  -4.085
  377    H    ASP  49           HN       ASP  49  68.394  12.302   1.542
  378    HA   ASP  49           HA       ASP  49  71.029  13.072   2.201
  379    HB2  ASP  49           HB2      ASP  49  69.123  14.625   2.271
  380    HB3  ASP  49           HB1      ASP  49  68.436  13.725   3.622
  381    H    PHE  50           HN       PHE  50  68.604  11.166   3.945
  382    HA   PHE  50           HA       PHE  50  70.745  10.074   5.629
  383    HB2  PHE  50           HB2      PHE  50  69.826  11.905   6.957
  384    HB3  PHE  50           HB1      PHE  50  68.193  11.286   6.716
  385    HD1  PHE  50           HD2      PHE  50  71.549  10.294   8.045
  386    HD2  PHE  50           HD1      PHE  50  67.296   9.707   8.205
  387    HE1  PHE  50           HE2      PHE  50  71.830   8.788   9.995
  388    HE2  PHE  50           HE1      PHE  50  67.578   8.201  10.157
  389    HZ   PHE  50           HZ       PHE  50  69.844   7.742  11.051
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1  51.597 -21.185   5.945
    2    H2   MET   1           HT2      MET   1  52.324 -20.539   4.553
    3    H3   MET   1           HT3      MET   1  52.904 -21.990   5.222
    4    HA   MET   1           HA       MET   1  51.359 -23.228   4.217
    5    HB2  MET   1           HB2      MET   1  49.465 -20.921   4.757
    6    HB3  MET   1           HB1      MET   1  48.988 -22.452   4.019
    7    HG2  MET   1           HG2      MET   1  49.811 -23.655   6.040
    8    HG3  MET   1           HG1      MET   1  50.206 -22.104   6.776
    9    HE1  MET   1           HE1      MET   1  47.695 -20.118   6.133
   10    HE2  MET   1           HE2      MET   1  48.782 -20.401   7.493
   11    HE3  MET   1           HE3      MET   1  47.038 -20.457   7.738
   12    H    ALA   2           HN       ALA   2  51.167 -23.545   2.041
   13    HA   ALA   2           HA       ALA   2  52.173 -21.595   0.253
   14    HB1  ALA   2           HB1      ALA   2  52.446 -23.869  -0.378
   15    HB2  ALA   2           HB2      ALA   2  51.267 -23.208  -1.512
   16    HB3  ALA   2           HB3      ALA   2  50.730 -24.214  -0.165
   17    H    GLU   3           HN       GLU   3  48.901 -22.615   1.131
   18    HA   GLU   3           HA       GLU   3  46.830 -21.761   0.606
   19    HB2  GLU   3           HB2      GLU   3  47.781 -19.896   1.900
   20    HB3  GLU   3           HB1      GLU   3  48.419 -19.195   0.415
   21    HG2  GLU   3           HG2      GLU   3  46.138 -18.989  -0.485
   22    HG3  GLU   3           HG1      GLU   3  45.483 -19.734   0.972
   23    H    ALA   4           HN       ALA   4  46.817 -22.962  -1.404
   24    HA   ALA   4           HA       ALA   4  46.478 -21.173  -3.671
   25    HB1  ALA   4           HB1      ALA   4  48.774 -22.965  -3.409
   26    HB2  ALA   4           HB2      ALA   4  48.520 -21.600  -4.495
   27    HB3  ALA   4           HB3      ALA   4  47.869 -23.186  -4.906
   28    H    HIS   5           HN       HIS   5  45.279 -22.083  -5.383
   29    HA   HIS   5           HA       HIS   5  43.740 -24.497  -4.625
   30    HB2  HIS   5           HB2      HIS   5  42.939 -22.111  -6.319
   31    HB3  HIS   5           HB1      HIS   5  41.942 -23.542  -6.069
   32    HD2  HIS   5           HD2      HIS   5  42.718 -20.214  -4.290
   33    HE1  HIS   5           HE1      HIS   5  40.676 -22.625  -1.488
   34    HE2  HIS   5           HE2      HIS   5  41.505 -20.275  -1.974
   35    H    GLN   6           HN       GLN   6  43.607 -26.180  -6.050
   36    HA   GLN   6           HA       GLN   6  45.520 -26.397  -8.129
   37    HB2  GLN   6           HB2      GLN   6  43.106 -28.080  -7.450
   38    HB3  GLN   6           HB1      GLN   6  44.270 -28.502  -8.705
   39    HG2  GLN   6           HG2      GLN   6  46.079 -28.503  -7.052
   40    HG3  GLN   6           HG1      GLN   6  44.941 -28.024  -5.793
   41   HE21  GLN   6          HE21      GLN   6  46.473 -30.723  -7.015
   42   HE22  GLN   6          HE22      GLN   6  45.339 -31.903  -6.565
   43    H    ALA   7           HN       ALA   7  42.073 -25.636  -8.108
   44    HA   ALA   7           HA       ALA   7  42.299 -24.879 -10.957
   45    HB1  ALA   7           HB1      ALA   7  41.000 -27.015 -10.642
   46    HB2  ALA   7           HB2      ALA   7  40.091 -25.708 -11.405
   47    HB3  ALA   7           HB3      ALA   7  39.830 -26.090  -9.702
   48    H    VAL   8           HN       VAL   8  40.873 -23.189 -11.630
   49    HA   VAL   8           HA       VAL   8  39.772 -21.543  -9.435
   50    HB   VAL   8           HB       VAL   8  40.607 -19.523 -10.615
   51   HG11  VAL   8          HG11      VAL   8  41.887 -20.453  -8.759
   52   HG12  VAL   8          HG12      VAL   8  42.998 -19.867  -9.998
   53   HG13  VAL   8          HG13      VAL   8  42.680 -21.595  -9.846
   54   HG21  VAL   8          HG21      VAL   8  41.543 -19.645 -12.676
   55   HG22  VAL   8          HG22      VAL   8  41.027 -21.328 -12.730
   56   HG23  VAL   8          HG23      VAL   8  42.644 -20.924 -12.166
   57    H    GLY   9           HN       GLY   9  38.192 -19.921 -10.199
   58    HA2  GLY   9           HA2      GLY   9  37.083 -20.019 -12.800
   59    HA3  GLY   9           HA1      GLY   9  36.150 -21.052 -11.724
   60    H    PHE  10           HN       PHE  10  34.384 -19.507 -12.204
   61    HA   PHE  10           HA       PHE  10  34.647 -16.955 -10.749
   62    HB2  PHE  10           HB2      PHE  10  32.706 -17.880 -12.875
   63    HB3  PHE  10           HB1      PHE  10  32.468 -16.404 -11.939
   64    HD1  PHE  10           HD2      PHE  10  34.032 -14.514 -12.147
   65    HD2  PHE  10           HD1      PHE  10  34.471 -18.058 -14.523
   66    HE1  PHE  10           HE2      PHE  10  35.597 -13.304 -13.644
   67    HE2  PHE  10           HE1      PHE  10  36.030 -16.844 -16.031
   68    HZ   PHE  10           HZ       PHE  10  36.589 -14.469 -15.594
   69    H    ARG  11           HN       ARG  11  33.922 -16.969  -8.750
   70    HA   ARG  11           HA       ARG  11  31.309 -17.896  -8.055
   71    HB2  ARG  11           HB2      ARG  11  32.548 -20.062  -8.108
   72    HB3  ARG  11           HB1      ARG  11  33.630 -19.421  -6.869
   73    HG2  ARG  11           HG2      ARG  11  31.798 -19.143  -5.311
   74    HG3  ARG  11           HG1      ARG  11  30.624 -19.572  -6.553
   75    HD2  ARG  11           HD2      ARG  11  32.814 -21.462  -5.686
   76    HD3  ARG  11           HD1      ARG  11  31.238 -21.417  -4.898
   77    HE   ARG  11           HE       ARG  11  30.859 -21.619  -7.687
   78   HH11  ARG  11          HH21      ARG  11  31.989 -23.424  -4.944
   79   HH12  ARG  11          HH22      ARG  11  31.604 -24.966  -5.636
   80   HH21  ARG  11          HH11      ARG  11  30.344 -23.620  -8.588
   81   HH22  ARG  11          HH12      ARG  11  30.680 -25.078  -7.714
   82    HA   PRO  12           HA       PRO  12  33.120 -14.517  -5.436
   83    HB2  PRO  12           HB2      PRO  12  30.272 -13.702  -5.309
   84    HB3  PRO  12           HB1      PRO  12  31.702 -12.743  -5.739
   85    HG2  PRO  12           HG2      PRO  12  29.928 -13.505  -7.586
   86    HG3  PRO  12           HG1      PRO  12  31.662 -13.415  -7.933
   87    HD2  PRO  12           HD2      PRO  12  29.981 -15.845  -7.397
   88    HD3  PRO  12           HD1      PRO  12  31.311 -15.621  -8.558
   89    H    SER  13           HN       SER  13  33.074 -14.316  -3.188
   90    HA   SER  13           HA       SER  13  30.969 -15.578  -1.649
   91    HB2  SER  13           HB2      SER  13  32.600 -17.021  -0.388
   92    HB3  SER  13           HB1      SER  13  32.315 -17.534  -2.050
   93    HG   SER  13           HG       SER  13  34.332 -17.115  -2.491
   94    H    LEU  14           HN       LEU  14  31.315 -15.225   0.721
   95    HA   LEU  14           HA       LEU  14  32.067 -12.546   1.221
   96    HB2  LEU  14           HB2      LEU  14  31.407 -14.894   2.991
   97    HB3  LEU  14           HB1      LEU  14  32.010 -13.398   3.696
   98    HG   LEU  14           HG       LEU  14  29.483 -13.585   3.571
   99   HD11  LEU  14          HD11      LEU  14  29.777 -11.270   1.902
  100   HD12  LEU  14          HD12      LEU  14  31.165 -11.372   2.985
  101   HD13  LEU  14          HD13      LEU  14  29.534 -11.348   3.645
  102   HD21  LEU  14          HD21      LEU  14  29.630 -14.692   1.268
  103   HD22  LEU  14          HD22      LEU  14  29.881 -13.071   0.626
  104   HD23  LEU  14          HD23      LEU  14  28.383 -13.463   1.468
  105    H    THR  15           HN       THR  15  33.684 -15.625   1.740
  106    HA   THR  15           HA       THR  15  35.877 -16.181   2.092
  107    HB   THR  15           HB       THR  15  36.876 -13.475   1.410
  108    HG1  THR  15           HG1      THR  15  34.847 -14.077   0.161
  109   HG21  THR  15          HG21      THR  15  37.439 -16.085   0.028
  110   HG22  THR  15          HG22      THR  15  38.140 -15.759   1.613
  111   HG23  THR  15          HG23      THR  15  38.511 -14.704   0.247
  112    H    SER  16           HN       SER  16  35.476 -12.763   3.079
  113    HA   SER  16           HA       SER  16  37.259 -13.060   5.299
  114    HB2  SER  16           HB2      SER  16  35.369 -10.892   4.417
  115    HB3  SER  16           HB1      SER  16  36.216 -10.798   5.959
  116    HG   SER  16           HG       SER  16  37.607  -9.877   4.575
  117    H    ASP  17           HN       ASP  17  36.759 -13.098   7.499
  118    HA   ASP  17           HA       ASP  17  34.238 -14.435   8.113
  119    HB2  ASP  17           HB2      ASP  17  35.276 -14.771  10.350
  120    HB3  ASP  17           HB1      ASP  17  36.272 -15.398   9.037
  121    H    GLY  18           HN       GLY  18  35.110 -11.348   7.772
  122    HA2  GLY  18           HA2      GLY  18  33.253  -9.776   8.435
  123    HA3  GLY  18           HA1      GLY  18  33.511 -10.383  10.069
  124    H    ALA  19           HN       ALA  19  33.720  -7.741   9.819
  125    HA   ALA  19           HA       ALA  19  36.601  -7.290  10.160
  126    HB1  ALA  19           HB1      ALA  19  34.793  -5.816   8.277
  127    HB2  ALA  19           HB2      ALA  19  36.406  -6.466   7.986
  128    HB3  ALA  19           HB3      ALA  19  36.204  -5.021   8.978
  129    H    GLU  20           HN       GLU  20  37.137  -5.627  11.582
  130    HA   GLU  20           HA       GLU  20  35.258  -5.156  13.658
  131    HB2  GLU  20           HB2      GLU  20  37.711  -5.197  14.014
  132    HB3  GLU  20           HB1      GLU  20  37.851  -3.698  13.094
  133    HG2  GLU  20           HG2      GLU  20  36.400  -2.550  14.729
  134    HG3  GLU  20           HG1      GLU  20  36.229  -4.055  15.632
  135    H    VAL  21           HN       VAL  21  36.395  -3.159  10.931
  136    HA   VAL  21           HA       VAL  21  34.228  -1.224  11.550
  137    HB   VAL  21           HB       VAL  21  37.015  -0.729  10.493
  138   HG11  VAL  21          HG11      VAL  21  36.100   1.710  10.474
  139   HG12  VAL  21          HG12      VAL  21  34.515   0.941  10.389
  140   HG13  VAL  21          HG13      VAL  21  35.704   0.650   9.121
  141   HG21  VAL  21          HG21      VAL  21  37.158   0.791  12.413
  142   HG22  VAL  21          HG22      VAL  21  36.720  -0.827  12.962
  143   HG23  VAL  21          HG23      VAL  21  35.485   0.428  12.847
  144    H    GLU  22           HN       GLU  22  32.789  -0.909   9.995
  145    HA   GLU  22           HA       GLU  22  33.302  -2.097   7.344
  146    HB2  GLU  22           HB2      GLU  22  30.738  -1.350   8.772
  147    HB3  GLU  22           HB1      GLU  22  30.813  -1.959   7.117
  148    HG2  GLU  22           HG2      GLU  22  31.905  -4.015   7.901
  149    HG3  GLU  22           HG1      GLU  22  31.874  -3.418   9.560
  150    H    LEU  23           HN       LEU  23  33.684   0.780   8.769
  151    HA   LEU  23           HA       LEU  23  32.215   2.621   7.224
  152    HB2  LEU  23           HB2      LEU  23  34.856   2.839   8.667
  153    HB3  LEU  23           HB1      LEU  23  34.084   4.217   7.888
  154    HG   LEU  23           HG       LEU  23  32.713   2.478   9.970
  155   HD11  LEU  23          HD11      LEU  23  34.079   3.495  11.446
  156   HD12  LEU  23          HD12      LEU  23  33.168   4.966  11.099
  157   HD13  LEU  23          HD13      LEU  23  34.672   4.634  10.238
  158   HD21  LEU  23          HD21      LEU  23  31.517   4.936  10.030
  159   HD22  LEU  23          HD22      LEU  23  30.923   3.585   9.068
  160   HD23  LEU  23          HD23      LEU  23  31.930   4.822   8.320
  161    H    SER  24           HN       SER  24  35.423   1.207   6.745
  162    HA   SER  24           HA       SER  24  35.553   0.855   4.100
  163    HB2  SER  24           HB2      SER  24  36.755   3.126   3.416
  164    HB3  SER  24           HB1      SER  24  35.012   2.934   3.283
  165    HG   SER  24           HG       SER  24  35.898   3.710   5.767
  166    H    ALA  25           HN       ALA  25  36.804   0.605   6.866
  167    HA   ALA  25           HA       ALA  25  39.434   1.367   6.952
  168    HB1  ALA  25           HB1      ALA  25  39.298   0.182   8.835
  169    HB2  ALA  25           HB2      ALA  25  39.375  -1.302   7.888
  170    HB3  ALA  25           HB3      ALA  25  37.810  -0.586   8.274
  171    HA   PRO  26           HA       PRO  26  40.669  -2.763   4.579
  172    HB2  PRO  26           HB2      PRO  26  38.392  -2.871   2.682
  173    HB3  PRO  26           HB1      PRO  26  39.251  -4.188   3.497
  174    HG2  PRO  26           HG2      PRO  26  36.786  -3.398   4.215
  175    HG3  PRO  26           HG1      PRO  26  37.958  -4.070   5.358
  176    HD2  PRO  26           HD2      PRO  26  37.033  -1.261   5.058
  177    HD3  PRO  26           HD1      PRO  26  37.683  -2.094   6.484
  178    H    VAL  27           HN       VAL  27  38.644  -0.418   2.731
  179    HA   VAL  27           HA       VAL  27  40.527  -0.342   0.568
  180    HB   VAL  27           HB       VAL  27  39.204   1.629  -0.227
  181   HG11  VAL  27          HG11      VAL  27  37.680  -0.873   0.556
  182   HG12  VAL  27          HG12      VAL  27  38.621  -0.642  -0.918
  183   HG13  VAL  27          HG13      VAL  27  37.151   0.296  -0.652
  184   HG21  VAL  27          HG21      VAL  27  37.168   2.234   0.940
  185   HG22  VAL  27          HG22      VAL  27  38.511   2.385   2.072
  186   HG23  VAL  27          HG23      VAL  27  37.440   0.986   2.156
  187    H    LEU  28           HN       LEU  28  39.925   1.623   3.415
  188    HA   LEU  28           HA       LEU  28  41.650   3.761   2.757
  189    HB2  LEU  28           HB2      LEU  28  40.768   2.668   5.438
  190    HB3  LEU  28           HB1      LEU  28  41.735   4.128   5.261
  191    HG   LEU  28           HG       LEU  28  39.064   3.730   3.883
  192   HD11  LEU  28          HD11      LEU  28  38.260   5.356   5.674
  193   HD12  LEU  28          HD12      LEU  28  39.737   4.961   6.550
  194   HD13  LEU  28          HD13      LEU  28  38.556   3.700   6.206
  195   HD21  LEU  28          HD21      LEU  28  41.135   5.795   3.828
  196   HD22  LEU  28          HD22      LEU  28  39.562   6.440   4.290
  197   HD23  LEU  28          HD23      LEU  28  39.745   5.570   2.770
  198    H    GLN  29           HN       GLN  29  42.251   0.692   4.466
  199    HA   GLN  29           HA       GLN  29  44.924   1.232   5.233
  200    HB2  GLN  29           HB2      GLN  29  43.445  -1.353   4.748
  201    HB3  GLN  29           HB1      GLN  29  45.105  -1.307   5.348
  202    HG2  GLN  29           HG2      GLN  29  44.405   0.038   7.259
  203    HG3  GLN  29           HG1      GLN  29  42.762   0.109   6.638
  204   HE21  GLN  29          HE21      GLN  29  42.584  -0.885   9.015
  205   HE22  GLN  29          HE22      GLN  29  42.526  -2.580   9.063
  206    H    GLU  30           HN       GLU  30  43.589  -0.196   2.296
  207    HA   GLU  30           HA       GLU  30  46.086  -0.953   1.175
  208    HB2  GLU  30           HB2      GLU  30  43.420  -0.283  -0.083
  209    HB3  GLU  30           HB1      GLU  30  44.784  -0.955  -0.974
  210    HG2  GLU  30           HG2      GLU  30  43.492  -2.262   1.440
  211    HG3  GLU  30           HG1      GLU  30  43.154  -2.707  -0.228
  212    H    ILE  31           HN       ILE  31  44.131   2.009   1.065
  213    HA   ILE  31           HA       ILE  31  45.692   3.346  -0.880
  214    HB   ILE  31           HB       ILE  31  43.919   4.372   1.340
  215   HG12  ILE  31          HG12      ILE  31  43.510   4.334  -1.669
  216   HG13  ILE  31          HG11      ILE  31  42.926   3.054  -0.605
  217   HG21  ILE  31          HG21      ILE  31  44.092   6.413  -0.427
  218   HG22  ILE  31          HG22      ILE  31  45.717   5.748  -0.574
  219   HG23  ILE  31          HG23      ILE  31  45.123   6.285   0.998
  220   HD11  ILE  31          HD11      ILE  31  42.249   5.956  -0.094
  221   HD12  ILE  31          HD12      ILE  31  41.447   4.517   0.533
  222   HD13  ILE  31          HD13      ILE  31  41.263   4.956  -1.165
  223    H    TYR  32           HN       TYR  32  45.882   3.270   2.686
  224    HA   TYR  32           HA       TYR  32  47.955   5.168   2.918
  225    HB2  TYR  32           HB2      TYR  32  47.028   2.887   4.637
  226    HB3  TYR  32           HB1      TYR  32  48.437   3.840   5.093
  227    HD1  TYR  32           HD2      TYR  32  48.063   6.484   4.850
  228    HD2  TYR  32           HD1      TYR  32  44.954   3.590   5.452
  229    HE1  TYR  32           HE2      TYR  32  46.574   8.272   5.732
  230    HE2  TYR  32           HE1      TYR  32  43.459   5.370   6.324
  231    HH   TYR  32           HH       TYR  32  43.190   7.574   6.594
  232    H    LEU  33           HN       LEU  33  48.067   1.624   2.548
  233    HA   LEU  33           HA       LEU  33  50.878   1.347   2.770
  234    HB2  LEU  33           HB2      LEU  33  49.368  -0.572   2.992
  235    HB3  LEU  33           HB1      LEU  33  48.873  -0.392   1.314
  236    HG   LEU  33           HG       LEU  33  51.140  -0.908   0.549
  237   HD11  LEU  33          HD11      LEU  33  52.702  -1.833   2.456
  238   HD12  LEU  33          HD12      LEU  33  51.732  -0.794   3.503
  239   HD13  LEU  33          HD13      LEU  33  52.638  -0.096   2.161
  240   HD21  LEU  33          HD21      LEU  33  51.236  -3.260   1.375
  241   HD22  LEU  33          HD22      LEU  33  49.599  -2.766   0.939
  242   HD23  LEU  33          HD23      LEU  33  50.078  -2.832   2.634
  243    H    SER  34           HN       SER  34  48.772   1.789  -0.059
  244    HA   SER  34           HA       SER  34  50.876   1.557  -1.962
  245    HB2  SER  34           HB2      SER  34  49.251   2.519  -3.547
  246    HB3  SER  34           HB1      SER  34  48.518   1.253  -2.571
  247    HG   SER  34           HG       SER  34  48.156   3.383  -1.184
  248    H    GLY  35           HN       GLY  35  49.482   4.278  -0.170
  249    HA2  GLY  35           HA2      GLY  35  50.790   6.352  -1.592
  250    HA3  GLY  35           HA1      GLY  35  50.139   6.465   0.041
  251    H    LEU  36           HN       LEU  36  51.734   4.398   1.245
  252    HA   LEU  36           HA       LEU  36  54.020   5.873   1.929
  253    HB2  LEU  36           HB2      LEU  36  53.044   4.199   3.433
  254    HB3  LEU  36           HB1      LEU  36  53.488   2.915   2.310
  255    HG   LEU  36           HG       LEU  36  55.870   3.463   2.611
  256   HD11  LEU  36          HD11      LEU  36  54.686   5.732   4.169
  257   HD12  LEU  36          HD12      LEU  36  56.061   5.729   3.063
  258   HD13  LEU  36          HD13      LEU  36  56.237   5.069   4.689
  259   HD21  LEU  36          HD21      LEU  36  56.027   2.910   5.087
  260   HD22  LEU  36          HD22      LEU  36  55.017   1.814   4.143
  261   HD23  LEU  36          HD23      LEU  36  54.271   3.055   5.149
  262    H    ARG  37           HN       ARG  37  53.594   3.131  -0.310
  263    HA   ARG  37           HA       ARG  37  56.341   2.780  -0.928
  264    HB2  ARG  37           HB2      ARG  37  53.815   2.176  -2.466
  265    HB3  ARG  37           HB1      ARG  37  55.418   1.723  -3.041
  266    HG2  ARG  37           HG2      ARG  37  55.794   0.374  -1.028
  267    HG3  ARG  37           HG1      ARG  37  54.235   0.878  -0.375
  268    HD2  ARG  37           HD2      ARG  37  53.074  -0.209  -2.249
  269    HD3  ARG  37           HD1      ARG  37  54.616  -0.666  -2.963
  270    HE   ARG  37           HE       ARG  37  54.596  -1.717  -0.384
  271   HH11  ARG  37          HH21      ARG  37  52.789  -1.993  -3.342
  272   HH12  ARG  37          HH22      ARG  37  52.264  -3.614  -3.023
  273   HH21  ARG  37          HH11      ARG  37  53.925  -3.820   0.033
  274   HH22  ARG  37          HH12      ARG  37  52.925  -4.664  -1.103
  275    H    SER  38           HN       SER  38  53.820   4.814  -2.411
  276    HA   SER  38           HA       SER  38  55.518   5.774  -4.515
  277    HB2  SER  38           HB2      SER  38  53.710   7.418  -4.873
  278    HB3  SER  38           HB1      SER  38  53.081   5.779  -4.724
  279    HG   SER  38           HG       SER  38  51.883   6.660  -3.225
  280    H    TRP  39           HN       TRP  39  54.725   6.766  -1.248
  281    HA   TRP  39           HA       TRP  39  55.669   9.404  -1.288
  282    HB2  TRP  39           HB2      TRP  39  54.298   8.649   0.548
  283    HB3  TRP  39           HB1      TRP  39  55.460   7.390   0.960
  284    HD1  TRP  39           HD1      TRP  39  57.217   7.967   2.684
  285    HE1  TRP  39           HE1      TRP  39  58.114  10.128   3.765
  286    HE3  TRP  39           HE3      TRP  39  54.649  11.466  -0.045
  287    HZ2  TRP  39           HZ2      TRP  39  57.785  12.954   3.518
  288    HZ3  TRP  39           HZ3      TRP  39  54.968  13.880   0.410
  289    HH2  TRP  39           HH2      TRP  39  56.528  14.626   2.181
  290    H    LYS  40           HN       LYS  40  57.364   6.330  -0.716
  291    HA   LYS  40           HA       LYS  40  59.778   7.360   0.243
  292    HB2  LYS  40           HB2      LYS  40  59.146   4.973   0.270
  293    HB3  LYS  40           HB1      LYS  40  59.364   4.920  -1.478
  294    HG2  LYS  40           HG2      LYS  40  61.731   5.531  -1.213
  295    HG3  LYS  40           HG1      LYS  40  61.528   5.639   0.536
  296    HD2  LYS  40           HD2      LYS  40  60.857   3.228   0.563
  297    HD3  LYS  40           HD1      LYS  40  61.168   3.158  -1.172
  298    HE2  LYS  40           HE2      LYS  40  63.513   3.770  -0.815
  299    HE3  LYS  40           HE1      LYS  40  63.225   3.905   0.921
  300    HZ1  LYS  40           HZ1      LYS  40  64.185   1.756   0.204
  301    HZ2  LYS  40           HZ2      LYS  40  62.743   1.434  -0.635
  302    HZ3  LYS  40           HZ3      LYS  40  62.724   1.613   1.055
  303    H    ARG  41           HN       ARG  41  58.609   6.994  -3.123
  304    HA   ARG  41           HA       ARG  41  61.125   7.475  -4.316
  305    HB2  ARG  41           HB2      ARG  41  58.305   7.954  -5.288
  306    HB3  ARG  41           HB1      ARG  41  59.733   8.214  -6.281
  307    HG2  ARG  41           HG2      ARG  41  60.388   5.853  -5.996
  308    HG3  ARG  41           HG1      ARG  41  58.980   5.589  -4.968
  309    HD2  ARG  41           HD2      ARG  41  57.484   6.184  -6.835
  310    HD3  ARG  41           HD1      ARG  41  58.879   6.466  -7.873
  311    HE   ARG  41           HE       ARG  41  57.836   3.881  -7.008
  312   HH11  ARG  41          HH21      ARG  41  60.410   5.685  -8.487
  313   HH12  ARG  41          HH22      ARG  41  61.082   4.309  -9.294
  314   HH21  ARG  41          HH11      ARG  41  58.732   2.096  -8.055
  315   HH22  ARG  41          HH12      ARG  41  60.141   2.286  -9.043
  316    H    HIS  42           HN       HIS  42  58.575   9.608  -3.160
  317    HA   HIS  42           HA       HIS  42  59.898  12.012  -4.135
  318    HB2  HIS  42           HB2      HIS  42  57.494  11.570  -2.350
  319    HB3  HIS  42           HB1      HIS  42  58.122  13.165  -2.752
  320    HD2  HIS  42           HD2      HIS  42  57.378  14.111  -5.264
  321    HE1  HIS  42           HE1      HIS  42  55.541  10.566  -6.634
  322    HE2  HIS  42           HE2      HIS  42  55.970  13.014  -7.172
  323    H    LEU  43           HN       LEU  43  60.066   9.943  -1.495
  324    HA   LEU  43           HA       LEU  43  61.098  11.826   0.436
  325    HB2  LEU  43           HB2      LEU  43  59.755   9.608   0.868
  326    HB3  LEU  43           HB1      LEU  43  61.340   8.861   0.683
  327    HG   LEU  43           HG       LEU  43  62.234  10.380   2.432
  328   HD11  LEU  43          HD11      LEU  43  59.989  11.194   3.837
  329   HD12  LEU  43          HD12      LEU  43  59.532  11.518   2.164
  330   HD13  LEU  43          HD13      LEU  43  60.995  12.236   2.835
  331   HD21  LEU  43          HD21      LEU  43  61.826   8.520   3.647
  332   HD22  LEU  43          HD22      LEU  43  60.326   8.198   2.777
  333   HD23  LEU  43          HD23      LEU  43  60.326   9.287   4.165
  334    H    SER  44           HN       SER  44  62.362  10.296  -2.268
  335    HA   SER  44           HA       SER  44  64.796   9.275  -1.438
  336    HB2  SER  44           HB2      SER  44  64.163   8.881  -3.673
  337    HB3  SER  44           HB1      SER  44  63.934  10.597  -3.999
  338    HG   SER  44           HG       SER  44  65.950   9.590  -4.763
  339    H    ARG  45           HN       ARG  45  64.101  12.731  -2.287
  340    HA   ARG  45           HA       ARG  45  66.769  13.591  -2.063
  341    HB2  ARG  45           HB2      ARG  45  64.138  15.006  -1.600
  342    HB3  ARG  45           HB1      ARG  45  65.692  15.839  -1.541
  343    HG2  ARG  45           HG2      ARG  45  66.184  15.114  -3.837
  344    HG3  ARG  45           HG1      ARG  45  64.655  14.238  -3.900
  345    HD2  ARG  45           HD2      ARG  45  63.424  16.340  -3.581
  346    HD3  ARG  45           HD1      ARG  45  64.941  17.230  -3.494
  347    HE   ARG  45           HE       ARG  45  64.927  15.804  -5.911
  348   HH11  ARG  45          HH21      ARG  45  63.269  18.371  -4.297
  349   HH12  ARG  45          HH22      ARG  45  62.752  19.137  -5.761
  350   HH21  ARG  45          HH11      ARG  45  64.290  16.808  -7.831
  351   HH22  ARG  45          HH12      ARG  45  63.333  18.251  -7.773
  352    H    PHE  46           HN       PHE  46  64.176  13.638   0.400
  353    HA   PHE  46           HA       PHE  46  65.798  14.589   2.527
  354    HB2  PHE  46           HB2      PHE  46  63.169  13.099   2.489
  355    HB3  PHE  46           HB1      PHE  46  63.909  13.724   3.963
  356    HD1  PHE  46           HD1      PHE  46  64.268  16.188   4.241
  357    HD2  PHE  46           HD2      PHE  46  62.122  14.556   0.902
  358    HE1  PHE  46           HE1      PHE  46  63.329  18.431   3.753
  359    HE2  PHE  46           HE2      PHE  46  61.168  16.794   0.414
  360    HZ   PHE  46           HZ       PHE  46  61.771  18.734   1.846
  361    H    TRP  47           HN       TRP  47  64.889  11.348   1.452
  362    HA   TRP  47           HA       TRP  47  65.946   9.907   3.642
  363    HB2  TRP  47           HB2      TRP  47  64.393   8.894   2.034
  364    HB3  TRP  47           HB1      TRP  47  65.618   9.010   0.769
  365    HD1  TRP  47           HD1      TRP  47  64.834   7.166   4.028
  366    HE1  TRP  47           HE1      TRP  47  66.358   5.091   4.182
  367    HE3  TRP  47           HE3      TRP  47  67.810   7.956  -0.048
  368    HZ2  TRP  47           HZ2      TRP  47  68.534   3.912   2.753
  369    HZ3  TRP  47           HZ3      TRP  47  69.601   6.343  -0.631
  370    HH2  TRP  47           HH2      TRP  47  69.969   4.323   0.761
  371    H    ASN  48           HN       ASN  48  67.412  10.858   0.540
  372    HA   ASN  48           HA       ASN  48  69.859   9.491   0.920
  373    HB2  ASN  48           HB2      ASN  48  69.165  10.363  -1.263
  374    HB3  ASN  48           HB1      ASN  48  69.279  12.011  -0.651
  375   HD21  ASN  48          HD21      ASN  48  70.873  11.332  -2.882
  376   HD22  ASN  48          HD22      ASN  48  72.501  11.236  -2.408
  377    H    ASP  49           HN       ASP  49  68.821  12.769   1.783
  378    HA   ASP  49           HA       ASP  49  71.328  13.685   2.725
  379    HB2  ASP  49           HB2      ASP  49  69.455  15.212   2.274
  380    HB3  ASP  49           HB1      ASP  49  68.541  14.493   3.600
  381    H    PHE  50           HN       PHE  50  68.599  12.081   4.331
  382    HA   PHE  50           HA       PHE  50  69.806  12.116   6.930
  383    HB2  PHE  50           HB2      PHE  50  67.374  11.986   6.663
  384    HB3  PHE  50           HB1      PHE  50  67.539  10.441   5.827
  385    HD1  PHE  50           HD2      PHE  50  68.359  12.149   9.061
  386    HD2  PHE  50           HD1      PHE  50  67.605   8.439   7.032
  387    HE1  PHE  50           HE2      PHE  50  68.353  10.951  11.242
  388    HE2  PHE  50           HE1      PHE  50  67.605   7.240   9.206
  389    HZ   PHE  50           HZ       PHE  50  67.978   8.499  11.308
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1   9.310  -1.650  17.884
    2    H2   MET   1           HT2      MET   1   7.918  -0.951  18.562
    3    H3   MET   1           HT3      MET   1   9.181   0.041  18.001
    4    HA   MET   1           HA       MET   1   8.544  -1.457  15.819
    5    HB2  MET   1           HB2      MET   1   6.061  -0.628  17.354
    6    HB3  MET   1           HB1      MET   1   6.060  -1.093  15.656
    7    HG2  MET   1           HG2      MET   1   6.978  -2.849  17.950
    8    HG3  MET   1           HG1      MET   1   5.429  -2.988  17.133
    9    HE1  MET   1           HE1      MET   1   5.709  -4.538  14.070
   10    HE2  MET   1           HE2      MET   1   6.403  -2.986  13.629
   11    HE3  MET   1           HE3      MET   1   5.121  -3.059  14.834
   12    H    ALA   2           HN       ALA   2  10.090   0.576  15.929
   13    HA   ALA   2           HA       ALA   2   8.938   3.164  15.860
   14    HB1  ALA   2           HB1      ALA   2  11.228   3.185  14.210
   15    HB2  ALA   2           HB2      ALA   2  11.546   2.001  15.481
   16    HB3  ALA   2           HB3      ALA   2  11.123   3.659  15.905
   17    H    GLU   3           HN       GLU   3   8.205   4.409  14.224
   18    HA   GLU   3           HA       GLU   3   6.990   3.159  12.002
   19    HB2  GLU   3           HB2      GLU   3   7.571   6.069  12.606
   20    HB3  GLU   3           HB1      GLU   3   6.598   5.531  11.238
   21    HG2  GLU   3           HG2      GLU   3   5.042   4.402  12.773
   22    HG3  GLU   3           HG1      GLU   3   6.023   4.888  14.149
   23    H    ALA   4           HN       ALA   4   7.606   2.934   9.915
   24    HA   ALA   4           HA       ALA   4  10.352   2.868   9.252
   25    HB1  ALA   4           HB1      ALA   4   9.664   2.024   7.208
   26    HB2  ALA   4           HB2      ALA   4   8.271   3.095   7.113
   27    HB3  ALA   4           HB3      ALA   4   8.233   1.690   8.174
   28    H    HIS   5           HN       HIS   5   7.820   5.258   8.766
   29    HA   HIS   5           HA       HIS   5   9.807   7.091   7.569
   30    HB2  HIS   5           HB2      HIS   5   6.801   6.963   7.262
   31    HB3  HIS   5           HB1      HIS   5   7.788   8.305   6.675
   32    HD2  HIS   5           HD2      HIS   5   9.331   7.727   4.362
   33    HE1  HIS   5           HE1      HIS   5   7.964   3.761   3.877
   34    HE2  HIS   5           HE2      HIS   5   9.318   5.624   2.811
   35    H    GLN   6           HN       GLN   6  10.033   9.142   8.364
   36    HA   GLN   6           HA       GLN   6   8.648   9.734  10.912
   37    HB2  GLN   6           HB2      GLN   6  11.470  10.365  10.029
   38    HB3  GLN   6           HB1      GLN   6  10.715  11.038  11.479
   39    HG2  GLN   6           HG2      GLN   6  10.316   8.803  12.359
   40    HG3  GLN   6           HG1      GLN   6  10.955   8.075  10.884
   41   HE21  GLN   6          HE21      GLN   6  12.312   7.121  12.884
   42   HE22  GLN   6          HE22      GLN   6  13.768   7.931  13.198
   43    H    ALA   7           HN       ALA   7   7.429  11.503  10.934
   44    HA   ALA   7           HA       ALA   7   7.050  13.130   8.658
   45    HB1  ALA   7           HB1      ALA   7   6.179  13.294  11.521
   46    HB2  ALA   7           HB2      ALA   7   5.201  13.042  10.078
   47    HB3  ALA   7           HB3      ALA   7   5.868  14.635  10.418
   48    H    VAL   8           HN       VAL   8   8.949  13.568  11.610
   49    HA   VAL   8           HA       VAL   8  10.050  16.075  10.463
   50    HB   VAL   8           HB       VAL   8   9.580  15.248  13.340
   51   HG11  VAL   8          HG11      VAL   8  10.590  17.486  13.901
   52   HG12  VAL   8          HG12      VAL   8  11.164  17.588  12.237
   53   HG13  VAL   8          HG13      VAL   8  11.755  16.313  13.300
   54   HG21  VAL   8          HG21      VAL   8   7.900  16.483  11.600
   55   HG22  VAL   8          HG22      VAL   8   8.747  17.884  12.264
   56   HG23  VAL   8          HG23      VAL   8   7.885  16.776  13.338
   57    H    GLY   9           HN       GLY   9  12.172  16.087  10.040
   58    HA2  GLY   9           HA2      GLY   9  14.153  14.750  11.559
   59    HA3  GLY   9           HA1      GLY   9  13.758  13.785  10.133
   60    H    PHE  10           HN       PHE  10  16.179  14.376   9.847
   61    HA   PHE  10           HA       PHE  10  16.606  17.054   8.782
   62    HB2  PHE  10           HB2      PHE  10  18.389  16.090  10.114
   63    HB3  PHE  10           HB1      PHE  10  18.472  14.686   9.044
   64    HD1  PHE  10           HD2      PHE  10  18.822  18.416   9.080
   65    HD2  PHE  10           HD1      PHE  10  19.798  14.727   7.114
   66    HE1  PHE  10           HE2      PHE  10  20.392  19.629   7.587
   67    HE2  PHE  10           HE1      PHE  10  21.367  15.934   5.625
   68    HZ   PHE  10           HZ       PHE  10  21.665  18.384   5.861
   69    H    ARG  11           HN       ARG  11  16.386  17.582   6.741
   70    HA   ARG  11           HA       ARG  11  15.228  16.127   4.791
   71    HB2  ARG  11           HB2      ARG  11  16.862  18.540   4.871
   72    HB3  ARG  11           HB1      ARG  11  16.981  17.700   3.329
   73    HG2  ARG  11           HG2      ARG  11  15.111  19.299   3.294
   74    HG3  ARG  11           HG1      ARG  11  14.513  17.646   3.172
   75    HD2  ARG  11           HD2      ARG  11  13.472  17.737   5.191
   76    HD3  ARG  11           HD1      ARG  11  14.792  18.630   5.935
   77    HE   ARG  11           HE       ARG  11  13.266  20.217   4.069
   78   HH11  ARG  11          HH21      ARG  11  13.472  18.977   7.293
   79   HH12  ARG  11          HH22      ARG  11  12.544  20.260   7.994
   80   HH21  ARG  11          HH11      ARG  11  12.033  21.892   4.971
   81   HH22  ARG  11          HH12      ARG  11  11.725  21.916   6.678
   82    HA   PRO  12           HA       PRO  12  17.968  13.086   3.095
   83    HB2  PRO  12           HB2      PRO  12  17.851  14.222   0.372
   84    HB3  PRO  12           HB1      PRO  12  17.304  12.639   0.954
   85    HG2  PRO  12           HG2      PRO  12  15.621  14.613   0.242
   86    HG3  PRO  12           HG1      PRO  12  15.230  13.404   1.473
   87    HD2  PRO  12           HD2      PRO  12  15.981  16.266   1.813
   88    HD3  PRO  12           HD1      PRO  12  14.929  15.238   2.806
   89    H    SER  13           HN       SER  13  20.154  12.808   2.723
   90    HA   SER  13           HA       SER  13  21.787  15.191   2.754
   91    HB2  SER  13           HB2      SER  13  23.646  13.685   3.048
   92    HB3  SER  13           HB1      SER  13  22.324  13.137   4.075
   93    HG   SER  13           HG       SER  13  22.920  12.161   1.473
   94    H    LEU  14           HN       LEU  14  23.584  15.522   1.212
   95    HA   LEU  14           HA       LEU  14  22.672  15.494  -1.465
   96    HB2  LEU  14           HB2      LEU  14  25.444  15.923  -0.317
   97    HB3  LEU  14           HB1      LEU  14  25.044  16.151  -2.017
   98    HG   LEU  14           HG       LEU  14  23.650  17.563   0.279
   99   HD11  LEU  14          HD11      LEU  14  24.911  19.563  -0.751
  100   HD12  LEU  14          HD12      LEU  14  25.945  18.350  -1.508
  101   HD13  LEU  14          HD13      LEU  14  25.840  18.443   0.250
  102   HD21  LEU  14          HD21      LEU  14  23.192  19.095  -1.882
  103   HD22  LEU  14          HD22      LEU  14  22.118  17.777  -1.427
  104   HD23  LEU  14          HD23      LEU  14  23.322  17.540  -2.691
  105    H    THR  15           HN       THR  15  24.902  13.416   0.345
  106    HA   THR  15           HA       THR  15  25.376  11.710  -1.970
  107    HB   THR  15           HB       THR  15  26.795  10.415  -0.489
  108    HG1  THR  15           HG1      THR  15  26.776  11.589   1.774
  109   HG21  THR  15          HG21      THR  15  27.061  13.269  -0.815
  110   HG22  THR  15          HG22      THR  15  28.325  12.038  -0.776
  111   HG23  THR  15          HG23      THR  15  27.766  12.772   0.723
  112    H    SER  16           HN       SER  16  24.969   9.322  -1.750
  113    HA   SER  16           HA       SER  16  22.202   8.884  -1.074
  114    HB2  SER  16           HB2      SER  16  22.410   6.874  -2.219
  115    HB3  SER  16           HB1      SER  16  23.655   7.845  -2.990
  116    HG   SER  16           HG       SER  16  23.868   5.645  -1.355
  117    H    ASP  17           HN       ASP  17  21.460   7.153   0.321
  118    HA   ASP  17           HA       ASP  17  22.663   7.236   2.903
  119    HB2  ASP  17           HB2      ASP  17  20.408   5.629   1.709
  120    HB3  ASP  17           HB1      ASP  17  20.908   5.436   3.384
  121    H    GLY  18           HN       GLY  18  23.840   5.714   4.015
  122    HA2  GLY  18           HA2      GLY  18  25.053   3.776   4.393
  123    HA3  GLY  18           HA1      GLY  18  24.324   3.083   2.945
  124    H    ALA  19           HN       ALA  19  25.792   6.178   2.649
  125    HA   ALA  19           HA       ALA  19  27.572   5.412   0.611
  126    HB1  ALA  19           HB1      ALA  19  27.650   7.831   2.428
  127    HB2  ALA  19           HB2      ALA  19  26.774   7.710   0.903
  128    HB3  ALA  19           HB3      ALA  19  28.541   7.664   0.910
  129    H    GLU  20           HN       GLU  20  27.899   5.390   4.064
  130    HA   GLU  20           HA       GLU  20  30.694   5.522   4.318
  131    HB2  GLU  20           HB2      GLU  20  29.086   5.764   6.184
  132    HB3  GLU  20           HB1      GLU  20  28.712   4.049   6.076
  133    HG2  GLU  20           HG2      GLU  20  30.322   4.303   7.843
  134    HG3  GLU  20           HG1      GLU  20  31.180   3.590   6.481
  135    H    VAL  21           HN       VAL  21  28.575   2.791   3.545
  136    HA   VAL  21           HA       VAL  21  30.385   0.701   4.037
  137    HB   VAL  21           HB       VAL  21  27.950   0.433   3.582
  138   HG11  VAL  21          HG11      VAL  21  28.494   1.933   1.327
  139   HG12  VAL  21          HG12      VAL  21  27.007   1.032   1.624
  140   HG13  VAL  21          HG13      VAL  21  28.311   0.305   0.678
  141   HG21  VAL  21          HG21      VAL  21  28.346  -1.724   3.060
  142   HG22  VAL  21          HG22      VAL  21  30.045  -1.286   2.885
  143   HG23  VAL  21          HG23      VAL  21  28.989  -1.295   1.476
  144    H    GLU  22           HN       GLU  22  30.231   2.987   1.401
  145    HA   GLU  22           HA       GLU  22  31.694   1.561  -0.544
  146    HB2  GLU  22           HB2      GLU  22  30.476   3.647  -1.018
  147    HB3  GLU  22           HB1      GLU  22  31.622   4.542  -0.014
  148    HG2  GLU  22           HG2      GLU  22  33.464   3.881  -1.509
  149    HG3  GLU  22           HG1      GLU  22  32.335   2.954  -2.500
  150    H    LEU  23           HN       LEU  23  32.729   3.663   2.119
  151    HA   LEU  23           HA       LEU  23  35.530   2.820   1.633
  152    HB2  LEU  23           HB2      LEU  23  34.515   5.324   3.007
  153    HB3  LEU  23           HB1      LEU  23  36.203   4.902   2.756
  154    HG   LEU  23           HG       LEU  23  34.169   5.355   0.552
  155   HD11  LEU  23          HD11      LEU  23  36.124   7.247   0.252
  156   HD12  LEU  23          HD12      LEU  23  36.043   7.123   2.007
  157   HD13  LEU  23          HD13      LEU  23  34.598   7.528   1.081
  158   HD21  LEU  23          HD21      LEU  23  36.487   5.486  -0.724
  159   HD22  LEU  23          HD22      LEU  23  35.724   3.931  -0.427
  160   HD23  LEU  23          HD23      LEU  23  37.039   4.477   0.610
  161    H    SER  24           HN       SER  24  36.437   1.591   3.161
  162    HA   SER  24           HA       SER  24  35.533   1.788   5.943
  163    HB2  SER  24           HB2      SER  24  35.429  -0.732   6.048
  164    HB3  SER  24           HB1      SER  24  34.137   0.035   5.137
  165    HG   SER  24           HG       SER  24  34.921  -0.762   3.333
  166    H    ALA  25           HN       ALA  25  36.944   0.313   7.374
  167    HA   ALA  25           HA       ALA  25  39.505   1.220   7.401
  168    HB1  ALA  25           HB1      ALA  25  38.028  -0.801   8.793
  169    HB2  ALA  25           HB2      ALA  25  39.416   0.128   9.345
  170    HB3  ALA  25           HB3      ALA  25  39.667  -1.385   8.478
  171    HA   PRO  26           HA       PRO  26  41.180  -2.813   5.207
  172    HB2  PRO  26           HB2      PRO  26  38.899  -3.304   3.361
  173    HB3  PRO  26           HB1      PRO  26  39.953  -4.462   4.198
  174    HG2  PRO  26           HG2      PRO  26  37.439  -4.031   4.983
  175    HG3  PRO  26           HG1      PRO  26  38.732  -4.380   6.136
  176    HD2  PRO  26           HD2      PRO  26  37.391  -1.783   5.539
  177    HD3  PRO  26           HD1      PRO  26  38.061  -2.378   7.069
  178    H    VAL  27           HN       VAL  27  38.913  -0.687   3.475
  179    HA   VAL  27           HA       VAL  27  40.494  -0.421   1.106
  180    HB   VAL  27           HB       VAL  27  38.270   1.276   2.272
  181   HG11  VAL  27          HG11      VAL  27  39.924   1.546  -0.229
  182   HG12  VAL  27          HG12      VAL  27  39.393   2.804   0.888
  183   HG13  VAL  27          HG13      VAL  27  38.238   2.069  -0.224
