*HEADER    TRANSFERASE                             06-JUN-11   2LE3              
*TITLE     N-TERMINAL REGULATORY SEGMENT OF CARNITINE PALMITOYLTRANSFERASE 1A    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CARNITINE O-PALMITOYLTRANSFERASE 1, LIVER ISOFORM;         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: CYTOPLASMIC DOMAIN RESIDUES 1-42;                          
*COMPND   5 SYNONYM: CPT1-L, CARNITINE O-PALMITOYLTRANSFERASE I, LIVER ISOFORM,  
*COMPND   6 CPT I, CPTI-L, CARNITINE PALMITOYLTRANSFERASE 1A;                    
*COMPND   7 EC: 2.3.1.21;                                                        
*COMPND   8 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: CPT1A, CPT1;                                                   
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET44                                      
*KEYWDS    MEMBRANE PROTEIN, AMPHIPHILIC STRUCTURE, MEMBRANE-PROTEIN             
*KEYWDS   2 INTERACTION, STRUCTURAL SWITCH, TRANSFERASE                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.S.ULMER, J.N.RAO                                                    
*REVDAT   1   19-OCT-11 2LE3    0                                                


DATA SEQUENCE MAEAHQAVAF QFTVTPDGID LRLSHEALRQ IYLSGLHSWK KK

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
    
    9    ALA     HN     9    ALA      N     12.839       1.000  1.00
   10    PHE     HN    10    PHE      N     12.975       1.000  1.00
   11    GLN     HN    11    GLN      N     19.984       1.000  1.00
   12    PHE     HN    12    PHE      N     14.058       1.000  1.00
   13    THR     HN    13    THR      N     20.984       1.000  1.00
   14    VAL     HN    14    VAL      N     11.097       1.000  1.00
   15    THR     HN    15    THR      N      1.577       1.000  1.00
   17    ASP     HN    17    ASP      N    -10.440       1.000  1.00
   18    GLY     HN    18    GLY      N      6.009       1.000  1.00
   19    ILE     HN    19    ILE      N     15.767       1.000  1.00
   20    ASP     HN    20    ASP      N     23.180       1.000  1.00
   21    LEU     HN    21    LEU      N     17.208       1.000  1.00
   22    ARG     HN    22    ARG      N     25.686       1.000  1.00
   23    LEU     HN    23    LEU      N     16.275       1.000  1.00
   24    SER     HN    24    SER      N     19.717       1.000  1.00
   25    HIS     HN    25    HIS      N    -13.162       1.000  1.00
   26    GLU     HN    26    GLU      N    -11.733       1.000  1.00
   27    ALA     HN    27    ALA      N    -14.042       1.000  1.00
   28    LEU     HN    28    LEU      N    -12.342       1.000  1.00
   29    ARG     HN    29    ARG      N    -13.727       1.000  1.00
   30    GLN     HN    30    GLN      N    -11.593       1.000  1.00
   31    ILE     HN    31    ILE      N    -12.809       1.000  1.00
   32    TYR     HN    32    TYR      N    -13.547       1.000  1.00
   33    LEU     HN    33    LEU      N    -12.818       1.000  1.00
   34    SER     HN    34    SER      N    -14.562       1.000  1.00
   35    GLY     HN    35    GLY      N     -8.839       1.000  1.00
   36    LEU     HN    36    LEU      N    -10.630       1.000  1.00
   37    HIS     HN    37    HIS      N     -6.875       1.000  1.00
   38    SER     HN    38    SER      N     -7.098       1.000  1.00
   39    TRP     HN    39    TRP      N     -3.108       1.000  1.00

    9    SER      C     9    SER     CA     -2.320       0.200  5.00
   10    LYS      C    10    LYS     CA      0.550       0.200  5.00
   11    ALA      C    11    ALA     CA     -2.330       0.200  5.00
   12    LYS      C    12    LYS     CA     -0.130       0.200  5.00
   13    GLU      C    13    GLU     CA     -2.350       0.200  5.00
   14    GLY      C    14    GLY     CA     -2.170       0.200  5.00
   16    VAL      C    16    VAL     CA      1.950       0.200  5.00
   17    ALA      C    17    ALA     CA     -1.830       0.200  5.00
   18    ALA      C    18    ALA     CA     -1.620       0.200  5.00
   19    ALA      C    19    ALA     CA      2.190       0.200  5.00
   20    GLU      C    20    GLU     CA     -2.300       0.200  5.00
   21    LYS      C    21    LYS     CA      1.490       0.200  5.00
   22    THR      C    22    THR     CA     -2.100       0.200  5.00
   23    LYS      C    23    LYS     CA      1.250       0.200  5.00
   24    GLN      C    24    GLN     CA      0.530       0.200  5.00
   25    GLY      C    25    GLY     CA     -1.750       0.200  5.00
   26    VAL      C    26    VAL     CA      0.130       0.200  5.00
   27    ALA      C    27    ALA     CA     -0.390       0.200  5.00
   28    GLU      C    28    GLU     CA     -0.960       0.200  5.00
   29    ALA      C    29    ALA     CA      0.640       0.200  5.00
   30    ALA      C    30    ALA     CA     -1.980       0.200  5.00
   31    GLY      C    31    GLY     CA      1.260       0.200  5.00
   32    LYS      C    32    LYS     CA     -2.450       0.200  5.00
   33    THR      C    33    THR     CA      1.610       0.200  5.00
   34    LYS      C    34    LYS     CA     -1.880       0.200  5.00
   35    GLU      C    35    GLU     CA      0.300       0.200  5.00
   36    GLY      C    36    GLY     CA     -1.030       0.200  5.00
   37    VAL      C    37    VAL     CA     -0.070       0.200  5.00
   38    LEU      C    38    LEU     CA      0.080       0.200  5.00
   39    TYR      C    39    TYR     CA     -1.450       0.200  5.00

    9    SER      C    10    LYS      N      1.564       0.125  8.00
   10    LYS      C    11    ALA      N     -1.090       0.125  8.00
   11    ALA      C    12    LYS      N      1.910       0.125  8.00
   12    LYS      C    13    GLU      N     -0.820       0.125  8.00
   13    GLU      C    14    GLY      N      1.788       0.125  8.00
   14    GLY      C    15    VAL      N      0.262       0.125  8.00
   16    THR      C    17    ALA      N      1.770       0.125  8.00
   17    ALA      C    18    ALA      N     -0.732       0.125  8.00
   18    ALA      C    19    ALA      N      0.130       0.125  8.00
   19    ALA      C    20    GLU      N     -1.230       0.125  8.00
   20    GLU      C    21    LYS      N      1.140       0.125  8.00
   21    LYS      C    22    THR      N     -1.050       0.125  8.00
   22    THR      C    23    LYS      N      1.814       0.125  8.00
   23    LYS      C    24    GLN      N     -1.146       0.125  8.00
   24    GLN      C    25    GLY      N      1.628       0.125  8.00
   25    GLY      C    26    VAL      N      0.434       0.125  8.00
   26    VAL      C    27    ALA      N      0.038       0.125  8.00
   27    ALA      C    28    GLU      N      1.688       0.125  8.00
   28    GLU      C    29    ALA      N     -0.856       0.125  8.00
   29    ALA      C    30    ALA      N      2.324       0.125  8.00
   30    ALA      C    31    GLY      N     -1.364       0.125  8.00
   31    GLY      C    32    LYS      N      2.410       0.125  8.00
   32    LYS      C    33    THR      N     -1.092       0.125  8.00
   33    THR