  184   HG21  VAL  27          HG21      VAL  27  38.434  -0.764   0.030
  185   HG22  VAL  27          HG22      VAL  27  37.017   0.230   0.364
  186   HG23  VAL  27          HG23      VAL  27  37.572  -0.948   1.557
  187    H    LEU  28           HN       LEU  28  40.116   1.428   4.078
  188    HA   LEU  28           HA       LEU  28  41.798   3.595   3.400
  189    HB2  LEU  28           HB2      LEU  28  41.080   2.424   6.094
  190    HB3  LEU  28           HB1      LEU  28  41.982   3.921   5.880
  191    HG   LEU  28           HG       LEU  28  39.245   3.420   4.671
  192   HD11  LEU  28          HD11      LEU  28  40.111   4.401   7.348
  193   HD12  LEU  28          HD12      LEU  28  38.636   3.544   6.880
  194   HD13  LEU  28          HD13      LEU  28  38.790   5.272   6.570
  195   HD21  LEU  28          HD21      LEU  28  39.467   6.088   4.798
  196   HD22  LEU  28          HD22      LEU  28  40.088   5.181   3.426
  197   HD23  LEU  28          HD23      LEU  28  41.184   5.709   4.696
  198    H    GLN  29           HN       GLN  29  42.485   0.493   5.003
  199    HA   GLN  29           HA       GLN  29  45.166   1.064   5.681
  200    HB2  GLN  29           HB2      GLN  29  43.759  -1.566   5.174
  201    HB3  GLN  29           HB1      GLN  29  45.423  -1.451   5.744
  202    HG2  GLN  29           HG2      GLN  29  44.702  -0.192   7.707
  203    HG3  GLN  29           HG1      GLN  29  43.038  -0.201   7.133
  204   HE21  GLN  29          HE21      GLN  29  42.969  -1.248   9.475
  205   HE22  GLN  29          HE22      GLN  29  43.063  -2.940   9.517
  206    H    GLU  30           HN       GLU  30  43.740  -0.411   2.780
  207    HA   GLU  30           HA       GLU  30  46.246  -1.009   1.578
  208    HB2  GLU  30           HB2      GLU  30  43.515  -0.594   0.350
  209    HB3  GLU  30           HB1      GLU  30  44.927  -1.183  -0.524
  210    HG2  GLU  30           HG2      GLU  30  45.115  -3.103   0.972
  211    HG3  GLU  30           HG1      GLU  30  43.763  -2.506   1.939
  212    H    ILE  31           HN       ILE  31  44.098   1.850   1.421
  213    HA   ILE  31           HA       ILE  31  45.554   3.173  -0.628
  214    HB   ILE  31           HB       ILE  31  43.822   4.258   1.615
  215   HG12  ILE  31          HG12      ILE  31  43.251   4.039  -1.362
  216   HG13  ILE  31          HG11      ILE  31  42.837   2.761  -0.230
  217   HG21  ILE  31          HG21      ILE  31  45.152   5.606  -0.760
  218   HG22  ILE  31          HG22      ILE  31  45.295   6.040   0.946
  219   HG23  ILE  31          HG23      ILE  31  43.776   6.315   0.094
  220   HD11  ILE  31          HD11      ILE  31  41.333   4.166   0.980
  221   HD12  ILE  31          HD12      ILE  31  40.979   4.437  -0.729
  222   HD13  ILE  31          HD13      ILE  31  41.936   5.617   0.172
  223    H    TYR  32           HN       TYR  32  45.800   3.210   2.928
  224    HA   TYR  32           HA       TYR  32  47.828   5.157   3.124
  225    HB2  TYR  32           HB2      TYR  32  46.555   4.434   5.060
  226    HB3  TYR  32           HB1      TYR  32  47.194   2.800   4.904
  227    HD1  TYR  32           HD1      TYR  32  48.196   6.343   5.442
  228    HD2  TYR  32           HD2      TYR  32  49.258   2.205   5.876
  229    HE1  TYR  32           HE1      TYR  32  50.145   6.991   6.831
  230    HE2  TYR  32           HE2      TYR  32  51.209   2.851   7.260
  231    HH   TYR  32           HH       TYR  32  51.725   4.975   8.804
  232    H    LEU  33           HN       LEU  33  48.060   1.591   2.887
  233    HA   LEU  33           HA       LEU  33  50.882   1.490   3.028
  234    HB2  LEU  33           HB2      LEU  33  48.873  -0.382   1.785
  235    HB3  LEU  33           HB1      LEU  33  50.596  -0.746   1.881
  236    HG   LEU  33           HG       LEU  33  48.873  -0.040   4.276
  237   HD11  LEU  33          HD11      LEU  33  49.642  -2.704   3.083
  238   HD12  LEU  33          HD12      LEU  33  48.033  -2.124   3.524
  239   HD13  LEU  33          HD13      LEU  33  49.199  -2.537   4.780
  240   HD21  LEU  33          HD21      LEU  33  51.750  -0.489   3.842
  241   HD22  LEU  33          HD22      LEU  33  51.075  -1.511   5.112
  242   HD23  LEU  33          HD23      LEU  33  50.918   0.244   5.212
  243    H    SER  34           HN       SER  34  48.655   1.748   0.313
  244    HA   SER  34           HA       SER  34  50.615   1.536  -1.726
  245    HB2  SER  34           HB2      SER  34  48.873   2.495  -3.193
  246    HB3  SER  34           HB1      SER  34  48.239   1.181  -2.192
  247    HG   SER  34           HG       SER  34  47.758   3.927  -2.103
  248    H    GLY  35           HN       GLY  35  49.318   4.226   0.158
  249    HA2  GLY  35           HA2      GLY  35  50.481   6.341  -1.340
  250    HA3  GLY  35           HA1      GLY  35  49.946   6.429   0.337
  251    H    LEU  36           HN       LEU  36  51.619   4.314   1.318
  252    HA   LEU  36           HA       LEU  36  53.926   5.761   1.994
  253    HB2  LEU  36           HB2      LEU  36  53.009   3.974   3.397
  254    HB3  LEU  36           HB1      LEU  36  53.368   2.786   2.148
  255    HG   LEU  36           HG       LEU  36  55.769   3.239   2.370
  256   HD11  LEU  36          HD11      LEU  36  56.344   4.658   4.509
  257   HD12  LEU  36          HD12      LEU  36  54.775   5.400   4.198
  258   HD13  LEU  36          HD13      LEU  36  56.039   5.465   2.971
  259   HD21  LEU  36          HD21      LEU  36  56.100   2.383   4.660
  260   HD22  LEU  36          HD22      LEU  36  54.785   1.537   3.842
  261   HD23  LEU  36          HD23      LEU  36  54.427   2.776   5.045
  262    H    ARG  37           HN       ARG  37  53.392   3.149  -0.379
  263    HA   ARG  37           HA       ARG  37  56.099   2.926  -1.174
  264    HB2  ARG  37           HB2      ARG  37  53.508   2.291  -2.578
  265    HB3  ARG  37           HB1      ARG  37  55.087   1.971  -3.303
  266    HG2  ARG  37           HG2      ARG  37  55.706   0.609  -1.358
  267    HG3  ARG  37           HG1      ARG  37  54.147   0.940  -0.610
  268    HD2  ARG  37           HD2      ARG  37  53.007  -0.138  -2.519
  269    HD3  ARG  37           HD1      ARG  37  54.581  -0.481  -3.246
  270    HE   ARG  37           HE       ARG  37  54.933  -2.150  -1.639
  271   HH11  ARG  37          HH21      ARG  37  52.163  -0.205  -0.977
  272   HH12  ARG  37          HH22      ARG  37  51.499  -1.288   0.199
  273   HH21  ARG  37          HH11      ARG  37  54.096  -3.572  -0.075
  274   HH22  ARG  37          HH12      ARG  37  52.608  -3.199   0.720
  275    H    SER  38           HN       SER  38  53.435   4.963  -2.345
  276    HA   SER  38           HA       SER  38  54.951   6.147  -4.462
  277    HB2  SER  38           HB2      SER  38  52.411   6.981  -3.061
  278    HB3  SER  38           HB1      SER  38  53.111   7.856  -4.426
  279    HG   SER  38           HG       SER  38  53.118   5.476  -5.279
  280    H    TRP  39           HN       TRP  39  54.350   6.868  -1.089
  281    HA   TRP  39           HA       TRP  39  55.274   9.510  -0.980
  282    HB2  TRP  39           HB2      TRP  39  53.956   8.382   0.794
  283    HB3  TRP  39           HB1      TRP  39  55.366   7.403   1.188
  284    HD1  TRP  39           HD1      TRP  39  54.288  11.091   1.049
  285    HE1  TRP  39           HE1      TRP  39  55.607  12.397   2.835
  286    HE3  TRP  39           HE3      TRP  39  57.333   7.373   2.775
  287    HZ2  TRP  39           HZ2      TRP  39  57.678  11.911   4.768
  288    HZ3  TRP  39           HZ3      TRP  39  58.950   7.808   4.601
  289    HH2  TRP  39           HH2      TRP  39  59.129  10.073   5.597
  290    H    LYS  40           HN       LYS  40  56.996   6.436  -0.773
  291    HA   LYS  40           HA       LYS  40  59.455   7.354   0.177
  292    HB2  LYS  40           HB2      LYS  40  58.788   4.975   0.041
  293    HB3  LYS  40           HB1      LYS  40  58.954   5.048  -1.716
  294    HG2  LYS  40           HG2      LYS  40  61.338   5.608  -1.482
  295    HG3  LYS  40           HG1      LYS  40  61.184   5.590   0.272
  296    HD2  LYS  40           HD2      LYS  40  60.515   3.214   0.199
  297    HD3  LYS  40           HD1      LYS  40  60.689   3.230  -1.560
  298    HE2  LYS  40           HE2      LYS  40  63.057   3.809  -1.354
  299    HE3  LYS  40           HE1      LYS  40  62.909   3.839   0.403
  300    HZ1  LYS  40           HZ1      LYS  40  63.763   1.736  -0.170
  301    HZ2  LYS  40           HZ2      LYS  40  62.616   1.515  -1.407
  302    HZ3  LYS  40           HZ3      LYS  40  62.129   1.480   0.218
  303    H    ARG  41           HN       ARG  41  58.160   7.470  -3.184
  304    HA   ARG  41           HA       ARG  41  60.683   7.988  -4.414
  305    HB2  ARG  41           HB2      ARG  41  58.582   7.465  -5.658
  306    HB3  ARG  41           HB1      ARG  41  57.949   9.044  -5.209
  307    HG2  ARG  41           HG2      ARG  41  59.860  10.128  -6.363
  308    HG3  ARG  41           HG1      ARG  41  60.461   8.541  -6.837
  309    HD2  ARG  41           HD2      ARG  41  59.189   9.495  -8.685
  310    HD3  ARG  41           HD1      ARG  41  58.317   8.113  -8.029
  311    HE   ARG  41           HE       ARG  41  57.466  10.484  -6.726
  312   HH11  ARG  41          HH21      ARG  41  57.318   8.789  -9.733
  313   HH12  ARG  41          HH22      ARG  41  55.807   9.490 -10.214
  314   HH21  ARG  41          HH11      ARG  41  55.481  11.417  -7.355
  315   HH22  ARG  41          HH12      ARG  41  54.781  10.991  -8.883
  316    H    HIS  42           HN       HIS  42  58.180   9.998  -3.037
  317    HA   HIS  42           HA       HIS  42  59.429  12.513  -3.425
  318    HB2  HIS  42           HB2      HIS  42  57.314  11.585  -1.465
  319    HB3  HIS  42           HB1      HIS  42  57.860  13.268  -1.579
  320    HD2  HIS  42           HD2      HIS  42  57.903  11.979  -5.112
  321    HE1  HIS  42           HE1      HIS  42  53.983  13.464  -4.599
  322    HE2  HIS  42           HE2      HIS  42  55.697  12.696  -6.308
  323    H    LEU  43           HN       LEU  43  59.923   9.984  -1.182
  324    HA   LEU  43           HA       LEU  43  61.292  11.542   0.829
  325    HB2  LEU  43           HB2      LEU  43  59.939   9.370   1.168
  326    HB3  LEU  43           HB1      LEU  43  61.376   8.552   0.550
  327    HG   LEU  43           HG       LEU  43  62.726   9.664   2.338
  328   HD11  LEU  43          HD11      LEU  43  61.055  10.406   4.303
  329   HD12  LEU  43          HD12      LEU  43  60.046  10.860   2.934
  330   HD13  LEU  43          HD13      LEU  43  61.650  11.556   3.116
  331   HD21  LEU  43          HD21      LEU  43  61.391   8.361   4.235
  332   HD22  LEU  43          HD22      LEU  43  62.194   7.493   2.927
  333   HD23  LEU  43          HD23      LEU  43  60.459   7.787   2.848
  334    H    SER  44           HN       SER  44  62.159  10.347  -2.217
  335    HA   SER  44           HA       SER  44  64.677   9.256  -1.841
  336    HB2  SER  44           HB2      SER  44  63.739   9.116  -4.004
  337    HB3  SER  44           HB1      SER  44  63.530  10.852  -4.109
  338    HG   SER  44           HG       SER  44  65.574   9.447  -4.928
  339    H    ARG  45           HN       ARG  45  63.933  12.781  -2.309
  340    HA   ARG  45           HA       ARG  45  66.657  13.495  -2.327
  341    HB2  ARG  45           HB2      ARG  45  64.203  15.079  -1.575
  342    HB3  ARG  45           HB1      ARG  45  65.828  15.783  -1.608
  343    HG2  ARG  45           HG2      ARG  45  66.082  15.139  -3.954
  344    HG3  ARG  45           HG1      ARG  45  64.485  14.386  -3.942
  345    HD2  ARG  45           HD2      ARG  45  63.455  16.563  -3.438
  346    HD3  ARG  45           HD1      ARG  45  65.044  17.319  -3.410
  347    HE   ARG  45           HE       ARG  45  64.804  16.052  -5.875
  348   HH11  ARG  45          HH21      ARG  45  63.199  18.532  -4.065
  349   HH12  ARG  45          HH22      ARG  45  62.771  19.457  -5.462
  350   HH21  ARG  45          HH11      ARG  45  64.277  17.282  -7.699
  351   HH22  ARG  45          HH12      ARG  45  63.379  18.755  -7.512
  352    H    PHE  46           HN       PHE  46  64.345  13.415   0.350
  353    HA   PHE  46           HA       PHE  46  66.131  14.233   2.368
  354    HB2  PHE  46           HB2      PHE  46  63.721  14.257   2.706
  355    HB3  PHE  46           HB1      PHE  46  63.659  12.502   2.528
  356    HD1  PHE  46           HD2      PHE  46  65.322  15.172   4.564
  357    HD2  PHE  46           HD1      PHE  46  63.875  11.127   4.416
  358    HE1  PHE  46           HE2      PHE  46  65.865  14.890   6.966
  359    HE2  PHE  46           HE1      PHE  46  64.424  10.850   6.820
  360    HZ   PHE  46           HZ       PHE  46  65.421  12.730   8.095
  361    H    TRP  47           HN       TRP  47  65.217  11.045   1.151
  362    HA   TRP  47           HA       TRP  47  66.630   9.469   3.002
  363    HB2  TRP  47           HB2      TRP  47  64.970   8.432   1.619
  364    HB3  TRP  47           HB1      TRP  47  65.809   8.925   0.147
  365    HD1  TRP  47           HD1      TRP  47  67.327   7.150  -0.871
  366    HE1  TRP  47           HE1      TRP  47  68.530   5.038  -0.005
  367    HE3  TRP  47           HE3      TRP  47  66.105   7.417   4.075
  368    HZ2  TRP  47           HZ2      TRP  47  68.925   3.651   2.465
  369    HZ3  TRP  47           HZ3      TRP  47  66.906   5.692   5.665
  370    HH2  TRP  47           HH2      TRP  47  68.315   3.810   4.867
  371    H    ASN  48           HN       ASN  48  67.637  10.808  -0.131
  372    HA   ASN  48           HA       ASN  48  70.148   9.513  -0.275
  373    HB2  ASN  48           HB2      ASN  48  69.055  12.032  -1.536
  374    HB3  ASN  48           HB1      ASN  48  70.702  11.483  -1.831
  375   HD21  ASN  48          HD21      ASN  48  68.697  11.567  -3.931
  376   HD22  ASN  48          HD22      ASN  48  68.399   9.966  -4.413
  377    H    ASP  49           HN       ASP  49  69.137  12.614   1.124
  378    HA   ASP  49           HA       ASP  49  71.873  13.110   2.068
  379    HB2  ASP  49           HB2      ASP  49  70.452  14.917   0.988
  380    HB3  ASP  49           HB1      ASP  49  69.435  14.871   2.427
  381    H    PHE  50           HN       PHE  50  72.405  12.094   3.867
  382    HA   PHE  50           HA       PHE  50  70.798  10.869   5.728
  383    HB2  PHE  50           HB2      PHE  50  73.245  10.606   5.677
  384    HB3  PHE  50           HB1      PHE  50  73.438  12.262   6.262
  385    HD1  PHE  50           HD1      PHE  50  71.956   8.946   7.131
  386    HD2  PHE  50           HD2      PHE  50  73.313  12.758   8.584
  387    HE1  PHE  50           HE1      PHE  50  71.708   8.148   9.466
  388    HE2  PHE  50           HE2      PHE  50  73.064  11.954  10.917
  389    HZ   PHE  50           HZ       PHE  50  72.262   9.650  11.356
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1  33.686 -22.160  -9.512
    2    H2   MET   1           HT2      MET   1  32.148 -21.472  -9.730
    3    H3   MET   1           HT3      MET   1  33.488 -20.846 -10.565
    4    HA   MET   1           HA       MET   1  33.705 -23.148 -11.597
    5    HB2  MET   1           HB2      MET   1  32.086 -24.185  -9.995
    6    HB3  MET   1           HB1      MET   1  30.801 -23.219 -10.719
    7    HG2  MET   1           HG2      MET   1  31.225 -24.266 -12.906
    8    HG3  MET   1           HG1      MET   1  32.546 -25.200 -12.213
    9    HE1  MET   1           HE1      MET   1  28.976 -24.272 -12.269
   10    HE2  MET   1           HE2      MET   1  28.841 -24.483 -10.524
   11    HE3  MET   1           HE3      MET   1  28.051 -25.625 -11.608
   12    H    ALA   2           HN       ALA   2  30.587 -21.384 -11.550
   13    HA   ALA   2           HA       ALA   2  31.258 -20.239 -14.178
   14    HB1  ALA   2           HB1      ALA   2  28.499 -21.312 -13.739
   15    HB2  ALA   2           HB2      ALA   2  29.782 -22.414 -14.240
   16    HB3  ALA   2           HB3      ALA   2  29.363 -21.028 -15.250
   17    H    GLU   3           HN       GLU   3  30.019 -18.400 -14.767
   18    HA   GLU   3           HA       GLU   3  29.523 -16.606 -12.631
   19    HB2  GLU   3           HB2      GLU   3  30.247 -15.915 -14.912
   20    HB3  GLU   3           HB1      GLU   3  28.669 -16.401 -15.532
   21    HG2  GLU   3           HG2      GLU   3  27.564 -14.771 -14.087
   22    HG3  GLU   3           HG1      GLU   3  29.115 -14.309 -13.387
   23    H    ALA   4           HN       ALA   4  27.617 -15.900 -11.716
   24    HA   ALA   4           HA       ALA   4  25.106 -17.131 -12.644
   25    HB1  ALA   4           HB1      ALA   4  24.914 -18.420 -10.827
   26    HB2  ALA   4           HB2      ALA   4  25.061 -17.003  -9.788
   27    HB3  ALA   4           HB3      ALA   4  26.506 -17.884 -10.288
   28    H    HIS   5           HN       HIS   5  23.243 -15.937 -12.227
   29    HA   HIS   5           HA       HIS   5  23.562 -13.126 -12.140
   30    HB2  HIS   5           HB2      HIS   5  21.131 -14.899 -11.857
   31    HB3  HIS   5           HB1      HIS   5  21.041 -13.138 -11.913
   32    HD2  HIS   5           HD2      HIS   5  21.483 -16.128 -14.354
   33    HE1  HIS   5           HE1      HIS   5  21.992 -12.592 -16.607
   34    HE2  HIS   5           HE2      HIS   5  21.714 -15.114 -16.748
   35    H    GLN   6           HN       GLN   6  22.520 -15.495  -9.703
   36    HA   GLN   6           HA       GLN   6  21.845 -13.617  -7.692
   37    HB2  GLN   6           HB2      GLN   6  22.751 -16.498  -7.535
   38    HB3  GLN   6           HB1      GLN   6  22.225 -15.567  -6.132
   39    HG2  GLN   6           HG2      GLN   6  20.042 -15.181  -7.189
   40    HG3  GLN   6           HG1      GLN   6  20.564 -16.072  -8.618
   41   HE21  GLN   6          HE21      GLN   6  18.418 -17.265  -7.680
   42   HE22  GLN   6          HE22      GLN   6  18.757 -18.594  -6.681
   43    H    ALA   7           HN       ALA   7  24.829 -15.314  -8.503
   44    HA   ALA   7           HA       ALA   7  26.379 -14.380  -6.327
   45    HB1  ALA   7           HB1      ALA   7  28.096 -15.508  -7.325
   46    HB2  ALA   7           HB2      ALA   7  27.709 -14.889  -8.931
   47    HB3  ALA   7           HB3      ALA   7  26.773 -16.219  -8.250
   48    H    VAL   8           HN       VAL   8  25.742 -13.094  -9.557
   49    HA   VAL   8           HA       VAL   8  27.631 -10.990  -9.509
   50    HB   VAL   8           HB       VAL   8  24.996 -11.277 -10.967
   51   HG11  VAL   8          HG11      VAL   8  27.144  -9.153 -11.097
   52   HG12  VAL   8          HG12      VAL   8  25.408  -8.933 -10.881
   53   HG13  VAL   8          HG13      VAL   8  26.043  -9.455 -12.442
   54   HG21  VAL   8          HG21      VAL   8  27.593 -11.279 -12.378
   55   HG22  VAL   8          HG22      VAL   8  26.194 -12.334 -12.591
   56   HG23  VAL   8          HG23      VAL   8  27.343 -12.645 -11.291
   57    H    GLY   9           HN       GLY   9  24.217 -11.150  -8.571
   58    HA2  GLY   9           HA2      GLY   9  23.118  -9.938  -6.917
   59    HA3  GLY   9           HA1      GLY   9  24.596  -9.022  -6.647
   60    H    PHE  10           HN       PHE  10  22.479  -7.520  -6.563
   61    HA   PHE  10           HA       PHE  10  22.124  -6.336  -9.245
   62    HB2  PHE  10           HB2      PHE  10  20.410  -6.274  -6.759
   63    HB3  PHE  10           HB1      PHE  10  20.146  -5.186  -8.123
   64    HD1  PHE  10           HD1      PHE  10  19.466  -6.055 -10.320
   65    HD2  PHE  10           HD2      PHE  10  19.981  -8.655  -6.941
   66    HE1  PHE  10           HE1      PHE  10  18.274  -7.865 -11.527
   67    HE2  PHE  10           HE2      PHE  10  18.785 -10.461  -8.150
   68    HZ   PHE  10           HZ       PHE  10  17.933 -10.064 -10.441
   69    H    ARG  11           HN       ARG  11  22.594  -4.210  -9.588
   70    HA   ARG  11           HA       ARG  11  23.075  -2.339  -7.499
   71    HB2  ARG  11           HB2      ARG  11  25.141  -3.892  -7.456
   72    HB3  ARG  11           HB1      ARG  11  25.582  -3.113  -8.977
   73    HG2  ARG  11           HG2      ARG  11  25.507  -0.913  -7.912
   74    HG3  ARG  11           HG1      ARG  11  24.979  -1.640  -6.394
   75    HD2  ARG  11           HD2      ARG  11  27.103  -2.056  -5.816
   76    HD3  ARG  11           HD1      ARG  11  27.349  -2.986  -7.292
   77    HE   ARG  11           HE       ARG  11  27.447  -0.192  -7.842
   78   HH11  ARG  11          HH21      ARG  11  29.183  -2.835  -6.452
   79   HH12  ARG  11          HH22      ARG  11  30.746  -2.136  -6.726
   80   HH21  ARG  11          HH11      ARG  11  29.484   0.736  -8.212
   81   HH22  ARG  11          HH12      ARG  11  30.912  -0.111  -7.723
   82    HA   PRO  12           HA       PRO  12  22.089  -0.775 -11.779
   83    HB2  PRO  12           HB2      PRO  12  20.434   1.048 -10.133
   84    HB3  PRO  12           HB1      PRO  12  19.988   0.121 -11.576
   85    HG2  PRO  12           HG2      PRO  12  19.143  -0.552  -9.120
   86    HG3  PRO  12           HG1      PRO  12  19.478  -1.759 -10.371
   87    HD2  PRO  12           HD2      PRO  12  21.096  -1.055  -7.959
   88    HD3  PRO  12           HD1      PRO  12  20.924  -2.615  -8.796
   89    H    SER  13           HN       SER  13  22.963   1.012 -12.721
   90    HA   SER  13           HA       SER  13  24.968   2.451 -11.327
   91    HB2  SER  13           HB2      SER  13  25.196   3.730 -13.416
   92    HB3  SER  13           HB1      SER  13  25.110   1.998 -13.725
   93    HG   SER  13           HG       SER  13  23.735   3.256 -15.102
   94    H    LEU  14           HN       LEU  14  21.574   2.990 -11.771
   95    HA   LEU  14           HA       LEU  14  21.662   5.831 -11.383
   96    HB2  LEU  14           HB2      LEU  14  19.419   3.821 -11.153
   97    HB3  LEU  14           HB1      LEU  14  19.188   5.546 -10.896
   98    HG   LEU  14           HG       LEU  14  20.363   4.340 -13.421
   99   HD11  LEU  14          HD11      LEU  14  17.550   5.100 -12.660
  100   HD12  LEU  14          HD12      LEU  14  18.121   3.621 -13.433
  101   HD13  LEU  14          HD13      LEU  14  18.073   5.129 -14.345
  102   HD21  LEU  14          HD21      LEU  14  19.910   7.093 -12.424
  103   HD22  LEU  14          HD22      LEU  14  19.348   6.802 -14.066
  104   HD23  LEU  14          HD23      LEU  14  21.036   6.511 -13.647
  105    H    THR  15           HN       THR  15  21.434   7.009  -9.551
  106    HA   THR  15           HA       THR  15  21.640   7.511  -7.323
  107    HB   THR  15           HB       THR  15  20.037   6.567  -5.912
  108    HG1  THR  15           HG1      THR  15  19.417   4.299  -7.230
  109   HG21  THR  15          HG21      THR  15  19.243   7.406  -8.280
  110   HG22  THR  15          HG22      THR  15  18.092   6.633  -7.188
  111   HG23  THR  15          HG23      THR  15  18.811   5.711  -8.509
  112    H    SER  16           HN       SER  16  22.367   6.637  -5.154
  113    HA   SER  16           HA       SER  16  24.817   5.203  -5.541
  114    HB2  SER  16           HB2      SER  16  25.182   5.599  -3.179
  115    HB3  SER  16           HB1      SER  16  24.540   7.065  -3.917
  116    HG   SER  16           HG       SER  16  22.498   5.540  -3.168
  117    H    ASP  17           HN       ASP  17  25.457   3.339  -4.244
  118    HA   ASP  17           HA       ASP  17  23.356   1.300  -4.235
  119    HB2  ASP  17           HB2      ASP  17  25.270  -0.269  -3.925
  120    HB3  ASP  17           HB1      ASP  17  25.399   0.708  -5.385
  121    H    GLY  18           HN       GLY  18  24.529   3.482  -2.075
  122    HA2  GLY  18           HA2      GLY  18  23.954   3.623   0.193
  123    HA3  GLY  18           HA1      GLY  18  23.579   1.903   0.185
  124    H    ALA  19           HN       ALA  19  26.538   2.382  -1.304
  125    HA   ALA  19           HA       ALA  19  28.008   1.091   0.760
  126    HB1  ALA  19           HB1      ALA  19  29.801   1.131  -0.716
  127    HB2  ALA  19           HB2      ALA  19  29.348   2.702  -1.379
  128    HB3  ALA  19           HB3      ALA  19  28.439   1.261  -1.829
  129    H    GLU  20           HN       GLU  20  29.493   1.897   2.230
  130    HA   GLU  20           HA       GLU  20  29.539   4.843   2.521
  131    HB2  GLU  20           HB2      GLU  20  29.471   2.714   4.658
  132    HB3  GLU  20           HB1      GLU  20  29.837   4.410   4.978
  133    HG2  GLU  20           HG2      GLU  20  27.678   5.084   4.046
  134    HG3  GLU  20           HG1      GLU  20  27.317   3.410   3.625
  135    H    VAL  21           HN       VAL  21  31.417   5.797   2.469
  136    HA   VAL  21           HA       VAL  21  33.819   4.433   1.909
  137    HB   VAL  21           HB       VAL  21  33.257   7.265   2.808
  138   HG11  VAL  21          HG11      VAL  21  35.817   5.851   2.117
  139   HG12  VAL  21          HG12      VAL  21  35.509   7.040   3.384
  140   HG13  VAL  21          HG13      VAL  21  35.625   7.554   1.700
  141   HG21  VAL  21          HG21      VAL  21  32.324   6.737   0.633
  142   HG22  VAL  21          HG22      VAL  21  33.828   5.967   0.127
  143   HG23  VAL  21          HG23      VAL  21  33.774   7.710   0.384
  144    H    GLU  22           HN       GLU  22  32.569   5.937   4.878
  145    HA   GLU  22           HA       GLU  22  34.873   5.504   6.456
  146    HB2  GLU  22           HB2      GLU  22  33.005   7.078   7.027
  147    HB3  GLU  22           HB1      GLU  22  32.011   5.677   7.423
  148    HG2  GLU  22           HG2      GLU  22  32.977   6.486   9.478
  149    HG3  GLU  22           HG1      GLU  22  33.790   4.977   9.075
  150    H    LEU  23           HN       LEU  23  32.007   3.495   5.862
  151    HA   LEU  23           HA       LEU  23  32.548   1.558   7.843
  152    HB2  LEU  23           HB2      LEU  23  30.382   1.696   6.654
  153    HB3  LEU  23           HB1      LEU  23  31.175   1.195   5.163
  154    HG   LEU  23           HG       LEU  23  31.801  -0.953   6.199
  155   HD11  LEU  23          HD11      LEU  23  32.047  -0.691   8.482
  156   HD12  LEU  23          HD12      LEU  23  30.411  -1.349   8.443
  157   HD13  LEU  23          HD13      LEU  23  30.659   0.390   8.616
  158   HD21  LEU  23          HD21      LEU  23  29.601  -1.933   6.222
  159   HD22  LEU  23          HD22      LEU  23  29.563  -0.606   5.062
  160   HD23  LEU  23          HD23      LEU  23  28.862  -0.395   6.666
  161    H    SER  24           HN       SER  24  33.531   1.825   4.444
  162    HA   SER  24           HA       SER  24  34.856  -0.646   4.239
  163    HB2  SER  24           HB2      SER  24  35.750   1.857   2.823
  164    HB3  SER  24           HB1      SER  24  35.826   0.193   2.254
  165    HG   SER  24           HG       SER  24  33.320   0.635   2.819
  166    H    ALA  25           HN       ALA  25  36.269  -1.226   5.815
  167    HA   ALA  25           HA       ALA  25  38.178   0.607   6.945
  168    HB1  ALA  25           HB1      ALA  25  37.184  -1.994   7.578
  169    HB2  ALA  25           HB2      ALA  25  38.211  -0.942   8.551
  170    HB3  ALA  25           HB3      ALA  25  38.940  -2.094   7.433
  171    HA   PRO  26           HA       PRO  26  41.047  -2.237   4.092
  172    HB2  PRO  26           HB2      PRO  26  39.114  -2.543   1.847
  173    HB3  PRO  26           HB1      PRO  26  40.270  -3.711   2.509
  174    HG2  PRO  26           HG2      PRO  26  37.689  -3.958   2.996
  175    HG3  PRO  26           HG1      PRO  26  38.886  -4.285   4.265
  176    HD2  PRO  26           HD2      PRO  26  37.156  -1.857   3.887
  177    HD3  PRO  26           HD1      PRO  26  37.574  -2.714   5.387
  178    H    VAL  27           HN       VAL  27  38.814   0.274   2.992
  179    HA   VAL  27           HA       VAL  27  40.342   1.114   0.734
  180    HB   VAL  27           HB       VAL  27  38.292   2.529   2.448
  181   HG11  VAL  27          HG11      VAL  27  39.959   3.473   0.132
  182   HG12  VAL  27          HG12      VAL  27  39.456   4.356   1.574
  183   HG13  VAL  27          HG13      VAL  27  38.296   4.040   0.284
  184   HG21  VAL  27          HG21      VAL  27  38.071   1.700  -0.440
  185   HG22  VAL  27          HG22      VAL  27  36.780   1.983   0.728
  186   HG23  VAL  27          HG23      VAL  27  37.775   0.532   0.847
  187    H    LEU  28           HN       LEU  28  40.215   2.141   4.124
  188    HA   LEU  28           HA       LEU  28  42.116   4.224   3.921
  189    HB2  LEU  28           HB2      LEU  28  41.271   2.490   6.253
  190    HB3  LEU  28           HB1      LEU  28  42.332   3.886   6.414
  191    HG   LEU  28           HG       LEU  28  39.553   3.997   5.198
  192   HD11  LEU  28          HD11      LEU  28  40.440   4.861   7.964
  193   HD12  LEU  28          HD12      LEU  28  39.553   3.375   7.623
  194   HD13  LEU  28          HD13      LEU  28  38.804   4.942   7.306
  195   HD21  LEU  28          HD21      LEU  28  40.299   6.017   4.486
  196   HD22  LEU  28          HD22      LEU  28  41.762   5.915   5.464
  197   HD23  LEU  28          HD23      LEU  28  40.263   6.502   6.178
  198    H    GLN  29           HN       GLN  29  42.399   0.775   4.657
  199    HA   GLN  29           HA       GLN  29  45.174   0.761   5.250
  200    HB2  GLN  29           HB2      GLN  29  43.397  -1.439   4.169
  201    HB3  GLN  29           HB1      GLN  29  45.021  -1.676   4.813
  202    HG2  GLN  29           HG2      GLN  29  42.721  -0.463   6.369
  203    HG3  GLN  29           HG1      GLN  29  43.230  -2.145   6.492
  204   HE21  GLN  29          HE21      GLN  29  43.505   0.653   8.159
  205   HE22  GLN  29          HE22      GLN  29  45.052   0.449   8.830
  206    H    GLU  30           HN       GLU  30  43.395   0.281   2.181
  207    HA   GLU  30           HA       GLU  30  45.688  -0.437   0.647
  208    HB2  GLU  30           HB2      GLU  30  43.363  -0.854  -0.132
  209    HB3  GLU  30           HB1      GLU  30  43.133   0.884  -0.317
  210    HG2  GLU  30           HG2      GLU  30  44.972   0.966  -1.958
  211    HG3  GLU  30           HG1      GLU  30  45.236  -0.763  -1.755
  212    H    ILE  31           HN       ILE  31  44.154   2.690   1.380
  213    HA   ILE  31           HA       ILE  31  45.725   4.196  -0.417
  214    HB   ILE  31           HB       ILE  31  44.266   4.947   2.116
  215   HG12  ILE  31          HG12      ILE  31  43.629   5.529  -0.792
  216   HG13  ILE  31          HG11      ILE  31  43.004   4.119   0.060
  217   HG21  ILE  31          HG21      ILE  31  44.496   7.284   0.889
  218   HG22  ILE  31          HG22      ILE  31  45.948   6.544   0.220
  219   HG23  ILE  31          HG23      ILE  31  45.770   6.715   1.967
  220   HD11  ILE  31          HD11      ILE  31  41.758   5.444   1.574
  221   HD12  ILE  31          HD12      ILE  31  41.513   6.224   0.011
  222   HD13  ILE  31          HD13      ILE  31  42.658   6.905   1.166
  223    H    TYR  32           HN       TYR  32  46.212   3.391   3.047
  224    HA   TYR  32           HA       TYR  32  48.529   4.973   3.375
  225    HB2  TYR  32           HB2      TYR  32  47.367   2.627   4.825
  226    HB3  TYR  32           HB1      TYR  32  49.017   3.130   5.197
  227    HD1  TYR  32           HD2      TYR  32  45.828   4.939   4.374
  228    HD2  TYR  32           HD1      TYR  32  49.129   4.507   7.081
  229    HE1  TYR  32           HE2      TYR  32  44.958   6.816   5.730
  230    HE2  TYR  32           HE1      TYR  32  48.260   6.398   8.435
  231    HH   TYR  32           HH       TYR  32  46.337   7.637   8.834
  232    H    LEU  33           HN       LEU  33  48.191   1.551   2.411
  233    HA   LEU  33           HA       LEU  33  50.979   1.034   2.220
  234    HB2  LEU  33           HB2      LEU  33  48.522  -0.278   1.115
  235    HB3  LEU  33           HB1      LEU  33  50.104  -0.773   0.531
  236    HG   LEU  33           HG       LEU  33  49.097  -2.070   2.533
  237   HD11  LEU  33          HD11      LEU  33  51.824  -1.168   2.014
  238   HD12  LEU  33          HD12      LEU  33  51.237  -2.766   2.474
  239   HD13  LEU  33          HD13      LEU  33  51.567  -1.557   3.713
  240   HD21  LEU  33          HD21      LEU  33  50.248   0.188   4.180
  241   HD22  LEU  33          HD22      LEU  33  49.226  -1.147   4.698
  242   HD23  LEU  33          HD23      LEU  33  48.543   0.158   3.746
  243    H    SER  34           HN       SER  34  48.613   2.203  -0.152
  244    HA   SER  34           HA       SER  34  50.336   2.183  -2.398
  245    HB2  SER  34           HB2      SER  34  47.954   3.958  -1.799
  246    HB3  SER  34           HB1      SER  34  48.739   3.813  -3.369
  247    HG   SER  34           HG       SER  34  48.187   1.377  -2.384
  248    H    GLY  35           HN       GLY  35  49.639   4.649   0.066
  249    HA2  GLY  35           HA2      GLY  35  51.159   6.722  -1.110
  250    HA3  GLY  35           HA1      GLY  35  50.669   6.627   0.578
  251    H    LEU  36           HN       LEU  36  52.033   4.177   1.230
  252    HA   LEU  36           HA       LEU  36  54.559   5.174   1.956
  253    HB2  LEU  36           HB2      LEU  36  53.411   3.391   3.183
  254    HB3  LEU  36           HB1      LEU  36  53.568   2.319   1.794
  255    HG   LEU  36           HG       LEU  36  56.033   2.424   1.989
  256   HD11  LEU  36          HD11      LEU  36  56.675   3.414   4.409
  257   HD12  LEU  36          HD12      LEU  36  55.323   4.479   4.028
  258   HD13  LEU  36          HD13      LEU  36  56.717   4.399   2.947
  259   HD21  LEU  36          HD21      LEU  36  56.134   0.860   3.687
  260   HD22  LEU  36          HD22      LEU  36  54.389   0.907   3.446
  261   HD23  LEU  36          HD23      LEU  36  55.120   1.813   4.769
  262    H    ARG  37           HN       ARG  37  53.621   2.941  -0.697
  263    HA   ARG  37           HA       ARG  37  56.285   2.479  -1.559
  264    HB2  ARG  37           HB2      ARG  37  53.651   2.284  -3.021
  265    HB3  ARG  37           HB1      ARG  37  55.192   1.869  -3.768
  266    HG2  ARG  37           HG2      ARG  37  55.596   0.205  -1.956
  267    HG3  ARG  37           HG1      ARG  37  54.017   0.601  -1.270
  268    HD2  ARG  37           HD2      ARG  37  54.422  -0.374  -4.107
  269    HD3  ARG  37           HD1      ARG  37  53.997  -1.430  -2.767
  270    HE   ARG  37           HE       ARG  37  52.258   0.491  -4.092
  271   HH11  ARG  37          HH21      ARG  37  52.890  -1.505  -1.336
  272   HH12  ARG  37          HH22      ARG  37  51.227  -1.605  -0.856
  273   HH21  ARG  37          HH11      ARG  37  50.082   0.363  -3.474
  274   HH22  ARG  37          HH12      ARG  37  49.636  -0.551  -2.072
  275    H    SER  38           HN       SER  38  53.873   4.912  -2.420
  276    HA   SER  38           HA       SER  38  55.424   6.163  -4.476
  277    HB2  SER  38           HB2      SER  38  53.135   7.301  -2.867
  278    HB3  SER  38           HB1      SER  38  53.729   7.899  -4.414
  279    HG   SER  38           HG       SER  38  51.941   6.568  -4.749
  280    H    TRP  39           HN       TRP  39  54.983   6.660  -1.018
  281    HA   TRP  39           HA       TRP  39  56.174   9.184  -0.803
  282    HB2  TRP  39           HB2      TRP  39  54.801   8.114   0.957
  283    HB3  TRP  39           HB1      TRP  39  56.124   7.000   1.286
  284    HD1  TRP  39           HD1      TRP  39  56.130  10.857   0.756
  285    HE1  TRP  39           HE1      TRP  39  57.342  11.933   2.748
  286    HE3  TRP  39           HE3      TRP  39  57.114   6.691   3.568
  287    HZ2  TRP  39           HZ2      TRP  39  58.552  11.155   5.211
  288    HZ3  TRP  39           HZ3      TRP  39  58.287   6.898   5.738
  289    HH2  TRP  39           HH2      TRP  39  59.009   9.122   6.563
  290    H    LYS  40           HN       LYS  40  57.684   5.948  -0.768
  291    HA   LYS  40           HA       LYS  40  60.228   6.767   0.108
  292    HB2  LYS  40           HB2      LYS  40  59.395   4.517  -1.717
  293    HB3  LYS  40           HB1      LYS  40  61.037   4.731  -1.111
  294    HG2  LYS  40           HG2      LYS  40  60.214   4.607   1.206
  295    HG3  LYS  40           HG1      LYS  40  58.561   4.420   0.613
  296    HD2  LYS  40           HD2      LYS  40  59.179   2.327  -0.516
  297    HD3  LYS  40           HD1      LYS  40  60.849   2.513   0.027
  298    HE2  LYS  40           HE2      LYS  40  60.094   2.432   2.376
  299    HE3  LYS  40           HE1      LYS  40  58.429   2.237   1.836
  300    HZ1  LYS  40           HZ1      LYS  40  60.540   0.298   1.982
  301    HZ2  LYS  40           HZ2      LYS  40  59.767   0.315   0.470
  302    HZ3  LYS  40           HZ3      LYS  40  58.863   0.065   1.886
  303    H    ARG  41           HN       ARG  41  58.848   6.617  -3.193
  304    HA   ARG  41           HA       ARG  41  61.229   7.352  -4.524
  305    HB2  ARG  41           HB2      ARG  41  58.316   7.660  -5.286
  306    HB3  ARG  41           HB1      ARG  41  59.654   8.038  -6.370
  307    HG2  ARG  41           HG2      ARG  41  60.482   5.752  -6.226
  308    HG3  ARG  41           HG1      ARG  41  59.252   5.350  -5.029
  309    HD2  ARG  41           HD2      ARG  41  58.549   4.543  -7.225
  310    HD3  ARG  41           HD1      ARG  41  57.484   5.843  -6.701
  311    HE   ARG  41           HE       ARG  41  59.624   6.866  -8.289
  312   HH11  ARG  41          HH21      ARG  41  56.661   5.079  -8.422
  313   HH12  ARG  41          HH22      ARG  41  56.283   5.559 -10.043
  314   HH21  ARG  41          HH11      ARG  41  59.127   7.498 -10.422
  315   HH22  ARG  41          HH12      ARG  41  57.673   6.927 -11.171
  316    H    HIS  42           HN       HIS  42  58.658   9.166  -3.075
  317    HA   HIS  42           HA       HIS  42  59.610  11.758  -3.980
  318    HB2  HIS  42           HB2      HIS  42  57.418  10.934  -2.062
  319    HB3  HIS  42           HB1      HIS  42  57.795  12.611  -2.459
  320    HD2  HIS  42           HD2      HIS  42  57.060  13.413  -5.086
  321    HE1  HIS  42           HE1      HIS  42  55.173   9.784  -6.147
  322    HE2  HIS  42           HE2      HIS  42  55.563  12.196  -6.850
  323    H    LEU  43           HN       LEU  43  59.849   9.750  -1.152
  324    HA   LEU  43           HA       LEU  43  60.992  11.772   0.574
  325    HB2  LEU  43           HB2      LEU  43  59.538   9.902   1.399
  326    HB3  LEU  43           HB1      LEU  43  60.803   8.780   0.940
  327    HG   LEU  43           HG       LEU  43  62.360   9.907   2.515
  328   HD11  LEU  43          HD11      LEU  43  60.724  11.278   4.251
  329   HD12  LEU  43          HD12      LEU  43  60.103  11.779   2.684
  330   HD13  LEU  43          HD13      LEU  43  61.800  12.027   3.079
  331   HD21  LEU  43          HD21      LEU  43  60.884   9.302   4.621
  332   HD22  LEU  43          HD22      LEU  43  61.441   8.044   3.515
  333   HD23  LEU  43          HD23      LEU  43  59.796   8.665   3.389
  334    H    SER  44           HN       SER  44  62.263   9.672  -1.848
  335    HA   SER  44           HA       SER  44  64.702   8.917  -0.724
  336    HB2  SER  44           HB2      SER  44  64.124   7.932  -2.780
  337    HB3  SER  44           HB1      SER  44  63.872   9.491  -3.557
  338    HG   SER  44           HG       SER  44  66.352   8.527  -2.557
  339    H    ARG  45           HN       ARG  45  64.035  11.973  -2.577
  340    HA   ARG  45           HA       ARG  45  66.690  12.836  -2.557
  341    HB2  ARG  45           HB2      ARG  45  64.873  13.861  -3.903
  342    HB3  ARG  45           HB1      ARG  45  64.203  14.557  -2.429
  343    HG2  ARG  45           HG2      ARG  45  66.254  15.834  -2.060
  344    HG3  ARG  45           HG1      ARG  45  66.995  15.095  -3.482
  345    HD2  ARG  45           HD2      ARG  45  66.130  17.290  -4.102
  346    HD3  ARG  45           HD1      ARG  45  65.153  16.050  -4.879
  347    HE   ARG  45           HE       ARG  45  63.358  16.648  -3.506
  348   HH11  ARG  45          HH21      ARG  45  66.314  18.145  -2.544
  349   HH12  ARG  45          HH22      ARG  45  65.561  19.269  -1.463
  350   HH21  ARG  45          HH11      ARG  45  62.354  18.114  -2.080
  351   HH22  ARG  45          HH12      ARG  45  63.320  19.247  -1.196
  352    H    PHE  46           HN       PHE  46  64.102  13.503  -0.268
  353    HA   PHE  46           HA       PHE  46  65.583  15.124   1.532
  354    HB2  PHE  46           HB2      PHE  46  63.078  13.489   1.870
  355    HB3  PHE  46           HB1      PHE  46  63.727  14.525   3.138
  356    HD1  PHE  46           HD2      PHE  46  63.776  16.969   2.871
  357    HD2  PHE  46           HD1      PHE  46  62.100  14.413  -0.150
  358    HE1  PHE  46           HE2      PHE  46  62.673  18.928   1.824
  359    HE2  PHE  46           HE1      PHE  46  61.003  16.373  -1.198
  360    HZ   PHE  46           HZ       PHE  46  61.292  18.627  -0.216
  361    H    TRP  47           HN       TRP  47  64.960  11.649   1.408
  362    HA   TRP  47           HA       TRP  47  66.061  11.003   3.936
  363    HB2  TRP  47           HB2      TRP  47  64.613   9.426   2.885
  364    HB3  TRP  47           HB1      TRP  47  65.618   9.362   1.440
  365    HD1  TRP  47           HD1      TRP  47  65.561   8.274   5.111
  366    HE1  TRP  47           HE1      TRP  47  67.265   6.361   5.427
  367    HE3  TRP  47           HE3      TRP  47  67.765   8.273   0.501
  368    HZ2  TRP  47           HZ2      TRP  47  69.282   5.005   3.926
  369    HZ3  TRP  47           HZ3      TRP  47  69.576   6.658  -0.028
  370    HH2  TRP  47           HH2      TRP  47  70.339   5.032   1.681
  371    H    ASN  48           HN       ASN  48  67.444  11.135   0.691
  372    HA   ASN  48           HA       ASN  48  69.970  10.046   1.320
  373    HB2  ASN  48           HB2      ASN  48  69.172  10.266  -0.981
  374    HB3  ASN  48           HB1      ASN  48  69.182  12.021  -0.835
  375   HD21  ASN  48          HD21      ASN  48  70.856  12.462  -2.364
  376   HD22  ASN  48          HD22      ASN  48  72.455  11.926  -2.160
  377    H    ASP  49           HN       ASP  49  68.721  13.355   1.360
  378    HA   ASP  49           HA       ASP  49  71.199  14.622   1.990
  379    HB2  ASP  49           HB2      ASP  49  68.302  15.423   2.179
  380    HB3  ASP  49           HB1      ASP  49  69.577  16.471   2.797
  381    H    PHE  50           HN       PHE  50  72.096  15.151   3.944
  382    HA   PHE  50           HA       PHE  50  70.659  14.810   6.421
  383    HB2  PHE  50           HB2      PHE  50  71.181  12.474   5.958
  384    HB3  PHE  50           HB1      PHE  50  72.877  12.880   5.710
  385    HD1  PHE  50           HD1      PHE  50  70.143  13.100   8.265
  386    HD2  PHE  50           HD2      PHE  50  74.369  12.888   7.516
  387    HE1  PHE  50           HE1      PHE  50  70.567  12.877  10.701
  388    HE2  PHE  50           HE2      PHE  50  74.791  12.674   9.948
  389    HZ   PHE  50           HZ       PHE  50  72.892  12.660  11.542
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1  32.470  25.538  20.152
    2    H2   MET   1           HT2      MET   1  32.591  24.498  18.813
    3    H3   MET   1           HT3      MET   1  32.535  26.181  18.587
    4    HA   MET   1           HA       MET   1  34.719  24.713  19.956
    5    HB2  MET   1           HB2      MET   1  34.479  25.936  17.195
    6    HB3  MET   1           HB1      MET   1  36.014  25.453  17.915
    7    HG2  MET   1           HG2      MET   1  35.170  23.140  18.154
    8    HG3  MET   1           HG1      MET   1  33.643  23.626  17.411
    9    HE1  MET   1           HE1      MET   1  33.654  22.085  15.241
   10    HE2  MET   1           HE2      MET   1  34.802  21.336  16.350
   11    HE3  MET   1           HE3      MET   1  35.216  21.511  14.646
   12    H    ALA   2           HN       ALA   2  35.461  27.417  18.032
   13    HA   ALA   2           HA       ALA   2  36.444  28.964  20.200
   14    HB1  ALA   2           HB1      ALA   2  37.364  29.117  17.914
   15    HB2  ALA   2           HB2      ALA   2  36.835  30.694  18.495
   16    HB3  ALA   2           HB3      ALA   2  35.840  29.804  17.344
   17    H    GLU   3           HN       GLU   3  33.473  29.072  18.307
   18    HA   GLU   3           HA       GLU   3  32.476  31.531  19.305
   19    HB2  GLU   3           HB2      GLU   3  31.063  29.104  18.160
   20    HB3  GLU   3           HB1      GLU   3  30.267  30.631  18.524
   21    HG2  GLU   3           HG2      GLU   3  30.763  30.854  16.238
   22    HG3  GLU   3           HG1      GLU   3  32.094  31.700  17.013
   23    H    ALA   4           HN       ALA   4  32.125  28.172  20.331
   24    HA   ALA   4           HA       ALA   4  31.509  28.996  23.049
   25    HB1  ALA   4           HB1      ALA   4  29.521  27.354  21.470
   26    HB2  ALA   4           HB2      ALA   4  29.306  29.047  21.912
   27    HB3  ALA   4           HB3      ALA   4  29.378  27.810  23.169
   28    H    HIS   5           HN       HIS   5  31.677  27.271  24.579
   29    HA   HIS   5           HA       HIS   5  33.591  25.272  23.939
   30    HB2  HIS   5           HB2      HIS   5  33.303  26.237  26.186
   31    HB3  HIS   5           HB1      HIS   5  31.717  25.474  26.305
   32    HD2  HIS   5           HD2      HIS   5  31.876  22.926  27.411
   33    HE1  HIS   5           HE1      HIS   5  35.952  22.208  26.562
   34    HE2  HIS   5           HE2      HIS   5  33.883  21.273  27.703
   35    H    GLN   6           HN       GLN   6  30.081  25.193  24.417
   36    HA   GLN   6           HA       GLN   6  29.744  22.392  24.188
   37    HB2  GLN   6           HB2      GLN   6  28.075  23.908  25.187
   38    HB3  GLN   6           HB1      GLN   6  27.759  24.599  23.596
   39    HG2  GLN   6           HG2      GLN   6  27.073  22.367  22.769
   40    HG3  GLN   6           HG1      GLN   6  27.383  21.688  24.365
   41   HE21  GLN   6          HE21      GLN   6  25.508  21.468  25.559
   42   HE22  GLN   6          HE22      GLN   6  24.148  22.479  25.454
   43    H    ALA   7           HN       ALA   7  29.686  25.016  21.836
   44    HA   ALA   7           HA       ALA   7  29.905  25.007  19.551
   45    HB1  ALA   7           HB1      ALA   7  31.580  23.113  20.248
   46    HB2  ALA   7           HB2      ALA   7  31.105  23.272  18.556
   47    HB3  ALA   7           HB3      ALA   7  30.357  22.039  19.572
   48    H    VAL   8           HN       VAL   8  28.132  25.296  18.373
   49    HA   VAL   8           HA       VAL   8  26.165  23.100  18.174
   50    HB   VAL   8           HB       VAL   8  25.131  24.699  19.617
   51   HG11  VAL   8          HG11      VAL   8  26.670  26.573  19.209
   52   HG12  VAL   8          HG12      VAL   8  24.997  27.101  19.027
   53   HG13  VAL   8          HG13      VAL   8  25.986  26.796  17.600
   54   HG21  VAL   8          HG21      VAL   8  23.993  23.918  17.329
   55   HG22  VAL   8          HG22      VAL   8  24.022  25.653  17.012
   56   HG23  VAL   8          HG23      VAL   8  23.181  25.028  18.431
   57    H    GLY   9           HN       GLY   9  25.520  22.629  16.142
   58    HA2  GLY   9           HA2      GLY   9  25.121  22.918  13.866
   59    HA3  GLY   9           HA1      GLY   9  25.772  24.549  13.988
   60    H    PHE  10           HN       PHE  10  27.852  22.367  15.465
   61    HA   PHE  10           HA       PHE  10  29.433  21.985  12.996
   62    HB2  PHE  10           HB2      PHE  10  30.431  22.940  15.690
   63    HB3  PHE  10           HB1      PHE  10  31.471  22.473  14.344
   64    HD1  PHE  10           HD2      PHE  10  31.419  23.763  12.213
   65    HD2  PHE  10           HD1      PHE  10  29.282  25.059  15.698
   66    HE1  PHE  10           HE2      PHE  10  31.192  26.025  11.222
   67    HE2  PHE  10           HE1      PHE  10  29.053  27.327  14.705
   68    HZ   PHE  10           HZ       PHE  10  30.006  27.805  12.468
   69    H    ARG  11           HN       ARG  11  30.755  20.131  12.948
   70    HA   ARG  11           HA       ARG  11  30.881  18.352  15.199
   71    HB2  ARG  11           HB2      ARG  11  28.708  18.124  13.311
   72    HB3  ARG  11           HB1      ARG  11  29.712  16.674  13.262
   73    HG2  ARG  11           HG2      ARG  11  29.546  16.561  15.772
   74    HG3  ARG  11           HG1      ARG  11  28.397  17.901  15.700
   75    HD2  ARG  11           HD2      ARG  11  27.089  16.483  14.021
   76    HD3  ARG  11           HD1      ARG  11  28.113  15.139  14.514
   77    HE   ARG  11           HE       ARG  11  26.932  16.429  16.776
   78   HH11  ARG  11          HH21      ARG  11  26.326  14.251  14.149
   79   HH12  ARG  11          HH22      ARG  11  25.064  13.393  14.968
   80   HH21  ARG  11          HH11      ARG  11  25.281  15.303  17.858
   81   HH22  ARG  11          HH12      ARG  11  24.483  13.980  17.076
   82    HA   PRO  12           HA       PRO  12  34.468  16.764  13.148
   83    HB2  PRO  12           HB2      PRO  12  33.320  14.013  13.030
   84    HB3  PRO  12           HB1      PRO  12  34.851  14.565  13.734
   85    HG2  PRO  12           HG2      PRO  12  32.798  13.899  15.278
   86    HG3  PRO  12           HG1      PRO  12  33.863  15.254  15.691
   87    HD2  PRO  12           HD2      PRO  12  31.087  15.314  14.578
   88    HD3  PRO  12           HD1      PRO  12  31.876  16.416  15.730
   89    H    SER  13           HN       SER  13  31.440  15.436  11.838
   90    HA   SER  13           HA       SER  13  32.412  14.765   9.265
   91    HB2  SER  13           HB2      SER  13  30.025  14.743   8.624
   92    HB3  SER  13           HB1      SER  13  30.313  13.866  10.123
   93    HG   SER  13           HG       SER  13  28.897  15.181  10.948
   94    H    LEU  14           HN       LEU  14  31.010  17.711  10.607
   95    HA   LEU  14           HA       LEU  14  30.691  19.130   8.187
   96    HB2  LEU  14           HB2      LEU  14  30.958  19.926  11.070
   97    HB3  LEU  14           HB1      LEU  14  30.957  21.165   9.819
   98    HG   LEU  14           HG       LEU  14  28.678  20.656  10.778
   99   HD11  LEU  14          HD11      LEU  14  28.308  19.782   8.007
  100   HD12  LEU  14          HD12      LEU  14  29.382  21.172   8.149
  101   HD13  LEU  14          HD13      LEU  14  27.749  21.248   8.808
  102   HD21  LEU  14          HD21      LEU  14  27.628  18.572  10.417
  103   HD22  LEU  14          HD22      LEU  14  29.264  18.133  10.909
  104   HD23  LEU  14          HD23      LEU  14  28.812  18.085   9.205
  105    H    THR  15           HN       THR  15  33.434  18.899  10.444
  106    HA   THR  15           HA       THR  15  35.066  20.806   9.117
  107    HB   THR  15           HB       THR  15  36.926  19.716  10.363
  108    HG1  THR  15           HG1      THR  15  35.437  18.138  11.900
  109   HG21  THR  15          HG21      THR  15  34.351  20.476  11.711
  110   HG22  THR  15          HG22      THR  15  35.845  21.402  11.564
  111   HG23  THR  15          HG23      THR  15  35.768  20.022  12.659
  112    H    SER  16           HN       SER  16  34.508  17.377   8.678
  113    HA   SER  16           HA       SER  16  36.662  17.100   6.743
  114    HB2  SER  16           HB2      SER  16  34.524  15.156   7.648
  115    HB3  SER  16           HB1      SER  16  35.870  14.763   6.582
  116    HG   SER  16           HG       SER  16  37.049  14.566   8.302
  117    H    ASP  17           HN       ASP  17  33.532  18.252   6.704
  118    HA   ASP  17           HA       ASP  17  32.007  18.699   5.057
  119    HB2  ASP  17           HB2      ASP  17  34.533  18.469   3.414
  120    HB3  ASP  17           HB1      ASP  17  32.982  18.964   2.738
  121    H    GLY  18           HN       GLY  18  32.357  15.933   5.892
  122    HA2  GLY  18           HA2      GLY  18  31.259  13.965   5.322
  123    HA3  GLY  18           HA1      GLY  18  30.895  14.659   3.746
  124    H    ALA  19           HN       ALA  19  34.128  15.117   4.224
  125    HA   ALA  19           HA       ALA  19  34.914  13.226   2.264
  126    HB1  ALA  19           HB1      ALA  19  36.702  14.547   4.305
  127    HB2  ALA  19           HB2      ALA  19  36.098  15.377   2.871
  128    HB3  ALA  19           HB3      ALA  19  37.148  13.971   2.699
  129    H    GLU  20           HN       GLU  20  35.001  13.254   5.782
  130    HA   GLU  20           HA       GLU  20  36.496  10.847   6.080
  131    HB2  GLU  20           HB2      GLU  20  36.295  12.546   7.876
  132    HB3  GLU  20           HB1      GLU  20  34.576  12.181   8.015
  133    HG2  GLU  20           HG2      GLU  20  35.105   9.858   8.626
  134    HG3  GLU  20           HG1      GLU  20  36.826  10.196   8.451
  135    H    VAL  21           HN       VAL  21  35.830   8.759   6.222
  136    HA   VAL  21           HA       VAL  21  32.937   8.212   5.898
  137    HB   VAL  21           HB       VAL  21  35.326   6.859   4.640
  138   HG11  VAL  21          HG11      VAL  21  33.483   5.338   3.669
  139   HG12  VAL  21          HG12      VAL  21  32.485   5.907   5.009
  140   HG13  VAL  21          HG13      VAL  21  33.985   5.042   5.333
  141   HG21  VAL  21          HG21      VAL  21  32.893   7.566   3.107
  142   HG22  VAL  21          HG22      VAL  21  34.591   7.783   2.685
  143   HG23  VAL  21          HG23      VAL  21  33.793   8.940   3.751
  144    H    GLU  22           HN       GLU  22  32.050   6.897   7.372
  145    HA   GLU  22           HA       GLU  22  33.526   6.088   9.656
  146    HB2  GLU  22           HB2      GLU  22  30.741   5.393   8.715
  147    HB3  GLU  22           HB1      GLU  22  31.402   4.894  10.272
  148    HG2  GLU  22           HG2      GLU  22  31.778   7.222  10.899
  149    HG3  GLU  22           HG1      GLU  22  31.219   7.763   9.319
  150    H    LEU  23           HN       LEU  23  32.231   4.254   6.891
  151    HA   LEU  23           HA       LEU  23  33.793   1.918   7.817
  152    HB2  LEU  23           HB2      LEU  23  31.308   1.624   7.797
  153    HB3  LEU  23           HB1      LEU  23  31.331   1.917   6.061
  154    HG   LEU  23           HG       LEU  23  32.865  -0.020   5.772
  155   HD11  LEU  23          HD11      LEU  23  34.054  -0.416   7.699
  156   HD12  LEU  23          HD12      LEU  23  32.734  -1.550   7.988
  157   HD13  LEU  23          HD13      LEU  23  32.714   0.040   8.750
  158   HD21  LEU  23          HD21      LEU  23  31.182  -1.722   6.090
  159   HD22  LEU  23          HD22      LEU  23  30.341  -0.225   5.688
  160   HD23  LEU  23          HD23      LEU  23  30.399  -0.784   7.360
  161    H    SER  24           HN       SER  24  35.431   1.307   6.588
  162    HA   SER  24           HA       SER  24  35.617   0.788   3.956
  163    HB2  SER  24           HB2      SER  24  35.065   2.830   3.029
  164    HB3  SER  24           HB1      SER  24  35.689   3.742   4.399
  165    HG   SER  24           HG       SER  24  36.868   3.514   2.183
  166    H    ALA  25           HN       ALA  25  36.816   0.689   6.763
  167    HA   ALA  25           HA       ALA  25  39.402   1.565   6.882
  168    HB1  ALA  25           HB1      ALA  25  37.828  -0.355   8.269
  169    HB2  ALA  25           HB2      ALA  25  39.297   0.457   8.810
  170    HB3  ALA  25           HB3      ALA  25  39.406  -1.075   7.945
  171    HA   PRO  26           HA       PRO  26  40.911  -2.575   4.732
  172    HB2  PRO  26           HB2      PRO  26  38.665  -2.841   2.799
  173    HB3  PRO  26           HB1      PRO  26  39.596  -4.103   3.628
  174    HG2  PRO  26           HG2      PRO  26  37.102  -3.507   4.358
  175    HG3  PRO  26           HG1      PRO  26  38.337  -3.959   5.546
  176    HD2  PRO  26           HD2      PRO  26  37.205  -1.255   4.944
  177    HD3  PRO  26           HD1      PRO  26  37.784  -1.920   6.485
  178    H    VAL  27           HN       VAL  27  38.836  -0.342   2.839
  179    HA   VAL  27           HA       VAL  27  40.605  -0.194   0.598
  180    HB   VAL  27           HB       VAL  27  38.434   1.688   1.555
  181   HG11  VAL  27          HG11      VAL  27  40.243   1.716  -0.855
  182   HG12  VAL  27          HG12      VAL  27  39.778   3.055   0.196
  183   HG13  VAL  27          HG13      VAL  27  38.616   2.392  -0.952
  184   HG21  VAL  27          HG21      VAL  27  37.054   0.639  -0.092
  185   HG22  VAL  27          HG22      VAL  27  37.835  -0.680   0.781
  186   HG23  VAL  27          HG23      VAL  27  38.428  -0.202  -0.811
  187    H    LEU  28           HN       LEU  28  40.091   1.768   3.491
  188    HA   LEU  28           HA       LEU  28  41.914   3.824   2.871
  189    HB2  LEU  28           HB2      LEU  28  40.933   2.765   5.526
  190    HB3  LEU  28           HB1      LEU  28  41.959   4.190   5.382
  191    HG   LEU  28           HG       LEU  28  39.315   3.855   3.940
  192   HD11  LEU  28          HD11      LEU  28  38.732   5.740   5.720
  193   HD12  LEU  28          HD12      LEU  28  39.987   4.923   6.653
  194   HD13  LEU  28          HD13      LEU  28  38.562   4.032   6.121
  195   HD21  LEU  28          HD21      LEU  28  39.727   6.513   4.094
  196   HD22  LEU  28          HD22      LEU  28  40.326   5.541   2.753
  197   HD23  LEU  28          HD23      LEU  28  41.406   5.982   4.073
  198    H    GLN  29           HN       GLN  29  42.372   0.751   4.591
  199    HA   GLN  29           HA       GLN  29  45.054   1.220   5.353
  200    HB2  GLN  29           HB2      GLN  29  43.595  -0.564   6.299
  201    HB3  GLN  29           HB1      GLN  29  43.720  -1.434   4.772
  202    HG2  GLN  29           HG2      GLN  29  46.179  -1.539   5.037
  203    HG3  GLN  29           HG1      GLN  29  46.045  -0.689   6.574
  204   HE21  GLN  29          HE21      GLN  29  46.027  -2.055   8.341
  205   HE22  GLN  29          HE22      GLN  29  45.475  -3.661   8.335
  206    H    GLU  30           HN       GLU  30  43.638  -0.272   2.439
  207    HA   GLU  30           HA       GLU  30  46.102  -1.084   1.281
  208    HB2  GLU  30           HB2      GLU  30  43.872  -1.941   0.565
  209    HB3  GLU  30           HB1      GLU  30  43.504  -0.352  -0.103
  210    HG2  GLU  30           HG2      GLU  30  45.383  -0.518  -1.639
  211    HG3  GLU  30           HG1      GLU  30  45.854  -2.066  -0.936
  212    H    ILE  31           HN       ILE  31  44.169   1.919   1.021
  213    HA   ILE  31           HA       ILE  31  45.812   3.140  -0.957
  214    HB   ILE  31           HB       ILE  31  44.011   4.339   1.154
  215   HG12  ILE  31          HG12      ILE  31  43.630   4.105  -1.844
  216   HG13  ILE  31          HG11      ILE  31  43.040   2.890  -0.711
  217   HG21  ILE  31          HG21      ILE  31  44.165   6.349  -0.467
  218   HG22  ILE  31          HG22      ILE  31  45.633   5.581  -1.073
  219   HG23  ILE  31          HG23      ILE  31  45.527   6.075   0.616
  220   HD11  ILE  31          HD11      ILE  31  42.304   5.833  -0.627
  221   HD12  ILE  31          HD12      ILE  31  41.668   4.568   0.425
  222   HD13  ILE  31          HD13      ILE  31  41.290   4.555  -1.297
  223    H    TYR  32           HN       TYR  32  45.864   3.227   2.611
  224    HA   TYR  32           HA       TYR  32  47.954   5.097   2.885
  225    HB2  TYR  32           HB2      TYR  32  46.595   4.441   4.795
  226    HB3  TYR  32           HB1      TYR  32  47.183   2.783   4.678
  227    HD1  TYR  32           HD1      TYR  32  48.336   6.306   5.178
  228    HD2  TYR  32           HD2      TYR  32  49.189   2.139   5.771
  229    HE1  TYR  32           HE1      TYR  32  50.285   6.902   6.585
  230    HE2  TYR  32           HE2      TYR  32  51.144   2.741   7.174
  231    HH   TYR  32           HH       TYR  32  51.778   6.087   8.080
  232    H    LEU  33           HN       LEU  33  48.044   1.530   2.709
  233    HA   LEU  33           HA       LEU  33  50.832   1.253   3.009
  234    HB2  LEU  33           HB2      LEU  33  49.293  -0.651   3.249
  235    HB3  LEU  33           HB1      LEU  33  48.868  -0.540   1.544
  236    HG   LEU  33           HG       LEU  33  51.191  -1.054   0.912
  237   HD11  LEU  33          HD11      LEU  33  51.580  -0.792   3.873
  238   HD12  LEU  33          HD12      LEU  33  52.623  -0.254   2.557
  239   HD13  LEU  33          HD13      LEU  33  52.576  -1.959   3.004
  240   HD21  LEU  33          HD21      LEU  33  49.534  -2.897   1.358
  241   HD22  LEU  33          HD22      LEU  33  50.182  -3.020   2.993
  242   HD23  LEU  33          HD23      LEU  33  51.210  -3.385   1.609
  243    H    SER  34           HN       SER  34  48.797   1.646   0.115
  244    HA   SER  34           HA       SER  34  50.877   1.357  -1.798
  245    HB2  SER  34           HB2      SER  34  49.332   2.492  -3.349
  246    HB3  SER  34           HB1      SER  34  48.499   1.243  -2.427
  247    HG   SER  34           HG       SER  34  48.247   3.995  -2.372
  248    H    GLY  35           HN       GLY  35  49.741   4.050   0.173
  249    HA2  GLY  35           HA2      GLY  35  51.021   6.157  -1.193
  250    HA3  GLY  35           HA1      GLY  35  50.563   6.160   0.507
  251    H    LEU  36           HN       LEU  36  52.221   3.881   1.285
  252    HA   LEU  36           HA       LEU  36  54.616   5.280   1.843
  253    HB2  LEU  36           HB2      LEU  36  53.792   2.404   2.103
  254    HB3  LEU  36           HB1      LEU  36  55.479   2.848   2.340
  255    HG   LEU  36           HG       LEU  36  54.719   4.548   4.043
  256   HD11  LEU  36          HD11      LEU  36  52.402   4.181   4.949
  257   HD12  LEU  36          HD12      LEU  36  52.083   3.153   3.555
  258   HD13  LEU  36          HD13      LEU  36  52.427   4.866   3.322
  259   HD21  LEU  36          HD21      LEU  36  54.133   1.604   4.386
  260   HD22  LEU  36          HD22      LEU  36  53.993   2.739   5.730
  261   HD23  LEU  36          HD23      LEU  36  55.546   2.509   4.927
  262    H    ARG  37           HN       ARG  37  53.866   2.826  -0.628
  263    HA   ARG  37           HA       ARG  37  56.507   2.565  -1.586
  264    HB2  ARG  37           HB2      ARG  37  54.677   0.993  -2.137
  265    HB3  ARG  37           HB1      ARG  37  53.926   2.242  -3.132
  266    HG2  ARG  37           HG2      ARG  37  55.925   2.341  -4.556
  267    HG3  ARG  37           HG1      ARG  37  56.717   1.134  -3.543
  268    HD2  ARG  37           HD2      ARG  37  55.784   0.035  -5.509
  269    HD3  ARG  37           HD1      ARG  37  54.878  -0.464  -4.083
  270    HE   ARG  37           HE       ARG  37  53.638   1.802  -5.235
  271   HH11  ARG  37          HH21      ARG  37  54.261  -1.553  -5.850
  272   HH12  ARG  37          HH22      ARG  37  52.788  -1.807  -6.727
  273   HH21  ARG  37          HH11      ARG  37  51.709   1.472  -6.411
  274   HH22  ARG  37          HH12      ARG  37  51.355  -0.096  -7.054
  275    H    SER  38           HN       SER  38  53.861   4.726  -2.522
  276    HA   SER  38           HA       SER  38  55.267   5.984  -4.671
  277    HB2  SER  38           HB2      SER  38  53.436   7.650  -4.526
  278    HB3  SER  38           HB1      SER  38  52.828   5.997  -4.584
  279    HG   SER  38           HG       SER  38  52.625   7.881  -2.621
  280    H    TRP  39           HN       TRP  39  54.854   6.632  -1.241
  281    HA   TRP  39           HA       TRP  39  55.838   9.263  -1.155
  282    HB2  TRP  39           HB2      TRP  39  55.833   7.070   0.915
  283    HB3  TRP  39           HB1      TRP  39  56.308   8.731   1.253
  284    HD1  TRP  39           HD1      TRP  39  53.631   9.045  -1.196
  285    HE1  TRP  39           HE1      TRP  39  51.369   9.496  -0.064
  286    HE3  TRP  39           HE3      TRP  39  54.758   7.740   3.629
  287    HZ2  TRP  39           HZ2      TRP  39  50.181   9.322   2.515
  288    HZ3  TRP  39           HZ3      TRP  39  53.028   7.894   5.394
  289    HH2  TRP  39           HH2      TRP  39  50.744   8.685   4.844
  290    H    LYS  40           HN       LYS  40  57.548   6.173  -1.178
  291    HA   LYS  40           HA       LYS  40  60.034   7.057  -0.282
  292    HB2  LYS  40           HB2      LYS  40  59.448   4.689  -0.730
  293    HB3  LYS  40           HB1      LYS  40  59.520   5.028  -2.460
  294    HG2  LYS  40           HG2      LYS  40  61.872   5.684  -2.269
  295    HG3  LYS  40           HG1      LYS  40  61.822   5.439  -0.522
  296    HD2  LYS  40           HD2      LYS  40  61.300   3.044  -0.887
  297    HD3  LYS  40           HD1      LYS  40  61.387   3.301  -2.631
  298    HE2  LYS  40           HE2      LYS  40  63.733   4.021  -2.421
  299    HE3  LYS  40           HE1      LYS  40  63.657   3.783  -0.675
  300    HZ1  LYS  40           HZ1      LYS  40  62.735   1.444  -1.840
  301    HZ2  LYS  40           HZ2      LYS  40  64.203   1.676  -1.018
  302    HZ3  LYS  40           HZ3      LYS  40  64.128   1.874  -2.704
  303    H    ARG  41           HN       ARG  41  58.625   7.268  -3.611
  304    HA   ARG  41           HA       ARG  41  61.002   8.206  -4.800
  305    HB2  ARG  41           HB2      ARG  41  58.096   8.633  -5.494
  306    HB3  ARG  41           HB1      ARG  41  59.416   9.231  -6.499
  307    HG2  ARG  41           HG2      ARG  41  60.296   6.959  -6.741
  308    HG3  ARG  41           HG1      ARG  41  59.036   6.337  -5.678
  309    HD2  ARG  41           HD2      ARG  41  58.421   5.956  -8.013
  310    HD3  ARG  41           HD1      ARG  41  57.317   7.119  -7.285
  311    HE   ARG  41           HE       ARG  41  58.218   8.783  -8.667
  312   HH11  ARG  41          HH21      ARG  41  60.020   5.834  -8.835
  313   HH12  ARG  41          HH22      ARG  41  60.943   6.312 -10.221
  314   HH21  ARG  41          HH11      ARG  41  59.452   9.431 -10.478
  315   HH22  ARG  41          HH12      ARG  41  60.642   8.355 -11.133
  316    H    HIS  42           HN       HIS  42  58.352   9.811  -3.297
  317    HA   HIS  42           HA       HIS  42  59.236  12.525  -3.640
  318    HB2  HIS  42           HB2      HIS  42  57.171  11.234  -1.856
  319    HB3  HIS  42           HB1      HIS  42  57.459  12.973  -1.884
  320    HD2  HIS  42           HD2      HIS  42  56.463  14.303  -4.159
  321    HE1  HIS  42           HE1      HIS  42  54.849  10.900  -6.060
  322    HE2  HIS  42           HE2      HIS  42  54.995  13.431  -6.132
  323    H    LEU  43           HN       LEU  43  59.604  10.081  -1.196
  324    HA   LEU  43           HA       LEU  43  60.821  11.820   0.771
  325    HB2  LEU  43           HB2      LEU  43  59.407   9.683   1.212
  326    HB3  LEU  43           HB1      LEU  43  60.896   8.824   0.850
  327    HG   LEU  43           HG       LEU  43  62.056  10.216   2.597
  328   HD11  LEU  43          HD11      LEU  43  59.943  10.960   4.242
  329   HD12  LEU  43          HD12      LEU  43  59.415  11.479   2.642
  330   HD13  LEU  43          HD13      LEU  43  60.946  12.055   3.294
  331   HD21  LEU  43          HD21      LEU  43  60.768   9.047   4.528
  332   HD22  LEU  43          HD22      LEU  43  61.510   8.031   3.290
  333   HD23  LEU  43          HD23      LEU  43  59.777   8.360   3.243
  334    H    SER  44           HN       SER  44  61.931  10.331  -2.046
  335    HA   SER  44           HA       SER  44  64.385   9.242  -1.341
  336    HB2  SER  44           HB2      SER  44  63.661   8.901  -3.557
  337    HB3  SER  44           HB1      SER  44  63.434  10.624  -3.839
  338    HG   SER  44           HG       SER  44  65.847  10.625  -3.309
  339    H    ARG  45           HN       ARG  45  63.725  12.719  -2.162
  340    HA   ARG  45           HA       ARG  45  66.431  13.474  -2.032
  341    HB2  ARG  45           HB2      ARG  45  63.916  15.038  -1.461
  342    HB3  ARG  45           HB1      ARG  45  65.520  15.766  -1.456
  343    HG2  ARG  45           HG2      ARG  45  65.872  15.114  -3.780
  344    HG3  ARG  45           HG1      ARG  45  64.330  14.257  -3.806
  345    HD2  ARG  45           HD2      ARG  45  64.059  16.453  -4.851
  346    HD3  ARG  45           HD1      ARG  45  63.159  16.404  -3.338
  347    HE   ARG  45           HE       ARG  45  65.765  17.435  -2.875
  348   HH11  ARG  45          HH21      ARG  45  62.719  18.177  -4.339
  349   HH12  ARG  45          HH22      ARG  45  62.875  19.890  -4.128
  350   HH21  ARG  45          HH11      ARG  45  65.980  19.693  -2.592
  351   HH22  ARG  45          HH12      ARG  45  64.722  20.745  -3.150
  352    H    PHE  46           HN       PHE  46  63.940  13.563   0.502
  353    HA   PHE  46           HA       PHE  46  65.644  14.510   2.556
  354    HB2  PHE  46           HB2      PHE  46  63.029  12.998   2.652
  355    HB3  PHE  46           HB1      PHE  46  63.833  13.656   4.077
  356    HD1  PHE  46           HD1      PHE  46  62.053  14.473   0.963
  357    HD2  PHE  46           HD2      PHE  46  64.000  16.050   4.445
  358    HE1  PHE  46           HE1      PHE  46  61.044  16.700   0.520
  359    HE2  PHE  46           HE2      PHE  46  62.994  18.273   4.004
  360    HZ   PHE  46           HZ       PHE  46  61.512  18.597   2.045
  361    H    TRP  47           HN       TRP  47  64.684  11.287   1.529
  362    HA   TRP  47           HA       TRP  47  65.795   9.843   3.678
  363    HB2  TRP  47           HB2      TRP  47  64.241   8.717   2.269
  364    HB3  TRP  47           HB1      TRP  47  65.194   9.066   0.829
  365    HD1  TRP  47           HD1      TRP  47  66.823   7.273   0.094
  366    HE1  TRP  47           HE1      TRP  47  67.862   5.173   1.172
  367    HE3  TRP  47           HE3      TRP  47  65.013   7.730   4.850
  368    HZ2  TRP  47           HZ2      TRP  47  67.915   3.856   3.719
  369    HZ3  TRP  47           HZ3      TRP  47  65.565   6.042   6.578
  370    HH2  TRP  47           HH2      TRP  47  67.014   4.105   6.020
  371    H    ASN  48           HN       ASN  48  67.179  10.873   0.577
  372    HA   ASN  48           HA       ASN  48  69.642   9.497   0.832
  373    HB2  ASN  48           HB2      ASN  48  68.885  10.459  -1.288
  374    HB3  ASN  48           HB1      ASN  48  69.006  12.080  -0.612
  375   HD21  ASN  48          HD21      ASN  48  70.676  12.710  -2.167
  376   HD22  ASN  48          HD22      ASN  48  72.253  12.088  -2.067
  377    H    ASP  49           HN       ASP  49  68.592  12.730   1.862
  378    HA   ASP  49           HA       ASP  49  71.212  13.245   3.065
  379    HB2  ASP  49           HB2      ASP  49  70.048  15.080   1.849
  380    HB3  ASP  49           HB1      ASP  49  68.732  14.992   3.021
  381    H    PHE  50           HN       PHE  50  71.521  12.196   4.922
  382    HA   PHE  50           HA       PHE  50  69.684  11.182   6.694
  383    HB2  PHE  50           HB2      PHE  50  72.424  12.337   7.254
  384    HB3  PHE  50           HB1      PHE  50  71.496  11.387   8.416
  385    HD1  PHE  50           HD2      PHE  50  70.922   9.021   7.933
  386    HD2  PHE  50           HD1      PHE  50  73.498  11.304   5.367
  387    HE1  PHE  50           HE2      PHE  50  71.706   6.928   6.864
  388    HE2  PHE  50           HE1      PHE  50  74.280   9.213   4.291
  389    HZ   PHE  50           HZ       PHE  50  73.383   7.022   5.040
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1  18.124 -30.796  -4.522
    2    H2   MET   1           HT2      MET   1  18.899 -30.000  -5.808
    3    H3   MET   1           HT3      MET   1  17.312 -30.579  -5.996
    4    HA   MET   1           HA       MET   1  16.680 -28.513  -5.512
    5    HB2  MET   1           HB2      MET   1  17.622 -29.481  -2.796
    6    HB3  MET   1           HB1      MET   1  16.612 -28.057  -3.034
    7    HG2  MET   1           HG2      MET   1  14.897 -29.454  -4.137
    8    HG3  MET   1           HG1      MET   1  15.906 -30.878  -3.892
    9    HE1  MET   1           HE1      MET   1  13.015 -31.010  -2.931
   10    HE2  MET   1           HE2      MET   1  13.252 -31.730  -1.339
   11    HE3  MET   1           HE3      MET   1  14.265 -32.239  -2.689
   12    H    ALA   2           HN       ALA   2  19.702 -28.997  -3.660
   13    HA   ALA   2           HA       ALA   2  20.450 -26.251  -3.708
   14    HB1  ALA   2           HB1      ALA   2  21.954 -28.805  -3.153
   15    HB2  ALA   2           HB2      ALA   2  21.435 -27.563  -2.014
   16    HB3  ALA   2           HB3      ALA   2  22.752 -27.231  -3.136
   17    H    GLU   3           HN       GLU   3  21.835 -25.128  -5.047
   18    HA   GLU   3           HA       GLU   3  22.861 -26.545  -7.424
   19    HB2  GLU   3           HB2      GLU   3  21.315 -23.944  -7.368
   20    HB3  GLU   3           HB1      GLU   3  22.227 -24.518  -8.768
   21    HG2  GLU   3           HG2      GLU   3  20.873 -26.555  -8.851
   22    HG3  GLU   3           HG1      GLU   3  20.003 -26.062  -7.397
   23    H    ALA   4           HN       ALA   4  24.788 -25.760  -8.271
   24    HA   ALA   4           HA       ALA   4  26.820 -24.690  -8.278
   25    HB1  ALA   4           HB1      ALA   4  25.143 -22.669  -8.206
   26    HB2  ALA   4           HB2      ALA   4  26.861 -22.403  -7.910
   27    HB3  ALA   4           HB3      ALA   4  25.736 -22.497  -6.554
   28    H    HIS   5           HN       HIS   5  28.144 -25.955  -7.090
   29    HA   HIS   5           HA       HIS   5  27.928 -26.374  -4.295
   30    HB2  HIS   5           HB2      HIS   5  30.230 -26.799  -6.207
   31    HB3  HIS   5           HB1      HIS   5  30.238 -27.337  -4.527
   32    HD2  HIS   5           HD2      HIS   5  29.000 -28.569  -7.944
   33    HE1  HIS   5           HE1      HIS   5  27.039 -30.941  -5.059
   34    HE2  HIS   5           HE2      HIS   5  27.534 -30.687  -7.535
   35    H    GLN   6           HN       GLN   6  29.904 -24.193  -6.263
   36    HA   GLN   6           HA       GLN   6  31.412 -23.154  -4.071
   37    HB2  GLN   6           HB2      GLN   6  30.903 -22.103  -6.863
   38    HB3  GLN   6           HB1      GLN   6  32.009 -21.349  -5.717
   39    HG2  GLN   6           HG2      GLN   6  33.319 -23.409  -5.572
   40    HG3  GLN   6           HG1      GLN   6  32.191 -24.231  -6.647
   41   HE21  GLN   6          HE21      GLN   6  35.135 -22.627  -6.626
   42   HE22  GLN   6          HE22      GLN   6  35.197 -22.172  -8.260
   43    H    ALA   7           HN       ALA   7  30.991 -21.506  -2.728
   44    HA   ALA   7           HA       ALA   7  28.765 -19.688  -3.300
   45    HB1  ALA   7           HB1      ALA   7  28.852 -20.677  -0.515
   46    HB2  ALA   7           HB2      ALA   7  28.285 -21.835  -1.716
   47    HB3  ALA   7           HB3      ALA   7  27.466 -20.286  -1.532
   48    H    VAL   8           HN       VAL   8  28.894 -17.704  -2.238
   49    HA   VAL   8           HA       VAL   8  31.452 -17.176  -0.847
   50    HB   VAL   8           HB       VAL   8  29.963 -15.540  -2.896
   51   HG11  VAL   8          HG11      VAL   8  31.863 -13.865  -2.381
   52   HG12  VAL   8          HG12      VAL   8  32.019 -14.725  -0.846
   53   HG13  VAL   8          HG13      VAL   8  30.497 -13.928  -1.262
   54   HG21  VAL   8          HG21      VAL   8  31.944 -17.379  -3.208
   55   HG22  VAL   8          HG22      VAL   8  32.905 -15.929  -2.918
   56   HG23  VAL   8          HG23      VAL   8  31.759 -15.970  -4.256
   57    H    GLY   9           HN       GLY   9  31.304 -16.262   1.117
   58    HA2  GLY   9           HA2      GLY   9  28.793 -15.901   2.390
   59    HA3  GLY   9           HA1      GLY   9  30.360 -15.438   3.046
   60    H    PHE  10           HN       PHE  10  31.213 -13.553   1.192
   61    HA   PHE  10           HA       PHE  10  29.085 -11.495   1.223
   62    HB2  PHE  10           HB2      PHE  10  31.947 -11.177   2.144
   63    HB3  PHE  10           HB1      PHE  10  30.828  -9.836   1.890
   64    HD1  PHE  10           HD1      PHE  10  28.750  -9.661   3.261
   65    HD2  PHE  10           HD2      PHE  10  31.781 -12.592   4.081
   66    HE1  PHE  10           HE1      PHE  10  27.789 -10.023   5.518
   67    HE2  PHE  10           HE2      PHE  10  30.819 -12.953   6.342
   68    HZ   PHE  10           HZ       PHE  10  28.826 -11.667   7.056
   69    H    ARG  11           HN       ARG  11  29.145  -9.995  -0.435
   70    HA   ARG  11           HA       ARG  11  30.034 -10.790  -2.931
   71    HB2  ARG  11           HB2      ARG  11  30.104  -7.957  -2.935
   72    HB3  ARG  11           HB1      ARG  11  28.794  -9.006  -3.478
   73    HG2  ARG  11           HG2      ARG  11  27.836  -9.047  -1.241
   74    HG3  ARG  11           HG1      ARG  11  29.210  -8.138  -0.602
   75    HD2  ARG  11           HD2      ARG  11  27.347  -6.616  -0.963
   76    HD3  ARG  11           HD1      ARG  11  28.621  -6.257  -2.125
   77    HE   ARG  11           HE       ARG  11  26.779  -8.103  -3.254
   78   HH11  ARG  11          HH21      ARG  11  27.140  -4.800  -2.299
   79   HH12  ARG  11          HH22      ARG  11  26.014  -4.194  -3.468
   80   HH21  ARG  11          HH11      ARG  11  25.296  -7.318  -4.792
   81   HH22  ARG  11          HH12      ARG  11  24.973  -5.618  -4.880
   82    HA   PRO  12           HA       PRO  12  34.345  -9.978  -3.093
   83    HB2  PRO  12           HB2      PRO  12  34.729  -9.123  -5.630
   84    HB3  PRO  12           HB1      PRO  12  34.231 -10.783  -5.261
   85    HG2  PRO  12           HG2      PRO  12  32.549  -8.455  -6.092
   86    HG3  PRO  12           HG1      PRO  12  32.544 -10.119  -6.714
   87    HD2  PRO  12           HD2      PRO  12  30.723  -9.286  -4.883
   88    HD3  PRO  12           HD1      PRO  12  31.358 -10.947  -4.883
   89    H    SER  13           HN       SER  13  35.938  -8.369  -2.943
   90    HA   SER  13           HA       SER  13  34.977  -5.746  -2.244
   91    HB2  SER  13           HB2      SER  13  37.434  -5.299  -1.862
   92    HB3  SER  13           HB1      SER  13  36.779  -6.653  -0.941
   93    HG   SER  13           HG       SER  13  38.684  -7.310  -1.902
   94    H    LEU  14           HN       LEU  14  36.003  -3.757  -3.137
   95    HA   LEU  14           HA       LEU  14  36.266  -3.986  -6.070
   96    HB2  LEU  14           HB2      LEU  14  35.536  -1.585  -4.370
   97    HB3  LEU  14           HB1      LEU  14  35.597  -1.618  -6.134
   98    HG   LEU  14           HG       LEU  14  33.786  -3.346  -4.416
   99   HD11  LEU  14          HD11      LEU  14  33.545  -0.629  -5.268
  100   HD12  LEU  14          HD12      LEU  14  32.353  -1.614  -4.421
  101   HD13  LEU  14          HD13      LEU  14  32.387  -1.591  -6.184
  102   HD21  LEU  14          HD21      LEU  14  32.718  -3.519  -6.852
  103   HD22  LEU  14          HD22      LEU  14  34.019  -4.601  -6.352
  104   HD23  LEU  14          HD23      LEU  14  34.379  -3.192  -7.352
  105    H    THR  15           HN       THR  15  38.153  -3.490  -7.015
  106    HA   THR  15           HA       THR  15  40.226  -2.151  -5.373
  107    HB   THR  15           HB       THR  15  41.883  -3.356  -6.701
  108    HG1  THR  15           HG1      THR  15  40.791  -5.130  -8.011
  109   HG21  THR  15          HG21      THR  15  41.614  -5.423  -5.642
  110   HG22  THR  15          HG22      THR  15  39.866  -5.431  -5.893
  111   HG23  THR  15          HG23      THR  15  40.578  -4.376  -4.673
  112    H    SER  16           HN       SER  16  38.086  -1.454  -7.700
  113    HA   SER  16           HA       SER  16  39.739  -0.229  -9.696
  114    HB2  SER  16           HB2      SER  16  37.739   0.475 -10.687
  115    HB3  SER  16           HB1      SER  16  37.254  -0.997  -9.850
  116    HG   SER  16           HG       SER  16  37.113   1.059  -8.159
  117    H    ASP  17           HN       ASP  17  39.831   2.069 -10.130
  118    HA   ASP  17           HA       ASP  17  40.454   3.574  -7.751
  119    HB2  ASP  17           HB2      ASP  17  41.174   5.316  -9.312
  120    HB3  ASP  17           HB1      ASP  17  41.828   3.744  -9.789
  121    H    GLY  18           HN       GLY  18  39.531   5.565  -7.138
  122    HA2  GLY  18           HA2      GLY  18  37.901   7.286  -7.226
  123    HA3  GLY  18           HA1      GLY  18  36.956   6.302  -8.339
  124    H    ALA  19           HN       ALA  19  37.855   4.137  -6.121
  125    HA   ALA  19           HA       ALA  19  35.288   4.006  -4.888
  126    HB1  ALA  19           HB1      ALA  19  36.562   2.309  -3.381
  127    HB2  ALA  19           HB2      ALA  19  37.891   2.546  -4.519
  128    HB3  ALA  19           HB3      ALA  19  36.338   1.933  -5.089
  129    H    GLU  20           HN       GLU  20  34.627   4.590  -2.854
  130    HA   GLU  20           HA       GLU  20  36.440   5.486  -0.831
  131    HB2  GLU  20           HB2      GLU  20  36.531   7.430  -2.370
  132    HB3  GLU  20           HB1      GLU  20  34.782   7.594  -2.237
  133    HG2  GLU  20           HG2      GLU  20  35.765   9.165  -0.699
  134    HG3  GLU  20           HG1      GLU  20  35.078   7.867   0.266
  135    H    VAL  21           HN       VAL  21  35.261   4.051   0.462
  136    HA   VAL  21           HA       VAL  21  32.523   4.953   1.144
  137    HB   VAL  21           HB       VAL  21  33.621   2.140   0.961
  138   HG11  VAL  21          HG11      VAL  21  31.255   1.550   1.773
  139   HG12  VAL  21          HG12      VAL  21  31.150   3.221   2.326
  140   HG13  VAL  21          HG13      VAL  21  32.378   2.150   2.990
  141   HG21  VAL  21          HG21      VAL  21  32.427   3.652  -0.953
  142   HG22  VAL  21          HG22      VAL  21  31.003   2.957  -0.177
  143   HG23  VAL  21          HG23      VAL  21  32.244   1.900  -0.854
  144    H    GLU  22           HN       GLU  22  32.175   5.383   3.247
  145    HA   GLU  22           HA       GLU  22  34.345   5.590   5.059
  146    HB2  GLU  22           HB2      GLU  22  32.342   7.040   5.121
  147    HB3  GLU  22           HB1      GLU  22  31.375   5.663   5.641
  148    HG2  GLU  22           HG2      GLU  22  32.752   5.428   7.657
  149    HG3  GLU  22           HG1      GLU  22  33.774   6.760   7.129
  150    H    LEU  23           HN       LEU  23  31.783   3.178   4.684
  151    HA   LEU  23           HA       LEU  23  32.221   1.790   7.096
  152    HB2  LEU  23           HB2      LEU  23  30.216   1.449   5.729
  153    HB3  LEU  23           HB1      LEU  23  31.196   0.764   4.440
  154    HG   LEU  23           HG       LEU  23  31.863  -1.098   5.898
  155   HD11  LEU  23          HD11      LEU  23  30.369  -1.186   8.098
  156   HD12  LEU  23          HD12      LEU  23  30.430   0.568   7.931
  157   HD13  LEU  23          HD13      LEU  23  31.925  -0.355   8.093
  158   HD21  LEU  23          HD21      LEU  23  29.876  -1.514   4.637
  159   HD22  LEU  23          HD22      LEU  23  28.893  -0.523   5.717
  160   HD23  LEU  23          HD23      LEU  23  29.535  -2.073   6.274
  161    H    SER  24           HN       SER  24  33.636   1.337   3.866
  162    HA   SER  24           HA       SER  24  35.110  -0.989   4.489
  163    HB2  SER  24           HB2      SER  24  35.900   1.068   2.436
  164    HB3  SER  24           HB1      SER  24  36.182  -0.675   2.408
  165    HG   SER  24           HG       SER  24  33.676  -0.579   2.630
  166    H    ALA  25           HN       ALA  25  36.424  -0.908   6.274
  167    HA   ALA  25           HA       ALA  25  38.098   1.347   6.869
  168    HB1  ALA  25           HB1      ALA  25  39.031  -1.061   8.112
  169    HB2  ALA  25           HB2      ALA  25  37.272  -0.995   8.223
  170    HB3  ALA  25           HB3      ALA  25  38.249   0.335   8.853
  171    HA   PRO  26           HA       PRO  26  41.368  -1.949   5.102
  172    HB2  PRO  26           HB2      PRO  26  39.635  -3.089   2.984
  173    HB3  PRO  26           HB1      PRO  26  40.809  -3.902   4.034
  174    HG2  PRO  26           HG2      PRO  26  38.206  -4.185   4.415
  175    HG3  PRO  26           HG1      PRO  26  39.316  -4.057   5.792
  176    HD2  PRO  26           HD2      PRO  26  37.475  -1.982   4.644
  177    HD3  PRO  26           HD1      PRO  26  37.870  -2.327   6.339
  178    H    VAL  27           HN       VAL  27  39.047  -0.125   3.164
  179    HA   VAL  27           HA       VAL  27  40.686   0.125   0.855
  180    HB   VAL  27           HB       VAL  27  38.445   1.855   2.008
  181   HG11  VAL  27          HG11      VAL  27  40.257   2.254  -0.334
  182   HG12  VAL  27          HG12      VAL  27  39.426   3.450   0.660
  183   HG13  VAL  27          HG13      VAL  27  38.538   2.574  -0.583
  184   HG21  VAL  27          HG21      VAL  27  38.429   0.174  -0.502
  185   HG22  VAL  27          HG22      VAL  27  37.051   0.760   0.427
  186   HG23  VAL  27          HG23      VAL  27  38.064  -0.534   1.064
  187    H    LEU  28           HN       LEU  28  40.130   2.091   3.808
  188    HA   LEU  28           HA       LEU  28  42.015   4.177   3.124
  189    HB2  LEU  28           HB2      LEU  28  41.175   3.159   5.846
  190    HB3  LEU  28           HB1      LEU  28  42.183   4.587   5.649
  191    HG   LEU  28           HG       LEU  28  39.391   4.238   4.472
  192   HD11  LEU  28          HD11      LEU  28  39.031   6.188   6.209
  193   HD12  LEU  28          HD12      LEU  28  40.429   5.461   6.995
  194   HD13  LEU  28          HD13      LEU  28  38.967   4.510   6.745
  195   HD21  LEU  28          HD21      LEU  28  40.273   5.854   3.083
  196   HD22  LEU  28          HD22      LEU  28  41.518   6.319   4.241
  197   HD23  LEU  28          HD23      LEU  28  39.863   6.897   4.446
  198    H    GLN  29           HN       GLN  29  42.463   1.078   4.781
  199    HA   GLN  29           HA       GLN  29  45.170   1.444   5.472
  200    HB2  GLN  29           HB2      GLN  29  43.633  -1.086   4.870
  201    HB3  GLN  29           HB1      GLN  29  45.280  -1.064   5.499
  202    HG2  GLN  29           HG2      GLN  29  44.564   0.172   7.473
  203    HG3  GLN  29           HG1      GLN  29  42.927   0.297   6.825
  204   HE21  GLN  29          HE21      GLN  29  42.741  -0.868   9.147
  205   HE22  GLN  29          HE22      GLN  29  42.695  -2.561   9.069
  206    H    GLU  30           HN       GLU  30  43.656   0.128   2.527
  207    HA   GLU  30           HA       GLU  30  46.089  -0.642   1.261
  208    HB2  GLU  30           HB2      GLU  30  43.374   0.052   0.133
  209    HB3  GLU  30           HB1      GLU  30  44.701  -0.533  -0.856
  210    HG2  GLU  30           HG2      GLU  30  44.808  -2.586   0.455
  211    HG3  GLU  30           HG1      GLU  30  43.553  -2.002   1.522
  212    H    ILE  31           HN       ILE  31  44.216   2.398   1.226
  213    HA   ILE  31           HA       ILE  31  45.807   3.661  -0.745
  214    HB   ILE  31           HB       ILE  31  44.109   4.802   1.488
  215   HG12  ILE  31          HG12      ILE  31  43.644   4.741  -1.512
  216   HG13  ILE  31          HG11      ILE  31  43.050   3.484  -0.427
  217   HG21  ILE  31          HG21      ILE  31  45.678   6.137  -0.731
  218   HG22  ILE  31          HG22      ILE  31  45.679   6.518   0.993
  219   HG23  ILE  31          HG23      ILE  31  44.271   6.910   0.005
  220   HD11  ILE  31          HD11      ILE  31  41.800   5.158   0.870
  221   HD12  ILE  31          HD12      ILE  31  41.323   5.194  -0.826
  222   HD13  ILE  31          HD13      ILE  31  42.404   6.430  -0.194
  223    H    TYR  32           HN       TYR  32  45.988   3.578   2.809
  224    HA   TYR  32           HA       TYR  32  48.167   5.335   3.088
  225    HB2  TYR  32           HB2      TYR  32  46.827   4.649   4.993
  226    HB3  TYR  32           HB1      TYR  32  47.333   2.970   4.783
  227    HD1  TYR  32           HD2      TYR  32  48.620   6.404   5.445
  228    HD2  TYR  32           HD1      TYR  32  49.333   2.180   5.754
  229    HE1  TYR  32           HE2      TYR  32  50.624   6.847   6.840
  230    HE2  TYR  32           HE1      TYR  32  51.350   2.618   7.133
  231    HH   TYR  32           HH       TYR  32  51.972   5.549   8.598
  232    H    LEU  33           HN       LEU  33  48.058   1.786   2.729
  233    HA   LEU  33           HA       LEU  33  50.852   1.371   2.903
  234    HB2  LEU  33           HB2      LEU  33  48.646  -0.235   1.595
  235    HB3  LEU  33           HB1      LEU  33  50.316  -0.796   1.676
  236    HG   LEU  33           HG       LEU  33  48.677   0.046   4.093
  237   HD11  LEU  33          HD11      LEU  33  49.282  -2.745   3.080
  238   HD12  LEU  33          HD12      LEU  33  47.715  -1.952   2.973
  239   HD13  LEU  33          HD13      LEU  33  48.401  -2.345   4.551
  240   HD21  LEU  33          HD21      LEU  33  50.843   0.144   4.879
  241   HD22  LEU  33          HD22      LEU  33  51.452  -0.974   3.659
  242   HD23  LEU  33          HD23      LEU  33  50.581  -1.590   5.061
  243    H    SER  34           HN       SER  34  48.718   1.980   0.137
  244    HA   SER  34           HA       SER  34  50.701   1.631  -1.872
  245    HB2  SER  34           HB2      SER  34  49.101   2.826  -3.329
  246    HB3  SER  34           HB1      SER  34  48.316   1.558  -2.392
  247    HG   SER  34           HG       SER  34  48.128   4.329  -2.198
  248    H    GLY  35           HN       GLY  35  49.661   4.381   0.080
  249    HA2  GLY  35           HA2      GLY  35  51.007   6.404  -1.382
  250    HA3  GLY  35           HA1      GLY  35  50.510   6.503   0.305
  251    H    LEU  36           HN       LEU  36  52.070   4.229   1.225
  252    HA   LEU  36           HA       LEU  36  54.497   5.528   1.840
  253    HB2  LEU  36           HB2      LEU  36  53.686   2.623   2.003
  254    HB3  LEU  36           HB1      LEU  36  55.203   3.244   2.646
  255    HG   LEU  36           HG       LEU  36  52.477   4.317   3.429
  256   HD11  LEU  36          HD11      LEU  36  54.058   2.013   4.427
  257   HD12  LEU  36          HD12      LEU  36  52.316   2.296   4.485
  258   HD13  LEU  36          HD13      LEU  36  53.378   3.079   5.658
  259   HD21  LEU  36          HD21      LEU  36  53.827   6.005   4.157
  260   HD22  LEU  36          HD22      LEU  36  55.280   5.018   4.079
  261   HD23  LEU  36          HD23      LEU  36  54.208   4.893   5.469
  262    H    ARG  37           HN       ARG  37  53.711   3.055  -0.606
  263    HA   ARG  37           HA       ARG  37  56.376   2.683  -1.489
  264    HB2  ARG  37           HB2      ARG  37  53.724   2.300  -2.881
  265    HB3  ARG  37           HB1      ARG  37  55.273   1.869  -3.610
  266    HG2  ARG  37           HG2      ARG  37  55.750   0.331  -1.784
  267    HG3  ARG  37           HG1      ARG  37  54.275   0.807  -0.952
  268    HD2  ARG  37           HD2      ARG  37  53.890  -1.290  -2.137
  269    HD3  ARG  37           HD1      ARG  37  52.955  -0.001  -2.896
  270    HE   ARG  37           HE       ARG  37  55.480  -0.230  -4.173
  271   HH11  ARG  37          HH21      ARG  37  52.444  -1.830  -3.761
  272   HH12  ARG  37          HH22      ARG  37  52.480  -2.600  -5.312
  273   HH21  ARG  37          HH11      ARG  37  55.531  -1.223  -6.220
  274   HH22  ARG  37          HH12      ARG  37  54.235  -2.262  -6.702
  275    H    SER  38           HN       SER  38  53.831   4.947  -2.401
  276    HA   SER  38           HA       SER  38  55.253   6.165  -4.570
  277    HB2  SER  38           HB2      SER  38  52.848   6.974  -2.957
  278    HB3  SER  38           HB1      SER  38  53.507   7.982  -4.239
  279    HG   SER  38           HG       SER  38  52.234   5.491  -4.363
  280    H    TRP  39           HN       TRP  39  54.930   6.843  -1.097
  281    HA   TRP  39           HA       TRP  39  56.096   9.404  -1.160
  282    HB2  TRP  39           HB2      TRP  39  55.794   7.388   1.049
  283    HB3  TRP  39           HB1      TRP  39  56.645   8.910   1.300
  284    HD1  TRP  39           HD1      TRP  39  53.354   7.525   1.689
  285    HE1  TRP  39           HE1      TRP  39  51.529   9.335   1.676
  286    HE3  TRP  39           HE3      TRP  39  56.027  11.473  -0.152
  287    HZ2  TRP  39           HZ2      TRP  39  51.232  12.095   0.991
  288    HZ3  TRP  39           HZ3      TRP  39  54.945  13.672  -0.473
  289    HH2  TRP  39           HH2      TRP  39  52.553  13.991   0.093
  290    H    LYS  40           HN       LYS  40  57.592   6.193  -0.990
  291    HA   LYS  40           HA       LYS  40  60.127   6.979  -0.135
  292    HB2  LYS  40           HB2      LYS  40  59.387   4.628  -0.417
  293    HB3  LYS  40           HB1      LYS  40  59.482   4.836  -2.165
  294    HG2  LYS  40           HG2      LYS  40  61.877   5.364  -1.987
  295    HG3  LYS  40           HG1      LYS  40  61.786   5.203  -0.230
  296    HD2  LYS  40           HD2      LYS  40  61.095   2.841  -0.493
  297    HD3  LYS  40           HD1      LYS  40  61.212   3.013  -2.245
  298    HE2  LYS  40           HE2      LYS  40  63.267   1.992  -1.376
  299    HE3  LYS  40           HE1      LYS  40  63.614   3.604  -2.009
  300    HZ1  LYS  40           HZ1      LYS  40  63.906   4.463   0.076
  301    HZ2  LYS  40           HZ2      LYS  40  64.469   2.879   0.331
  302    HZ3  LYS  40           HZ3      LYS  40  62.903   3.317   0.826
  303    H    ARG  41           HN       ARG  41  58.811   6.887  -3.506
  304    HA   ARG  41           HA       ARG  41  61.229   7.681  -4.714
  305    HB2  ARG  41           HB2      ARG  41  59.294   6.763  -5.956
  306    HB3  ARG  41           HB1      ARG  41  58.405   8.257  -5.648
  307    HG2  ARG  41           HG2      ARG  41  60.103   9.550  -6.846
  308    HG3  ARG  41           HG1      ARG  41  61.056   8.089  -7.111
  309    HD2  ARG  41           HD2      ARG  41  59.770   8.561  -9.120
  310    HD3  ARG  41           HD1      ARG  41  59.117   7.114  -8.356
  311    HE   ARG  41           HE       ARG  41  57.722   9.404  -7.427
  312   HH11  ARG  41          HH21      ARG  41  58.192   7.442 -10.235
  313   HH12  ARG  41          HH22      ARG  41  56.604   7.727 -10.866
  314   HH21  ARG  41          HH11      ARG  41  55.652   9.795  -8.257
  315   HH22  ARG  41          HH12      ARG  41  55.171   9.058  -9.745
  316    H    HIS  42           HN       HIS  42  58.499   9.480  -3.537
  317    HA   HIS  42           HA       HIS  42  59.450  12.114  -4.186
  318    HB2  HIS  42           HB2      HIS  42  57.273  11.124  -2.347
  319    HB3  HIS  42           HB1      HIS  42  57.605  12.836  -2.614
  320    HD2  HIS  42           HD2      HIS  42  56.730  13.840  -5.099
  321    HE1  HIS  42           HE1      HIS  42  55.173  10.200  -6.557
  322    HE2  HIS  42           HE2      HIS  42  55.323  12.693  -6.983
  323    H    LEU  43           HN       LEU  43  59.648  10.066  -1.397
  324    HA   LEU  43           HA       LEU  43  60.735  12.061   0.388
  325    HB2  LEU  43           HB2      LEU  43  59.227  10.195   1.121
  326    HB3  LEU  43           HB1      LEU  43  60.520   9.063   0.749
  327    HG   LEU  43           HG       LEU  43  61.977  10.223   2.415
  328   HD11  LEU  43          HD11      LEU  43  61.204  12.426   2.610
  329   HD12  LEU  43          HD12      LEU  43  60.542  11.683   4.061
  330   HD13  LEU  43          HD13      LEU  43  59.513  11.932   2.653
  331   HD21  LEU  43          HD21      LEU  43  60.604   9.511   4.436
  332   HD22  LEU  43          HD22      LEU  43  60.820   8.284   3.186
  333   HD23  LEU  43          HD23      LEU  43  59.297   9.164   3.305
  334    H    SER  44           HN       SER  44  61.988  10.185  -2.083
  335    HA   SER  44           HA       SER  44  64.359   9.117  -1.174
  336    HB2  SER  44           HB2      SER  44  63.867  10.472  -3.828
  337    HB3  SER  44           HB1      SER  44  65.188   9.360  -3.473
  338    HG   SER  44           HG       SER  44  63.832   7.806  -3.834
  339    H    ARG  45           HN       ARG  45  63.874  12.569  -2.183
  340    HA   ARG  45           HA       ARG  45  66.587  13.236  -2.131
  341    HB2  ARG  45           HB2      ARG  45  64.143  14.897  -1.554
  342    HB3  ARG  45           HB1      ARG  45  65.770  15.581  -1.627
  343    HG2  ARG  45           HG2      ARG  45  66.039  14.728  -3.921
  344    HG3  ARG  45           HG1      ARG  45  64.432  13.997  -3.849
  345    HD2  ARG  45           HD2      ARG  45  63.432  16.231  -3.535
  346    HD3  ARG  45           HD1      ARG  45  65.034  16.958  -3.599
  347    HE   ARG  45           HE       ARG  45  63.527  15.865  -5.853
  348   HH11  ARG  45          HH21      ARG  45  66.524  17.080  -4.582
  349   HH12  ARG  45          HH22      ARG  45  67.167  17.499  -6.132
  350   HH21  ARG  45          HH11      ARG  45  64.368  16.414  -7.878
  351   HH22  ARG  45          HH12      ARG  45  65.941  17.126  -8.002
  352    H    PHE  46           HN       PHE  46  64.218  13.507   0.505
  353    HA   PHE  46           HA       PHE  46  66.080  14.449   2.439
  354    HB2  PHE  46           HB2      PHE  46  63.403  13.091   2.733
  355    HB3  PHE  46           HB1      PHE  46  64.315  13.744   4.088
  356    HD1  PHE  46           HD2      PHE  46  64.810  16.174   4.222
  357    HD2  PHE  46           HD1      PHE  46  62.262  14.543   1.170
  358    HE1  PHE  46           HE2      PHE  46  63.932  18.443   3.741
  359    HE2  PHE  46           HE1      PHE  46  61.386  16.809   0.687
  360    HZ   PHE  46           HZ       PHE  46  62.220  18.761   1.968
  361    H    TRP  47           HN       TRP  47  64.942  11.249   1.525
  362    HA   TRP  47           HA       TRP  47  66.099   9.803   3.664
  363    HB2  TRP  47           HB2      TRP  47  64.353   8.882   2.188
  364    HB3  TRP  47           HB1      TRP  47  65.504   8.865   0.849
  365    HD1  TRP  47           HD1      TRP  47  64.775   7.198   4.207
  366    HE1  TRP  47           HE1      TRP  47  66.094   4.993   4.344
  367    HE3  TRP  47           HE3      TRP  47  67.595   7.604  -0.030
  368    HZ2  TRP  47           HZ2      TRP  47  68.099   3.581   2.854
  369    HZ3  TRP  47           HZ3      TRP  47  69.199   5.818  -0.645
  370    HH2  TRP  47           HH2      TRP  47  69.450   3.812   0.788
  371    H    ASN  48           HN       ASN  48  67.307  10.681   0.455
  372    HA   ASN  48           HA       ASN  48  69.704   9.195   0.539
  373    HB2  ASN  48           HB2      ASN  48  68.844  11.658  -0.968
  374    HB3  ASN  48           HB1      ASN  48  70.476  11.020  -1.124
  375   HD21  ASN  48          HD21      ASN  48  69.572   8.160  -0.860
  376   HD22  ASN  48          HD22      ASN  48  68.799   7.800  -2.332
  377    H    ASP  49           HN       ASP  49  68.920  12.485   1.590
  378    HA   ASP  49           HA       ASP  49  71.568  13.232   2.274
  379    HB2  ASP  49           HB2      ASP  49  68.866  14.241   3.169
  380    HB3  ASP  49           HB1      ASP  49  70.386  14.963   3.696
  381    H    PHE  50           HN       PHE  50  72.684  13.119   4.175
  382    HA   PHE  50           HA       PHE  50  72.004  10.996   5.971
  383    HB2  PHE  50           HB2      PHE  50  74.204  13.073   6.009
  384    HB3  PHE  50           HB1      PHE  50  74.065  11.769   7.193
  385    HD1  PHE  50           HD2      PHE  50  74.316   9.407   6.491
  386    HD2  PHE  50           HD1      PHE  50  74.881  12.649   3.727
  387    HE1  PHE  50           HE2      PHE  50  75.442   7.865   4.910
  388    HE2  PHE  50           HE1      PHE  50  76.006  11.105   2.148
  389    HZ   PHE  50           HZ       PHE  50  76.285   8.713   2.735
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1   2.645  -5.747  12.814
    2    H2   MET   1           HT2      MET   1   1.443  -4.596  13.157
    3    H3   MET   1           HT3      MET   1   1.135  -5.846  12.048
    4    HA   MET   1           HA       MET   1   0.578  -5.843  14.747
    5    HB2  MET   1           HB2      MET   1  -0.626  -7.034  12.926
    6    HB3  MET   1           HB1      MET   1   0.723  -8.162  12.798
    7    HG2  MET   1           HG2      MET   1   0.386  -8.865  15.126
    8    HG3  MET   1           HG1      MET   1  -0.923  -7.698  15.302
    9    HE1  MET   1           HE1      MET   1  -0.233 -10.169  12.055
   10    HE2  MET   1           HE2      MET   1  -0.771 -11.585  12.953
   11    HE3  MET   1           HE3      MET   1   0.547 -10.603  13.582
   12    H    ALA   2           HN       ALA   2   2.427  -8.495  13.290
   13    HA   ALA   2           HA       ALA   2   3.685  -9.214  15.718
   14    HB1  ALA   2           HB1      ALA   2   5.211 -10.049  13.413
   15    HB2  ALA   2           HB2      ALA   2   3.487 -10.275  13.121
   16    HB3  ALA   2           HB3      ALA   2   4.249 -11.025  14.523
   17    H    GLU   3           HN       GLU   3   4.695  -7.202  13.002
   18    HA   GLU   3           HA       GLU   3   7.112  -6.434  14.532
   19    HB2  GLU   3           HB2      GLU   3   7.624  -7.641  12.429
   20    HB3  GLU   3           HB1      GLU   3   6.728  -6.418  11.529
   21    HG2  GLU   3           HG2      GLU   3   8.267  -4.676  12.322
   22    HG3  GLU   3           HG1      GLU   3   9.144  -5.870  13.277
   23    H    ALA   4           HN       ALA   4   7.448  -4.310  14.919
   24    HA   ALA   4           HA       ALA   4   5.293  -2.480  14.655
   25    HB1  ALA   4           HB1      ALA   4   6.564  -1.067  15.936
   26    HB2  ALA   4           HB2      ALA   4   8.052  -1.446  15.068
   27    HB3  ALA   4           HB3      ALA   4   7.424  -2.569  16.275
   28    H    HIS   5           HN       HIS   5   5.005  -0.736  13.293
   29    HA   HIS   5           HA       HIS   5   6.660  -0.752  10.842
   30    HB2  HIS   5           HB2      HIS   5   3.786   0.098  11.261
   31    HB3  HIS   5           HB1      HIS   5   4.671   0.259   9.744
   32    HD2  HIS   5           HD2      HIS   5   2.612  -2.391  11.597
   33    HE1  HIS   5           HE1      HIS   5   4.744  -4.450   8.591
   34    HE2  HIS   5           HE2      HIS   5   2.879  -4.644  10.303
   35    H    GLN   6           HN       GLN   6   7.594   1.093  10.137
   36    HA   GLN   6           HA       GLN   6   7.867   3.271  11.992
   37    HB2  GLN   6           HB2      GLN   6   9.741   2.526  10.578
   38    HB3  GLN   6           HB1      GLN   6   8.843   3.006   9.138
   39    HG2  GLN   6           HG2      GLN   6   8.840   5.326   9.840
   40    HG3  GLN   6           HG1      GLN   6   9.561   4.899  11.392
   41   HE21  GLN   6          HE21      GLN   6  10.844   6.761   9.647
   42   HE22  GLN   6          HE22      GLN   6  12.275   6.054   9.069
   43    H    ALA   7           HN       ALA   7   7.056   5.318  11.874
   44    HA   ALA   7           HA       ALA   7   4.574   5.720  10.563
   45    HB1  ALA   7           HB1      ALA   7   6.471   7.487  12.077
   46    HB2  ALA   7           HB2      ALA   7   4.828   7.001  12.496
   47    HB3  ALA   7           HB3      ALA   7   5.099   8.192  11.223
   48    H    VAL   8           HN       VAL   8   4.033   6.977   8.784
   49    HA   VAL   8           HA       VAL   8   6.283   7.660   6.985
   50    HB   VAL   8           HB       VAL   8   4.646   7.269   5.129
   51   HG11  VAL   8          HG11      VAL   8   5.262   4.999   7.040
   52   HG12  VAL   8          HG12      VAL   8   6.231   5.526   5.665
   53   HG13  VAL   8          HG13      VAL   8   4.665   4.760   5.399
   54   HG21  VAL   8          HG21      VAL   8   2.630   5.886   5.754
   55   HG22  VAL   8          HG22      VAL   8   2.555   7.553   6.321
   56   HG23  VAL   8          HG23      VAL   8   2.965   6.258   7.445
   57    H    GLY   9           HN       GLY   9   6.443   9.684   6.297
   58    HA2  GLY   9           HA2      GLY   9   4.292  11.455   5.811
   59    HA3  GLY   9           HA1      GLY   9   4.985  11.802   7.394
   60    H    PHE  10           HN       PHE  10   5.401  13.901   6.131
   61    HA   PHE  10           HA       PHE  10   7.694  13.760   4.327
   62    HB2  PHE  10           HB2      PHE  10   5.898  15.314   3.768
   63    HB3  PHE  10           HB1      PHE  10   6.075  16.115   5.329
   64    HD1  PHE  10           HD1      PHE  10   8.004  15.217   2.249
   65    HD2  PHE  10           HD2      PHE  10   7.583  17.898   5.578
   66    HE1  PHE  10           HE1      PHE  10   9.783  16.665   1.307
   67    HE2  PHE  10           HE2      PHE  10   9.362  19.346   4.637
   68    HZ   PHE  10           HZ       PHE  10  10.462  18.730   2.501
   69    H    ARG  11           HN       ARG  11   9.697  13.794   5.068
   70    HA   ARG  11           HA       ARG  11  10.669  15.653   6.972
   71    HB2  ARG  11           HB2      ARG  11   9.386  13.973   8.442
   72    HB3  ARG  11           HB1      ARG  11  10.661  12.829   8.031
   73    HG2  ARG  11           HG2      ARG  11  11.743  13.721   9.818
   74    HG3  ARG  11           HG1      ARG  11  12.122  15.043   8.714
   75    HD2  ARG  11           HD2      ARG  11  11.160  15.932  10.786
   76    HD3  ARG  11           HD1      ARG  11  10.067  16.221   9.435
   77    HE   ARG  11           HE       ARG  11   9.468  13.759  10.774
   78   HH11  ARG  11          HH21      ARG  11   9.168  17.203  10.918
   79   HH12  ARG  11          HH22      ARG  11   7.721  17.177  11.869
   80   HH21  ARG  11          HH11      ARG  11   7.570  13.716  12.022
   81   HH22  ARG  11          HH12      ARG  11   6.816  15.202  12.494
   82    HA   PRO  12           HA       PRO  12  13.671  13.597   4.059
   83    HB2  PRO  12           HB2      PRO  12  14.729  16.359   3.957
   84    HB3  PRO  12           HB1      PRO  12  14.299  15.267   2.628
   85    HG2  PRO  12           HG2      PRO  12  12.814  17.408   3.262
   86    HG3  PRO  12           HG1      PRO  12  12.107  15.912   2.625
   87    HD2  PRO  12           HD2      PRO  12  12.112  16.949   5.436
   88    HD3  PRO  12           HD1      PRO  12  10.861  16.025   4.573
   89    H    SER  13           HN       SER  13  15.747  12.944   4.551
   90    HA   SER  13           HA       SER  13  16.666  13.347   7.233
   91    HB2  SER  13           HB2      SER  13  17.759  11.888   4.839
   92    HB3  SER  13           HB1      SER  13  18.695  12.043   6.323
   93    HG   SER  13           HG       SER  13  17.234  10.146   6.067
   94    H    LEU  14           HN       LEU  14  18.495  14.421   7.959
   95    HA   LEU  14           HA       LEU  14  19.227  16.778   6.478
   96    HB2  LEU  14           HB2      LEU  14  20.191  15.624   9.101
   97    HB3  LEU  14           HB1      LEU  14  20.763  17.156   8.445
   98    HG   LEU  14           HG       LEU  14  17.842  16.511   8.949
   99   HD11  LEU  14          HD11      LEU  14  18.092  18.048  10.906
  100   HD12  LEU  14          HD12      LEU  14  19.835  18.052  10.634
  101   HD13  LEU  14          HD13      LEU  14  19.015  16.554  11.077
  102   HD21  LEU  14          HD21      LEU  14  17.988  19.195   8.961
  103   HD22  LEU  14          HD22      LEU  14  17.738  18.281   7.475
  104   HD23  LEU  14          HD23      LEU  14  19.348  18.866   7.889
  105    H    THR  15           HN       THR  15  21.136  17.238   5.457
  106    HA   THR  15           HA       THR  15  22.627  15.077   4.378
  107    HB   THR  15           HB       THR  15  24.110  16.874   3.485
  108    HG1  THR  15           HG1      THR  15  22.324  18.625   4.804
  109   HG21  THR  15          HG21      THR  15  22.144  16.285   2.212
  110   HG22  THR  15          HG22      THR  15  22.283  18.043   2.201
  111   HG23  THR  15          HG23      THR  15  21.115  17.257   3.262
  112    H    SER  16           HN       SER  16  23.116  17.231   7.102
  113    HA   SER  16           HA       SER  16  25.836  16.696   7.603
  114    HB2  SER  16           HB2      SER  16  25.341  17.488   9.896
  115    HB3  SER  16           HB1      SER  16  24.663  18.554   8.670
  116    HG   SER  16           HG       SER  16  22.892  18.214   9.775
  117    H    ASP  17           HN       ASP  17  22.895  14.980   8.465
  118    HA   ASP  17           HA       ASP  17  24.325  13.086  10.157
  119    HB2  ASP  17           HB2      ASP  17  22.044  13.825  10.761
  120    HB3  ASP  17           HB1      ASP  17  21.433  13.118   9.266
  121    H    GLY  18           HN       GLY  18  25.463  11.529   9.229
  122    HA2  GLY  18           HA2      GLY  18  25.619   9.461   8.083
  123    HA3  GLY  18           HA1      GLY  18  24.244   9.936   7.090
  124    H    ALA  19           HN       ALA  19  26.077  12.618   7.186
  125    HA   ALA  19           HA       ALA  19  26.947  12.401   4.504
  126    HB1  ALA  19           HB1      ALA  19  26.952  14.616   4.842
  127    HB2  ALA  19           HB2      ALA  19  28.479  14.417   5.699
  128    HB3  ALA  19           HB3      ALA  19  26.960  14.409   6.594
  129    H    GLU  20           HN       GLU  20  28.576  11.978   7.597
  130    HA   GLU  20           HA       GLU  20  31.087  11.338   6.225
  131    HB2  GLU  20           HB2      GLU  20  30.424  11.688   9.160
  132    HB3  GLU  20           HB1      GLU  20  32.019  11.263   8.538
  133    HG2  GLU  20           HG2      GLU  20  30.480  13.763   7.768
  134    HG3  GLU  20           HG1      GLU  20  31.762  13.712   8.979
  135    H    VAL  21           HN       VAL  21  32.081   9.349   6.372
  136    HA   VAL  21           HA       VAL  21  30.440   7.148   7.495
  137    HB   VAL  21           HB       VAL  21  32.069   7.261   4.953
  138   HG11  VAL  21          HG11      VAL  21  31.053   4.906   6.550
  139   HG12  VAL  21          HG12      VAL  21  32.657   5.157   5.865
  140   HG13  VAL  21          HG13      VAL  21  31.294   4.803   4.804
  141   HG21  VAL  21          HG21      VAL  21  29.234   6.322   5.409
  142   HG22  VAL  21          HG22      VAL  21  30.005   6.748   3.880
  143   HG23  VAL  21          HG23      VAL  21  29.623   8.005   5.056
  144    H    GLU  22           HN       GLU  22  31.412   5.848   8.920
  145    HA   GLU  22           HA       GLU  22  34.270   6.259   9.460
  146    HB2  GLU  22           HB2      GLU  22  33.822   5.282  11.636
  147    HB3  GLU  22           HB1      GLU  22  32.659   6.565  11.307
  148    HG2  GLU  22           HG2      GLU  22  31.014   4.865  10.566
  149    HG3  GLU  22           HG1      GLU  22  32.166   3.592  10.964
  150    H    LEU  23           HN       LEU  23  32.432   4.217   7.660
  151    HA   LEU  23           HA       LEU  23  34.100   1.858   8.262
  152    HB2  LEU  23           HB2      LEU  23  31.516   2.053   6.688
  153    HB3  LEU  23           HB1      LEU  23  32.400   0.567   7.033
  154    HG   LEU  23           HG       LEU  23  31.244   2.440   9.123
  155   HD11  LEU  23          HD11      LEU  23  30.065   0.355   7.534
  156   HD12  LEU  23          HD12      LEU  23  29.312   1.340   8.788
  157   HD13  LEU  23          HD13      LEU  23  30.123  -0.166   9.218
  158   HD21  LEU  23          HD21      LEU  23  32.951  -0.017   9.215
  159   HD22  LEU  23          HD22      LEU  23  31.715   0.171  10.458
  160   HD23  LEU  23          HD23      LEU  23  32.969   1.397  10.265
  161    H    SER  24           HN       SER  24  35.611   1.234   6.894
  162    HA   SER  24           HA       SER  24  35.712   1.007   4.220
  163    HB2  SER  24           HB2      SER  24  36.974   3.262   3.648
  164    HB3  SER  24           HB1      SER  24  35.229   3.140   3.526
  165    HG   SER  24           HG       SER  24  36.679   4.741   5.061
  166    H    ALA  25           HN       ALA  25  37.002   0.625   6.981
  167    HA   ALA  25           HA       ALA  25  39.645   1.330   7.038
  168    HB1  ALA  25           HB1      ALA  25  38.000  -0.619   8.330
  169    HB2  ALA  25           HB2      ALA  25  39.505   0.115   8.886
  170    HB3  ALA  25           HB3      ALA  25  39.549  -1.356   7.918
  171    HA   PRO  26           HA       PRO  26  40.861  -2.657   4.531
  172    HB2  PRO  26           HB2      PRO  26  38.518  -2.710   2.711
  173    HB3  PRO  26           HB1      PRO  26  39.411  -4.078   3.391
  174    HG2  PRO  26           HG2      PRO  26  36.980  -3.431   4.242
  175    HG3  PRO  26           HG1      PRO  26  38.229  -4.028   5.354
  176    HD2  PRO  26           HD2      PRO  26  37.217  -1.243   5.000
  177    HD3  PRO  26           HD1      PRO  26  37.810  -2.065   6.465
  178    H    VAL  27           HN       VAL  27  38.811  -0.205   2.953
  179    HA   VAL  27           HA       VAL  27  40.435   0.074   0.581
  180    HB   VAL  27           HB       VAL  27  38.316   1.830   1.849
  181   HG11  VAL  27          HG11      VAL  27  40.118   2.158  -0.504
  182   HG12  VAL  27          HG12      VAL  27  39.502   3.373   0.607
  183   HG13  VAL  27          HG13      VAL  27  38.453   2.723  -0.659
  184   HG21  VAL  27          HG21      VAL  27  36.884   0.916   0.168
  185   HG22  VAL  27          HG22      VAL  27  37.768  -0.461   0.827
  186   HG23  VAL  27          HG23      VAL  27  38.242   0.225  -0.722
  187    H    LEU  28           HN       LEU  28  40.155   1.749   3.663
  188    HA   LEU  28           HA       LEU  28  41.929   3.877   3.129
  189    HB2  LEU  28           HB2      LEU  28  41.165   2.565   5.754
  190    HB3  LEU  28           HB1      LEU  28  42.174   4.000   5.652
  191    HG   LEU  28           HG       LEU  28  39.436   3.799   4.383
  192   HD11  LEU  28          HD11      LEU  28  40.250   4.349   7.164
  193   HD12  LEU  28          HD12      LEU  28  38.664   3.917   6.512
  194   HD13  LEU  28          HD13      LEU  28  39.218   5.588   6.449
  195   HD21  LEU  28          HD21      LEU  28  40.251   5.665   3.349
  196   HD22  LEU  28          HD22      LEU  28  41.590   5.813   4.483
  197   HD23  LEU  28          HD23      LEU  28  40.007   6.445   4.909
  198    H    GLN  29           HN       GLN  29  42.495   0.638   4.529
  199    HA   GLN  29           HA       GLN  29  45.242   1.043   5.186
  200    HB2  GLN  29           HB2      GLN  29  43.636  -1.433   4.623
  201    HB3  GLN  29           HB1      GLN  29  45.317  -1.486   5.172
  202    HG2  GLN  29           HG2      GLN  29  44.711  -0.193   7.189
  203    HG3  GLN  29           HG1      GLN  29  43.030  -0.101   6.634
  204   HE21  GLN  29          HE21      GLN  29  42.967  -1.273   8.985
  205   HE22  GLN  29          HE22      GLN  29  42.968  -2.971   8.909
  206    H    GLU  30           HN       GLU  30  43.694  -0.222   2.235
  207    HA   GLU  30           HA       GLU  30  46.100  -1.033   0.983
  208    HB2  GLU  30           HB2      GLU  30  43.399  -0.293  -0.159
  209    HB3  GLU  30           HB1      GLU  30  44.723  -0.946  -1.126
  210    HG2  GLU  30           HG2      GLU  30  43.479  -2.304   1.290
  211    HG3  GLU  30           HG1      GLU  30  43.129  -2.713  -0.389
  212    H    ILE  31           HN       ILE  31  44.265   2.044   0.795
  213    HA   ILE  31           HA       ILE  31  45.999   3.147  -1.194
  214    HB   ILE  31           HB       ILE  31  44.960   5.320  -0.610
  215   HG12  ILE  31          HG12      ILE  31  43.518   3.739   1.524
  216   HG13  ILE  31          HG11      ILE  31  44.793   4.899   1.842
  217   HG21  ILE  31          HG21      ILE  31  42.931   3.069  -0.704
  218   HG22  ILE  31          HG22      ILE  31  43.832   3.647  -2.108
  219   HG23  ILE  31          HG23      ILE  31  42.706   4.721  -1.277
  220   HD11  ILE  31          HD11      ILE  31  43.415   6.631   0.644
  221   HD12  ILE  31          HD12      ILE  31  42.695   6.043   2.144
  222   HD13  ILE  31          HD13      ILE  31  42.097   5.459   0.590
  223    H    TYR  32           HN       TYR  32  45.950   3.291   2.369
  224    HA   TYR  32           HA       TYR  32  48.052   5.134   2.675
  225    HB2  TYR  32           HB2      TYR  32  46.660   4.484   4.550
  226    HB3  TYR  32           HB1      TYR  32  47.221   2.817   4.437
  227    HD1  TYR  32           HD2      TYR  32  48.360   6.312   5.027
  228    HD2  TYR  32           HD1      TYR  32  49.234   2.136   5.503
  229    HE1  TYR  32           HE2      TYR  32  50.299   6.884   6.460
  230    HE2  TYR  32           HE1      TYR  32  51.179   2.706   6.940
  231    HH   TYR  32           HH       TYR  32  51.692   5.024   8.503
  232    H    LEU  33           HN       LEU  33  48.119   1.574   2.477
  233    HA   LEU  33           HA       LEU  33  50.911   1.294   2.760
  234    HB2  LEU  33           HB2      LEU  33  49.361  -0.605   2.994
  235    HB3  LEU  33           HB1      LEU  33  48.929  -0.474   1.292
  236    HG   LEU  33           HG       LEU  33  51.237  -1.005   0.635
  237   HD11  LEU  33          HD11      LEU  33  52.659  -1.912   2.679
  238   HD12  LEU  33          HD12      LEU  33  51.667  -0.777   3.594
  239   HD13  LEU  33          HD13      LEU  33  52.680  -0.197   2.270
  240   HD21  LEU  33          HD21      LEU  33  51.059  -3.213   2.457
  241   HD22  LEU  33          HD22      LEU  33  50.634  -3.171   0.747
  242   HD23  LEU  33          HD23      LEU  33  49.428  -2.754   1.968
  243    H    SER  34           HN       SER  34  48.842   1.670  -0.092
  244    HA   SER  34           HA       SER  34  50.857   1.395  -2.056
  245    HB2  SER  34           HB2      SER  34  48.618   1.218  -2.803
  246    HB3  SER  34           HB1      SER  34  48.157   2.729  -2.024
  247    HG   SER  34           HG       SER  34  48.931   3.805  -3.671
  248    H    GLY  35           HN       GLY  35  49.569   4.230  -0.330
  249    HA2  GLY  35           HA2      GLY  35  50.995   6.174  -1.776
  250    HA3  GLY  35           HA1      GLY  35  50.339   6.373  -0.157
  251    H    LEU  36           HN       LEU  36  51.873   4.276   1.103
  252    HA   LEU  36           HA       LEU  36  54.189   5.714   1.777
  253    HB2  LEU  36           HB2      LEU  36  53.176   4.065   3.280
  254    HB3  LEU  36           HB1      LEU  36  53.570   2.773   2.152
  255    HG   LEU  36           HG       LEU  36  55.971   3.219   2.448
  256   HD11  LEU  36          HD11      LEU  36  54.895   5.541   4.012
  257   HD12  LEU  36          HD12      LEU  36  56.254   5.483   2.888
  258   HD13  LEU  36          HD13      LEU  36  56.424   4.817   4.512
  259   HD21  LEU  36          HD21      LEU  36  54.835   1.664   4.001
  260   HD22  LEU  36          HD22      LEU  36  54.492   3.011   5.087
  261   HD23  LEU  36          HD23      LEU  36  56.159   2.514   4.799
  262    H    ARG  37           HN       ARG  37  53.688   2.972  -0.431
  263    HA   ARG  37           HA       ARG  37  56.409   2.555  -1.071
  264    HB2  ARG  37           HB2      ARG  37  54.593   0.953  -1.614
  265    HB3  ARG  37           HB1      ARG  37  53.983   2.089  -2.818
  266    HG2  ARG  37           HG2      ARG  37  56.135   1.969  -4.026
  267    HG3  ARG  37           HG1      ARG  37  56.744   0.832  -2.825
  268    HD2  ARG  37           HD2      ARG  37  54.846  -0.698  -3.393
  269    HD3  ARG  37           HD1      ARG  37  54.389   0.408  -4.683
  270    HE   ARG  37           HE       ARG  37  56.697  -1.373  -4.652
  271   HH11  ARG  37          HH21      ARG  37  55.071   1.343  -6.055
  272   HH12  ARG  37          HH22      ARG  37  55.901   1.231  -7.569
  273   HH21  ARG  37          HH11      ARG  37  57.790  -1.522  -6.633
  274   HH22  ARG  37          HH12      ARG  37  57.442  -0.391  -7.899
  275    H    SER  38           HN       SER  38  53.919   4.627  -2.514
  276    HA   SER  38           HA       SER  38  55.567   5.632  -4.625
  277    HB2  SER  38           HB2      SER  38  53.091   6.877  -3.428
  278    HB3  SER  38           HB1      SER  38  53.772   7.199  -5.021
  279    HG   SER  38           HG       SER  38  53.047   4.594  -4.219
  280    H    TRP  39           HN       TRP  39  54.837   6.640  -1.332
  281    HA   TRP  39           HA       TRP  39  55.836   9.258  -1.417
  282    HB2  TRP  39           HB2      TRP  39  55.629   7.253   0.819
  283    HB3  TRP  39           HB1      TRP  39  56.228   8.889   1.069
  284    HD1  TRP  39           HD1      TRP  39  53.603   8.883  -1.562
  285    HE1  TRP  39           HE1      TRP  39  51.379   9.742  -0.599
  286    HE3  TRP  39           HE3      TRP  39  54.687   8.732   3.425
  287    HZ2  TRP  39           HZ2      TRP  39  50.206  10.299   1.953
  288    HZ3  TRP  39           HZ3      TRP  39  53.001   9.433   5.099
  289    HH2  TRP  39           HH2      TRP  39  50.763  10.215   4.370
  290    H    LYS  40           HN       LYS  40  57.548   6.178  -1.043
  291    HA   LYS  40           HA       LYS  40  59.976   7.156  -0.075
  292    HB2  LYS  40           HB2      LYS  40  59.403   4.744  -0.337
  293    HB3  LYS  40           HB1      LYS  40  59.593   4.921  -2.083
  294    HG2  LYS  40           HG2      LYS  40  61.930   5.603  -1.788
  295    HG3  LYS  40           HG1      LYS  40  61.756   5.502  -0.035
  296    HD2  LYS  40           HD2      LYS  40  61.249   3.092  -0.224
  297    HD3  LYS  40           HD1      LYS  40  61.433   3.191  -1.976
  298    HE2  LYS  40           HE2      LYS  40  63.774   3.914  -1.696
  299    HE3  LYS  40           HE1      LYS  40  63.594   3.819   0.057
  300    HZ1  LYS  40           HZ1      LYS  40  63.996   1.720  -1.860
  301    HZ2  LYS  40           HZ2      LYS  40  62.716   1.404  -0.789
  302    HZ3  LYS  40           HZ3      LYS  40  64.273   1.723  -0.187
  303    H    ARG  41           HN       ARG  41  58.784   6.986  -3.485
  304    HA   ARG  41           HA       ARG  41  61.204   7.842  -4.643
  305    HB2  ARG  41           HB2      ARG  41  59.298   6.903  -5.920
  306    HB3  ARG  41           HB1      ARG  41  58.384   8.375  -5.605
  307    HG2  ARG  41           HG2      ARG  41  60.116   9.702  -6.771
  308    HG3  ARG  41           HG1      ARG  41  61.023   8.224  -7.094
  309    HD2  ARG  41           HD2      ARG  41  58.174   8.698  -8.006
  310    HD3  ARG  41           HD1      ARG  41  59.590   8.973  -9.016
  311    HE   ARG  41           HE       ARG  41  59.737   6.354  -8.005
  312   HH11  ARG  41          HH21      ARG  41  57.794   8.316 -10.091
  313   HH12  ARG  41          HH22      ARG  41  57.314   6.999 -11.109
  314   HH21  ARG  41          HH11      ARG  41  59.116   4.625  -9.336
  315   HH22  ARG  41          HH12      ARG  41  58.064   4.908 -10.681
  316    H    HIS  42           HN       HIS  42  58.423   9.554  -3.488
  317    HA   HIS  42           HA       HIS  42  59.334  12.213  -4.081
  318    HB2  HIS  42           HB2      HIS  42  57.154  11.214  -2.243
  319    HB3  HIS  42           HB1      HIS  42  57.446  12.916  -2.602
  320    HD2  HIS  42           HD2      HIS  42  55.557   9.947  -4.117
  321    HE1  HIS  42           HE1      HIS  42  55.840  12.847  -7.171
  322    HE2  HIS  42           HE2      HIS  42  54.721  10.674  -6.480
  323    H    LEU  43           HN       LEU  43  59.527  10.089  -1.334
  324    HA   LEU  43           HA       LEU  43  60.580  12.071   0.489
  325    HB2  LEU  43           HB2      LEU  43  59.131   9.991   1.074
  326    HB3  LEU  43           HB1      LEU  43  60.642   9.105   0.947
  327    HG   LEU  43           HG       LEU  43  61.651  10.686   2.614
  328   HD11  LEU  43          HD11      LEU  43  60.525  12.627   2.931
  329   HD12  LEU  43          HD12      LEU  43  59.434  11.684   3.944
  330   HD13  LEU  43          HD13      LEU  43  59.038  11.969   2.251
  331   HD21  LEU  43          HD21      LEU  43  60.555   9.667   4.540
  332   HD22  LEU  43          HD22      LEU  43  60.686   8.475   3.246
  333   HD23  LEU  43          HD23      LEU  43  59.144   9.271   3.558
  334    H    SER  44           HN       SER  44  61.889  10.257  -2.024
  335    HA   SER  44           HA       SER  44  64.260   9.226  -1.104
  336    HB2  SER  44           HB2      SER  44  65.149   9.601  -3.375
  337    HB3  SER  44           HB1      SER  44  63.508   8.957  -3.406
  338    HG   SER  44           HG       SER  44  63.980  10.826  -4.803
  339    H    ARG  45           HN       ARG  45  63.713  12.684  -2.006
  340    HA   ARG  45           HA       ARG  45  66.413  13.427  -1.765
  341    HB2  ARG  45           HB2      ARG  45  63.869  15.001  -1.332
  342    HB3  ARG  45           HB1      ARG  45  65.475  15.733  -1.279
  343    HG2  ARG  45           HG2      ARG  45  65.931  14.967  -3.563
  344    HG3  ARG  45           HG1      ARG  45  64.353  14.178  -3.630
  345    HD2  ARG  45           HD2      ARG  45  63.248  16.356  -3.314
  346    HD3  ARG  45           HD1      ARG  45  64.818  17.150  -3.247
  347    HE   ARG  45           HE       ARG  45  63.512  16.064  -5.631
  348   HH11  ARG  45          HH21      ARG  45  66.351  17.365  -4.125
  349   HH12  ARG  45          HH22      ARG  45  67.086  17.846  -5.616
  350   HH21  ARG  45          HH11      ARG  45  64.475  16.698  -7.584
  351   HH22  ARG  45          HH12      ARG  45  66.027  17.467  -7.571
  352    H    PHE  46           HN       PHE  46  63.820  13.579   0.680
  353    HA   PHE  46           HA       PHE  46  65.490  14.497   2.784
  354    HB2  PHE  46           HB2      PHE  46  62.820  13.081   2.799
  355    HB3  PHE  46           HB1      PHE  46  63.600  13.703   4.252
  356    HD1  PHE  46           HD1      PHE  46  63.979  16.139   4.537
  357    HD2  PHE  46           HD2      PHE  46  61.833  14.563   1.166
  358    HE1  PHE  46           HE1      PHE  46  63.090  18.401   4.045
  359    HE2  PHE  46           HE2      PHE  46  60.944  16.825   0.674
  360    HZ   PHE  46           HZ       PHE  46  61.572  18.745   2.114
  361    H    TRP  47           HN       TRP  47  64.477  11.303   1.716
  362    HA   TRP  47           HA       TRP  47  65.477   9.817   3.886
  363    HB2  TRP  47           HB2      TRP  47  63.904   8.936   2.181
  364    HB3  TRP  47           HB1      TRP  47  65.221   8.931   1.006
  365    HD1  TRP  47           HD1      TRP  47  64.045   7.221   4.212
  366    HE1  TRP  47           HE1      TRP  47  65.341   5.012   4.502
  367    HE3  TRP  47           HE3      TRP  47  67.415   7.669   0.405
  368    HZ2  TRP  47           HZ2      TRP  47  67.518   3.620   3.281
  369    HZ3  TRP  47           HZ3      TRP  47  69.090   5.888  -0.010
  370    HH2  TRP  47           HH2      TRP  47  69.145   3.866   1.423
  371    H    ASN  48           HN       ASN  48  66.995  10.853   0.855
  372    HA   ASN  48           HA       ASN  48  69.408   9.414   1.143
  373    HB2  ASN  48           HB2      ASN  48  68.673  11.937  -0.330
  374    HB3  ASN  48           HB1      ASN  48  70.318  11.308  -0.343
  375   HD21  ASN  48          HD21      ASN  48  68.731  11.438  -2.736
  376   HD22  ASN  48          HD22      ASN  48  68.408   9.850  -3.237
  377    H    ASP  49           HN       ASP  49  68.409  12.630   2.236
  378    HA   ASP  49           HA       ASP  49  70.997  13.023   3.555
  379    HB2  ASP  49           HB2      ASP  49  69.846  14.851   2.220
  380    HB3  ASP  49           HB1      ASP  49  68.654  14.923   3.517
  381    H    PHE  50           HN       PHE  50  71.197  12.098   5.494
  382    HA   PHE  50           HA       PHE  50  69.326  11.043   7.157
  383    HB2  PHE  50           HB2      PHE  50  71.717  10.850   7.601
  384    HB3  PHE  50           HB1      PHE  50  71.802  12.566   7.998
  385    HD1  PHE  50           HD1      PHE  50  70.052   9.405   8.981
  386    HD2  PHE  50           HD2      PHE  50  71.419  13.291  10.199
  387    HE1  PHE  50           HE1      PHE  50  69.399   8.901  11.320
  388    HE2  PHE  50           HE2      PHE  50  70.766  12.787  12.538
  389    HZ   PHE  50           HZ       PHE  50  69.756  10.592  13.099
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1  10.152   5.515 -12.297
    2    H2   MET   1           HT2      MET   1  11.152   6.302 -11.166
    3    H3   MET   1           HT3      MET   1   9.469   6.555 -11.143
    4    HA   MET   1           HA       MET   1   9.473   3.945 -10.867
    5    HB2  MET   1           HB2      MET   1  11.963   3.878 -10.913
    6    HB3  MET   1           HB1      MET   1  11.990   4.876  -9.453
    7    HG2  MET   1           HG2      MET   1  10.712   3.182  -8.247
    8    HG3  MET   1           HG1      MET   1  10.589   2.205  -9.712
    9    HE1  MET   1           HE1      MET   1  12.626   3.866  -7.133
   10    HE2  MET   1           HE2      MET   1  13.896   4.219  -8.307
   11    HE3  MET   1           HE3      MET   1  14.174   3.020  -7.046
   12    H    ALA   2           HN       ALA   2   7.562   4.680  -9.967
   13    HA   ALA   2           HA       ALA   2   7.428   6.479  -7.768
   14    HB1  ALA   2           HB1      ALA   2   5.232   6.385  -8.258
   15    HB2  ALA   2           HB2      ALA   2   5.179   4.682  -7.795
   16    HB3  ALA   2           HB3      ALA   2   5.577   5.133  -9.450
   17    H    GLU   3           HN       GLU   3   7.328   6.106  -5.589
   18    HA   GLU   3           HA       GLU   3   8.081   3.398  -4.673
   19    HB2  GLU   3           HB2      GLU   3   8.433   6.095  -3.339
   20    HB3  GLU   3           HB1      GLU   3   8.864   4.552  -2.617
   21    HG2  GLU   3           HG2      GLU   3  10.894   5.271  -3.544
   22    HG3  GLU   3           HG1      GLU   3  10.251   4.190  -4.784
   23    H    ALA   4           HN       ALA   4   6.560   2.236  -3.686
   24    HA   ALA   4           HA       ALA   4   3.982   3.248  -3.094
   25    HB1  ALA   4           HB1      ALA   4   3.455   1.078  -2.647
   26    HB2  ALA   4           HB2      ALA   4   4.905   0.817  -1.685
   27    HB3  ALA   4           HB3      ALA   4   4.997   0.776  -3.448
   28    H    HIS   5           HN       HIS   5   6.857   2.618  -1.145
   29    HA   HIS   5           HA       HIS   5   5.508   3.846   1.178
   30    HB2  HIS   5           HB2      HIS   5   7.828   1.908   1.057
   31    HB3  HIS   5           HB1      HIS   5   7.253   2.684   2.535
   32    HD2  HIS   5           HD2      HIS   5   4.796   1.657   3.536
   33    HE1  HIS   5           HE1      HIS   5   4.322  -1.326   0.587
   34    HE2  HIS   5           HE2      HIS   5   3.444  -0.454   2.804
   35    H    GLN   6           HN       GLN   6   6.237   5.720   1.925
   36    HA   GLN   6           HA       GLN   6   8.811   6.747   0.881
   37    HB2  GLN   6           HB2      GLN   6   6.253   8.213   1.584
   38    HB3  GLN   6           HB1      GLN   6   7.783   9.018   1.215
   39    HG2  GLN   6           HG2      GLN   6   7.824   7.980  -1.001
   40    HG3  GLN   6           HG1      GLN   6   6.349   7.095  -0.632
   41   HE21  GLN   6          HE21      GLN   6   5.864   8.494  -2.777
   42   HE22  GLN   6          HE22      GLN   6   5.104   9.985  -2.481
   43    H    ALA   7           HN       ALA   7  10.330   7.101   2.341
   44    HA   ALA   7           HA       ALA   7   9.910   6.607   5.108
   45    HB1  ALA   7           HB1      ALA   7  12.314   8.153   4.470
   46    HB2  ALA   7           HB2      ALA   7  12.117   6.728   3.448
   47    HB3  ALA   7           HB3      ALA   7  12.164   6.558   5.202
   48    H    VAL   8           HN       VAL   8   9.703   7.966   6.829
   49    HA   VAL   8           HA       VAL   8   8.576  10.535   6.421
   50    HB   VAL   8           HB       VAL   8   8.643  10.743   8.840
   51   HG11  VAL   8          HG11      VAL   8   8.097   7.884   7.985
   52   HG12  VAL   8          HG12      VAL   8   6.972   9.231   7.807
   53   HG13  VAL   8          HG13      VAL   8   7.442   8.681   9.415
   54   HG21  VAL   8          HG21      VAL   8  10.728  10.023   9.569
   55   HG22  VAL   8          HG22      VAL   8  10.719   8.603   8.521
   56   HG23  VAL   8          HG23      VAL   8   9.745   8.622   9.989
   57    H    GLY   9           HN       GLY   9  11.801   9.427   7.341
   58    HA2  GLY   9           HA2      GLY   9  12.915  11.958   7.919
   59    HA3  GLY   9           HA1      GLY   9  13.820  10.508   7.503
   60    H    PHE  10           HN       PHE  10  12.517  10.173   4.910
   61    HA   PHE  10           HA       PHE  10  12.890  10.727   2.710
   62    HB2  PHE  10           HB2      PHE  10  12.923  13.564   3.770
   63    HB3  PHE  10           HB1      PHE  10  12.764  13.096   2.080
   64    HD1  PHE  10           HD1      PHE  10  10.794  11.436   1.526
   65    HD2  PHE  10           HD2      PHE  10  11.000  13.865   5.065
   66    HE1  PHE  10           HE1      PHE  10   8.337  11.233   1.811
   67    HE2  PHE  10           HE2      PHE  10   8.547  13.654   5.352
   68    HZ   PHE  10           HZ       PHE  10   7.216  12.340   3.726
   69    H    ARG  11           HN       ARG  11  15.111  10.831   4.991
   70    HA   ARG  11           HA       ARG  11  17.271  11.343   3.083
   71    HB2  ARG  11           HB2      ARG  11  17.143  12.671   5.803
   72    HB3  ARG  11           HB1      ARG  11  18.484  12.771   4.663
   73    HG2  ARG  11           HG2      ARG  11  16.815  13.719   2.980
   74    HG3  ARG  11           HG1      ARG  11  15.685  13.875   4.323
   75    HD2  ARG  11           HD2      ARG  11  17.900  15.006   5.416
   76    HD3  ARG  11           HD1      ARG  11  18.137  15.427   3.724
   77    HE   ARG  11           HE       ARG  11  16.182  16.552   5.497
   78   HH11  ARG  11          HH21      ARG  11  16.815  15.600   2.240
   79   HH12  ARG  11          HH22      ARG  11  15.750  16.768   1.537
   80   HH21  ARG  11          HH11      ARG  11  14.785  18.117   4.583
   81   HH22  ARG  11          HH12      ARG  11  14.601  18.195   2.864
   82    HA   PRO  12           HA       PRO  12  17.720   7.554   5.796
   83    HB2  PRO  12           HB2      PRO  12  18.758   6.467   3.246
   84    HB3  PRO  12           HB1      PRO  12  17.544   5.790   4.342
   85    HG2  PRO  12           HG2      PRO  12  16.917   6.843   1.951
   86    HG3  PRO  12           HG1      PRO  12  15.826   6.915   3.344
   87    HD2  PRO  12           HD2      PRO  12  17.508   9.076   2.154
   88    HD3  PRO  12           HD1      PRO  12  15.929   9.189   2.965
   89    H    SER  13           HN       SER  13  19.628   6.903   6.734
   90    HA   SER  13           HA       SER  13  22.034   8.376   5.995
   91    HB2  SER  13           HB2      SER  13  22.935   7.580   8.095
   92    HB3  SER  13           HB1      SER  13  21.294   8.146   8.379
   93    HG   SER  13           HG       SER  13  21.875   6.031   9.281
   94    H    LEU  14           HN       LEU  14  20.630   5.462   5.182
   95    HA   LEU  14           HA       LEU  14  23.215   4.117   4.753
   96    HB2  LEU  14           HB2      LEU  14  20.373   3.158   4.937
   97    HB3  LEU  14           HB1      LEU  14  21.589   2.176   4.122
   98    HG   LEU  14           HG       LEU  14  23.016   2.305   6.168
   99   HD11  LEU  14          HD11      LEU  14  22.433   4.216   7.341
  100   HD12  LEU  14          HD12      LEU  14  21.539   3.003   8.256
  101   HD13  LEU  14          HD13      LEU  14  20.704   3.993   7.063
  102   HD21  LEU  14          HD21      LEU  14  20.236   1.319   6.835
  103   HD22  LEU  14          HD22      LEU  14  21.773   0.691   7.428
  104   HD23  LEU  14          HD23      LEU  14  21.319   0.461   5.739
  105    H    THR  15           HN       THR  15  24.052   3.903   2.790
  106    HA   THR  15           HA       THR  15  22.331   4.395   0.442
  107    HB   THR  15           HB       THR  15  24.031   5.777  -0.565
  108    HG1  THR  15           HG1      THR  15  25.548   5.422   1.799
  109   HG21  THR  15          HG21      THR  15  23.703   7.674   0.725
  110   HG22  THR  15          HG22      THR  15  24.020   6.825   2.239
  111   HG23  THR  15          HG23      THR  15  22.474   6.614   1.419
  112    H    SER  16           HN       SER  16  23.226   3.536  -1.564
  113    HA   SER  16           HA       SER  16  24.018   0.856  -1.335
  114    HB2  SER  16           HB2      SER  16  24.252   2.716  -3.709
  115    HB3  SER  16           HB1      SER  16  24.364   0.959  -3.773
  116    HG   SER  16           HG       SER  16  22.155   2.359  -2.676
  117    H    ASP  17           HN       ASP  17  25.929   3.775  -2.019
  118    HA   ASP  17           HA       ASP  17  28.384   2.398  -2.475
  119    HB2  ASP  17           HB2      ASP  17  27.675   5.239  -1.769
  120    HB3  ASP  17           HB1      ASP  17  29.357   4.712  -1.821
  121    H    GLY  18           HN       GLY  18  29.951   1.750  -1.085
  122    HA2  GLY  18           HA2      GLY  18  31.042   1.320   0.900
  123    HA3  GLY  18           HA1      GLY  18  30.141   2.652   1.619
  124    H    ALA  19           HN       ALA  19  28.275   0.248   0.037
  125    HA   ALA  19           HA       ALA  19  26.818  -0.412   2.368
  126    HB1  ALA  19           HB1      ALA  19  25.975  -2.323   0.854
  127    HB2  ALA  19           HB2      ALA  19  26.977  -1.590  -0.395
  128    HB3  ALA  19           HB3      ALA  19  25.663  -0.668   0.337
  129    H    GLU  20           HN       GLU  20  29.458  -2.042   0.669
  130    HA   GLU  20           HA       GLU  20  29.356  -4.464   2.126
  131    HB2  GLU  20           HB2      GLU  20  31.608  -3.104   0.635
  132    HB3  GLU  20           HB1      GLU  20  31.721  -4.731   1.307
  133    HG2  GLU  20           HG2      GLU  20  29.823  -5.458  -0.062
  134    HG3  GLU  20           HG1      GLU  20  29.624  -3.825  -0.690
  135    H    VAL  21           HN       VAL  21  31.161  -1.447   2.642
  136    HA   VAL  21           HA       VAL  21  31.814  -2.405   5.370
  137    HB   VAL  21           HB       VAL  21  33.882  -1.012   5.226
  138   HG11  VAL  21          HG11      VAL  21  33.416  -3.314   3.336
  139   HG12  VAL  21          HG12      VAL  21  34.267  -3.308   4.880
  140   HG13  VAL  21          HG13      VAL  21  35.004  -2.560   3.464
  141   HG21  VAL  21          HG21      VAL  21  33.274   0.559   3.510
  142   HG22  VAL  21          HG22      VAL  21  32.950  -0.735   2.355
  143   HG23  VAL  21          HG23      VAL  21  34.604  -0.405   2.869
  144    H    GLU  22           HN       GLU  22  31.132  -1.110   6.997
  145    HA   GLU  22           HA       GLU  22  29.508   1.161   6.468
  146    HB2  GLU  22           HB2      GLU  22  30.794   0.197   9.032
  147    HB3  GLU  22           HB1      GLU  22  29.607   1.500   8.941
  148    HG2  GLU  22           HG2      GLU  22  29.126  -1.331   7.967
  149    HG3  GLU  22           HG1      GLU  22  28.584  -0.706   9.521
  150    H    LEU  23           HN       LEU  23  32.858   0.774   7.530
  151    HA   LEU  23           HA       LEU  23  33.220   3.687   7.527
  152    HB2  LEU  23           HB2      LEU  23  35.010   1.403   8.367
  153    HB3  LEU  23           HB1      LEU  23  35.501   3.093   8.406
  154    HG   LEU  23           HG       LEU  23  33.055   1.995   9.824
  155   HD11  LEU  23          HD11      LEU  23  34.429   2.272  11.887
  156   HD12  LEU  23          HD12      LEU  23  35.828   2.625  10.873
  157   HD13  LEU  23          HD13      LEU  23  35.067   1.035  10.805
  158   HD21  LEU  23          HD21      LEU  23  33.711   4.276  11.115
  159   HD22  LEU  23          HD22      LEU  23  32.603   4.246   9.744
  160   HD23  LEU  23          HD23      LEU  23  34.292   4.691   9.507
  161    H    SER  24           HN       SER  24  35.808   1.535   6.748
  162    HA   SER  24           HA       SER  24  35.939   1.224   4.089
  163    HB2  SER  24           HB2      SER  24  37.277   3.432   3.469
  164    HB3  SER  24           HB1      SER  24  35.526   3.371   3.330
  165    HG   SER  24           HG       SER  24  35.641   5.023   4.632
  166    H    ALA  25           HN       ALA  25  37.189   0.901   6.908
  167    HA   ALA  25           HA       ALA  25  39.833   1.594   6.965
  168    HB1  ALA  25           HB1      ALA  25  38.190  -0.300   8.339
  169    HB2  ALA  25           HB2      ALA  25  39.688   0.461   8.873
  170    HB3  ALA  25           HB3      ALA  25  39.743  -1.050   7.968
  171    HA   PRO  26           HA       PRO  26  41.002  -2.549   4.613
  172    HB2  PRO  26           HB2      PRO  26  38.666  -2.625   2.765
  173    HB3  PRO  26           HB1      PRO  26  39.548  -3.961   3.529
  174    HG2  PRO  26           HG2      PRO  26  37.125  -3.227   4.365
  175    HG3  PRO  26           HG1      PRO  26  38.371  -3.803   5.488
  176    HD2  PRO  26           HD2      PRO  26  37.385  -1.016   5.037
  177    HD3  PRO  26           HD1      PRO  26  37.992  -1.777   6.525
  178    H    VAL  27           HN       VAL  27  38.983  -0.169   2.883
  179    HA   VAL  27           HA       VAL  27  40.664   0.030   0.580
  180    HB   VAL  27           HB       VAL  27  38.548   1.860   1.731
  181   HG11  VAL  27          HG11      VAL  27  38.671   2.637  -0.816
  182   HG12  VAL  27          HG12      VAL  27  40.353   2.139  -0.640
  183   HG13  VAL  27          HG13      VAL  27  39.688   3.387   0.412
  184   HG21  VAL  27          HG21      VAL  27  37.253   0.983  -0.209
  185   HG22  VAL  27          HG22      VAL  27  37.711  -0.287   0.923
  186   HG23  VAL  27          HG23      VAL  27  38.599  -0.091  -0.589
  187    H    LEU  28           HN       LEU  28  40.324   1.886   3.565
  188    HA   LEU  28           HA       LEU  28  42.177   3.922   2.935
  189    HB2  LEU  28           HB2      LEU  28  41.263   2.804   5.580
  190    HB3  LEU  28           HB1      LEU  28  42.337   4.192   5.449
  191    HG   LEU  28           HG       LEU  28  39.627   4.019   4.092
  192   HD11  LEU  28          HD11      LEU  28  39.203   4.010   6.448
  193   HD12  LEU  28          HD12      LEU  28  38.969   5.673   5.901
  194   HD13  LEU  28          HD13      LEU  28  40.455   5.219   6.741
  195   HD21  LEU  28          HD21      LEU  28  40.574   5.765   2.961
  196   HD22  LEU  28          HD22      LEU  28  41.833   6.004   4.170
  197   HD23  LEU  28          HD23      LEU  28  40.223   6.667   4.435
  198    H    GLN  29           HN       GLN  29  42.583   0.788   4.537
  199    HA   GLN  29           HA       GLN  29  45.296   1.134   5.243
  200    HB2  GLN  29           HB2      GLN  29  43.848  -0.647   6.175
  201    HB3  GLN  29           HB1      GLN  29  43.832  -1.442   4.602
  202    HG2  GLN  29           HG2      GLN  29  46.284  -1.698   4.699
  203    HG3  GLN  29           HG1      GLN  29  46.308  -0.898   6.269
  204   HE21  GLN  29          HE21      GLN  29  46.352  -2.354   7.985
  205   HE22  GLN  29          HE22      GLN  29  45.682  -3.915   7.956
  206    H    GLU  30           HN       GLU  30  43.755  -0.158   2.301
  207    HA   GLU  30           HA       GLU  30  46.181  -0.955   1.035
  208    HB2  GLU  30           HB2      GLU  30  43.466  -0.250  -0.101
  209    HB3  GLU  30           HB1      GLU  30  44.801  -0.875  -1.068
  210    HG2  GLU  30           HG2      GLU  30  44.892  -2.897   0.298
  211    HG3  GLU  30           HG1      GLU  30  43.630  -2.269   1.354
  212    H    ILE  31           HN       ILE  31  44.276   2.066   0.960
  213    HA   ILE  31           HA       ILE  31  45.863   3.366  -1.008
  214    HB   ILE  31           HB       ILE  31  44.169   4.458   1.244
  215   HG12  ILE  31          HG12      ILE  31  43.663   4.415  -1.737
  216   HG13  ILE  31          HG11      ILE  31  43.098   3.141  -0.654
  217   HG21  ILE  31          HG21      ILE  31  45.696   6.207   0.742
  218   HG22  ILE  31          HG22      ILE  31  44.274   6.568  -0.238
  219   HG23  ILE  31          HG23      ILE  31  45.694   5.823  -0.979
  220   HD11  ILE  31          HD11      ILE  31  41.949   4.924   0.707
  221   HD12  ILE  31          HD12      ILE  31  41.300   4.729  -0.917
  222   HD13  ILE  31          HD13      ILE  31  42.371   6.080  -0.556
  223    H    TYR  32           HN       TYR  32  45.990   3.269   2.552
  224    HA   TYR  32           HA       TYR  32  48.115   5.082   2.866
  225    HB2  TYR  32           HB2      TYR  32  46.762   4.390   4.752
  226    HB3  TYR  32           HB1      TYR  32  47.292   2.719   4.567
  227    HD1  TYR  32           HD1      TYR  32  48.493   6.175   5.274
  228    HD2  TYR  32           HD2      TYR  32  49.336   1.969   5.521
  229    HE1  TYR  32           HE1      TYR  32  50.478   6.654   6.680
  230    HE2  TYR  32           HE2      TYR  32  51.319   2.450   6.930
  231    HH   TYR  32           HH       TYR  32  52.893   4.430   7.264
  232    H    LEU  33           HN       LEU  33  48.135   1.524   2.582
  233    HA   LEU  33           HA       LEU  33  50.936   1.214   2.784
  234    HB2  LEU  33           HB2      LEU  33  49.382  -0.669   3.036
  235    HB3  LEU  33           HB1      LEU  33  48.893  -0.504   1.352
  236    HG   LEU  33           HG       LEU  33  51.176  -1.042   0.612
  237   HD11  LEU  33          HD11      LEU  33  52.665  -2.001   2.569
  238   HD12  LEU  33          HD12      LEU  33  51.702  -0.914   3.565
  239   HD13  LEU  33          HD13      LEU  33  52.665  -0.270   2.235
  240   HD21  LEU  33          HD21      LEU  33  50.605  -3.215   0.707
  241   HD22  LEU  33          HD22      LEU  33  49.362  -2.790   1.886
  242   HD23  LEU  33          HD23      LEU  33  50.966  -3.274   2.433
  243    H    SER  34           HN       SER  34  48.775   1.653   0.025
  244    HA   SER  34           HA       SER  34  50.709   1.384  -2.022
  245    HB2  SER  34           HB2      SER  34  48.283   1.283  -2.440
  246    HB3  SER  34           HB1      SER  34  48.135   2.980  -2.000
  247    HG   SER  34           HG       SER  34  49.238   1.786  -4.273
  248    H    GLY  35           HN       GLY  35  49.498   4.201  -0.219
  249    HA2  GLY  35           HA2      GLY  35  50.895   6.169  -1.676
  250    HA3  GLY  35           HA1      GLY  35  50.276   6.344  -0.037
  251    H    LEU  36           HN       LEU  36  51.826   4.228   1.160
  252    HA   LEU  36           HA       LEU  36  54.167   5.642   1.801
  253    HB2  LEU  36           HB2      LEU  36  53.145   4.016   3.315
  254    HB3  LEU  36           HB1      LEU  36  53.508   2.714   2.185
  255    HG   LEU  36           HG       LEU  36  55.921   3.143   2.449
  256   HD11  LEU  36          HD11      LEU  36  54.869   5.466   4.011
  257   HD12  LEU  36          HD12      LEU  36  56.253   5.382   2.921
  258   HD13  LEU  36          HD13      LEU  36  56.373   4.719   4.551
  259   HD21  LEU  36          HD21      LEU  36  54.454   2.892   5.095
  260   HD22  LEU  36          HD22      LEU  36  56.127   2.415   4.802
  261   HD23  LEU  36          HD23      LEU  36  54.812   1.565   3.989
  262    H    ARG  37           HN       ARG  37  53.599   2.912  -0.395
  263    HA   ARG  37           HA       ARG  37  56.295   2.457  -1.102
  264    HB2  ARG  37           HB2      ARG  37  54.441   0.892  -1.589
  265    HB3  ARG  37           HB1      ARG  37  53.795   2.041  -2.761
  266    HG2  ARG  37           HG2      ARG  37  55.896   1.901  -4.051
  267    HG3  ARG  37           HG1      ARG  37  56.526   0.738  -2.882
  268    HD2  ARG  37           HD2      ARG  37  54.560  -0.739  -3.395
  269    HD3  ARG  37           HD1      ARG  37  54.107   0.387  -4.671
  270    HE   ARG  37           HE       ARG  37  56.832  -0.513  -4.897
  271   HH11  ARG  37          HH21      ARG  37  53.514  -1.246  -5.493
  272   HH12  ARG  37          HH22      ARG  37  53.836  -2.271  -6.851
  273   HH21  ARG  37          HH11      ARG  37  57.276  -1.854  -6.671
  274   HH22  ARG  37          HH12      ARG  37  55.972  -2.609  -7.526
  275    H    SER  38           HN       SER  38  53.796   4.569  -2.480
  276    HA   SER  38           HA       SER  38  55.410   5.570  -4.624
  277    HB2  SER  38           HB2      SER  38  53.593   7.246  -4.851
  278    HB3  SER  38           HB1      SER  38  52.981   5.597  -4.788
  279    HG   SER  38           HG       SER  38  52.624   5.952  -2.529
  280    H    TRP  39           HN       TRP  39  54.763   6.553  -1.324
  281    HA   TRP  39           HA       TRP  39  55.725   9.190  -1.402
  282    HB2  TRP  39           HB2      TRP  39  55.574   7.169   0.825
  283    HB3  TRP  39           HB1      TRP  39  56.126   8.816   1.076
  284    HD1  TRP  39           HD1      TRP  39  53.502   8.942  -1.502
  285    HE1  TRP  39           HE1      TRP  39  51.256   9.648  -0.481
  286    HE3  TRP  39           HE3      TRP  39  54.547   8.336   3.463
  287    HZ2  TRP  39           HZ2      TRP  39  50.050   9.929   2.082
  288    HZ3  TRP  39           HZ3      TRP  39  52.821   8.835   5.172
  289    HH2  TRP  39           HH2      TRP  39  50.575   9.629   4.486
  290    H    LYS  40           HN       LYS  40  57.468   6.121  -1.090
  291    HA   LYS  40           HA       LYS  40  59.895   7.122  -0.120
  292    HB2  LYS  40           HB2      LYS  40  59.334   4.845  -2.035
  293    HB3  LYS  40           HB1      LYS  40  60.921   5.159  -1.329
  294    HG2  LYS  40           HG2      LYS  40  59.935   4.956   0.936
  295    HG3  LYS  40           HG1      LYS  40  58.372   4.596   0.207
  296    HD2  LYS  40           HD2      LYS  40  59.325   2.603  -0.887
  297    HD3  LYS  40           HD1      LYS  40  60.896   2.963  -0.170
  298    HE2  LYS  40           HE2      LYS  40  59.944   2.751   2.083
  299    HE3  LYS  40           HE1      LYS  40  58.357   2.411   1.393
  300    HZ1  LYS  40           HZ1      LYS  40  59.484   0.498   0.218
  301    HZ2  LYS  40           HZ2      LYS  40  59.301   0.337   1.899
  302    HZ3  LYS  40           HZ3      LYS  40  60.809   0.758   1.241
  303    H    ARG  41           HN       ARG  41  58.670   7.039  -3.528
  304    HA   ARG  41           HA       ARG  41  61.125   7.928  -4.629
  305    HB2  ARG  41           HB2      ARG  41  58.287   8.218  -5.620
  306    HB3  ARG  41           HB1      ARG  41  59.694   8.751  -6.541
  307    HG2  ARG  41           HG2      ARG  41  60.617   6.447  -6.421
  308    HG3  ARG  41           HG1      ARG  41  59.149   5.928  -5.585
  309    HD2  ARG  41           HD2      ARG  41  59.199   7.217  -8.323
  310    HD3  ARG  41           HD1      ARG  41  59.085   5.483  -8.044
  311    HE   ARG  41           HE       ARG  41  56.975   7.447  -7.669
  312   HH11  ARG  41          HH21      ARG  41  58.183   4.271  -6.979
  313   HH12  ARG  41          HH22      ARG  41  56.628   3.617  -6.599
  314   HH21  ARG  41          HH11      ARG  41  54.935   6.583  -7.192
  315   HH22  ARG  41          HH12      ARG  41  54.789   4.922  -6.729
  316    H    HIS  42           HN       HIS  42  58.330   9.603  -3.438
  317    HA   HIS  42           HA       HIS  42  59.216  12.275  -4.055
  318    HB2  HIS  42           HB2      HIS  42  57.027  11.223  -2.250
  319    HB3  HIS  42           HB1      HIS  42  57.344  12.943  -2.486
  320    HD2  HIS  42           HD2      HIS  42  56.482  13.983  -4.945
  321    HE1  HIS  42           HE1      HIS  42  54.974  10.367  -6.516
  322    HE2  HIS  42           HE2      HIS  42  55.101  12.879  -6.865
  323    H    LEU  43           HN       LEU  43  59.431  10.160  -1.293
  324    HA   LEU  43           HA       LEU  43  60.570  12.162   0.465
  325    HB2  LEU  43           HB2      LEU  43  59.804   9.285   0.768
  326    HB3  LEU  43           HB1      LEU  43  60.940   9.993   1.902
  327    HG   LEU  43           HG       LEU  43  58.402  10.048   2.487
  328   HD11  LEU  43          HD11      LEU  43  59.549  11.261   4.021
  329   HD12  LEU  43          HD12      LEU  43  58.885  12.646   3.158
  330   HD13  LEU  43          HD13      LEU  43  60.516  12.088   2.801
  331   HD21  LEU  43          HD21      LEU  43  57.920  11.164   0.136
  332   HD22  LEU  43          HD22      LEU  43  58.388  12.645   0.964
  333   HD23  LEU  43          HD23      LEU  43  57.037  11.695   1.559
  334    H    SER  44           HN       SER  44  61.761  10.286  -2.025
  335    HA   SER  44           HA       SER  44  64.097   9.166  -1.128
  336    HB2  SER  44           HB2      SER  44  64.954   9.420  -3.395
  337    HB3  SER  44           HB1      SER  44  63.252   8.972  -3.429
  338    HG   SER  44           HG       SER  44  62.880  11.328  -3.545
  339    H    ARG  45           HN       ARG  45  63.646  12.638  -2.003
  340    HA   ARG  45           HA       ARG  45  66.368  13.323  -1.788
  341    HB2  ARG  45           HB2      ARG  45  63.866  14.959  -1.305
  342    HB3  ARG  45           HB1      ARG  45  65.492  15.643  -1.297
  343    HG2  ARG  45           HG2      ARG  45  65.868  14.874  -3.591
  344    HG3  ARG  45           HG1      ARG  45  64.277  14.114  -3.617
  345    HD2  ARG  45           HD2      ARG  45  64.723  17.072  -3.155
  346    HD3  ARG  45           HD1      ARG  45  64.354  16.369  -4.725
  347    HE   ARG  45           HE       ARG  45  62.394  15.493  -2.914
  348   HH11  ARG  45          HH21      ARG  45  63.583  18.391  -4.363
  349   HH12  ARG  45          HH22      ARG  45  62.047  19.193  -4.367
  350   HH21  ARG  45          HH11      ARG  45  60.365  16.531  -2.903
  351   HH22  ARG  45          HH12      ARG  45  60.219  18.136  -3.540
  352    H    PHE  46           HN       PHE  46  63.788  13.514   0.671
  353    HA   PHE  46           HA       PHE  46  65.433  14.419   2.789
  354    HB2  PHE  46           HB2      PHE  46  62.789  12.969   2.747
  355    HB3  PHE  46           HB1      PHE  46  63.544  13.559   4.230
  356    HD1  PHE  46           HD2      PHE  46  63.885  15.995   4.590
  357    HD2  PHE  46           HD1      PHE  46  61.817  14.486   1.140
  358    HE1  PHE  46           HE2      PHE  46  62.974  18.260   4.144
  359    HE2  PHE  46           HE1      PHE  46  60.909  16.748   0.694
  360    HZ   PHE  46           HZ       PHE  46  61.485  18.637   2.194
  361    H    TRP  47           HN       TRP  47  64.436  11.213   1.744
  362    HA   TRP  47           HA       TRP  47  65.467   9.742   3.910
  363    HB2  TRP  47           HB2      TRP  47  63.946   8.673   2.423
  364    HB3  TRP  47           HB1      TRP  47  64.965   9.019   1.027
  365    HD1  TRP  47           HD1      TRP  47  66.655   7.221   0.369
  366    HE1  TRP  47           HE1      TRP  47  67.562   5.075   1.478
  367    HE3  TRP  47           HE3      TRP  47  64.523   7.648   4.991
  368    HZ2  TRP  47           HZ2      TRP  47  67.410   3.727   3.995
  369    HZ3  TRP  47           HZ3      TRP  47  64.926   5.922   6.727
  370    HH2  TRP  47           HH2      TRP  47  66.367   3.964   6.233
  371    H    ASN  48           HN       ASN  48  66.947  10.702   0.828
  372    HA   ASN  48           HA       ASN  48  69.381   9.305   1.164
  373    HB2  ASN  48           HB2      ASN  48  68.679  10.232  -0.994
  374    HB3  ASN  48           HB1      ASN  48  68.811  11.866  -0.346
  375   HD21  ASN  48          HD21      ASN  48  70.357  11.206  -2.577
  376   HD22  ASN  48          HD22      ASN  48  71.990  11.089  -2.133
  377    H    ASP  49           HN       ASP  49  68.344  12.565   2.112
  378    HA   ASP  49           HA       ASP  49  70.845  13.497   3.022
  379    HB2  ASP  49           HB2      ASP  49  68.920  14.976   2.661
  380    HB3  ASP  49           HB1      ASP  49  68.073  14.212   4.004
  381    H    PHE  50           HN       PHE  50  68.255  11.709   4.634
  382    HA   PHE  50           HA       PHE  50  70.145  11.119   6.827
  383    HB2  PHE  50           HB2      PHE  50  67.218  11.845   7.074
  384    HB3  PHE  50           HB1      PHE  50  68.177  11.145   8.383
  385    HD1  PHE  50           HD1      PHE  50  70.129  12.374   9.308
  386    HD2  PHE  50           HD2      PHE  50  67.492  14.141   6.414
  387    HE1  PHE  50           HE1      PHE  50  71.017  14.621   9.870
  388    HE2  PHE  50           HE2      PHE  50  68.377  16.387   6.976
  389    HZ   PHE  50           HZ       PHE  50  70.141  16.628   8.704
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1  22.143   2.559   6.701
    2    H2   MET   1           HT2      MET   1  21.158   1.367   7.404
    3    H3   MET   1           HT3      MET   1  22.576   1.875   8.191
    4    HA   MET   1           HA       MET   1  20.761   4.029   7.617
    5    HB2  MET   1           HB2      MET   1  19.948   1.737   9.421
    6    HB3  MET   1           HB1      MET   1  19.217   3.342   9.481
    7    HG2  MET   1           HG2      MET   1  18.513   3.154   7.153
    8    HG3  MET   1           HG1      MET   1  19.329   1.600   7.002
    9    HE1  MET   1           HE1      MET   1  16.757   3.738   8.516
   10    HE2  MET   1           HE2      MET   1  16.986   2.982  10.089
   11    HE3  MET   1           HE3      MET   1  15.499   2.694   9.192
   12    H    ALA   2           HN       ALA   2  21.309   5.662   8.966
   13    HA   ALA   2           HA       ALA   2  23.631   5.455  10.580
   14    HB1  ALA   2           HB1      ALA   2  23.542   7.702  10.553
   15    HB2  ALA   2           HB2      ALA   2  21.908   7.725  11.215
   16    HB3  ALA   2           HB3      ALA   2  22.153   7.524   9.480
   17    H    GLU   3           HN       GLU   3  23.898   5.458  12.821
   18    HA   GLU   3           HA       GLU   3  21.966   4.056  14.351
   19    HB2  GLU   3           HB2      GLU   3  24.368   5.688  15.233
   20    HB3  GLU   3           HB1      GLU   3  23.434   4.627  16.289
   21    HG2  GLU   3           HG2      GLU   3  24.832   3.707  13.755
   22    HG3  GLU   3           HG1      GLU   3  25.484   3.525  15.385
   23    H    ALA   4           HN       ALA   4  22.835   7.476  14.132
   24    HA   ALA   4           HA       ALA   4  20.249   8.383  14.885
   25    HB1  ALA   4           HB1      ALA   4  21.029   9.468  17.065
   26    HB2  ALA   4           HB2      ALA   4  22.382   8.337  17.017
   27    HB3  ALA   4           HB3      ALA   4  20.730   7.730  17.115
   28    H    HIS   5           HN       HIS   5  23.320   8.782  13.684
   29    HA   HIS   5           HA       HIS   5  23.772  11.554  14.095
   30    HB2  HIS   5           HB2      HIS   5  24.757   9.632  11.978
   31    HB3  HIS   5           HB1      HIS   5  25.258  11.322  12.042
   32    HD2  HIS   5           HD2      HIS   5  27.094  11.944  14.096
   33    HE1  HIS   5           HE1      HIS   5  27.304   8.071  15.758
   34    HE2  HIS   5           HE2      HIS   5  28.268  10.418  15.859
   35    H    GLN   6           HN       GLN   6  22.127   9.723  11.557
   36    HA   GLN   6           HA       GLN   6  20.952  10.432   9.694
   37    HB2  GLN   6           HB2      GLN   6  19.298  10.655  11.504
   38    HB3  GLN   6           HB1      GLN   6  19.845  12.306  11.804
   39    HG2  GLN   6           HG2      GLN   6  19.147  13.000   9.584
   40    HG3  GLN   6           HG1      GLN   6  18.763  11.338   9.143
   41   HE21  GLN   6          HE21      GLN   6  16.779  13.395   9.017
   42   HE22  GLN   6          HE22      GLN   6  15.609  13.074  10.205
   43    H    ALA   7           HN       ALA   7  22.691  11.303   8.466
   44    HA   ALA   7           HA       ALA   7  23.611  13.981   8.760
   45    HB1  ALA   7           HB1      ALA   7  23.963  13.113   6.073
   46    HB2  ALA   7           HB2      ALA   7  24.216  11.721   7.124
   47    HB3  ALA   7           HB3      ALA   7  25.168  13.187   7.360
   48    H    VAL   8           HN       VAL   8  23.049  15.852   7.668
   49    HA   VAL   8           HA       VAL   8  20.743  15.713   5.835
   50    HB   VAL   8           HB       VAL   8  19.791  17.720   6.958
   51   HG11  VAL   8          HG11      VAL   8  18.961  15.464   7.538
   52   HG12  VAL   8          HG12      VAL   8  18.973  16.495   8.972
   53   HG13  VAL   8          HG13      VAL   8  20.241  15.294   8.738
   54   HG21  VAL   8          HG21      VAL   8  22.008  17.130   8.949
   55   HG22  VAL   8          HG22      VAL   8  20.683  18.259   9.238
   56   HG23  VAL   8          HG23      VAL   8  21.852  18.580   7.958
   57    H    GLY   9           HN       GLY   9  20.501  17.661   4.515
   58    HA2  GLY   9           HA2      GLY   9  22.460  19.701   4.383
   59    HA3  GLY   9           HA1      GLY   9  22.871  18.421   3.246
   60    H    PHE  10           HN       PHE  10  22.401  20.753   2.103
   61    HA   PHE  10           HA       PHE  10  19.633  21.185   1.461
   62    HB2  PHE  10           HB2      PHE  10  22.123  22.228   0.086
   63    HB3  PHE  10           HB1      PHE  10  20.481  22.837  -0.118
   64    HD1  PHE  10           HD1      PHE  10  19.266  23.823   1.846
   65    HD2  PHE  10           HD2      PHE  10  23.455  22.884   1.956
   66    HE1  PHE  10           HE1      PHE  10  19.545  25.297   3.820
   67    HE2  PHE  10           HE2      PHE  10  23.731  24.355   3.934
   68    HZ   PHE  10           HZ       PHE  10  21.777  25.566   4.859
   69    H    ARG  11           HN       ARG  11  18.525  20.613  -0.381
   70    HA   ARG  11           HA       ARG  11  17.918  19.075  -2.008
   71    HB2  ARG  11           HB2      ARG  11  20.549  20.100  -3.099
   72    HB3  ARG  11           HB1      ARG  11  19.288  19.306  -4.044
   73    HG2  ARG  11           HG2      ARG  11  17.698  21.121  -3.211
   74    HG3  ARG  11           HG1      ARG  11  19.127  21.964  -2.608
   75    HD2  ARG  11           HD2      ARG  11  20.035  21.584  -5.036
   76    HD3  ARG  11           HD1      ARG  11  18.333  21.374  -5.442
   77    HE   ARG  11           HE       ARG  11  18.033  23.655  -5.123
   78   HH11  ARG  11          HH21      ARG  11  21.018  22.581  -3.736
   79   HH12  ARG  11          HH22      ARG  11  21.578  24.178  -3.365
   80   HH21  ARG  11          HH11      ARG  11  18.769  25.746  -4.644
   81   HH22  ARG  11          HH12      ARG  11  20.307  25.966  -3.880
   82    HA   PRO  12           HA       PRO  12  20.664  15.745  -0.217
   83    HB2  PRO  12           HB2      PRO  12  18.006  14.399  -0.371
   84    HB3  PRO  12           HB1      PRO  12  19.206  14.390   0.935
   85    HG2  PRO  12           HG2      PRO  12  16.977  15.815   1.133
   86    HG3  PRO  12           HG1      PRO  12  18.520  16.414   1.768
   87    HD2  PRO  12           HD2      PRO  12  17.061  17.239  -0.718
   88    HD3  PRO  12           HD1      PRO  12  18.048  18.222   0.387
   89    H    SER  13           HN       SER  13  18.126  15.600  -2.699
   90    HA   SER  13           HA       SER  13  18.973  13.252  -3.991
   91    HB2  SER  13           HB2      SER  13  17.566  15.659  -5.153
   92    HB3  SER  13           HB1      SER  13  17.686  14.074  -5.912
   93    HG   SER  13           HG       SER  13  15.799  14.023  -4.821
   94    H    LEU  14           HN       LEU  14  19.864  16.634  -4.468
   95    HA   LEU  14           HA       LEU  14  21.433  16.288  -6.777
   96    HB2  LEU  14           HB2      LEU  14  20.664  18.487  -5.999
   97    HB3  LEU  14           HB1      LEU  14  21.685  18.345  -4.569
   98    HG   LEU  14           HG       LEU  14  23.702  18.294  -5.990
   99   HD11  LEU  14          HD11      LEU  14  21.633  18.240  -8.161
  100   HD12  LEU  14          HD12      LEU  14  23.125  17.308  -8.019
  101   HD13  LEU  14          HD13      LEU  14  23.187  19.012  -8.470
  102   HD21  LEU  14          HD21      LEU  14  22.257  20.472  -5.355
  103   HD22  LEU  14          HD22      LEU  14  22.195  20.608  -7.112
  104   HD23  LEU  14          HD23      LEU  14  23.753  20.573  -6.283
  105    H    THR  15           HN       THR  15  22.273  16.168  -3.323
  106    HA   THR  15           HA       THR  15  24.904  15.029  -4.094
  107    HB   THR  15           HB       THR  15  24.263  16.720  -1.671
  108    HG1  THR  15           HG1      THR  15  24.889  17.354  -4.169
  109   HG21  THR  15          HG21      THR  15  26.882  16.673  -1.625
  110   HG22  THR  15          HG22      THR  15  26.695  15.192  -2.566
  111   HG23  THR  15          HG23      THR  15  25.982  15.312  -0.957
  112    H    SER  16           HN       SER  16  25.358  13.071  -3.406
  113    HA   SER  16           HA       SER  16  23.465  11.563  -1.866
  114    HB2  SER  16           HB2      SER  16  26.198  10.974  -2.986
  115    HB3  SER  16           HB1      SER  16  25.364   9.814  -1.950
  116    HG   SER  16           HG       SER  16  24.708   9.322  -3.973
  117    H    ASP  17           HN       ASP  17  23.686  10.717   0.210
  118    HA   ASP  17           HA       ASP  17  24.873  12.410   2.138
  119    HB2  ASP  17           HB2      ASP  17  23.762   9.595   2.282
  120    HB3  ASP  17           HB1      ASP  17  24.356  10.452   3.700
  121    H    GLY  18           HN       GLY  18  25.921   9.445   0.544
  122    HA2  GLY  18           HA2      GLY  18  28.077   8.558   0.364
  123    HA3  GLY  18           HA1      GLY  18  28.669   9.988   1.209
  124    H    ALA  19           HN       ALA  19  26.106   8.160   2.682
  125    HA   ALA  19           HA       ALA  19  27.534   7.723   5.082
  126    HB1  ALA  19           HB1      ALA  19  25.628   6.156   5.591
  127    HB2  ALA  19           HB2      ALA  19  25.049   6.433   3.948
  128    HB3  ALA  19           HB3      ALA  19  25.128   7.773   5.092
  129    H    GLU  20           HN       GLU  20  26.959   5.650   2.253
  130    HA   GLU  20           HA       GLU  20  27.845   3.619   1.639
  131    HB2  GLU  20           HB2      GLU  20  30.102   4.714   3.323
  132    HB3  GLU  20           HB1      GLU  20  30.230   3.243   2.360
  133    HG2  GLU  20           HG2      GLU  20  29.712   4.492   0.326
  134    HG3  GLU  20           HG1      GLU  20  29.488   5.970   1.264
  135    H    VAL  21           HN       VAL  21  26.529   2.115   2.513
  136    HA   VAL  21           HA       VAL  21  26.340   1.459   5.250
  137    HB   VAL  21           HB       VAL  21  25.660  -0.100   2.753
  138   HG11  VAL  21          HG11      VAL  21  24.202  -1.369   4.510
  139   HG12  VAL  21          HG12      VAL  21  25.377  -0.757   5.676
  140   HG13  VAL  21          HG13      VAL  21  25.906  -1.796   4.353
  141   HG21  VAL  21          HG21      VAL  21  24.490   2.131   3.679
  142   HG22  VAL  21          HG22      VAL  21  23.669   0.960   4.711
  143   HG23  VAL  21          HG23      VAL  21  23.554   0.821   2.957
  144    H    GLU  22           HN       GLU  22  28.202  -0.038   2.609
  145    HA   GLU  22           HA       GLU  22  29.299  -2.127   4.184
  146    HB2  GLU  22           HB2      GLU  22  30.239  -0.838   1.616
  147    HB3  GLU  22           HB1      GLU  22  30.981  -2.275   2.325
  148    HG2  GLU  22           HG2      GLU  22  28.863  -3.474   2.211
  149    HG3  GLU  22           HG1      GLU  22  28.050  -2.033   1.604
  150    H    LEU  23           HN       LEU  23  30.451   1.125   3.368
  151    HA   LEU  23           HA       LEU  23  32.426   2.206   3.984
  152    HB2  LEU  23           HB2      LEU  23  30.680   2.688   5.708
  153    HB3  LEU  23           HB1      LEU  23  31.320   1.359   6.669
  154    HG   LEU  23           HG       LEU  23  33.528   2.489   6.738
  155   HD11  LEU  23          HD11      LEU  23  33.769   3.871   4.902
  156   HD12  LEU  23          HD12      LEU  23  33.252   5.064   6.090
  157   HD13  LEU  23          HD13      LEU  23  32.086   4.401   4.944
  158   HD21  LEU  23          HD21      LEU  23  32.603   3.200   8.676
  159   HD22  LEU  23          HD22      LEU  23  31.039   3.479   7.911
  160   HD23  LEU  23          HD23      LEU  23  32.288   4.723   7.843
  161    H    SER  24           HN       SER  24  33.851   0.466   3.107
  162    HA   SER  24           HA       SER  24  34.865  -1.548   4.871
  163    HB2  SER  24           HB2      SER  24  35.619  -0.525   2.158
  164    HB3  SER  24           HB1      SER  24  36.671  -1.652   3.003
  165    HG   SER  24           HG       SER  24  35.332  -3.035   2.105
  166    H    ALA  25           HN       ALA  25  36.451  -1.469   6.316
  167    HA   ALA  25           HA       ALA  25  37.834   0.994   6.879
  168    HB1  ALA  25           HB1      ALA  25  38.013   0.078   8.909
  169    HB2  ALA  25           HB2      ALA  25  38.972  -1.252   8.258
  170    HB3  ALA  25           HB3      ALA  25  37.213  -1.368   8.297
  171    HA   PRO  26           HA       PRO  26  41.548  -1.909   5.425
  172    HB2  PRO  26           HB2      PRO  26  40.058  -3.360   3.294
  173    HB3  PRO  26           HB1      PRO  26  41.307  -3.956   4.406
  174    HG2  PRO  26           HG2      PRO  26  38.761  -4.600   4.754
  175    HG3  PRO  26           HG1      PRO  26  39.809  -4.240   6.141
  176    HD2  PRO  26           HD2      PRO  26  37.719  -2.513   4.863
  177    HD3  PRO  26           HD1      PRO  26  38.115  -2.711   6.579
  178    H    VAL  27           HN       VAL  27  39.102  -0.384   3.428
  179    HA   VAL  27           HA       VAL  27  40.682  -0.054   1.079
  180    HB   VAL  27           HB       VAL  27  38.353   1.524   2.195
  181   HG11  VAL  27          HG11      VAL  27  39.323   3.158   0.872
  182   HG12  VAL  27          HG12      VAL  27  38.386   2.298  -0.350
  183   HG13  VAL  27          HG13      VAL  27  40.115   1.988  -0.181
  184   HG21  VAL  27          HG21      VAL  27  38.512  -0.215  -0.274
  185   HG22  VAL  27          HG22      VAL  27  37.066   0.363   0.552
  186   HG23  VAL  27          HG23      VAL  27  38.080  -0.868   1.306
  187    H    LEU  28           HN       LEU  28  40.125   1.935   3.963
  188    HA   LEU  28           HA       LEU  28  41.759   4.110   3.185
  189    HB2  LEU  28           HB2      LEU  28  40.925   3.099   5.914
  190    HB3  LEU  28           HB1      LEU  28  41.817   4.598   5.671
  191    HG   LEU  28           HG       LEU  28  39.161   3.969   4.345
  192   HD11  LEU  28          HD11      LEU  28  38.690   4.152   6.681
  193   HD12  LEU  28          HD12      LEU  28  38.303   5.726   5.987
  194   HD13  LEU  28          HD13      LEU  28  39.811   5.499   6.873
  195   HD21  LEU  28          HD21      LEU  28  41.099   6.223   4.227
  196   HD22  LEU  28          HD22      LEU  28  39.402   6.676   4.360
  197   HD23  LEU  28          HD23      LEU  28  39.940   5.663   3.022
  198    H    GLN  29           HN       GLN  29  42.417   1.154   5.018
  199    HA   GLN  29           HA       GLN  29  45.099   1.750   5.702
  200    HB2  GLN  29           HB2      GLN  29  43.659  -0.885   5.331
  201    HB3  GLN  29           HB1      GLN  29  45.296  -0.745   5.970
  202    HG2  GLN  29           HG2      GLN  29  44.491   0.648   7.809
  203    HG3  GLN  29           HG1      GLN  29  42.856   0.605   7.153
  204   HE21  GLN  29          HE21      GLN  29  42.713  -0.349   9.580
  205   HE22  GLN  29          HE22      GLN  29  42.785  -2.043   9.667
  206    H    GLU  30           HN       GLU  30  43.660   0.122   2.884
  207    HA   GLU  30           HA       GLU  30  46.128  -0.651   1.691
  208    HB2  GLU  30           HB2      GLU  30  43.943  -1.646   1.058
  209    HB3  GLU  30           HB1      GLU  30  43.458  -0.107   0.352
  210    HG2  GLU  30           HG2      GLU  30  44.251  -1.506  -1.441
  211    HG3  GLU  30           HG1      GLU  30  45.482  -0.278  -1.173
  212    H    ILE  31           HN       ILE  31  44.095   2.266   1.381
  213    HA   ILE  31           HA       ILE  31  45.606   3.459  -0.705
  214    HB   ILE  31           HB       ILE  31  43.866   4.666   1.459
  215   HG12  ILE  31          HG12      ILE  31  43.342   4.332  -1.507
  216   HG13  ILE  31          HG11      ILE  31  42.866   3.121  -0.318
  217   HG21  ILE  31          HG21      ILE  31  45.575   5.876  -0.644
  218   HG22  ILE  31          HG22      ILE  31  44.998   6.566   0.873
  219   HG23  ILE  31          HG23      ILE  31  43.933   6.511  -0.532
  220   HD11  ILE  31          HD11      ILE  31  40.997   4.656  -0.777
  221   HD12  ILE  31          HD12      ILE  31  42.007   6.028  -0.322
  222   HD13  ILE  31          HD13      ILE  31  41.548   4.833   0.890
  223    H    TYR  32           HN       TYR  32  45.782   3.655   2.847
  224    HA   TYR  32           HA       TYR  32  47.838   5.574   2.998
  225    HB2  TYR  32           HB2      TYR  32  46.551   4.937   4.966
  226    HB3  TYR  32           HB1      TYR  32  47.170   3.289   4.872
  227    HD1  TYR  32           HD2      TYR  32  48.233   6.847   5.319
  228    HD2  TYR  32           HD1      TYR  32  49.225   2.704   5.855
  229    HE1  TYR  32           HE2      TYR  32  50.220   7.497   6.661
  230    HE2  TYR  32           HE1      TYR  32  51.208   3.350   7.194
  231    HH   TYR  32           HH       TYR  32  52.174   5.100   8.339
  232    H    LEU  33           HN       LEU  33  47.991   2.017   2.918
  233    HA   LEU  33           HA       LEU  33  50.801   1.827   3.094
  234    HB2  LEU  33           HB2      LEU  33  49.309  -0.093   3.487
  235    HB3  LEU  33           HB1      LEU  33  48.822  -0.068   1.794
  236    HG   LEU  33           HG       LEU  33  51.133  -0.555   1.101
  237   HD11  LEU  33          HD11      LEU  33  51.624  -0.191   4.037
  238   HD12  LEU  33          HD12      LEU  33  52.578   0.374   2.665
  239   HD13  LEU  33          HD13      LEU  33  52.636  -1.322   3.138
  240   HD21  LEU  33          HD21      LEU  33  49.604  -2.441   1.616
  241   HD22  LEU  33          HD22      LEU  33  50.168  -2.425   3.287
  242   HD23  LEU  33          HD23      LEU  33  51.281  -2.846   1.987
  243    H    SER  34           HN       SER  34  48.592   2.019   0.326
  244    HA   SER  34           HA       SER  34  50.524   1.689  -1.713
  245    HB2  SER  34           HB2      SER  34  47.913   3.220  -1.788
  246    HB3  SER  34           HB1      SER  34  48.832   2.680  -3.191
  247    HG   SER  34           HG       SER  34  46.994   1.341  -2.082
  248    H    GLY  35           HN       GLY  35  49.274   4.575  -0.043
  249    HA2  GLY  35           HA2      GLY  35  50.607   6.488  -1.635
  250    HA3  GLY  35           HA1      GLY  35  50.000   6.745  -0.005
  251    H    LEU  36           HN       LEU  36  51.604   4.732   1.289
  252    HA   LEU  36           HA       LEU  36  53.900   6.224   1.875
  253    HB2  LEU  36           HB2      LEU  36  52.904   4.615   3.435
  254    HB3  LEU  36           HB1      LEU  36  53.326   3.291   2.354
  255    HG   LEU  36           HG       LEU  36  55.716   3.794   2.638
  256   HD11  LEU  36          HD11      LEU  36  54.596   6.135   4.148
  257   HD12  LEU  36          HD12      LEU  36  55.940   6.084   3.008
  258   HD13  LEU  36          HD13      LEU  36  56.148   5.463   4.645
  259   HD21  LEU  36          HD21      LEU  36  55.823   3.330   5.148
  260   HD22  LEU  36          HD22      LEU  36  54.839   2.215   4.202
  261   HD23  LEU  36          HD23      LEU  36  54.066   3.482   5.155
  262    H    ARG  37           HN       ARG  37  53.452   3.376  -0.237
  263    HA   ARG  37           HA       ARG  37  56.205   3.027  -0.834
  264    HB2  ARG  37           HB2      ARG  37  53.695   2.258  -2.334
  265    HB3  ARG  37           HB1      ARG  37  55.312   1.821  -2.885
  266    HG2  ARG  37           HG2      ARG  37  55.741   0.661  -0.753
  267    HG3  ARG  37           HG1      ARG  37  54.137   1.112  -0.178
  268    HD2  ARG  37           HD2      ARG  37  54.627  -0.533  -2.674
  269    HD3  ARG  37           HD1      ARG  37  54.282  -1.228  -1.094
  270    HE   ARG  37           HE       ARG  37  52.268   0.644  -1.680
  271   HH11  ARG  37          HH21      ARG  37  53.524  -2.379  -2.809
  272   HH12  ARG  37          HH22      ARG  37  51.997  -2.951  -3.392
  273   HH21  ARG  37          HH11      ARG  37  50.259  -0.108  -2.471
  274   HH22  ARG  37          HH12      ARG  37  50.162  -1.676  -3.201
  275    H    SER  38           HN       SER  38  53.645   4.942  -2.374
  276    HA   SER  38           HA       SER  38  55.237   5.841  -4.577
  277    HB2  SER  38           HB2      SER  38  52.773   5.836  -4.639
  278    HB3  SER  38           HB1      SER  38  52.741   7.029  -3.343
  279    HG   SER  38           HG       SER  38  53.074   8.496  -4.798
  280    H    TRP  39           HN       TRP  39  54.417   7.085  -1.394
  281    HA   TRP  39           HA       TRP  39  55.468   9.659  -1.632
  282    HB2  TRP  39           HB2      TRP  39  54.015   9.179   0.182
  283    HB3  TRP  39           HB1      TRP  39  55.043   7.864   0.741
  284    HD1  TRP  39           HD1      TRP  39  56.483   8.479   2.726
  285    HE1  TRP  39           HE1      TRP  39  57.555  10.641   3.643
  286    HE3  TRP  39           HE3      TRP  39  54.991  11.805  -0.856
  287    HZ2  TRP  39           HZ2      TRP  39  57.751  13.409   2.947
  288    HZ3  TRP  39           HZ3      TRP  39  55.636  14.188  -0.701
  289    HH2  TRP  39           HH2      TRP  39  57.012  14.995   1.193
  290    H    LYS  40           HN       LYS  40  57.033   6.618  -0.762
  291    HA   LYS  40           HA       LYS  40  59.426   7.623   0.275
  292    HB2  LYS  40           HB2      LYS  40  58.694   5.241   0.376
  293    HB3  LYS  40           HB1      LYS  40  59.081   5.089  -1.337
  294    HG2  LYS  40           HG2      LYS  40  61.410   5.674  -0.902
  295    HG3  LYS  40           HG1      LYS  40  61.046   5.947   0.804
  296    HD2  LYS  40           HD2      LYS  40  60.356   3.581   1.027
  297    HD3  LYS  40           HD1      LYS  40  60.766   3.314  -0.670
  298    HE2  LYS  40           HE2      LYS  40  62.725   4.319   1.408
  299    HE3  LYS  40           HE1      LYS  40  62.592   2.633   0.905
  300    HZ1  LYS  40           HZ1      LYS  40  64.098   4.573  -0.301
  301    HZ2  LYS  40           HZ2      LYS  40  62.753   4.401  -1.324
  302    HZ3  LYS  40           HZ3      LYS  40  63.712   3.052  -0.947
  303    H    ARG  41           HN       ARG  41  58.399   7.302  -3.148
  304    HA   ARG  41           HA       ARG  41  61.015   7.534  -4.218
  305    HB2  ARG  41           HB2      ARG  41  58.996   7.010  -5.594
  306    HB3  ARG  41           HB1      ARG  41  58.441   8.668  -5.366
  307    HG2  ARG  41           HG2      ARG  41  60.530   9.496  -6.426
  308    HG3  ARG  41           HG1      ARG  41  61.036   7.828  -6.696
  309    HD2  ARG  41           HD2      ARG  41  58.457   9.002  -7.759
  310    HD3  ARG  41           HD1      ARG  41  59.946   8.898  -8.694
  311    HE   ARG  41           HE       ARG  41  59.364   6.344  -7.667
  312   HH11  ARG  41          HH21      ARG  41  58.143   8.702  -9.874
  313   HH12  ARG  41          HH22      ARG  41  57.405   7.541 -10.926
  314   HH21  ARG  41          HH11      ARG  41  58.400   4.807  -9.041
  315   HH22  ARG  41          HH12      ARG  41  57.546   5.337 -10.452
  316    H    HIS  42           HN       HIS  42  58.575   9.906  -3.281
  317    HA   HIS  42           HA       HIS  42  60.068  12.233  -3.869
  318    HB2  HIS  42           HB2      HIS  42  57.831  11.773  -1.887
  319    HB3  HIS  42           HB1      HIS  42  58.492  13.361  -2.278
  320    HD2  HIS  42           HD2      HIS  42  55.920  10.879  -3.704
  321    HE1  HIS  42           HE1      HIS  42  56.676  13.696  -6.758
  322    HE2  HIS  42           HE2      HIS  42  55.168  11.783  -6.037
  323    H    LEU  43           HN       LEU  43  60.404   9.938  -1.362
  324    HA   LEU  43           HA       LEU  43  61.743  11.713   0.506
  325    HB2  LEU  43           HB2      LEU  43  61.471   8.702   0.550
  326    HB3  LEU  43           HB1      LEU  43  62.185   9.679   1.826
  327    HG   LEU  43           HG       LEU  43  59.323   9.896   0.853
  328   HD11  LEU  43          HD11      LEU  43  60.512   8.017   2.571
  329   HD12  LEU  43          HD12      LEU  43  58.790   8.350   2.410
  330   HD13  LEU  43          HD13      LEU  43  59.738   9.185   3.639
  331   HD21  LEU  43          HD21      LEU  43  61.017  11.491   2.725
  332   HD22  LEU  43          HD22      LEU  43  59.345  11.194   3.198
  333   HD23  LEU  43          HD23      LEU  43  59.696  12.018   1.680
  334    H    SER  44           HN       SER  44  62.696  10.232  -2.340
  335    HA   SER  44           HA       SER  44  65.165   9.117  -1.733
  336    HB2  SER  44           HB2      SER  44  64.358   8.803  -3.918
  337    HB3  SER  44           HB1      SER  44  64.145  10.532  -4.182
  338    HG   SER  44           HG       SER  44  66.090  10.481  -4.955
  339    H    ARG  45           HN       ARG  45  64.513  12.585  -2.509
  340    HA   ARG  45           HA       ARG  45  67.218  13.340  -2.497
  341    HB2  ARG  45           HB2      ARG  45  64.708  14.891  -1.817
  342    HB3  ARG  45           HB1      ARG  45  66.307  15.632  -1.910
  343    HG2  ARG  45           HG2      ARG  45  66.555  14.884  -4.233
  344    HG3  ARG  45           HG1      ARG  45  64.989  14.079  -4.158
  345    HD2  ARG  45           HD2      ARG  45  63.887  16.242  -3.745
  346    HD3  ARG  45           HD1      ARG  45  65.447  17.058  -3.811
  347    HE   ARG  45           HE       ARG  45  64.927  15.512  -6.178
  348   HH11  ARG  45          HH21      ARG  45  64.278  18.476  -4.519
  349   HH12  ARG  45          HH22      ARG  45  63.967  19.381  -5.963
  350   HH21  ARG  45          HH11      ARG  45  64.525  16.699  -8.086
  351   HH22  ARG  45          HH12      ARG  45  64.118  18.380  -7.980
  352    H    PHE  46           HN       PHE  46  64.840  13.432   0.156
  353    HA   PHE  46           HA       PHE  46  66.662  14.332   2.141
  354    HB2  PHE  46           HB2      PHE  46  63.998  12.911   2.340
  355    HB3  PHE  46           HB1      PHE  46  64.891  13.507   3.739
  356    HD1  PHE  46           HD2      PHE  46  65.241  15.919   4.087
  357    HD2  PHE  46           HD1      PHE  46  62.943  14.433   0.775
  358    HE1  PHE  46           HE2      PHE  46  64.334  18.194   3.695
  359    HE2  PHE  46           HE1      PHE  46  62.035  16.706   0.387
  360    HZ   PHE  46           HZ       PHE  46  62.733  18.589   1.846
  361    H    TRP  47           HN       TRP  47  65.590  11.140   1.126
  362    HA   TRP  47           HA       TRP  47  66.774   9.647   3.199
  363    HB2  TRP  47           HB2      TRP  47  65.077   8.748   1.639
  364    HB3  TRP  47           HB1      TRP  47  66.273   8.793   0.342
  365    HD1  TRP  47           HD1      TRP  47  65.501   7.043   3.650
  366    HE1  TRP  47           HE1      TRP  47  66.848   4.847   3.754
  367    HE3  TRP  47           HE3      TRP  47  68.347   7.558  -0.553
  368    HZ2  TRP  47           HZ2      TRP  47  68.867   3.489   2.248
  369    HZ3  TRP  47           HZ3      TRP  47  69.972   5.802  -1.201
  370    HH2  TRP  47           HH2      TRP  47  70.236   3.769   0.194
  371    H    ASN  48           HN       ASN  48  68.039  10.721   0.069
  372    HA   ASN  48           HA       ASN  48  70.479   9.306   0.147
  373    HB2  ASN  48           HB2      ASN  48  69.592  11.846  -1.215
  374    HB3  ASN  48           HB1      ASN  48  71.243  11.250  -1.367
  375   HD21  ASN  48          HD21      ASN  48  69.467  11.410  -3.616
  376   HD22  ASN  48          HD22      ASN  48  69.146   9.828  -4.140
  377    H    ASP  49           HN       ASP  49  69.521  12.495   1.358
  378    HA   ASP  49           HA       ASP  49  72.187  12.934   2.493
  379    HB2  ASP  49           HB2      ASP  49  70.916  14.759   1.301
  380    HB3  ASP  49           HB1      ASP  49  69.765  14.733   2.637
  381    H    PHE  50           HN       PHE  50  72.566  11.990   4.388
  382    HA   PHE  50           HA       PHE  50  72.299  11.230   6.543
  383    HB2  PHE  50           HB2      PHE  50  72.065  13.618   7.013
  384    HB3  PHE  50           HB1      PHE  50  70.345  13.542   6.633
  385    HD1  PHE  50           HD2      PHE  50  72.942  12.095   8.906
  386    HD2  PHE  50           HD1      PHE  50  68.777  12.962   8.293
  387    HE1  PHE  50           HE2      PHE  50  72.455  11.412  11.240
  388    HE2  PHE  50           HE1      PHE  50  68.294  12.282  10.629
  389    HZ   PHE  50           HZ       PHE  50  70.132  11.508  12.101
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1  24.735  11.143  49.881
    2    H2   MET   1           HT2      MET   1  23.091  11.513  49.666
    3    H3   MET   1           HT3      MET   1  23.813  11.679  51.198
    4    HA   MET   1           HA       MET   1  23.707  13.853  50.438
    5    HB2  MET   1           HB2      MET   1  26.404  12.676  49.705
    6    HB3  MET   1           HB1      MET   1  26.091  14.412  49.775
    7    HG2  MET   1           HG2      MET   1  25.379  14.167  52.140
    8    HG3  MET   1           HG1      MET   1  25.752  12.448  52.060
    9    HE1  MET   1           HE1      MET   1  26.940  13.996  54.320
   10    HE2  MET   1           HE2      MET   1  28.620  13.467  54.280
   11    HE3  MET   1           HE3      MET   1  27.331  12.321  53.923
   12    H    ALA   2           HN       ALA   2  25.697  12.410  47.889
   13    HA   ALA   2           HA       ALA   2  24.703  14.132  45.870
   14    HB1  ALA   2           HB1      ALA   2  25.935  12.635  44.334
   15    HB2  ALA   2           HB2      ALA   2  26.165  11.489  45.657
   16    HB3  ALA   2           HB3      ALA   2  26.913  13.086  45.730
   17    H    GLU   3           HN       GLU   3  23.204  13.783  44.272
   18    HA   GLU   3           HA       GLU   3  21.008  12.105  44.890
   19    HB2  GLU   3           HB2      GLU   3  21.721  13.621  42.370
   20    HB3  GLU   3           HB1      GLU   3  20.190  12.781  42.614
   21    HG2  GLU   3           HG2      GLU   3  19.675  14.166  44.546
   22    HG3  GLU   3           HG1      GLU   3  21.249  14.951  44.447
   23    H    ALA   4           HN       ALA   4  23.760  11.765  42.685
   24    HA   ALA   4           HA       ALA   4  22.951   8.953  42.253
   25    HB1  ALA   4           HB1      ALA   4  22.409   9.923  40.178
   26    HB2  ALA   4           HB2      ALA   4  24.025   9.263  39.928
   27    HB3  ALA   4           HB3      ALA   4  23.810  10.989  40.210
   28    H    HIS   5           HN       HIS   5  24.636   7.457  42.115
   29    HA   HIS   5           HA       HIS   5  27.002   8.085  43.550
   30    HB2  HIS   5           HB2      HIS   5  26.185   5.727  41.860
   31    HB3  HIS   5           HB1      HIS   5  27.739   5.804  42.690
   32    HD2  HIS   5           HD2      HIS   5  27.616   5.359  45.455
   33    HE1  HIS   5           HE1      HIS   5  23.416   5.004  45.717
   34    HE2  HIS   5           HE2      HIS   5  25.598   4.741  46.994
   35    H    GLN   6           HN       GLN   6  26.313   7.685  40.107
   36    HA   GLN   6           HA       GLN   6  29.032   8.656  39.463
   37    HB2  GLN   6           HB2      GLN   6  27.077   6.987  37.873
   38    HB3  GLN   6           HB1      GLN   6  28.543   7.681  37.188
   39    HG2  GLN   6           HG2      GLN   6  29.898   6.480  38.855
   40    HG3  GLN   6           HG1      GLN   6  28.429   5.799  39.556
   41   HE21  GLN   6          HE21      GLN   6  30.906   5.067  37.439
   42   HE22  GLN   6          HE22      GLN   6  30.114   3.896  36.492
   43    H    ALA   7           HN       ALA   7  29.078  10.742  38.917
   44    HA   ALA   7           HA       ALA   7  26.645  12.069  37.975
   45    HB1  ALA   7           HB1      ALA   7  28.086  14.133  38.231
   46    HB2  ALA   7           HB2      ALA   7  29.341  13.075  38.882
   47    HB3  ALA   7           HB3      ALA   7  27.792  13.223  39.716
   48    H    VAL   8           HN       VAL   8  29.417  10.639  36.625
   49    HA   VAL   8           HA       VAL   8  29.948  12.395  34.467
   50    HB   VAL   8           HB       VAL   8  31.481  10.576  35.126
   51   HG11  VAL   8          HG11      VAL   8  29.589   8.920  35.536
   52   HG12  VAL   8          HG12      VAL   8  30.991   8.282  34.688
   53   HG13  VAL   8          HG13      VAL   8  29.531   8.691  33.794
   54   HG21  VAL   8          HG21      VAL   8  32.163  10.017  32.914
   55   HG22  VAL   8          HG22      VAL   8  31.358  11.578  32.770
   56   HG23  VAL   8          HG23      VAL   8  30.516  10.101  32.301
   57    H    GLY   9           HN       GLY   9  27.711   9.685  34.835
   58    HA2  GLY   9           HA2      GLY   9  25.720   9.304  33.709
   59    HA3  GLY   9           HA1      GLY   9  26.039  10.722  32.716
   60    H    PHE  10           HN       PHE  10  25.125   9.011  31.151
   61    HA   PHE  10           HA       PHE  10  27.302   7.311  30.106
   62    HB2  PHE  10           HB2      PHE  10  24.298   7.139  29.890
   63    HB3  PHE  10           HB1      PHE  10  25.382   6.173  28.887
   64    HD1  PHE  10           HD1      PHE  10  26.860   4.486  29.892
   65    HD2  PHE  10           HD2      PHE  10  24.085   6.739  32.269
   66    HE1  PHE  10           HE1      PHE  10  27.164   2.887  31.761
   67    HE2  PHE  10           HE2      PHE  10  24.387   5.142  34.139
   68    HZ   PHE  10           HZ       PHE  10  25.927   3.216  33.886
   69    H    ARG  11           HN       ARG  11  27.970   7.511  28.009
   70    HA   ARG  11           HA       ARG  11  26.571   9.398  26.258
   71    HB2  ARG  11           HB2      ARG  11  29.252   9.782  27.459
   72    HB3  ARG  11           HB1      ARG  11  29.130  10.129  25.739
   73    HG2  ARG  11           HG2      ARG  11  27.467  11.787  26.080
   74    HG3  ARG  11           HG1      ARG  11  27.130  11.224  27.716
   75    HD2  ARG  11           HD2      ARG  11  29.414  11.916  28.405
   76    HD3  ARG  11           HD1      ARG  11  29.698  12.535  26.778
   77    HE   ARG  11           HE       ARG  11  27.353  13.623  28.089
   78   HH11  ARG  11          HH21      ARG  11  30.759  13.846  27.531
   79   HH12  ARG  11          HH22      ARG  11  30.835  15.549  27.828
   80   HH21  ARG  11          HH11      ARG  11  27.452  15.855  28.501
   81   HH22  ARG  11          HH12      ARG  11  28.968  16.684  28.382
   82    HA   PRO  12           HA       PRO  12  27.601   6.434  23.166
   83    HB2  PRO  12           HB2      PRO  12  28.039   8.031  20.967
   84    HB3  PRO  12           HB1      PRO  12  26.430   7.642  21.604
   85    HG2  PRO  12           HG2      PRO  12  28.062  10.098  21.965
   86    HG3  PRO  12           HG1      PRO  12  26.317   9.927  21.736
   87    HD2  PRO  12           HD2      PRO  12  27.432  10.397  24.178
   88    HD3  PRO  12           HD1      PRO  12  25.926   9.472  23.976
   89    H    SER  13           HN       SER  13  29.755   8.967  23.977
   90    HA   SER  13           HA       SER  13  31.991   8.353  22.393
   91    HB2  SER  13           HB2      SER  13  31.903   9.506  25.189
   92    HB3  SER  13           HB1      SER  13  33.269   9.588  24.076
   93    HG   SER  13           HG       SER  13  32.323  11.315  23.352
   94    H    LEU  14           HN       LEU  14  30.877   7.030  25.491
   95    HA   LEU  14           HA       LEU  14  33.186   5.529  26.109
   96    HB2  LEU  14           HB2      LEU  14  31.415   5.967  27.750
   97    HB3  LEU  14           HB1      LEU  14  30.287   4.988  26.813
   98    HG   LEU  14           HG       LEU  14  31.691   2.994  27.176
   99   HD11  LEU  14          HD11      LEU  14  33.517   5.025  28.417
  100   HD12  LEU  14          HD12      LEU  14  33.911   3.660  27.373
  101   HD13  LEU  14          HD13      LEU  14  33.502   3.384  29.067
  102   HD21  LEU  14          HD21      LEU  14  31.030   4.540  29.698
  103   HD22  LEU  14          HD22      LEU  14  31.385   2.813  29.651
  104   HD23  LEU  14          HD23      LEU  14  29.960   3.445  28.824
  105    H    THR  15           HN       THR  15  30.257   4.678  24.256
  106    HA   THR  15           HA       THR  15  31.295   2.020  23.696
  107    HB   THR  15           HB       THR  15  29.256   1.720  22.392
  108    HG1  THR  15           HG1      THR  15  27.855   3.800  22.792
  109   HG21  THR  15          HG21      THR  15  28.274   1.277  24.362
  110   HG22  THR  15          HG22      THR  15  27.840   2.981  24.513
  111   HG23  THR  15          HG23      THR  15  29.369   2.395  25.176
  112    H    SER  16           HN       SER  16  31.378   1.253  21.395
  113    HA   SER  16           HA       SER  16  33.228   2.860  19.959
  114    HB2  SER  16           HB2      SER  16  33.235   0.397  19.798
  115    HB3  SER  16           HB1      SER  16  31.669   0.441  18.992
  116    HG   SER  16           HG       SER  16  34.026   1.750  18.083
  117    H    ASP  17           HN       ASP  17  32.987   4.216  18.270
  118    HA   ASP  17           HA       ASP  17  30.237   4.982  17.578
  119    HB2  ASP  17           HB2      ASP  17  31.918   6.720  18.341
  120    HB3  ASP  17           HB1      ASP  17  32.786   6.426  16.836
  121    H    GLY  18           HN       GLY  18  29.442   3.889  15.897
  122    HA2  GLY  18           HA2      GLY  18  31.129   2.808  13.824
  123    HA3  GLY  18           HA1      GLY  18  29.367   2.744  13.879
  124    H    ALA  19           HN       ALA  19  31.312   3.532  11.699
  125    HA   ALA  19           HA       ALA  19  29.809   5.852  10.813
  126    HB1  ALA  19           HB1      ALA  19  31.720   7.288  10.451
  127    HB2  ALA  19           HB2      ALA  19  32.822   6.046  11.043
  128    HB3  ALA  19           HB3      ALA  19  31.689   6.822  12.149
  129    H    GLU  20           HN       GLU  20  30.026   6.235   8.538
  130    HA   GLU  20           HA       GLU  20  30.456   3.890   6.990
  131    HB2  GLU  20           HB2      GLU  20  28.902   5.705   6.325
  132    HB3  GLU  20           HB1      GLU  20  30.285   6.764   6.058
  133    HG2  GLU  20           HG2      GLU  20  31.155   5.239   4.340
  134    HG3  GLU  20           HG1      GLU  20  29.822   4.125   4.639
  135    H    VAL  21           HN       VAL  21  32.379   6.802   7.592
  136    HA   VAL  21           HA       VAL  21  34.468   6.251   5.756
  137    HB   VAL  21           HB       VAL  21  34.147   8.472   6.802
  138   HG11  VAL  21          HG11      VAL  21  34.440   8.858   9.096
  139   HG12  VAL  21          HG12      VAL  21  35.356   7.365   9.326
  140   HG13  VAL  21          HG13      VAL  21  33.612   7.301   9.079
  141   HG21  VAL  21          HG21      VAL  21  36.781   7.984   7.910
  142   HG22  VAL  21          HG22      VAL  21  36.347   8.850   6.441
  143   HG23  VAL  21          HG23      VAL  21  36.586   7.103   6.392
  144    H    GLU  22           HN       GLU  22  33.906   5.363   9.123
  145    HA   GLU  22           HA       GLU  22  36.434   4.189   9.634
  146    HB2  GLU  22           HB2      GLU  22  34.822   4.876  11.395
  147    HB3  GLU  22           HB1      GLU  22  33.761   3.556  10.906
  148    HG2  GLU  22           HG2      GLU  22  35.480   1.913  11.458
  149    HG3  GLU  22           HG1      GLU  22  36.618   3.198  11.850
  150    H    LEU  23           HN       LEU  23  33.373   2.828   8.425
  151    HA   LEU  23           HA       LEU  23  34.196   0.120   8.455
  152    HB2  LEU  23           HB2      LEU  23  32.189   1.607   6.739
  153    HB3  LEU  23           HB1      LEU  23  32.409  -0.139   6.656
  154    HG   LEU  23           HG       LEU  23  31.786   1.359   9.225
  155   HD11  LEU  23          HD11      LEU  23  29.844   1.664   7.898
  156   HD12  LEU  23          HD12      LEU  23  29.490   0.253   8.890
  157   HD13  LEU  23          HD13      LEU  23  29.964   0.044   7.207
  158   HD21  LEU  23          HD21      LEU  23  32.363  -0.638  10.132
  159   HD22  LEU  23          HD22      LEU  23  32.437  -1.420   8.556
  160   HD23  LEU  23          HD23      LEU  23  30.895  -1.282   9.397
  161    H    SER  24           HN       SER  24  34.403   2.653   6.008
  162    HA   SER  24           HA       SER  24  35.481   1.162   3.901
  163    HB2  SER  24           HB2      SER  24  35.916   3.198   2.872
  164    HB3  SER  24           HB1      SER  24  34.656   3.641   4.018
  165    HG   SER  24           HG       SER  24  37.406   4.158   4.051
  166    H    ALA  25           HN       ALA  25  36.798   0.978   6.778
  167    HA   ALA  25           HA       ALA  25  39.369   1.872   6.790
  168    HB1  ALA  25           HB1      ALA  25  39.431  -0.781   7.818
  169    HB2  ALA  25           HB2      ALA  25  37.868  -0.077   8.218
  170    HB3  ALA  25           HB3      ALA  25  39.356   0.743   8.708
  171    HA   PRO  26           HA       PRO  26  40.807  -2.229   4.471
  172    HB2  PRO  26           HB2      PRO  26  38.458  -2.385   2.622
  173    HB3  PRO  26           HB1      PRO  26  39.419  -3.697   3.332
  174    HG2  PRO  26           HG2      PRO  26  37.005  -3.166   4.255
  175    HG3  PRO  26           HG1      PRO  26  38.324  -3.584   5.364
  176    HD2  PRO  26           HD2      PRO  26  37.129  -0.899   4.784
  177    HD3  PRO  26           HD1      PRO  26  37.707  -1.554   6.334
  178    H    VAL  27           HN       VAL  27  38.756   0.198   2.868
  179    HA   VAL  27           HA       VAL  27  40.341   0.481   0.505
  180    HB   VAL  27           HB       VAL  27  38.354   2.320   1.859
  181   HG11  VAL  27          HG11      VAL  27  39.692   3.795   0.599
  182   HG12  VAL  27          HG12      VAL  27  38.392   3.372  -0.516
  183   HG13  VAL  27          HG13      VAL  27  39.971   2.606  -0.665
  184   HG21  VAL  27          HG21      VAL  27  37.987   0.968  -0.785
  185   HG22  VAL  27          HG22      VAL  27  36.781   1.387   0.434
  186   HG23  VAL  27          HG23      VAL  27  37.834  -0.006   0.677
  187    H    LEU  28           HN       LEU  28  40.157   2.153   3.577
  188    HA   LEU  28           HA       LEU  28  42.039   4.190   3.102
  189    HB2  LEU  28           HB2      LEU  28  41.150   2.809   5.628
  190    HB3  LEU  28           HB1      LEU  28  42.201   4.219   5.622
  191    HG   LEU  28           HG       LEU  28  39.469   4.127   4.316
  192   HD11  LEU  28          HD11      LEU  28  40.301   4.601   7.101
  193   HD12  LEU  28          HD12      LEU  28  38.706   4.203   6.450
  194   HD13  LEU  28          HD13      LEU  28  39.276   5.873   6.428
  195   HD21  LEU  28          HD21      LEU  28  40.406   5.941   3.289
  196   HD22  LEU  28          HD22      LEU  28  41.633   6.152   4.534
  197   HD23  LEU  28          HD23      LEU  28  39.991   6.736   4.805
  198    H    GLN  29           HN       GLN  29  42.378   0.915   4.432
  199    HA   GLN  29           HA       GLN  29  45.113   1.153   5.110
  200    HB2  GLN  29           HB2      GLN  29  43.423  -1.268   4.478
  201    HB3  GLN  29           HB1      GLN  29  45.094  -1.366   5.038
  202    HG2  GLN  29           HG2      GLN  29  44.504  -0.123   7.076
  203    HG3  GLN  29           HG1      GLN  29  42.836   0.014   6.519
  204   HE21  GLN  29          HE21      GLN  29  44.840  -1.845   8.474
  205   HE22  GLN  29          HE22      GLN  29  43.921  -3.270   8.506
  206    H    GLU  30           HN       GLU  30  43.527  -0.014   2.137
  207    HA   GLU  30           HA       GLU  30  45.912  -0.843   0.842
  208    HB2  GLU  30           HB2      GLU  30  43.195  -0.065  -0.217
  209    HB3  GLU  30           HB1      GLU  30  44.480  -0.729  -1.226
  210    HG2  GLU  30           HG2      GLU  30  44.558  -2.751   0.143
  211    HG3  GLU  30           HG1      GLU  30  43.349  -2.080   1.242
  212    H    ILE  31           HN       ILE  31  44.087   2.266   0.659
  213    HA   ILE  31           HA       ILE  31  45.867   3.357  -1.291
  214    HB   ILE  31           HB       ILE  31  43.548   4.232  -0.863
  215   HG12  ILE  31          HG12      ILE  31  45.693   6.344  -0.533
  216   HG13  ILE  31          HG11      ILE  31  45.397   5.503  -2.055
  217   HG21  ILE  31          HG21      ILE  31  44.851   5.580   1.518
  218   HG22  ILE  31          HG22      ILE  31  43.757   4.207   1.629
  219   HG23  ILE  31          HG23      ILE  31  43.173   5.741   0.992
  220   HD11  ILE  31          HD11      ILE  31  43.410   7.195  -0.512
  221   HD12  ILE  31          HD12      ILE  31  43.009   6.247  -1.942
  222   HD13  ILE  31          HD13      ILE  31  44.149   7.587  -2.071
  223    H    TYR  32           HN       TYR  32  45.746   3.530   2.272
  224    HA   TYR  32           HA       TYR  32  47.850   5.383   2.575
  225    HB2  TYR  32           HB2      TYR  32  46.407   4.820   4.454
  226    HB3  TYR  32           HB1      TYR  32  46.954   3.154   4.420
  227    HD1  TYR  32           HD2      TYR  32  48.260   6.642   4.684
  228    HD2  TYR  32           HD1      TYR  32  48.794   2.521   5.745
  229    HE1  TYR  32           HE2      TYR  32  50.177   7.261   6.128
  230    HE2  TYR  32           HE1      TYR  32  50.717   3.132   7.182
  231    HH   TYR  32           HH       TYR  32  52.385   5.788   6.987
  232    H    LEU  33           HN       LEU  33  47.883   1.817   2.406
  233    HA   LEU  33           HA       LEU  33  50.687   1.550   2.746
  234    HB2  LEU  33           HB2      LEU  33  48.523  -0.225   1.693
  235    HB3  LEU  33           HB1      LEU  33  50.191  -0.655   1.339
  236    HG   LEU  33           HG       LEU  33  49.057  -1.632   3.484
  237   HD11  LEU  33          HD11      LEU  33  51.225  -1.593   4.668
  238   HD12  LEU  33          HD12      LEU  33  51.776  -0.296   3.612
  239   HD13  LEU  33          HD13      LEU  33  51.432  -1.889   2.944
  240   HD21  LEU  33          HD21      LEU  33  48.852  -0.324   5.371
  241   HD22  LEU  33          HD22      LEU  33  48.479   0.882   4.150
  242   HD23  LEU  33          HD23      LEU  33  50.094   0.815   4.852
  243    H    SER  34           HN       SER  34  48.655   1.939  -0.126
  244    HA   SER  34           HA       SER  34  50.660   1.593  -2.089
  245    HB2  SER  34           HB2      SER  34  48.141   3.267  -2.168
  246    HB3  SER  34           HB1      SER  34  49.099   2.795  -3.571
  247    HG   SER  34           HG       SER  34  47.605   1.230  -3.425
  248    H    GLY  35           HN       GLY  35  49.474   4.468  -0.362
  249    HA2  GLY  35           HA2      GLY  35  51.029   6.349  -1.780
  250    HA3  GLY  35           HA1      GLY  35  50.325   6.583  -0.187
  251    H    LEU  36           HN       LEU  36  51.717   4.417   1.129
  252    HA   LEU  36           HA       LEU  36  54.069   5.761   1.887
  253    HB2  LEU  36           HB2      LEU  36  52.898   4.164   3.347
  254    HB3  LEU  36           HB1      LEU  36  53.302   2.851   2.248
  255    HG   LEU  36           HG       LEU  36  55.690   3.200   2.673
  256   HD11  LEU  36          HD11      LEU  36  56.050   5.452   3.111
  257   HD12  LEU  36          HD12      LEU  36  56.089   4.806   4.752
  258   HD13  LEU  36          HD13      LEU  36  54.626   5.583   4.145
  259   HD21  LEU  36          HD21      LEU  36  54.236   1.765   4.184
  260   HD22  LEU  36          HD22      LEU  36  54.177   3.131   5.299
  261   HD23  LEU  36          HD23      LEU  36  55.720   2.358   4.939
  262    H    ARG  37           HN       ARG  37  53.496   3.050  -0.321
  263    HA   ARG  37           HA       ARG  37  56.217   2.487  -0.857
  264    HB2  ARG  37           HB2      ARG  37  54.352   0.973  -1.449
  265    HB3  ARG  37           HB1      ARG  37  53.831   2.123  -2.682
  266    HG2  ARG  37           HG2      ARG  37  56.032   1.907  -3.797
  267    HG3  ARG  37           HG1      ARG  37  56.525   0.735  -2.578
  268    HD2  ARG  37           HD2      ARG  37  54.553  -0.663  -3.217
  269    HD3  ARG  37           HD1      ARG  37  54.242   0.465  -4.536
  270    HE   ARG  37           HE       ARG  37  56.939  -0.546  -4.532
  271   HH11  ARG  37          HH21      ARG  37  53.653  -1.126  -5.430
  272   HH12  ARG  37          HH22      ARG  37  54.057  -2.166  -6.755
  273   HH21  ARG  37          HH11      ARG  37  57.471  -1.921  -6.260
  274   HH22  ARG  37          HH12      ARG  37  56.215  -2.609  -7.224
  275    H    SER  38           HN       SER  38  53.871   4.664  -2.391
  276    HA   SER  38           HA       SER  38  55.608   5.602  -4.472
  277    HB2  SER  38           HB2      SER  38  53.149   6.907  -3.293
  278    HB3  SER  38           HB1      SER  38  53.894   7.288  -4.847
  279    HG   SER  38           HG       SER  38  52.388   5.073  -4.051
  280    H    TRP  39           HN       TRP  39  54.843   6.574  -1.203
  281    HA   TRP  39           HA       TRP  39  55.873   9.161  -1.186
  282    HB2  TRP  39           HB2      TRP  39  54.532   8.173   0.635
  283    HB3  TRP  39           HB1      TRP  39  55.910   7.153   1.064
  284    HD1  TRP  39           HD1      TRP  39  57.533   8.136   2.759
  285    HE1  TRP  39           HE1      TRP  39  58.042  10.494   3.670
  286    HE3  TRP  39           HE3      TRP  39  54.483  10.935  -0.245
  287    HZ2  TRP  39           HZ2      TRP  39  57.267  13.201   3.195
  288    HZ3  TRP  39           HZ3      TRP  39  54.394  13.401   0.009
  289    HH2  TRP  39           HH2      TRP  39  55.781  14.537   1.723
  290    H    LYS  40           HN       LYS  40  57.531   6.033  -0.758
  291    HA   LYS  40           HA       LYS  40  59.979   7.023   0.159
  292    HB2  LYS  40           HB2      LYS  40  59.374   4.615   0.102
  293    HB3  LYS  40           HB1      LYS  40  59.560   4.634  -1.650
  294    HG2  LYS  40           HG2      LYS  40  61.912   5.319  -1.412
  295    HG3  LYS  40           HG1      LYS  40  61.724   5.363   0.339
  296    HD2  LYS  40           HD2      LYS  40  61.231   2.957   0.371
  297    HD3  LYS  40           HD1      LYS  40  61.372   2.887  -1.383
  298    HE2  LYS  40           HE2      LYS  40  63.457   2.130  -0.341
  299    HE3  LYS  40           HE1      LYS  40  63.736   3.648  -1.193
  300    HZ1  LYS  40           HZ1      LYS  40  64.179   3.085   1.492
  301    HZ2  LYS  40           HZ2      LYS  40  62.890   4.187   1.432
  302    HZ3  LYS  40           HZ3      LYS  40  64.375   4.569   0.697
  303    H    ARG  41           HN       ARG  41  58.827   6.648  -3.248
  304    HA   ARG  41           HA       ARG  41  61.302   7.376  -4.411
  305    HB2  ARG  41           HB2      ARG  41  58.457   7.597  -5.415
  306    HB3  ARG  41           HB1      ARG  41  59.862   7.995  -6.404
  307    HG2  ARG  41           HG2      ARG  41  60.745   5.708  -6.089
  308    HG3  ARG  41           HG1      ARG  41  59.363   5.315  -5.070
  309    HD2  ARG  41           HD2      ARG  41  59.104   6.241  -7.936
  310    HD3  ARG  41           HD1      ARG  41  59.156   4.547  -7.468
  311    HE   ARG  41           HE       ARG  41  57.165   5.842  -5.945
  312   HH11  ARG  41          HH21      ARG  41  57.952   4.856  -9.142
  313   HH12  ARG  41          HH22      ARG  41  56.309   4.728  -9.675
  314   HH21  ARG  41          HH11      ARG  41  54.989   5.678  -6.598
  315   HH22  ARG  41          HH12      ARG  41  54.616   5.187  -8.212
  316    H    HIS  42           HN       HIS  42  58.552   9.184  -3.346
  317    HA   HIS  42           HA       HIS  42  59.469  11.794  -4.209
  318    HB2  HIS  42           HB2      HIS  42  57.252  10.912  -2.363
  319    HB3  HIS  42           HB1      HIS  42  57.578  12.600  -2.749
  320    HD2  HIS  42           HD2      HIS  42  56.716  13.413  -5.295
  321    HE1  HIS  42           HE1      HIS  42  55.332   9.639  -6.583
  322    HE2  HIS  42           HE2      HIS  42  55.446  12.107  -7.167
  323    H    LEU  43           HN       LEU  43  59.652   9.866  -1.327
  324    HA   LEU  43           HA       LEU  43  60.688  11.964   0.381
  325    HB2  LEU  43           HB2      LEU  43  59.254   9.944   1.126
  326    HB3  LEU  43           HB1      LEU  43  60.736   9.013   0.991
  327    HG   LEU  43           HG       LEU  43  61.829  10.665   2.574
  328   HD11  LEU  43          HD11      LEU  43  59.240  11.949   2.232
  329   HD12  LEU  43          HD12      LEU  43  60.716  12.586   2.937
  330   HD13  LEU  43          HD13      LEU  43  59.605  11.650   3.924
  331   HD21  LEU  43          HD21      LEU  43  59.781   8.663   3.178
  332   HD22  LEU  43          HD22      LEU  43  59.940   9.869   4.458
  333   HD23  LEU  43          HD23      LEU  43  61.346   8.928   3.948
  334    H    SER  44           HN       SER  44  62.049  10.097  -2.066
  335    HA   SER  44           HA       SER  44  64.423   9.144  -1.036
  336    HB2  SER  44           HB2      SER  44  64.049  10.395  -3.755
  337    HB3  SER  44           HB1      SER  44  65.354   9.312  -3.281
  338    HG   SER  44           HG       SER  44  62.740   8.771  -3.914
  339    H    ARG  45           HN       ARG  45  63.893  12.541  -2.204
  340    HA   ARG  45           HA       ARG  45  66.596  13.271  -1.940
  341    HB2  ARG  45           HB2      ARG  45  64.065  14.909  -1.679
  342    HB3  ARG  45           HB1      ARG  45  65.682  15.614  -1.657
  343    HG2  ARG  45           HG2      ARG  45  66.152  14.659  -3.872
  344    HG3  ARG  45           HG1      ARG  45  64.555  13.910  -3.899
  345    HD2  ARG  45           HD2      ARG  45  65.008  16.891  -3.631
  346    HD3  ARG  45           HD1      ARG  45  64.703  16.084  -5.165
  347    HE   ARG  45           HE       ARG  45  62.644  15.346  -3.421
  348   HH11  ARG  45          HH21      ARG  45  63.965  18.171  -4.921
  349   HH12  ARG  45          HH22      ARG  45  62.446  19.000  -5.021
  350   HH21  ARG  45          HH11      ARG  45  60.646  16.439  -3.542
  351   HH22  ARG  45          HH12      ARG  45  60.582  18.038  -4.207
  352    H    PHE  46           HN       PHE  46  63.930  13.671   0.416
  353    HA   PHE  46           HA       PHE  46  65.552  14.722   2.489
  354    HB2  PHE  46           HB2      PHE  46  62.880  13.329   2.548
  355    HB3  PHE  46           HB1      PHE  46  63.631  14.038   3.977
  356    HD1  PHE  46           HD2      PHE  46  64.104  16.524   4.037
  357    HD2  PHE  46           HD1      PHE  46  61.847  14.681   0.878
  358    HE1  PHE  46           HE2      PHE  46  63.212  18.744   3.374
  359    HE2  PHE  46           HE1      PHE  46  60.957  16.900   0.218
  360    HZ   PHE  46           HZ       PHE  46  61.636  18.928   1.469
  361    H    TRP  47           HN       TRP  47  64.531  11.451   1.679
  362    HA   TRP  47           HA       TRP  47  65.504  10.134   3.971
  363    HB2  TRP  47           HB2      TRP  47  63.948   9.082   2.376
  364    HB3  TRP  47           HB1      TRP  47  65.229   9.050   1.164
  365    HD1  TRP  47           HD1      TRP  47  64.296   7.551   4.565
  366    HE1  TRP  47           HE1      TRP  47  65.669   5.397   4.925
  367    HE3  TRP  47           HE3      TRP  47  67.333   7.739   0.458
  368    HZ2  TRP  47           HZ2      TRP  47  67.783   3.940   3.632
  369    HZ3  TRP  47           HZ3      TRP  47  69.013   5.961   0.048
  370    HH2  TRP  47           HH2      TRP  47  69.240   4.065   1.627
  371    H    ASN  48           HN       ASN  48  67.055  10.889   0.870
  372    HA   ASN  48           HA       ASN  48  69.444   9.457   1.345
  373    HB2  ASN  48           HB2      ASN  48  68.732  11.775  -0.429
  374    HB3  ASN  48           HB1      ASN  48  70.395  11.203  -0.317
  375   HD21  ASN  48          HD21      ASN  48  69.456   8.311   0.034
  376   HD22  ASN  48          HD22      ASN  48  68.946   7.848  -1.513
  377    H    ASP  49           HN       ASP  49  68.476  12.792   2.076
  378    HA   ASP  49           HA       ASP  49  71.050  13.261   3.419
  379    HB2  ASP  49           HB2      ASP  49  69.942  14.977   1.869
  380    HB3  ASP  49           HB1      ASP  49  68.767  15.211   3.159
  381    H    PHE  50           HN       PHE  50  71.167  12.599   5.471
  382    HA   PHE  50           HA       PHE  50  68.748  12.428   7.105
  383    HB2  PHE  50           HB2      PHE  50  70.284  10.532   7.111
  384    HB3  PHE  50           HB1      PHE  50  71.601  11.576   7.638
  385    HD1  PHE  50           HD1      PHE  50  68.157  10.489   8.593
  386    HD2  PHE  50           HD2      PHE  50  71.974  11.912   9.944
  387    HE1  PHE  50           HE1      PHE  50  67.444  10.160  10.944
  388    HE2  PHE  50           HE2      PHE  50  71.262  11.585  12.300
  389    HZ   PHE  50           HZ       PHE  50  68.995  10.708  12.800
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1   4.145   7.081 -30.924
    2    H2   MET   1           HT2      MET   1   4.738   5.668 -31.659
    3    H3   MET   1           HT3      MET   1   5.119   7.190 -32.308
    4    HA   MET   1           HA       MET   1   6.010   6.110 -29.696
    5    HB2  MET   1           HB2      MET   1   7.454   6.742 -32.288
    6    HB3  MET   1           HB1      MET   1   8.268   6.379 -30.768
    7    HG2  MET   1           HG2      MET   1   7.133   4.174 -30.693
    8    HG3  MET   1           HG1      MET   1   6.357   4.528 -32.235
    9    HE1  MET   1           HE1      MET   1   8.812   5.932 -34.065
   10    HE2  MET   1           HE2      MET   1   7.346   4.981 -34.282
   11    HE3  MET   1           HE3      MET   1   8.883   4.365 -34.881
   12    H    ALA   2           HN       ALA   2   5.000   8.804 -31.440
   13    HA   ALA   2           HA       ALA   2   6.807  10.784 -30.524
   14    HB1  ALA   2           HB1      ALA   2   4.563  10.712 -32.180
   15    HB2  ALA   2           HB2      ALA   2   5.529  12.133 -31.788
   16    HB3  ALA   2           HB3      ALA   2   4.090  11.758 -30.841
   17    H    GLU   3           HN       GLU   3   6.785  12.105 -28.748
   18    HA   GLU   3           HA       GLU   3   6.516  12.541 -26.494
   19    HB2  GLU   3           HB2      GLU   3   3.654  12.433 -27.475
   20    HB3  GLU   3           HB1      GLU   3   4.129  13.058 -25.898
   21    HG2  GLU   3           HG2      GLU   3   5.514  14.778 -26.953
   22    HG3  GLU   3           HG1      GLU   3   5.162  14.115 -28.550
   23    H    ALA   4           HN       ALA   4   6.809   9.738 -27.174
   24    HA   ALA   4           HA       ALA   4   5.733   8.615 -24.712
   25    HB1  ALA   4           HB1      ALA   4   4.632   6.738 -25.739
   26    HB2  ALA   4           HB2      ALA   4   5.156   7.242 -27.345
   27    HB3  ALA   4           HB3      ALA   4   3.969   8.204 -26.462
   28    H    HIS   5           HN       HIS   5   6.757   6.679 -24.059
   29    HA   HIS   5           HA       HIS   5   9.329   6.172 -25.439
   30    HB2  HIS   5           HB2      HIS   5   8.585   5.889 -22.523
   31    HB3  HIS   5           HB1      HIS   5  10.128   5.389 -23.215
   32    HD2  HIS   5           HD2      HIS   5  11.831   7.557 -24.006
   33    HE1  HIS   5           HE1      HIS   5   9.408  10.576 -22.324
   34    HE2  HIS   5           HE2      HIS   5  11.657  10.092 -23.396
   35    H    GLN   6           HN       GLN   6   9.837   4.115 -26.035
   36    HA   GLN   6           HA       GLN   6   7.779   2.169 -26.217
   37    HB2  GLN   6           HB2      GLN   6  10.771   1.981 -26.615
   38    HB3  GLN   6           HB1      GLN   6   9.653   0.659 -26.961
   39    HG2  GLN   6           HG2      GLN   6   8.434   2.064 -28.552
   40    HG3  GLN   6           HG1      GLN   6   9.481   3.431 -28.174
   41   HE21  GLN   6          HE21      GLN   6  10.692   3.693 -30.062
   42   HE22  GLN   6          HE22      GLN   6  11.602   2.461 -30.795
   43    H    ALA   7           HN       ALA   7  10.550   2.558 -24.045
   44    HA   ALA   7           HA       ALA   7   9.272   0.672 -22.187
   45    HB1  ALA   7           HB1      ALA   7  10.798  -0.913 -22.592
   46    HB2  ALA   7           HB2      ALA   7  12.044   0.187 -21.998
   47    HB3  ALA   7           HB3      ALA   7  11.652   0.141 -23.717
   48    H    VAL   8           HN       VAL   8   9.713   1.045 -20.025
   49    HA   VAL   8           HA       VAL   8  10.298   3.703 -19.272
   50    HB   VAL   8           HB       VAL   8  10.179   1.137 -17.684
   51   HG11  VAL   8          HG11      VAL   8   9.887   2.809 -15.744
   52   HG12  VAL   8          HG12      VAL   8  10.606   4.004 -16.823
   53   HG13  VAL   8          HG13      VAL   8  11.526   2.574 -16.347
   54   HG21  VAL   8          HG21      VAL   8   8.152   2.252 -18.899
   55   HG22  VAL   8          HG22      VAL   8   8.261   3.453 -17.613
   56   HG23  VAL   8          HG23      VAL   8   7.967   1.759 -17.216
   57    H    GLY   9           HN       GLY   9  12.219   0.725 -19.086
   58    HA2  GLY   9           HA2      GLY   9  14.569   0.672 -19.484
   59    HA3  GLY   9           HA1      GLY   9  14.661   2.359 -18.990
   60    H    PHE  10           HN       PHE  10  16.410   0.479 -17.940
   61    HA   PHE  10           HA       PHE  10  15.613  -0.702 -15.503
   62    HB2  PHE  10           HB2      PHE  10  18.300   0.273 -16.487
   63    HB3  PHE  10           HB1      PHE  10  18.084  -0.620 -14.981
   64    HD1  PHE  10           HD1      PHE  10  17.222  -2.957 -15.014
   65    HD2  PHE  10           HD2      PHE  10  18.109  -0.814 -18.637
   66    HE1  PHE  10           HE1      PHE  10  17.160  -5.087 -16.288
   67    HE2  PHE  10           HE2      PHE  10  18.055  -2.942 -19.909
   68    HZ   PHE  10           HZ       PHE  10  17.572  -5.078 -18.735
   69    H    ARG  11           HN       ARG  11  17.034   2.484 -16.211
   70    HA   ARG  11           HA       ARG  11  17.346   4.338 -14.879
   71    HB2  ARG  11           HB2      ARG  11  14.868   4.289 -15.272
   72    HB3  ARG  11           HB1      ARG  11  14.691   3.472 -13.719
   73    HG2  ARG  11           HG2      ARG  11  15.764   5.369 -12.581
   74    HG3  ARG  11           HG1      ARG  11  15.993   6.179 -14.132
   75    HD2  ARG  11           HD2      ARG  11  13.219   5.330 -13.598
   76    HD3  ARG  11           HD1      ARG  11  13.834   6.561 -12.497
   77    HE   ARG  11           HE       ARG  11  14.555   7.438 -15.010
   78   HH11  ARG  11          HH21      ARG  11  11.630   6.555 -13.387
   79   HH12  ARG  11          HH22      ARG  11  10.630   7.610 -14.328
   80   HH21  ARG  11          HH11      ARG  11  13.237   8.817 -16.258
   81   HH22  ARG  11          HH12      ARG  11  11.538   8.900 -15.935
   82    HA   PRO  12           HA       PRO  12  18.779   1.712 -11.297
   83    HB2  PRO  12           HB2      PRO  12  21.277   3.202 -11.734
   84    HB3  PRO  12           HB1      PRO  12  21.014   1.454 -11.620
   85    HG2  PRO  12           HG2      PRO  12  21.611   2.707 -13.935
   86    HG3  PRO  12           HG1      PRO  12  20.646   1.226 -13.851
   87    HD2  PRO  12           HD2      PRO  12  19.751   4.032 -14.345
   88    HD3  PRO  12           HD1      PRO  12  19.069   2.507 -14.950
   89    H    SER  13           HN       SER  13  18.975   2.393  -9.177
   90    HA   SER  13           HA       SER  13  19.114   5.302  -8.661
   91    HB2  SER  13           HB2      SER  13  17.192   3.303  -7.453
   92    HB3  SER  13           HB1      SER  13  17.411   4.948  -6.864
   93    HG   SER  13           HG       SER  13  17.040   5.400  -9.292
   94    H    LEU  14           HN       LEU  14  19.977   5.903  -6.609
   95    HA   LEU  14           HA       LEU  14  21.645   3.806  -5.360
   96    HB2  LEU  14           HB2      LEU  14  22.003   6.811  -5.442
   97    HB3  LEU  14           HB1      LEU  14  23.087   5.687  -4.625
   98    HG   LEU  14           HG       LEU  14  22.439   5.623  -7.590
   99   HD11  LEU  14          HD11      LEU  14  23.750   7.601  -7.094
  100   HD12  LEU  14          HD12      LEU  14  24.804   6.404  -7.843
  101   HD13  LEU  14          HD13      LEU  14  24.866   6.663  -6.100
  102   HD21  LEU  14          HD21      LEU  14  23.204   3.493  -7.328
  103   HD22  LEU  14          HD22      LEU  14  23.929   3.837  -5.759
  104   HD23  LEU  14          HD23      LEU  14  24.786   4.264  -7.237
  105    H    THR  15           HN       THR  15  21.321   3.314  -3.255
  106    HA   THR  15           HA       THR  15  19.071   4.363  -1.857
  107    HB   THR  15           HB       THR  15  19.919   2.944   0.012
  108    HG1  THR  15           HG1      THR  15  21.818   1.781  -1.558
  109   HG21  THR  15          HG21      THR  15  18.467   1.862  -1.482
  110   HG22  THR  15          HG22      THR  15  19.886   0.811  -1.491
  111   HG23  THR  15          HG23      THR  15  19.623   1.953  -2.808
  112    H    SER  16           HN       SER  16  18.920   5.862  -0.282
  113    HA   SER  16           HA       SER  16  20.962   7.815  -0.033
  114    HB2  SER  16           HB2      SER  16  19.504   8.804   1.699
  115    HB3  SER  16           HB1      SER  16  18.609   8.382   0.241
  116    HG   SER  16           HG       SER  16  17.978   6.455   1.279
  117    H    ASP  17           HN       ASP  17  19.993   5.079   1.992
  118    HA   ASP  17           HA       ASP  17  22.036   5.794   3.976
  119    HB2  ASP  17           HB2      ASP  17  19.731   5.073   4.669
  120    HB3  ASP  17           HB1      ASP  17  20.110   3.471   4.033
  121    H    GLY  18           HN       GLY  18  24.050   5.169   3.443
  122    HA2  GLY  18           HA2      GLY  18  24.417   2.394   2.484
  123    HA3  GLY  18           HA1      GLY  18  25.348   3.734   1.826
  124    H    ALA  19           HN       ALA  19  25.975   1.216   3.438
  125    HA   ALA  19           HA       ALA  19  27.108   2.198   5.905
  126    HB1  ALA  19           HB1      ALA  19  27.291  -0.453   4.464
  127    HB2  ALA  19           HB2      ALA  19  26.297  -0.068   5.869
  128    HB3  ALA  19           HB3      ALA  19  28.053  -0.132   6.022
  129    H    GLU  20           HN       GLU  20  28.065   2.252   2.668
  130    HA   GLU  20           HA       GLU  20  30.845   1.788   2.844
  131    HB2  GLU  20           HB2      GLU  20  29.207   3.466   0.938
  132    HB3  GLU  20           HB1      GLU  20  30.937   3.180   0.741
  133    HG2  GLU  20           HG2      GLU  20  30.562   0.762   0.632
  134    HG3  GLU  20           HG1      GLU  20  28.840   0.995   0.938
  135    H    VAL  21           HN       VAL  21  28.925   4.736   3.267
  136    HA   VAL  21           HA       VAL  21  31.137   6.499   3.487
  137    HB   VAL  21           HB       VAL  21  29.521   8.129   4.276
  138   HG11  VAL  21          HG11      VAL  21  27.750   6.624   2.442
  139   HG12  VAL  21          HG12      VAL  21  29.401   6.829   1.862
  140   HG13  VAL  21          HG13      VAL  21  28.428   8.244   2.263
  141   HG21  VAL  21          HG21      VAL  21  27.993   5.649   4.949
  142   HG22  VAL  21          HG22      VAL  21  27.075   7.080   4.482
  143   HG23  VAL  21          HG23      VAL  21  28.160   7.139   5.873
  144    H    GLU  22           HN       GLU  22  29.240   4.711   5.891
  145    HA   GLU  22           HA       GLU  22  30.435   5.915   8.171
  146    HB2  GLU  22           HB2      GLU  22  28.942   3.320   7.827
  147    HB3  GLU  22           HB1      GLU  22  29.466   3.952   9.387
  148    HG2  GLU  22           HG2      GLU  22  28.171   5.990   9.033
  149    HG3  GLU  22           HG1      GLU  22  27.689   5.433   7.431
  150    H    LEU  23           HN       LEU  23  31.248   2.983   6.333
  151    HA   LEU  23           HA       LEU  23  33.678   2.706   8.003
  152    HB2  LEU  23           HB2      LEU  23  32.002   0.509   6.764
  153    HB3  LEU  23           HB1      LEU  23  33.521   0.262   7.625
  154    HG   LEU  23           HG       LEU  23  31.038   1.545   8.804
  155   HD11  LEU  23          HD11      LEU  23  31.588  -1.175   8.340
  156   HD12  LEU  23          HD12      LEU  23  30.328  -0.500   9.372
  157   HD13  LEU  23          HD13      LEU  23  31.901  -0.910  10.054
  158   HD21  LEU  23          HD21      LEU  23  32.512   0.863  10.931
  159   HD22  LEU  23          HD22      LEU  23  32.711   2.419  10.128
  160   HD23  LEU  23          HD23      LEU  23  33.828   1.099   9.781
  161    H    SER  24           HN       SER  24  35.411   1.405   6.826
  162    HA   SER  24           HA       SER  24  35.593   0.960   4.139
  163    HB2  SER  24           HB2      SER  24  35.203   2.990   3.196
  164    HB3  SER  24           HB1      SER  24  35.478   3.854   4.701
  165    HG   SER  24           HG       SER  24  37.090   3.618   2.621
  166    H    ALA  25           HN       ALA  25  36.834   0.722   6.955
  167    HA   ALA  25           HA       ALA  25  39.460   1.514   7.032
  168    HB1  ALA  25           HB1      ALA  25  39.407  -1.118   8.071
  169    HB2  ALA  25           HB2      ALA  25  37.828  -0.397   8.393
  170    HB3  ALA  25           HB3      ALA  25  39.294   0.402   8.957
  171    HA   PRO  26           HA       PRO  26  40.756  -2.659   4.806
  172    HB2  PRO  26           HB2      PRO  26  38.449  -2.788   2.916
  173    HB3  PRO  26           HB1      PRO  26  39.345  -4.106   3.697
  174    HG2  PRO  26           HG2      PRO  26  36.913  -3.424   4.529
  175    HG3  PRO  26           HG1      PRO  26  38.179  -3.914   5.667
  176    HD2  PRO  26           HD2      PRO  26  37.122  -1.172   5.102
  177    HD3  PRO  26           HD1      PRO  26  37.707  -1.878   6.622
  178    H    VAL  27           HN       VAL  27  38.812  -0.295   2.911
  179    HA   VAL  27           HA       VAL  27  40.685  -0.276   0.738
  180    HB   VAL  27           HB       VAL  27  39.444   1.713  -0.083
  181   HG11  VAL  27          HG11      VAL  27  37.103   0.225   0.384
  182   HG12  VAL  27          HG12      VAL  27  38.426  -0.940   0.405
  183   HG13  VAL  27          HG13      VAL  27  38.191   0.101  -1.000
  184   HG21  VAL  27          HG21      VAL  27  37.611   2.638   1.091
  185   HG22  VAL  27          HG22      VAL  27  38.883   2.511   2.298
  186   HG23  VAL  27          HG23      VAL  27  37.581   1.322   2.262
  187    H    LEU  28           HN       LEU  28  40.236   1.638   3.642
  188    HA   LEU  28           HA       LEU  28  42.005   3.750   3.004
  189    HB2  LEU  28           HB2      LEU  28  41.128   2.591   5.649
  190    HB3  LEU  28           HB1      LEU  28  42.165   4.008   5.533
  191    HG   LEU  28           HG       LEU  28  39.465   3.777   4.165
  192   HD11  LEU  28          HD11      LEU  28  38.859   5.491   6.031
  193   HD12  LEU  28          HD12      LEU  28  40.235   4.793   6.888
  194   HD13  LEU  28          HD13      LEU  28  38.874   3.771   6.424
  195   HD21  LEU  28          HD21      LEU  28  39.984   6.443   4.518
  196   HD22  LEU  28          HD22      LEU  28  40.370   5.553   3.047
  197   HD23  LEU  28          HD23      LEU  28  41.614   5.819   4.262
  198    H    GLN  29           HN       GLN  29  42.522   0.595   4.538
  199    HA   GLN  29           HA       GLN  29  45.243   0.966   5.218
  200    HB2  GLN  29           HB2      GLN  29  43.658  -1.534   4.621
  201    HB3  GLN  29           HB1      GLN  29  45.324  -1.559   5.193
  202    HG2  GLN  29           HG2      GLN  29  44.671  -0.334   7.212
  203    HG3  GLN  29           HG1      GLN  29  43.009  -0.236   6.635
  204   HE21  GLN  29          HE21      GLN  29  42.887  -1.469   8.933
  205   HE22  GLN  29          HE22      GLN  29  42.922  -3.162   8.827
  206    H    GLU  30           HN       GLU  30  43.692  -0.287   2.278
  207    HA   GLU  30           HA       GLU  30  46.128  -1.025   0.991
  208    HB2  GLU  30           HB2      GLU  30  43.919  -1.863   0.266
  209    HB3  GLU  30           HB1      GLU  30  43.485  -0.234  -0.254
  210    HG2  GLU  30           HG2      GLU  30  45.360  -0.228  -1.849
  211    HG3  GLU  30           HG1      GLU  30  45.835  -1.838  -1.304
  212    H    ILE  31           HN       ILE  31  44.172   1.972   1.026
  213    HA   ILE  31           HA       ILE  31  45.732   3.342  -0.914
  214    HB   ILE  31           HB       ILE  31  44.026   4.365   1.360
  215   HG12  ILE  31          HG12      ILE  31  42.829   3.172  -0.433
  216   HG13  ILE  31          HG11      ILE  31  42.424   4.879  -0.419
  217   HG21  ILE  31          HG21      ILE  31  45.724   5.784  -0.647
  218   HG22  ILE  31          HG22      ILE  31  45.364   6.212   1.025
  219   HG23  ILE  31          HG23      ILE  31  44.161   6.493  -0.233
  220   HD11  ILE  31          HD11      ILE  31  44.529   4.861  -2.190
  221   HD12  ILE  31          HD12      ILE  31  42.841   4.731  -2.665
  222   HD13  ILE  31          HD13      ILE  31  43.817   3.276  -2.487
  223    H    TYR  32           HN       TYR  32  45.915   3.180   2.635
  224    HA   TYR  32           HA       TYR  32  48.015   5.020   2.977
  225    HB2  TYR  32           HB2      TYR  32  46.688   4.217   4.846
  226    HB3  TYR  32           HB1      TYR  32  47.264   2.570   4.578
  227    HD1  TYR  32           HD1      TYR  32  48.403   6.019   5.434
  228    HD2  TYR  32           HD2      TYR  32  49.319   1.822   5.490
  229    HE1  TYR  32           HE1      TYR  32  50.370   6.466   6.869
  230    HE2  TYR  32           HE2      TYR  32  51.277   2.265   6.938
  231    HH   TYR  32           HH       TYR  32  52.086   3.952   8.464
  232    H    LEU  33           HN       LEU  33  48.067   1.493   2.529
  233    HA   LEU  33           HA       LEU  33  50.872   1.210   2.735
  234    HB2  LEU  33           HB2      LEU  33  49.310  -0.690   2.898
  235    HB3  LEU  33           HB1      LEU  33  48.881  -0.488   1.202
  236    HG   LEU  33           HG       LEU  33  51.221  -0.955   0.555
  237   HD11  LEU  33          HD11      LEU  33  52.658  -0.328   2.247
  238   HD12  LEU  33          HD12      LEU  33  52.529  -2.046   2.625
  239   HD13  LEU  33          HD13      LEU  33  51.565  -0.873   3.520
  240   HD21  LEU  33          HD21      LEU  33  49.591  -2.817   0.767
  241   HD22  LEU  33          HD22      LEU  33  50.080  -3.035   2.448
  242   HD23  LEU  33          HD23      LEU  33  51.231  -3.337   1.147
  243    H    SER  34           HN       SER  34  48.738   1.738  -0.043
  244    HA   SER  34           HA       SER  34  50.700   1.559  -2.064
  245    HB2  SER  34           HB2      SER  34  48.218   3.286  -2.088
  246    HB3  SER  34           HB1      SER  34  49.110   2.686  -3.482
  247    HG   SER  34           HG       SER  34  48.388   0.683  -3.102
  248    H    GLY  35           HN       GLY  35  49.563   4.252  -0.052
  249    HA2  GLY  35           HA2      GLY  35  50.910   6.324  -1.392
  250    HA3  GLY  35           HA1      GLY  35  50.380   6.353   0.284
  251    H    LEU  36           HN       LEU  36  51.978   4.203   1.285
  252    HA   LEU  36           HA       LEU  36  54.370   5.596   1.818
  253    HB2  LEU  36           HB2      LEU  36  53.441   2.799   2.349
  254    HB3  LEU  36           HB1      LEU  36  55.146   3.170   2.566
  255    HG   LEU  36           HG       LEU  36  54.447   5.072   4.074
  256   HD11  LEU  36          HD11      LEU  36  52.234   5.240   4.894
  257   HD12  LEU  36          HD12      LEU  36  51.764   3.694   4.191
  258   HD13  LEU  36          HD13      LEU  36  52.043   5.090   3.154
  259   HD21  LEU  36          HD21      LEU  36  53.559   2.291   4.886
  260   HD22  LEU  36          HD22      LEU  36  54.017   3.591   5.986
  261   HD23  LEU  36          HD23      LEU  36  55.221   2.876   4.914
  262    H    ARG  37           HN       ARG  37  53.688   2.955  -0.497
  263    HA   ARG  37           HA       ARG  37  56.385   2.579  -1.293
  264    HB2  ARG  37           HB2      ARG  37  53.785   2.094  -2.754
  265    HB3  ARG  37           HB1      ARG  37  55.358   1.665  -3.421
  266    HG2  ARG  37           HG2      ARG  37  55.803   0.206  -1.485
  267    HG3  ARG  37           HG1      ARG  37  54.258   0.672  -0.773
  268    HD2  ARG  37           HD2      ARG  37  53.068  -0.272  -2.701
  269    HD3  ARG  37           HD1      ARG  37  54.602  -0.726  -3.438
  270    HE   ARG  37           HE       ARG  37  54.574  -1.886  -0.915
  271   HH11  ARG  37          HH21      ARG  37  52.689  -1.945  -3.824
  272   HH12  ARG  37          HH22      ARG  37  52.190  -3.592  -3.626
  273   HH21  ARG  37          HH11      ARG  37  53.937  -4.051  -0.670
  274   HH22  ARG  37          HH12      ARG  37  52.905  -4.783  -1.851
  275    H    SER  38           HN       SER  38  53.855   4.781  -2.456
  276    HA   SER  38           HA       SER  38  55.419   5.856  -4.613
  277    HB2  SER  38           HB2      SER  38  53.631   7.596  -4.668
  278    HB3  SER  38           HB1      SER  38  53.002   5.955  -4.750
  279    HG   SER  38           HG       SER  38  53.122   6.446  -2.226
  280    H    TRP  39           HN       TRP  39  54.875   6.688  -1.240
  281    HA   TRP  39           HA       TRP  39  55.963   9.279  -1.217
  282    HB2  TRP  39           HB2      TRP  39  55.869   7.153   0.923
  283    HB3  TRP  39           HB1      TRP  39  56.367   8.815   1.213
  284    HD1  TRP  39           HD1      TRP  39  53.739   9.151  -1.268
  285    HE1  TRP  39           HE1      TRP  39  51.458   9.630  -0.186
  286    HE3  TRP  39           HE3      TRP  39  54.757   7.875   3.568
  287    HZ2  TRP  39           HZ2      TRP  39  50.213   9.509   2.373
  288    HZ3  TRP  39           HZ3      TRP  39  53.003   8.060   5.309
  289    HH2  TRP  39           HH2      TRP  39  50.733   8.875   4.723
  290    H    LYS  40           HN       LYS  40  57.553   6.126  -1.160
  291    HA   LYS  40           HA       LYS  40  60.045   6.947  -0.216
  292    HB2  LYS  40           HB2      LYS  40  59.397   4.571  -0.636
  293    HB3  LYS  40           HB1      LYS  40  59.552   4.880  -2.366
  294    HG2  LYS  40           HG2      LYS  40  61.900   5.474  -2.097
  295    HG3  LYS  40           HG1      LYS  40  61.778   5.287  -0.349
  296    HD2  LYS  40           HD2      LYS  40  61.226   2.909  -0.635
  297    HD3  LYS  40           HD1      LYS  40  61.358   3.084  -2.388
  298    HE2  LYS  40           HE2      LYS  40  63.717   3.762  -2.147
  299    HE3  LYS  40           HE1      LYS  40  63.590   3.613  -0.393
  300    HZ1  LYS  40           HZ1      LYS  40  62.659   1.289  -1.763
  301    HZ2  LYS  40           HZ2      LYS  40  63.810   1.415  -0.517
  302    HZ3  LYS  40           HZ3      LYS  40  64.274   1.630  -2.139
  303    H    ARG  41           HN       ARG  41  58.711   7.130  -3.579
  304    HA   ARG  41           HA       ARG  41  61.152   8.023  -4.714
  305    HB2  ARG  41           HB2      ARG  41  59.195   7.236  -6.033
  306    HB3  ARG  41           HB1      ARG  41  58.327   8.699  -5.577
  307    HG2  ARG  41           HG2      ARG  41  60.098  10.066  -6.653
  308    HG3  ARG  41           HG1      ARG  41  60.915   8.583  -7.152
  309    HD2  ARG  41           HD2      ARG  41  58.824   7.908  -8.357
  310    HD3  ARG  41           HD1      ARG  41  58.143   9.486  -7.970
  311    HE   ARG  41           HE       ARG  41  60.261   8.925  -9.899
  312   HH11  ARG  41          HH21      ARG  41  58.461  11.260  -8.069
  313   HH12  ARG  41          HH22      ARG  41  58.911  12.593  -9.078
  314   HH21  ARG  41          HH11      ARG  41  60.850  10.674 -11.222
  315   HH22  ARG  41          HH12      ARG  41  60.261  12.262 -10.860
  316    H    HIS  42           HN       HIS  42  58.394   9.721  -3.436
  317    HA   HIS  42           HA       HIS  42  59.313  12.389  -3.790
  318    HB2  HIS  42           HB2      HIS  42  57.226  11.183  -1.974
  319    HB3  HIS  42           HB1      HIS  42  57.532  12.920  -2.053
  320    HD2  HIS  42           HD2      HIS  42  56.415  14.194  -4.279
  321    HE1  HIS  42           HE1      HIS  42  55.059  10.725  -6.269
  322    HE2  HIS  42           HE2      HIS  42  55.050  13.257  -6.305
  323    H    LEU  43           HN       LEU  43  59.648  10.071  -1.214
  324    HA   LEU  43           HA       LEU  43  60.844  11.927   0.646
  325    HB2  LEU  43           HB2      LEU  43  60.419   8.953   0.740
  326    HB3  LEU  43           HB1      LEU  43  61.226   9.843   2.018
  327    HG   LEU  43           HG       LEU  43  58.430  10.467   1.013
  328   HD11  LEU  43          HD11      LEU  43  58.459   8.252   2.048
  329   HD12  LEU  43          HD12      LEU  43  57.699   9.401   3.149
  330   HD13  LEU  43          HD13      LEU  43  59.361   8.885   3.427
  331   HD21  LEU  43          HD21      LEU  43  58.550  11.465   3.506
  332   HD22  LEU  43          HD22      LEU  43  59.033  12.406   2.095
  333   HD23  LEU  43          HD23      LEU  43  60.253  11.604   3.084
  334    H    SER  44           HN       SER  44  62.015  10.308  -2.047
  335    HA   SER  44           HA       SER  44  64.424   9.225  -1.194
  336    HB2  SER  44           HB2      SER  44  63.814   8.761  -3.409
  337    HB3  SER  44           HB1      SER  44  63.601  10.464  -3.808
  338    HG   SER  44           HG       SER  44  65.986   9.013  -3.354
  339    H    ARG  45           HN       ARG  45  63.833  12.630  -2.204
  340    HA   ARG  45           HA       ARG  45  66.511  13.448  -2.050
  341    HB2  ARG  45           HB2      ARG  45  63.925  14.934  -1.574
  342    HB3  ARG  45           HB1      ARG  45  65.499  15.728  -1.605
  343    HG2  ARG  45           HG2      ARG  45  65.897  14.885  -3.882
  344    HG3  ARG  45           HG1      ARG  45  64.338  14.061  -3.852
  345    HD2  ARG  45           HD2      ARG  45  63.181  16.211  -3.591
  346    HD3  ARG  45           HD1      ARG  45  64.724  17.058  -3.576
  347    HE   ARG  45           HE       ARG  45  64.343  15.447  -5.943
  348   HH11  ARG  45          HH21      ARG  45  63.661  18.471  -4.398
  349   HH12  ARG  45          HH22      ARG  45  63.482  19.345  -5.882
  350   HH21  ARG  45          HH11      ARG  45  64.120  16.615  -7.898
  351   HH22  ARG  45          HH12      ARG  45  63.734  18.303  -7.851
  352    H    PHE  46           HN       PHE  46  63.981  13.598   0.445
  353    HA   PHE  46           HA       PHE  46  65.641  14.630   2.490
  354    HB2  PHE  46           HB2      PHE  46  63.045  13.090   2.549
  355    HB3  PHE  46           HB1      PHE  46  63.804  13.769   3.992
  356    HD1  PHE  46           HD2      PHE  46  64.065  16.215   4.242
  357    HD2  PHE  46           HD1      PHE  46  62.016  14.516   0.875
  358    HE1  PHE  46           HE2      PHE  46  63.085  18.431   3.716
  359    HE2  PHE  46           HE1      PHE  46  61.038  16.735   0.347
  360    HZ   PHE  46           HZ       PHE  46  61.569  18.693   1.773
  361    H    TRP  47           HN       TRP  47  64.721  11.340   1.571
  362    HA   TRP  47           HA       TRP  47  65.850  10.013   3.778
  363    HB2  TRP  47           HB2      TRP  47  64.337   8.794   2.429
  364    HB3  TRP  47           HB1      TRP  47  65.271   9.105   0.967
  365    HD1  TRP  47           HD1      TRP  47  66.969   7.350   0.312
  366    HE1  TRP  47           HE1      TRP  47  68.062   5.319   1.464
  367    HE3  TRP  47           HE3      TRP  47  65.126   7.904   5.044
  368    HZ2  TRP  47           HZ2      TRP  47  68.140   4.082   4.031
  369    HZ3  TRP  47           HZ3      TRP  47  65.728   6.283   6.820
  370    HH2  TRP  47           HH2      TRP  47  67.236   4.375   6.318
  371    H    ASN  48           HN       ASN  48  67.229  10.937   0.653
  372    HA   ASN  48           HA       ASN  48  69.694   9.589   0.944
  373    HB2  ASN  48           HB2      ASN  48  68.927  10.456  -1.220
  374    HB3  ASN  48           HB1      ASN  48  69.063  12.107  -0.617
  375   HD21  ASN  48          HD21      ASN  48  70.753  12.688  -2.145
  376   HD22  ASN  48          HD22      ASN  48  72.320  12.046  -2.024
  377    H    ASP  49           HN       ASP  49  68.659  12.850   1.854
  378    HA   ASP  49           HA       ASP  49  71.243  13.720   2.710
  379    HB2  ASP  49           HB2      ASP  49  68.456  14.760   3.223
  380    HB3  ASP  49           HB1      ASP  49  69.907  15.547   3.840
  381    H    PHE  50           HN       PHE  50  72.131  13.793   4.726
  382    HA   PHE  50           HA       PHE  50  70.941  11.979   6.706
  383    HB2  PHE  50           HB2      PHE  50  73.267  11.542   6.091
  384    HB3  PHE  50           HB1      PHE  50  73.715  13.189   6.539
  385    HD1  PHE  50           HD1      PHE  50  72.117  10.102   7.906
  386    HD2  PHE  50           HD2      PHE  50  74.346  13.679   8.767
  387    HE1  PHE  50           HE1      PHE  50  72.374   9.377  10.263
  388    HE2  PHE  50           HE2      PHE  50  74.599  12.954  11.127
  389    HZ   PHE  50           HZ       PHE  50  73.617  10.803  11.873
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1  -2.509  26.371  -0.345
    2    H2   MET   1           HT2      MET   1  -3.261  24.991  -0.993
    3    H3   MET   1           HT3      MET   1  -3.283  26.455  -1.854
    4    HA   MET   1           HA       MET   1  -1.257  24.422  -1.739
    5    HB2  MET   1           HB2      MET   1  -1.896  26.768  -3.547
    6    HB3  MET   1           HB1      MET   1  -0.607  25.607  -3.869
    7    HG2  MET   1           HG2      MET   1  -2.267  23.771  -3.856
    8    HG3  MET   1           HG1      MET   1  -3.551  24.943  -3.553
    9    HE1  MET   1           HE1      MET   1  -5.014  24.469  -5.573
   10    HE2  MET   1           HE2      MET   1  -3.968  23.064  -5.759
   11    HE3  MET   1           HE3      MET   1  -4.368  24.047  -7.166
   12    H    ALA   2           HN       ALA   2  -1.592  27.596  -0.518
   13    HA   ALA   2           HA       ALA   2   1.058  28.553  -0.771
   14    HB1  ALA   2           HB1      ALA   2   0.297  30.335   0.399
   15    HB2  ALA   2           HB2      ALA   2  -0.377  29.327   1.680
   16    HB3  ALA   2           HB3      ALA   2  -1.286  29.586   0.191
   17    H    GLU   3           HN       GLU   3  -0.534  26.531   1.641
   18    HA   GLU   3           HA       GLU   3   2.079  26.135   2.976
   19    HB2  GLU   3           HB2      GLU   3   0.326  27.167   4.403
   20    HB3  GLU   3           HB1      GLU   3  -0.704  25.768   4.117
   21    HG2  GLU   3           HG2      GLU   3   0.394  25.430   6.235
   22    HG3  GLU   3           HG1      GLU   3   1.142  24.324   5.089
   23    H    ALA   4           HN       ALA   4   2.967  24.184   2.770
   24    HA   ALA   4           HA       ALA   4   1.291  21.808   2.555
   25    HB1  ALA   4           HB1      ALA   4   3.403  22.195   0.453
   26    HB2  ALA   4           HB2      ALA   4   1.770  22.814   0.204
   27    HB3  ALA   4           HB3      ALA   4   2.029  21.089   0.457
   28    H    HIS   5           HN       HIS   5   2.412  19.866   2.990
   29    HA   HIS   5           HA       HIS   5   4.537  20.111   4.850
   30    HB2  HIS   5           HB2      HIS   5   2.927  18.253   4.913
   31    HB3  HIS   5           HB1      HIS   5   3.551  17.658   3.375
   32    HD2  HIS   5           HD2      HIS   5   5.764  16.001   3.629
   33    HE1  HIS   5           HE1      HIS   5   6.656  16.856   7.666
   34    HE2  HIS   5           HE2      HIS   5   7.278  15.408   5.674
   35    H    GLN   6           HN       GLN   6   4.422  19.099   1.456
   36    HA   GLN   6           HA       GLN   6   6.068  18.824  -0.119
   37    HB2  GLN   6           HB2      GLN   6   6.440  21.220   0.418
   38    HB3  GLN   6           HB1      GLN   6   7.589  20.744   1.666
   39    HG2  GLN   6           HG2      GLN   6   8.811  21.321  -0.360
   40    HG3  GLN   6           HG1      GLN   6   8.954  19.589  -0.086
   41   HE21  GLN   6          HE21      GLN   6   9.118  18.879  -2.269
   42   HE22  GLN   6          HE22      GLN   6   7.903  19.138  -3.426
   43    H    ALA   7           HN       ALA   7   7.048  16.925  -0.276
   44    HA   ALA   7           HA       ALA   7   9.346  16.317   1.405
   45    HB1  ALA   7           HB1      ALA   7   8.236  13.928   1.694
   46    HB2  ALA   7           HB2      ALA   7   6.743  14.858   1.576
   47    HB3  ALA   7           HB3      ALA   7   7.910  15.224   2.847
   48    H    VAL   8           HN       VAL   8  10.658  14.627   0.543
   49    HA   VAL   8           HA       VAL   8   9.933  13.730  -2.177
   50    HB   VAL   8           HB       VAL   8  12.277  14.131  -2.874
   51   HG11  VAL   8          HG11      VAL   8  10.627  15.824  -3.416
   52   HG12  VAL   8          HG12      VAL   8  12.107  16.640  -2.910
   53   HG13  VAL   8          HG13      VAL   8  10.744  16.513  -1.796
   54   HG21  VAL   8          HG21      VAL   8  13.666  15.612  -1.410
   55   HG22  VAL   8          HG22      VAL   8  13.361  14.031  -0.691
   56   HG23  VAL   8          HG23      VAL   8  12.453  15.439  -0.142
   57    H    GLY   9           HN       GLY   9  11.156  11.844  -2.902
   58    HA2  GLY   9           HA2      GLY   9  11.596   9.989  -0.684
   59    HA3  GLY   9           HA1      GLY   9  11.430   9.560  -2.383
   60    H    PHE  10           HN       PHE  10  13.437  11.916  -2.834
   61    HA   PHE  10           HA       PHE  10  15.732  10.312  -3.168
   62    HB2  PHE  10           HB2      PHE  10  15.381  13.313  -3.105
   63    HB3  PHE  10           HB1      PHE  10  16.907  12.521  -3.500
   64    HD1  PHE  10           HD1      PHE  10  17.076  11.039  -5.488
   65    HD2  PHE  10           HD2      PHE  10  13.542  13.333  -4.662
   66    HE1  PHE  10           HE1      PHE  10  16.302  10.687  -7.819
   67    HE2  PHE  10           HE2      PHE  10  12.767  12.982  -6.992
   68    HZ   PHE  10           HZ       PHE  10  14.148  11.659  -8.570
   69    H    ARG  11           HN       ARG  11  14.856  12.650  -0.639
   70    HA   ARG  11           HA       ARG  11  15.808  13.096   1.416
   71    HB2  ARG  11           HB2      ARG  11  14.967  10.682   1.608
   72    HB3  ARG  11           HB1      ARG  11  16.651  10.202   1.394
   73    HG2  ARG  11           HG2      ARG  11  17.136  11.918   3.296
   74    HG3  ARG  11           HG1      ARG  11  15.412  11.773   3.642
   75    HD2  ARG  11           HD2      ARG  11  15.695   9.294   3.782
   76    HD3  ARG  11           HD1      ARG  11  17.429   9.511   3.569
   77    HE   ARG  11           HE       ARG  11  15.941   9.947   5.986
   78   HH11  ARG  11          HH21      ARG  11  18.655  10.957   4.096
   79   HH12  ARG  11          HH22      ARG  11  19.558  11.545   5.450
   80   HH21  ARG  11          HH11      ARG  11  17.124  10.714   7.775
   81   HH22  ARG  11          HH12      ARG  11  18.691  11.411   7.533
   82    HA   PRO  12           HA       PRO  12  20.048  13.432  -0.487
   83    HB2  PRO  12           HB2      PRO  12  19.852  16.131   0.708
   84    HB3  PRO  12           HB1      PRO  12  20.281  15.659  -0.947
   85    HG2  PRO  12           HG2      PRO  12  17.935  16.811  -0.347
   86    HG3  PRO  12           HG1      PRO  12  18.104  15.615  -1.642
   87    HD2  PRO  12           HD2      PRO  12  16.946  15.271   1.100
   88    HD3  PRO  12           HD1      PRO  12  16.452  14.521  -0.437
   89    H    SER  13           HN       SER  13  22.010  13.286   0.587
   90    HA   SER  13           HA       SER  13  22.014  13.719   3.503
   91    HB2  SER  13           HB2      SER  13  21.601  11.317   3.090
   92    HB3  SER  13           HB1      SER  13  23.064  11.240   2.114
   93    HG   SER  13           HG       SER  13  24.277  11.558   3.892
   94    H    LEU  14           HN       LEU  14  23.979  14.316   4.371
   95    HA   LEU  14           HA       LEU  14  25.776  15.706   2.703
   96    HB2  LEU  14           HB2      LEU  14  25.438  16.286   5.066
   97    HB3  LEU  14           HB1      LEU  14  26.128  14.741   5.557
   98    HG   LEU  14           HG       LEU  14  28.286  15.363   4.561
   99   HD11  LEU  14          HD11      LEU  14  27.881  16.745   2.735
  100   HD12  LEU  14          HD12      LEU  14  28.392  17.927   3.937
  101   HD13  LEU  14          HD13      LEU  14  26.677  17.702   3.598
  102   HD21  LEU  14          HD21      LEU  14  27.216  17.620   6.282
  103   HD22  LEU  14          HD22      LEU  14  28.897  17.111   6.134
  104   HD23  LEU  14          HD23      LEU  14  27.721  16.050   6.908
  105    H    THR  15           HN       THR  15  25.976  12.521   4.258
  106    HA   THR  15           HA       THR  15  28.632  12.001   3.266
  107    HB   THR  15           HB       THR  15  28.116   9.653   4.096
  108    HG1  THR  15           HG1      THR  15  26.017  10.544   5.564
  109   HG21  THR  15          HG21      THR  15  29.243  10.689   5.768
  110   HG22  THR  15          HG22      THR  15  27.663  10.798   6.545
  111   HG23  THR  15          HG23      THR  15  28.288  12.164   5.621
  112    H    SER  16           HN       SER  16  29.086  10.030   1.942
  113    HA   SER  16           HA       SER  16  27.754  10.220  -0.553
  114    HB2  SER  16           HB2      SER  16  30.100   9.589  -0.434
  115    HB3  SER  16           HB1      SER  16  29.693   8.144   0.489
  116    HG   SER  16           HG       SER  16  29.798   8.408  -2.118
  117    H    ASP  17           HN       ASP  17  26.357   8.806  -1.600
  118    HA   ASP  17           HA       ASP  17  24.602   7.293   0.134
  119    HB2  ASP  17           HB2      ASP  17  23.708   8.598  -1.763
  120    HB3  ASP  17           HB1      ASP  17  24.598   7.568  -2.882
  121    H    GLY  18           HN       GLY  18  25.067   5.294   0.766
  122    HA2  GLY  18           HA2      GLY  18  25.436   2.997   0.455
  123    HA3  GLY  18           HA1      GLY  18  25.995   3.329  -1.182
  124    H    ALA  19           HN       ALA  19  27.400   5.491   0.960
  125    HA   ALA  19           HA       ALA  19  29.635   3.769   1.725
  126    HB1  ALA  19           HB1      ALA  19  30.886   4.368  -0.047
  127    HB2  ALA  19           HB2      ALA  19  30.939   5.987   0.644
  128    HB3  ALA  19           HB3      ALA  19  29.717   5.581  -0.563
  129    H    GLU  20           HN       GLU  20  30.898   4.642   3.400
  130    HA   GLU  20           HA       GLU  20  30.083   7.270   4.452
  131    HB2  GLU  20           HB2      GLU  20  30.169   4.705   6.032
  132    HB3  GLU  20           HB1      GLU  20  30.041   6.300   6.764
  133    HG2  GLU  20           HG2      GLU  20  27.794   5.650   6.618
  134    HG3  GLU  20           HG1      GLU  20  28.008   6.590   5.148
  135    H    VAL  21           HN       VAL  21  31.660   8.382   5.596
  136    HA   VAL  21           HA       VAL  21  34.363   7.811   4.920
  137    HB   VAL  21           HB       VAL  21  34.905   9.717   6.400
  138   HG11  VAL  21          HG11      VAL  21  34.023  10.054   4.077
  139   HG12  VAL  21          HG12      VAL  21  33.638  11.396   5.153
  140   HG13  VAL  21          HG13      VAL  21  32.401  10.206   4.750
  141   HG21  VAL  21          HG21      VAL  21  33.328   9.291   8.218
  142   HG22  VAL  21          HG22      VAL  21  31.960   9.533   7.130
  143   HG23  VAL  21          HG23      VAL  21  33.010  10.888   7.544
  144    H    GLU  22           HN       GLU  22  32.444   7.301   7.827
  145    HA   GLU  22           HA       GLU  22  34.514   6.513   9.559
  146    HB2  GLU  22           HB2      GLU  22  31.587   5.734   9.554
  147    HB3  GLU  22           HB1      GLU  22  32.706   5.390  10.868
  148    HG2  GLU  22           HG2      GLU  22  31.757   7.375  11.590
  149    HG3  GLU  22           HG1      GLU  22  33.203   7.953  10.778
  150    H    LEU  23           HN       LEU  23  32.575   4.687   7.225
  151    HA   LEU  23           HA       LEU  23  34.092   2.251   7.930
  152    HB2  LEU  23           HB2      LEU  23  31.564   2.569   6.297
  153    HB3  LEU  23           HB1      LEU  23  32.332   1.041   6.708
  154    HG   LEU  23           HG       LEU  23  31.236   3.048   8.707
  155   HD11  LEU  23          HD11      LEU  23  29.340   2.054   7.756
  156   HD12  LEU  23          HD12      LEU  23  29.676   0.984   9.117
  157   HD13  LEU  23          HD13      LEU  23  30.161   0.518   7.487
  158   HD21  LEU  23          HD21      LEU  23  31.542   0.826  10.144
  159   HD22  LEU  23          HD22      LEU  23  32.885   1.945   9.918
  160   HD23  LEU  23          HD23      LEU  23  32.779   0.487   8.933
  161    H    SER  24           HN       SER  24  35.628   1.547   6.608
  162    HA   SER  24           HA       SER  24  35.769   1.173   3.968
  163    HB2  SER  24           HB2      SER  24  35.323   3.288   3.144
  164    HB3  SER  24           HB1      SER  24  36.039   4.099   4.534
  165    HG   SER  24           HG       SER  24  37.237   4.138   2.465
  166    H    ALA  25           HN       ALA  25  36.972   0.936   6.775
  167    HA   ALA  25           HA       ALA  25  39.613   1.621   6.906
  168    HB1  ALA  25           HB1      ALA  25  39.394   0.497   8.818
  169    HB2  ALA  25           HB2      ALA  25  39.464  -1.022   7.920
  170    HB3  ALA  25           HB3      ALA  25  37.908  -0.252   8.233
  171    HA   PRO  26           HA       PRO  26  40.864  -2.553   4.642
  172    HB2  PRO  26           HB2      PRO  26  38.579  -2.633   2.721
  173    HB3  PRO  26           HB1      PRO  26  39.441  -3.970   3.502
  174    HG2  PRO  26           HG2      PRO  26  37.000  -3.240   4.278
  175    HG3  PRO  26           HG1      PRO  26  38.216  -3.810   5.433
  176    HD2  PRO  26           HD2      PRO  26  37.234  -1.029   4.950
  177    HD3  PRO  26           HD1      PRO  26  37.806  -1.783   6.456
  178    H    VAL  27           HN       VAL  27  38.926  -0.144   2.869
  179    HA   VAL  27           HA       VAL  27  40.641   0.013   0.602
  180    HB   VAL  27           HB       VAL  27  38.579   1.926   1.716
  181   HG11  VAL  27          HG11      VAL  27  39.813   3.363   0.394
  182   HG12  VAL  27          HG12      VAL  27  38.754   2.661  -0.829
  183   HG13  VAL  27          HG13      VAL  27  40.404   2.065  -0.642
  184   HG21  VAL  27          HG21      VAL  27  38.108  -0.493   0.662
  185   HG22  VAL  27          HG22      VAL  27  38.284   0.412  -0.840
  186   HG23  VAL  27          HG23      VAL  27  37.052   0.882   0.333
  187    H    LEU  28           HN       LEU  28  40.317   1.858   3.585
  188    HA   LEU  28           HA       LEU  28  42.204   3.860   3.003
  189    HB2  LEU  28           HB2      LEU  28  41.254   2.689   5.614
  190    HB3  LEU  28           HB1      LEU  28  42.331   4.081   5.525
  191    HG   LEU  28           HG       LEU  28  39.630   3.935   4.149
  192   HD11  LEU  28          HD11      LEU  28  38.907   4.050   6.327
  193   HD12  LEU  28          HD12      LEU  28  39.259   5.763   6.089
  194   HD13  LEU  28          HD13      LEU  28  40.430   4.726   6.904
  195   HD21  LEU  28          HD21      LEU  28  40.486   5.731   3.063
  196   HD22  LEU  28          HD22      LEU  28  41.854   5.862   4.165
  197   HD23  LEU  28          HD23      LEU  28  40.306   6.591   4.589
  198    H    GLN  29           HN       GLN  29  42.592   0.678   4.552
  199    HA   GLN  29           HA       GLN  29  45.324   0.995   5.253
  200    HB2  GLN  29           HB2      GLN  29  43.681  -1.487   4.695
  201    HB3  GLN  29           HB1      GLN  29  45.321  -1.517   5.343
  202    HG2  GLN  29           HG2      GLN  29  42.969  -0.105   6.645
  203    HG3  GLN  29           HG1      GLN  29  43.594  -1.675   7.134
  204   HE21  GLN  29          HE21      GLN  29  43.647   1.410   8.167
  205   HE22  GLN  29          HE22      GLN  29  45.213   1.492   8.816
  206    H    GLU  30           HN       GLU  30  43.758  -0.350   2.344
  207    HA   GLU  30           HA       GLU  30  46.172  -1.171   1.071
  208    HB2  GLU  30           HB2      GLU  30  43.483  -0.369  -0.080
  209    HB3  GLU  30           HB1      GLU  30  44.798  -1.048  -1.044
  210    HG2  GLU  30           HG2      GLU  30  44.798  -3.073   0.332
  211    HG3  GLU  30           HG1      GLU  30  43.545  -2.389   1.370
  212    H    ILE  31           HN       ILE  31  44.325   1.910   1.085
  213    HA   ILE  31           HA       ILE  31  45.968   3.173  -0.891
  214    HB   ILE  31           HB       ILE  31  44.272   4.314   1.342
  215   HG12  ILE  31          HG12      ILE  31  43.830   4.323  -1.660
  216   HG13  ILE  31          HG11      ILE  31  43.201   3.056  -0.604
  217   HG21  ILE  31          HG21      ILE  31  44.534   6.372  -0.369
  218   HG22  ILE  31          HG22      ILE  31  46.087   5.592  -0.658
  219   HG23  ILE  31          HG23      ILE  31  45.660   6.123   0.965
  220   HD11  ILE  31          HD11      ILE  31  42.002   4.754   0.726
  221   HD12  ILE  31          HD12      ILE  31  41.513   4.800  -0.965
  222   HD13  ILE  31          HD13      ILE  31  42.620   6.024  -0.337
  223    H    TYR  32           HN       TYR  32  46.137   3.131   2.691
  224    HA   TYR  32           HA       TYR  32  48.313   4.883   2.939
  225    HB2  TYR  32           HB2      TYR  32  46.996   4.206   4.874
  226    HB3  TYR  32           HB1      TYR  32  47.539   2.537   4.683
  227    HD1  TYR  32           HD2      TYR  32  48.743   6.009   5.306
  228    HD2  TYR  32           HD1      TYR  32  49.587   1.818   5.598
  229    HE1  TYR  32           HE2      TYR  32  50.769   6.513   6.641
  230    HE2  TYR  32           HE1      TYR  32  51.617   2.309   6.927
  231    HH   TYR  32           HH       TYR  32  52.202   4.823   8.523
  232    H    LEU  33           HN       LEU  33  48.289   1.312   2.569
  233    HA   LEU  33           HA       LEU  33  51.096   0.984   2.692
  234    HB2  LEU  33           HB2      LEU  33  48.857  -0.667   1.589
  235    HB3  LEU  33           HB1      LEU  33  50.512  -1.093   1.173
  236    HG   LEU  33           HG       LEU  33  51.002  -1.072   3.694
  237   HD11  LEU  33          HD11      LEU  33  49.190  -1.173   5.239
  238   HD12  LEU  33          HD12      LEU  33  48.006  -1.391   3.941
  239   HD13  LEU  33          HD13      LEU  33  48.793   0.173   4.168
  240   HD21  LEU  33          HD21      LEU  33  50.880  -3.146   2.550
  241   HD22  LEU  33          HD22      LEU  33  49.127  -3.041   2.395
  242   HD23  LEU  33          HD23      LEU  33  49.859  -3.324   3.975
  243    H    SER  34           HN       SER  34  48.881   1.628  -0.004
  244    HA   SER  34           HA       SER  34  50.860   1.398  -2.057
  245    HB2  SER  34           HB2      SER  34  48.213   2.848  -2.032
  246    HB3  SER  34           HB1      SER  34  49.240   2.679  -3.445
  247    HG   SER  34           HG       SER  34  48.882   0.541  -3.480
  248    H    GLY  35           HN       GLY  35  49.678   4.075  -0.071
  249    HA2  GLY  35           HA2      GLY  35  51.019   6.171  -1.452
  250    HA3  GLY  35           HA1      GLY  35  50.474   6.222   0.228
  251    H    LEU  36           HN       LEU  36  52.047   4.014   1.201
  252    HA   LEU  36           HA       LEU  36  54.431   5.357   1.835
  253    HB2  LEU  36           HB2      LEU  36  53.485   3.597   3.265
  254    HB3  LEU  36           HB1      LEU  36  53.772   2.403   2.004
  255    HG   LEU  36           HG       LEU  36  56.195   2.766   2.170
  256   HD11  LEU  36          HD11      LEU  36  56.572   4.981   2.768
  257   HD12  LEU  36          HD12      LEU  36  56.854   4.169   4.308
  258   HD13  LEU  36          HD13      LEU  36  55.313   4.966   4.002
  259   HD21  LEU  36          HD21      LEU  36  54.759   2.277   4.793
  260   HD22  LEU  36          HD22      LEU  36  56.490   2.007   4.580
  261   HD23  LEU  36          HD23      LEU  36  55.327   1.069   3.642
  262    H    ARG  37           HN       ARG  37  53.732   2.804  -0.560
  263    HA   ARG  37           HA       ARG  37  56.414   2.459  -1.412
  264    HB2  ARG  37           HB2      ARG  37  53.793   2.025  -2.861
  265    HB3  ARG  37           HB1      ARG  37  55.354   1.509  -3.487
  266    HG2  ARG  37           HG2      ARG  37  54.264   0.614  -0.803
  267    HG3  ARG  37           HG1      ARG  37  54.022  -0.293  -2.291
  268    HD2  ARG  37           HD2      ARG  37  56.498  -0.445  -2.558
  269    HD3  ARG  37           HD1      ARG  37  56.698   0.356  -1.010
  270    HE   ARG  37           HE       ARG  37  55.682  -2.356  -1.427
  271   HH11  ARG  37          HH21      ARG  37  56.366   0.287   0.721
  272   HH12  ARG  37          HH22      ARG  37  56.387  -0.704   2.139
  273   HH21  ARG  37          HH11      ARG  37  55.693  -3.636   0.432
  274   HH22  ARG  37          HH12      ARG  37  56.010  -2.919   1.976
  275    H    SER  38           HN       SER  38  53.818   4.603  -2.475
  276    HA   SER  38           HA       SER  38  55.271   5.765  -4.653
  277    HB2  SER  38           HB2      SER  38  52.812   5.755  -4.586
  278    HB3  SER  38           HB1      SER  38  52.844   6.772  -3.148
  279    HG   SER  38           HG       SER  38  54.338   8.048  -4.780
  280    H    TRP  39           HN       TRP  39  54.741   6.589  -1.268
  281    HA   TRP  39           HA       TRP  39  55.706   9.211  -1.254
  282    HB2  TRP  39           HB2      TRP  39  55.616   7.064   0.850
  283    HB3  TRP  39           HB1      TRP  39  56.228   8.671   1.194
  284    HD1  TRP  39           HD1      TRP  39  53.473   8.807  -1.305
  285    HE1  TRP  39           HE1      TRP  39  51.298   9.595  -0.185
  286    HE3  TRP  39           HE3      TRP  39  54.811   8.412   3.613
  287    HZ2  TRP  39           HZ2      TRP  39  50.253  10.011   2.449
  288    HZ3  TRP  39           HZ3      TRP  39  53.210   9.017   5.402
  289    HH2  TRP  39           HH2      TRP  39  50.932   9.813   4.828
  290    H    LYS  40           HN       LYS  40  57.512   6.151  -1.060
  291    HA   LYS  40           HA       LYS  40  59.948   7.175  -0.174
  292    HB2  LYS  40           HB2      LYS  40  59.476   4.755  -0.547
  293    HB3  LYS  40           HB1      LYS  40  59.576   5.032  -2.286
  294    HG2  LYS  40           HG2      LYS  40  61.887   5.816  -2.054
  295    HG3  LYS  40           HG1      LYS  40  61.799   5.613  -0.305
  296    HD2  LYS  40           HD2      LYS  40  61.401   3.190  -0.612
  297    HD3  LYS  40           HD1      LYS  40  61.517   3.401  -2.361
  298    HE2  LYS  40           HE2      LYS  40  63.826   4.233  -2.117
  299    HE3  LYS  40           HE1      LYS  40  63.718   4.033  -0.368
  300    HZ1  LYS  40           HZ1      LYS  40  64.188   1.892  -0.569
  301    HZ2  LYS  40           HZ2      LYS  40  64.473   2.135  -2.226
  302    HZ3  LYS  40           HZ3      LYS  40  62.934   1.655  -1.687
  303    H    ARG  41           HN       ARG  41  58.588   7.169  -3.512
  304    HA   ARG  41           HA       ARG  41  60.899   8.162  -4.758
  305    HB2  ARG  41           HB2      ARG  41  58.932   7.272  -5.969
  306    HB3  ARG  41           HB1      ARG  41  58.013   8.702  -5.500
  307    HG2  ARG  41           HG2      ARG  41  59.607  10.143  -6.690
  308    HG3  ARG  41           HG1      ARG  41  60.576   8.734  -7.125
  309    HD2  ARG  41           HD2      ARG  41  59.145   9.315  -9.005
  310    HD3  ARG  41           HD1      ARG  41  58.587   7.795  -8.309
  311    HE   ARG  41           HE       ARG  41  57.208   9.964  -7.105
  312   HH11  ARG  41          HH21      ARG  41  57.503   8.188 -10.057
  313   HH12  ARG  41          HH22      ARG  41  55.872   8.481 -10.560
  314   HH21  ARG  41          HH11      ARG  41  55.071  10.363  -7.759
  315   HH22  ARG  41          HH12      ARG  41  54.494   9.712  -9.257
  316    H    HIS  42           HN       HIS  42  58.185   9.777  -3.316
  317    HA   HIS  42           HA       HIS  42  59.042  12.481  -3.823
  318    HB2  HIS  42           HB2      HIS  42  56.969  11.355  -1.926
  319    HB3  HIS  42           HB1      HIS  42  57.232  13.078  -2.199
  320    HD2  HIS  42           HD2      HIS  42  55.295  10.180  -3.799
  321    HE1  HIS  42           HE1      HIS  42  55.384  13.266  -6.681
  322    HE2  HIS  42           HE2      HIS  42  54.329  11.038  -6.067
  323    H    LEU  43           HN       LEU  43  59.337  10.219  -1.195
  324    HA   LEU  43           HA       LEU  43  60.585  12.099   0.621
  325    HB2  LEU  43           HB2      LEU  43  59.659   9.278   0.846
  326    HB3  LEU  43           HB1      LEU  43  60.895   9.852   1.960
  327    HG   LEU  43           HG       LEU  43  59.465  11.718   2.642
  328   HD11  LEU  43          HD11      LEU  43  57.117  11.845   1.856
  329   HD12  LEU  43          HD12      LEU  43  57.446  10.564   0.701
  330   HD13  LEU  43          HD13      LEU  43  58.258  12.116   0.542
  331   HD21  LEU  43          HD21      LEU  43  58.157   8.990   2.688
  332   HD22  LEU  43          HD22      LEU  43  57.578  10.354   3.643
  333   HD23  LEU  43          HD23      LEU  43  59.193   9.705   3.923
  334    H    SER  44           HN       SER  44  61.703  10.379  -1.980
  335    HA   SER  44           HA       SER  44  64.049   9.178  -1.099
  336    HB2  SER  44           HB2      SER  44  63.421   8.794  -3.342
  337    HB3  SER  44           HB1      SER  44  63.335  10.518  -3.702
  338    HG   SER  44           HG       SER  44  65.304  10.150  -4.400
  339    H    ARG  45           HN       ARG  45  63.621  12.636  -2.078
  340    HA   ARG  45           HA       ARG  45  66.351  13.285  -1.841
  341    HB2  ARG  45           HB2      ARG  45  64.643  14.769  -2.866
  342    HB3  ARG  45           HB1      ARG  45  63.978  15.077  -1.262
  343    HG2  ARG  45           HG2      ARG  45  66.160  16.000  -0.540
  344    HG3  ARG  45           HG1      ARG  45  66.807  15.704  -2.155
  345    HD2  ARG  45           HD2      ARG  45  64.995  17.173  -3.077
  346    HD3  ARG  45           HD1      ARG  45  64.526  17.558  -1.425
  347    HE   ARG  45           HE       ARG  45  67.321  18.040  -1.942
  348   HH11  ARG  45          HH21      ARG  45  64.093  19.264  -2.197
  349   HH12  ARG  45          HH22      ARG  45  64.578  20.927  -2.208
  350   HH21  ARG  45          HH11      ARG  45  67.963  20.214  -1.951
  351   HH22  ARG  45          HH12      ARG  45  66.771  21.465  -2.067
  352    H    PHE  46           HN       PHE  46  63.731  13.531   0.558
  353    HA   PHE  46           HA       PHE  46  65.297  14.488   2.696
  354    HB2  PHE  46           HB2      PHE  46  62.844  14.585   2.692
  355    HB3  PHE  46           HB1      PHE  46  62.771  12.823   2.769
  356    HD1  PHE  46           HD2      PHE  46  64.153  15.797   4.568
  357    HD2  PHE  46           HD1      PHE  46  62.820  11.722   4.845
  358    HE1  PHE  46           HE2      PHE  46  64.366  15.896   7.036
  359    HE2  PHE  46           HE1      PHE  46  63.035  11.821   7.314
  360    HZ   PHE  46           HZ       PHE  46  63.806  13.909   8.410
  361    H    TRP  47           HN       TRP  47  64.379  11.215   1.732
  362    HA   TRP  47           HA       TRP  47  65.518   9.838   3.907
  363    HB2  TRP  47           HB2      TRP  47  63.960   8.669   2.551
  364    HB3  TRP  47           HB1      TRP  47  64.880   8.997   1.084
  365    HD1  TRP  47           HD1      TRP  47  66.581   7.234   0.376
  366    HE1  TRP  47           HE1      TRP  47  67.620   5.142   1.472
  367    HE3  TRP  47           HE3      TRP  47  64.706   7.691   5.104
  368    HZ2  TRP  47           HZ2      TRP  47  67.647   3.837   4.016
  369    HZ3  TRP  47           HZ3      TRP  47  65.252   6.010   6.841
  370    HH2  TRP  47           HH2      TRP  47  66.720   4.086   6.304
  371    H    ASN  48           HN       ASN  48  66.866  10.761   0.762
  372    HA   ASN  48           HA       ASN  48  69.313   9.370   1.001
  373    HB2  ASN  48           HB2      ASN  48  68.463  11.802  -0.564
  374    HB3  ASN  48           HB1      ASN  48  70.112  11.186  -0.635
  375   HD21  ASN  48          HD21      ASN  48  68.417  11.165  -2.941
  376   HD22  ASN  48          HD22      ASN  48  68.070   9.550  -3.332
  377    H    ASP  49           HN       ASP  49  68.320  12.631   1.985
  378    HA   ASP  49           HA       ASP  49  70.968  13.114   3.152
  379    HB2  ASP  49           HB2      ASP  49  69.764  14.875   1.797
  380    HB3  ASP  49           HB1      ASP  49  68.586  14.972   3.105
  381    H    PHE  50           HN       PHE  50  71.272  12.283   5.119
  382    HA   PHE  50           HA       PHE  50  69.371  12.930   7.233
  383    HB2  PHE  50           HB2      PHE  50  68.532  10.775   6.449
  384    HB3  PHE  50           HB1      PHE  50  70.144  10.073   6.587
  385    HD1  PHE  50           HD2      PHE  50  67.510  11.816   8.592
  386    HD2  PHE  50           HD1      PHE  50  70.847   9.113   8.615
  387    HE1  PHE  50           HE2      PHE  50  67.084  11.313  10.982
  388    HE2  PHE  50           HE1      PHE  50  70.422   8.608  11.007
  389    HZ   PHE  50           HZ       PHE  50  68.539   9.710  12.190
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1  33.768  26.001 -20.650
    2    H2   MET   1           HT2      MET   1  33.330  25.333 -22.147
    3    H3   MET   1           HT3      MET   1  32.137  25.659 -20.977
    4    HA   MET   1           HA       MET   1  33.531  27.483 -22.789
    5    HB2  MET   1           HB2      MET   1  31.151  26.735 -23.084
    6    HB3  MET   1           HB1      MET   1  30.759  27.531 -21.563
    7    HG2  MET   1           HG2      MET   1  31.563  29.684 -22.490
    8    HG3  MET   1           HG1      MET   1  31.923  28.882 -24.021
    9    HE1  MET   1           HE1      MET   1  30.124  29.300 -25.997
   10    HE2  MET   1           HE2      MET   1  28.758  28.214 -25.752
   11    HE3  MET   1           HE3      MET   1  30.391  27.656 -25.396
   12    H    ALA   2           HN       ALA   2  33.757  29.683 -22.284
   13    HA   ALA   2           HA       ALA   2  34.688  30.204 -19.645
   14    HB1  ALA   2           HB1      ALA   2  35.816  31.508 -21.167
   15    HB2  ALA   2           HB2      ALA   2  34.581  32.659 -20.659
   16    HB3  ALA   2           HB3      ALA   2  34.386  31.765 -22.168
   17    H    GLU   3           HN       GLU   3  33.803  31.439 -18.024
   18    HA   GLU   3           HA       GLU   3  32.154  32.310 -16.688
   19    HB2  GLU   3           HB2      GLU   3  31.117  33.282 -19.365
   20    HB3  GLU   3           HB1      GLU   3  30.489  33.809 -17.807
   21    HG2  GLU   3           HG2      GLU   3  33.377  34.066 -18.677
   22    HG3  GLU   3           HG1      GLU   3  32.195  35.372 -18.735
   23    H    ALA   4           HN       ALA   4  31.879  29.582 -17.692
   24    HA   ALA   4           HA       ALA   4  29.154  29.029 -18.318
   25    HB1  ALA   4           HB1      ALA   4  31.586  27.495 -17.713
   26    HB2  ALA   4           HB2      ALA   4  30.311  27.177 -18.890
   27    HB3  ALA   4           HB3      ALA   4  30.090  26.712 -17.201
   28    H    HIS   5           HN       HIS   5  27.484  28.334 -17.055
   29    HA   HIS   5           HA       HIS   5  27.738  28.848 -14.155
   30    HB2  HIS   5           HB2      HIS   5  25.331  28.927 -15.994
   31    HB3  HIS   5           HB1      HIS   5  25.280  29.211 -14.255
   32    HD2  HIS   5           HD2      HIS   5  26.222  31.744 -13.439
   33    HE1  HIS   5           HE1      HIS   5  27.117  33.187 -17.302
   34    HE2  HIS   5           HE2      HIS   5  26.915  33.825 -14.853
   35    H    GLN   6           HN       GLN   6  27.422  27.187 -12.774
   36    HA   GLN   6           HA       GLN   6  26.105  24.733 -13.780
   37    HB2  GLN   6           HB2      GLN   6  28.552  24.919 -12.002
   38    HB3  GLN   6           HB1      GLN   6  27.711  23.426 -12.412
   39    HG2  GLN   6           HG2      GLN   6  28.989  25.310 -14.418
   40    HG3  GLN   6           HG1      GLN   6  29.697  23.796 -13.858
   41   HE21  GLN   6          HE21      GLN   6  28.194  24.940 -16.518
   42   HE22  GLN   6          HE22      GLN   6  27.301  23.571 -16.981
   43    H    ALA   7           HN       ALA   7  24.641  23.787 -12.404
   44    HA   ALA   7           HA       ALA   7  23.586  25.339 -10.273
   45    HB1  ALA   7           HB1      ALA   7  22.263  23.697 -11.605
   46    HB2  ALA   7           HB2      ALA   7  22.109  23.465  -9.864
   47    HB3  ALA   7           HB3      ALA   7  23.145  22.393 -10.805
   48    H    VAL   8           HN       VAL   8  23.787  25.170  -8.098
   49    HA   VAL   8           HA       VAL   8  25.717  23.211  -7.023
   50    HB   VAL   8           HB       VAL   8  26.939  25.260  -7.134
   51   HG11  VAL   8          HG11      VAL   8  25.086  26.787  -7.574
   52   HG12  VAL   8          HG12      VAL   8  25.998  27.373  -6.183
   53   HG13  VAL   8          HG13      VAL   8  24.462  26.544  -5.942
   54   HG21  VAL   8          HG21      VAL   8  25.778  25.263  -4.338
   55   HG22  VAL   8          HG22      VAL   8  27.416  25.686  -4.832
   56   HG23  VAL   8          HG23      VAL   8  26.886  24.007  -4.894
   57    H    GLY   9           HN       GLY   9  25.095  22.225  -5.193
   58    HA2  GLY   9           HA2      GLY   9  23.930  21.827  -3.222
   59    HA3  GLY   9           HA1      GLY   9  23.089  23.357  -3.439
   60    H    PHE  10           HN       PHE  10  23.057  21.428  -6.233
   61    HA   PHE  10           HA       PHE  10  20.348  20.400  -5.594
   62    HB2  PHE  10           HB2      PHE  10  20.068  22.170  -7.189
   63    HB3  PHE  10           HB1      PHE  10  21.419  21.584  -8.159
   64    HD1  PHE  10           HD1      PHE  10  18.090  20.495  -6.829
   65    HD2  PHE  10           HD2      PHE  10  21.038  20.109  -9.927
   66    HE1  PHE  10           HE1      PHE  10  16.567  19.005  -8.092
   67    HE2  PHE  10           HE2      PHE  10  19.520  18.615 -11.188
   68    HZ   PHE  10           HZ       PHE  10  17.281  18.061 -10.270
   69    H    ARG  11           HN       ARG  11  20.096  18.233  -5.826
   70    HA   ARG  11           HA       ARG  11  21.838  16.792  -7.694
   71    HB2  ARG  11           HB2      ARG  11  21.519  16.064  -4.769
   72    HB3  ARG  11           HB1      ARG  11  22.324  15.065  -5.973
   73    HG2  ARG  11           HG2      ARG  11  23.766  17.199  -6.430
   74    HG3  ARG  11           HG1      ARG  11  23.190  17.725  -4.848
   75    HD2  ARG  11           HD2      ARG  11  24.978  16.553  -4.072
   76    HD3  ARG  11           HD1      ARG  11  23.932  15.154  -4.299
   77    HE   ARG  11           HE       ARG  11  25.066  15.423  -6.738
   78   HH11  ARG  11          HH21      ARG  11  26.331  15.445  -3.524
   79   HH12  ARG  11          HH22      ARG  11  27.857  14.767  -3.978
   80   HH21  ARG  11          HH11      ARG  11  27.065  14.555  -7.339
   81   HH22  ARG  11          HH12      ARG  11  28.275  14.264  -6.132
   82    HA   PRO  12           HA       PRO  12  18.016  14.740  -8.606
   83    HB2  PRO  12           HB2      PRO  12  18.913  12.253  -9.379
   84    HB3  PRO  12           HB1      PRO  12  18.971  13.696 -10.414
   85    HG2  PRO  12           HG2      PRO  12  21.124  12.445  -8.782
   86    HG3  PRO  12           HG1      PRO  12  21.206  13.159 -10.403
   87    HD2  PRO  12           HD2      PRO  12  22.076  14.488  -8.204
   88    HD3  PRO  12           HD1      PRO  12  21.347  15.337  -9.585
   89    H    SER  13           HN       SER  13  16.519  13.430  -7.612
   90    HA   SER  13           HA       SER  13  17.072  12.588  -4.948
   91    HB2  SER  13           HB2      SER  13  14.741  11.758  -4.984
   92    HB3  SER  13           HB1      SER  13  14.858  13.404  -5.600
   93    HG   SER  13           HG       SER  13  15.126  11.289  -7.405
   94    H    LEU  14           HN       LEU  14  17.353  11.079  -8.018
   95    HA   LEU  14           HA       LEU  14  16.905   8.396  -7.292
   96    HB2  LEU  14           HB2      LEU  14  17.050   9.127  -9.632
   97    HB3  LEU  14           HB1      LEU  14  18.750   9.532  -9.415
   98    HG   LEU  14           HG       LEU  14  19.266   7.173  -8.951
   99   HD11  LEU  14          HD11      LEU  14  17.277   5.564  -9.570
  100   HD12  LEU  14          HD12      LEU  14  16.276   6.936  -9.096
  101   HD13  LEU  14          HD13      LEU  14  17.395   6.215  -7.935
  102   HD21  LEU  14          HD21      LEU  14  18.759   6.285 -11.213
  103   HD22  LEU  14          HD22      LEU  14  19.303   7.958 -11.284
  104   HD23  LEU  14          HD23      LEU  14  17.587   7.585 -11.444
  105    H    THR  15           HN       THR  15  19.845  10.393  -7.249
  106    HA   THR  15           HA       THR  15  21.080   8.401  -5.446
  107    HB   THR  15           HB       THR  15  23.247   8.776  -6.500
  108    HG1  THR  15           HG1      THR  15  23.532  10.344  -7.860
  109   HG21  THR  15          HG21      THR  15  21.495   7.099  -7.416
  110   HG22  THR  15          HG22      THR  15  22.889   7.482  -8.429
  111   HG23  THR  15          HG23      THR  15  21.329   8.237  -8.752
  112    H    SER  16           HN       SER  16  22.750   9.262  -4.081
  113    HA   SER  16           HA       SER  16  23.017  12.124  -3.797
  114    HB2  SER  16           HB2      SER  16  22.159  12.109  -1.440
  115    HB3  SER  16           HB1      SER  16  20.910  11.850  -2.656
  116    HG   SER  16           HG       SER  16  20.683  10.307  -1.046
  117    H    ASP  17           HN       ASP  17  24.531  12.677  -2.060
  118    HA   ASP  17           HA       ASP  17  26.801  10.971  -2.053
  119    HB2  ASP  17           HB2      ASP  17  26.044  13.494  -0.603
  120    HB3  ASP  17           HB1      ASP  17  27.534  12.649  -0.214
  121    H    GLY  18           HN       GLY  18  27.586   9.591  -0.513
  122    HA2  GLY  18           HA2      GLY  18  26.008   9.263   1.970
  123    HA3  GLY  18           HA1      GLY  18  26.498   7.869   1.015
  124    H    ALA  19           HN       ALA  19  27.185   8.907   3.812
  125    HA   ALA  19           HA       ALA  19  29.929   9.640   3.805
  126    HB1  ALA  19           HB1      ALA  19  28.986   8.160   6.164
  127    HB2  ALA  19           HB2      ALA  19  27.954   9.514   5.707
  128    HB3  ALA  19           HB3      ALA  19  29.663   9.785   6.049
  129    H    GLU  20           HN       GLU  20  31.769   8.431   3.937
  130    HA   GLU  20           HA       GLU  20  31.509   5.503   4.056
  131    HB2  GLU  20           HB2      GLU  20  32.970   7.054   1.911
  132    HB3  GLU  20           HB1      GLU  20  33.174   5.326   2.195
  133    HG2  GLU  20           HG2      GLU  20  30.790   4.940   1.775
  134    HG3  GLU  20           HG1      GLU  20  30.528   6.672   1.570
  135    H    VAL  21           HN       VAL  21  32.895   8.263   5.189
  136    HA   VAL  21           HA       VAL  21  35.598   7.493   5.555
  137    HB   VAL  21           HB       VAL  21  35.643   9.268   7.259
  138   HG11  VAL  21          HG11      VAL  21  34.729   9.525   4.515
  139   HG12  VAL  21          HG12      VAL  21  35.872  10.528   5.406
  140   HG13  VAL  21          HG13      VAL  21  34.144  10.863   5.504
  141   HG21  VAL  21          HG21      VAL  21  32.711   8.806   7.110
  142   HG22  VAL  21          HG22      VAL  21  33.214  10.490   7.233
  143   HG23  VAL  21          HG23      VAL  21  33.699   9.330   8.472
  144    H    GLU  22           HN       GLU  22  32.680   7.048   7.511
  145    HA   GLU  22           HA       GLU  22  33.966   6.023   9.812
  146    HB2  GLU  22           HB2      GLU  22  31.169   5.667   8.723
  147    HB3  GLU  22           HB1      GLU  22  31.678   5.104  10.314
  148    HG2  GLU  22           HG2      GLU  22  32.252   7.374  10.981
  149    HG3  GLU  22           HG1      GLU  22  31.899   7.974   9.362
  150    H    LEU  23           HN       LEU  23  32.539   4.450   6.973
  151    HA   LEU  23           HA       LEU  23  33.841   1.922   7.802
  152    HB2  LEU  23           HB2      LEU  23  31.370   2.326   6.097
  153    HB3  LEU  23           HB1      LEU  23  32.082   0.771   6.526
  154    HG   LEU  23           HG       LEU  23  31.012   2.805   8.514
  155   HD11  LEU  23          HD11      LEU  23  29.858   0.254   7.368
  156   HD12  LEU  23          HD12      LEU  23  29.143   1.869   7.362
  157   HD13  LEU  23          HD13      LEU  23  29.276   0.969   8.872
  158   HD21  LEU  23          HD21      LEU  23  32.512   1.616   9.801
  159   HD22  LEU  23          HD22      LEU  23  32.452   0.198   8.754
  160   HD23  LEU  23          HD23      LEU  23  31.143   0.511   9.891
  161    H    SER  24           HN       SER  24  35.429   1.232   6.537
  162    HA   SER  24           HA       SER  24  35.694   0.801   3.939
  163    HB2  SER  24           HB2      SER  24  35.870   3.767   4.346
  164    HB3  SER  24           HB1      SER  24  36.910   3.011   3.150
  165    HG   SER  24           HG       SER  24  34.163   3.343   3.179
  166    H    ALA  25           HN       ALA  25  36.845   0.763   6.781
  167    HA   ALA  25           HA       ALA  25  39.441   1.552   6.959
  168    HB1  ALA  25           HB1      ALA  25  39.405  -1.093   7.968
  169    HB2  ALA  25           HB2      ALA  25  37.800  -0.415   8.240
  170    HB3  ALA  25           HB3      ALA  25  39.226   0.413   8.866
  171    HA   PRO  26           HA       PRO  26  40.920  -2.538   4.696
  172    HB2  PRO  26           HB2      PRO  26  38.677  -2.707   2.732
  173    HB3  PRO  26           HB1      PRO  26  39.601  -4.011   3.501
  174    HG2  PRO  26           HG2      PRO  26  37.124  -3.461   4.266
  175    HG3  PRO  26           HG1      PRO  26  38.367  -3.913   5.446
  176    HD2  PRO  26           HD2      PRO  26  37.219  -1.208   4.868
  177    HD3  PRO  26           HD1      PRO  26  37.747  -1.895   6.420
  178    H    VAL  27           HN       VAL  27  38.932  -0.154   2.966
  179    HA   VAL  27           HA       VAL  27  40.625   0.100   0.693
  180    HB   VAL  27           HB       VAL  27  38.519   1.925   1.853
  181   HG11  VAL  27          HG11      VAL  27  40.316   2.169  -0.540
  182   HG12  VAL  27          HG12      VAL  27  39.808   3.413   0.600
  183   HG13  VAL  27          HG13      VAL  27  38.678   2.818  -0.614
  184   HG21  VAL  27          HG21      VAL  27  37.925  -0.373   0.885
  185   HG22  VAL  27          HG22      VAL  27  38.462   0.263  -0.668
  186   HG23  VAL  27          HG23      VAL  27  37.103   1.013   0.171
  187    H    LEU  28           HN       LEU  28  40.345   1.864   3.759
  188    HA   LEU  28           HA       LEU  28  42.214   3.882   3.089
  189    HB2  LEU  28           HB2      LEU  28  41.068   2.922   5.680
  190    HB3  LEU  28           HB1      LEU  28  42.471   3.990   5.711
  191    HG   LEU  28           HG       LEU  28  41.202   5.585   4.227
  192   HD11  LEU  28          HD11      LEU  28  38.767   5.301   4.030
  193   HD12  LEU  28          HD12      LEU  28  38.864   3.767   4.889
  194   HD13  LEU  28          HD13      LEU  28  39.595   3.929   3.293
  195   HD21  LEU  28          HD21      LEU  28  40.664   4.906   7.025
  196   HD22  LEU  28          HD22      LEU  28  39.348   5.805   6.267
  197   HD23  LEU  28          HD23      LEU  28  40.976   6.476   6.290
  198    H    GLN  29           HN       GLN  29  42.638   0.744   4.651
  199    HA   GLN  29           HA       GLN  29  45.363   1.048   5.329
  200    HB2  GLN  29           HB2      GLN  29  43.728  -1.411   4.705
  201    HB3  GLN  29           HB1      GLN  29  45.372  -1.460   5.335
  202    HG2  GLN  29           HG2      GLN  29  44.674  -0.176   7.312
  203    HG3  GLN  29           HG1      GLN  29  43.033  -0.070   6.675
  204   HE21  GLN  29          HE21      GLN  29  42.903  -1.244   9.030
  205   HE22  GLN  29          HE22      GLN  29  42.878  -2.938   8.949
  206    H    GLU  30           HN       GLU  30  43.792  -0.150   2.368
  207    HA   GLU  30           HA       GLU  30  46.196  -0.963   1.069
  208    HB2  GLU  30           HB2      GLU  30  43.953  -1.729   0.377
  209    HB3  GLU  30           HB1      GLU  30  43.550  -0.085  -0.120
  210    HG2  GLU  30           HG2      GLU  30  44.206  -1.285  -2.098
  211    HG3  GLU  30           HG1      GLU  30  45.530  -0.188  -1.716
  212    H    ILE  31           HN       ILE  31  44.325   2.096   1.091
  213    HA   ILE  31           HA       ILE  31  45.902   3.419  -0.867
  214    HB   ILE  31           HB       ILE  31  44.252   4.515   1.428
  215   HG12  ILE  31          HG12      ILE  31  43.701   4.542  -1.551
  216   HG13  ILE  31          HG11      ILE  31  43.111   3.267  -0.486
  217   HG21  ILE  31          HG21      ILE  31  45.792   6.244   0.946
  218   HG22  ILE  31          HG22      ILE  31  44.388   6.639  -0.044
  219   HG23  ILE  31          HG23      ILE  31  45.799   5.876  -0.778
  220   HD11  ILE  31          HD11      ILE  31  41.937   4.953   0.882
  221   HD12  ILE  31          HD12      ILE  31  41.406   5.030  -0.800
  222   HD13  ILE  31          HD13      ILE  31  42.538   6.230  -0.175
  223    H    TYR  32           HN       TYR  32  46.093   3.203   2.680
  224    HA   TYR  32           HA       TYR  32  48.271   4.945   3.024
  225    HB2  TYR  32           HB2      TYR  32  46.974   4.169   4.935
  226    HB3  TYR  32           HB1      TYR  32  47.465   2.503   4.624
  227    HD1  TYR  32           HD1      TYR  32  48.783   5.887   5.512
  228    HD2  TYR  32           HD2      TYR  32  49.524   1.658   5.401
  229    HE1  TYR  32           HE1      TYR  32  50.859   6.215   6.830
  230    HE2  TYR  32           HE2      TYR  32  51.601   1.985   6.719
  231    HH   TYR  32           HH       TYR  32  52.288   4.500   8.500
  232    H    LEU  33           HN       LEU  33  48.175   1.417   2.480
  233    HA   LEU  33           HA       LEU  33  50.976   1.037   2.584
  234    HB2  LEU  33           HB2      LEU  33  48.778  -0.538   1.240
  235    HB3  LEU  33           HB1      LEU  33  50.456  -1.070   1.257
  236    HG   LEU  33           HG       LEU  33  48.865  -0.418   3.759
  237   HD11  LEU  33          HD11      LEU  33  48.817  -2.942   4.008
  238   HD12  LEU  33          HD12      LEU  33  49.370  -3.045   2.336
  239   HD13  LEU  33          HD13      LEU  33  47.812  -2.311   2.703
  240   HD21  LEU  33          HD21      LEU  33  50.927  -2.260   4.287
  241   HD22  LEU  33          HD22      LEU  33  50.915  -0.553   4.728
  242   HD23  LEU  33          HD23      LEU  33  51.664  -1.069   3.219
  243    H    SER  34           HN       SER  34  48.780   1.740  -0.123
  244    HA   SER  34           HA       SER  34  50.769   1.526  -2.145
  245    HB2  SER  34           HB2      SER  34  49.171   2.764  -3.561
  246    HB3  SER  34           HB1      SER  34  48.390   1.443  -2.697
  247    HG   SER  34           HG       SER  34  47.095   3.158  -2.340
  248    H    GLY  35           HN       GLY  35  49.663   4.192  -0.081
  249    HA2  GLY  35           HA2      GLY  35  51.047   6.260  -1.433
  250    HA3  GLY  35           HA1      GLY  35  50.499   6.307   0.238
  251    H    LEU  36           HN       LEU  36  52.026   4.042   1.177
  252    HA   LEU  36           HA       LEU  36  54.427   5.346   1.837
  253    HB2  LEU  36           HB2      LEU  36  53.456   3.630   3.279
  254    HB3  LEU  36           HB1      LEU  36  53.722   2.404   2.042
  255    HG   LEU  36           HG       LEU  36  56.159   2.752   2.212
  256   HD11  LEU  36          HD11      LEU  36  56.754   4.172   4.397
  257   HD12  LEU  36          HD12      LEU  36  55.249   4.991   3.980
  258   HD13  LEU  36          HD13      LEU  36  56.578   4.952   2.824
  259   HD21  LEU  36          HD21      LEU  36  56.390   1.481   4.135
  260   HD22  LEU  36          HD22      LEU  36  54.645   1.345   3.915
  261   HD23  LEU  36          HD23      LEU  36  55.299   2.507   5.068
  262    H    ARG  37           HN       ARG  37  53.691   2.852  -0.566
  263    HA   ARG  37           HA       ARG  37  56.359   2.428  -1.431
  264    HB2  ARG  37           HB2      ARG  37  54.477   0.911  -1.982
  265    HB3  ARG  37           HB1      ARG  37  53.788   2.160  -3.018
  266    HG2  ARG  37           HG2      ARG  37  55.885   2.135  -4.386
  267    HG3  ARG  37           HG1      ARG  37  56.489   0.822  -3.379
  268    HD2  ARG  37           HD2      ARG  37  53.897   0.700  -4.933
  269    HD3  ARG  37           HD1      ARG  37  55.427   0.058  -5.527
  270    HE   ARG  37           HE       ARG  37  53.739  -1.099  -3.468
  271   HH11  ARG  37          HH21      ARG  37  56.903  -0.865  -4.868
  272   HH12  ARG  37          HH22      ARG  37  57.427  -2.409  -4.283
  273   HH21  ARG  37          HH11      ARG  37  54.433  -3.120  -2.684
  274   HH22  ARG  37          HH12      ARG  37  56.029  -3.684  -3.048
  275    H    SER  38           HN       SER  38  53.818   4.666  -2.514
  276    HA   SER  38           HA       SER  38  55.346   5.835  -4.642
  277    HB2  SER  38           HB2      SER  38  52.775   5.820  -4.315
  278    HB3  SER  38           HB1      SER  38  53.049   7.175  -3.226
  279    HG   SER  38           HG       SER  38  53.763   8.378  -4.878
  280    H    TRP  39           HN       TRP  39  54.801   6.580  -1.254
  281    HA   TRP  39           HA       TRP  39  55.813   9.189  -1.170
  282    HB2  TRP  39           HB2      TRP  39  55.691   7.005   0.885
  283    HB3  TRP  39           HB1      TRP  39  56.333   8.598   1.253
  284    HD1  TRP  39           HD1      TRP  39  53.588   8.948  -1.217
  285    HE1  TRP  39           HE1      TRP  39  51.422   9.691  -0.046
  286    HE3  TRP  39           HE3      TRP  39  54.886   8.132   3.672
  287    HZ2  TRP  39           HZ2      TRP  39  50.366   9.898   2.599
  288    HZ3  TRP  39           HZ3      TRP  39  53.267   8.611   5.494
  289    HH2  TRP  39           HH2      TRP  39  51.012   9.493   4.958
  290    H    LYS  40           HN       LYS  40  57.508   6.085  -1.153
  291    HA   LYS  40           HA       LYS  40  59.986   7.011  -0.240
  292    HB2  LYS  40           HB2      LYS  40  59.460   4.615  -0.650
  293    HB3  LYS  40           HB1      LYS  40  59.538   4.930  -2.384
  294    HG2  LYS  40           HG2      LYS  40  61.875   5.668  -2.169
  295    HG3  LYS  40           HG1      LYS  40  61.804   5.414  -0.425
  296    HD2  LYS  40           HD2      LYS  40  61.371   3.011  -0.791
  297    HD3  LYS  40           HD1      LYS  40  61.438   3.261  -2.534
  298    HE2  LYS  40           HE2      LYS  40  63.765   4.031  -2.344
  299    HE3  LYS  40           HE1      LYS  40  63.704   3.816  -0.594
  300    HZ1  LYS  40           HZ1      LYS  40  63.088   1.582  -2.424
  301    HZ2  LYS  40           HZ2      LYS  40  63.579   1.528  -0.796
  302    HZ3  LYS  40           HZ3      LYS  40  64.692   1.951  -2.009
  303    H    ARG  41           HN       ARG  41  58.610   7.075  -3.558
  304    HA   ARG  41           HA       ARG  41  60.938   8.013  -4.818
  305    HB2  ARG  41           HB2      ARG  41  58.011   8.405  -5.447
  306    HB3  ARG  41           HB1      ARG  41  59.309   8.940  -6.512
  307    HG2  ARG  41           HG2      ARG  41  60.158   6.638  -6.667
  308    HG3  ARG  41           HG1      ARG  41  58.893   6.088  -5.569
  309    HD2  ARG  41           HD2      ARG  41  57.177   6.857  -7.164
  310    HD3  ARG  41           HD1      ARG  41  58.444   7.377  -8.271
  311    HE   ARG  41           HE       ARG  41  57.650   4.618  -7.706
  312   HH11  ARG  41          HH21      ARG  41  59.941   6.813  -9.091
  313   HH12  ARG  41          HH22      ARG  41  60.590   5.651 -10.199
  314   HH21  ARG  41          HH11      ARG  41  58.532   3.078  -9.135
  315   HH22  ARG  41          HH12      ARG  41  59.811   3.538 -10.211
  316    H    HIS  42           HN       HIS  42  58.316   9.593  -3.232
  317    HA   HIS  42           HA       HIS  42  59.151  12.316  -3.746
  318    HB2  HIS  42           HB2      HIS  42  57.046  11.100  -1.958
  319    HB3  HIS  42           HB1      HIS  42  57.360  12.835  -2.003
  320    HD2  HIS  42           HD2      HIS  42  56.251  14.151  -4.202
  321    HE1  HIS  42           HE1      HIS  42  54.917  10.720  -6.269
  322    HE2  HIS  42           HE2      HIS  42  54.895  13.259  -6.248
  323    H    LEU  43           HN       LEU  43  59.519  10.006  -1.179
  324    HA   LEU  43           HA       LEU  43  60.692  11.821   0.742
  325    HB2  LEU  43           HB2      LEU  43  59.254   9.697   1.196
  326    HB3  LEU  43           HB1      LEU  43  60.758   8.829   0.934
  327    HG   LEU  43           HG       LEU  43  61.832  10.274   2.689
  328   HD11  LEU  43          HD11      LEU  43  60.719  12.141   3.273
  329   HD12  LEU  43          HD12      LEU  43  59.629  11.093   4.176
  330   HD13  LEU  43          HD13      LEU  43  59.221  11.572   2.531
  331   HD21  LEU  43          HD21      LEU  43  61.086   8.058   3.304
  332   HD22  LEU  43          HD22      LEU  43  59.416   8.603   3.438
  333   HD23  LEU  43          HD23      LEU  43  60.622   9.159   4.601
  334    H    SER  44           HN       SER  44  61.868  10.286  -2.003
  335    HA   SER  44           HA       SER  44  64.304   9.194  -1.222
  336    HB2  SER  44           HB2      SER  44  63.628   8.857  -3.463
  337    HB3  SER  44           HB1      SER  44  63.443  10.586  -3.749
  338    HG   SER  44           HG       SER  44  65.582  10.807  -3.892
  339    H    ARG  45           HN       ARG  45  63.631  12.616  -2.134
  340    HA   ARG  45           HA       ARG  45  66.295  13.469  -1.960
  341    HB2  ARG  45           HB2      ARG  45  64.410  14.793  -2.912
  342    HB3  ARG  45           HB1      ARG  45  63.807  15.046  -1.277
  343    HG2  ARG  45           HG2      ARG  45  65.877  16.182  -0.648
  344    HG3  ARG  45           HG1      ARG  45  66.547  15.884  -2.253
  345    HD2  ARG  45           HD2      ARG  45  64.626  17.163  -3.229
  346    HD3  ARG  45           HD1      ARG  45  64.111  17.565  -1.593
  347    HE   ARG  45           HE       ARG  45  66.859  18.269  -2.122
  348   HH11  ARG  45          HH21      ARG  45  63.541  19.191  -2.407
  349   HH12  ARG  45          HH22      ARG  45  63.873  20.893  -2.456
  350   HH21  ARG  45          HH11      ARG  45  67.306  20.486  -2.141
  351   HH22  ARG  45          HH12      ARG  45  66.013  21.627  -2.290
  352    H    PHE  46           HN       PHE  46  63.734  13.586   0.520
  353    HA   PHE  46           HA       PHE  46  65.422  14.569   2.582
  354    HB2  PHE  46           HB2      PHE  46  62.755  13.166   2.671
  355    HB3  PHE  46           HB1      PHE  46  63.560  13.822   4.094
  356    HD1  PHE  46           HD1      PHE  46  63.968  16.255   4.309
  357    HD2  PHE  46           HD2      PHE  46  61.787  14.607   0.994
  358    HE1  PHE  46           HE1      PHE  46  63.133  18.516   3.734
  359    HE2  PHE  46           HE2      PHE  46  60.944  16.870   0.426
  360    HZ   PHE  46           HZ       PHE  46  61.619  18.824   1.797
  361    H    TRP  47           HN       TRP  47  64.445  11.311   1.642
  362    HA   TRP  47           HA       TRP  47  65.486   9.947   3.879
  363    HB2  TRP  47           HB2      TRP  47  63.927   8.808   2.502
  364    HB3  TRP  47           HB1      TRP  47  64.879   9.100   1.051
  365    HD1  TRP  47           HD1      TRP  47  65.412   7.351   4.466
  366    HE1  TRP  47           HE1      TRP  47  66.747   5.188   4.044
  367    HE3  TRP  47           HE3      TRP  47  66.110   7.713  -0.582
  368    HZ2  TRP  47           HZ2      TRP  47  67.949   3.792   1.860
  369    HZ3  TRP  47           HZ3      TRP  47  67.354   5.949  -1.805
  370    HH2  TRP  47           HH2      TRP  47  68.273   3.991  -0.591
  371    H    ASN  48           HN       ASN  48  66.957  10.860   0.786
  372    HA   ASN  48           HA       ASN  48  69.522   9.714   1.664
  373    HB2  ASN  48           HB2      ASN  48  68.512  10.624  -1.024
  374    HB3  ASN  48           HB1      ASN  48  70.200  10.216  -0.727
  375   HD21  ASN  48          HD21      ASN  48  69.295   8.050   1.279
  376   HD22  ASN  48          HD22      ASN  48  68.774   6.777   0.291
  377    H    ASP  49           HN       ASP  49  68.138  12.442   2.373
  378    HA   ASP  49           HA       ASP  49  69.841  14.463   1.343
  379    HB2  ASP  49           HB2      ASP  49  69.024  15.856   3.200
  380    HB3  ASP  49           HB1      ASP  49  67.703  15.036   2.375
  381    H    PHE  50           HN       PHE  50  70.088  12.314   4.120
  382    HA   PHE  50           HA       PHE  50  72.877  13.197   4.468
  383    HB2  PHE  50           HB2      PHE  50  71.587  14.352   6.196
  384    HB3  PHE  50           HB1      PHE  50  70.881  12.822   6.716
  385    HD1  PHE  50           HD1      PHE  50  74.105  14.660   6.350
  386    HD2  PHE  50           HD2      PHE  50  72.057  11.370   8.205
  387    HE1  PHE  50           HE1      PHE  50  76.072  14.255   7.799
  388    HE2  PHE  50           HE2      PHE  50  74.032  10.962   9.649
  389    HZ   PHE  50           HZ       PHE  50  76.038  12.408   9.448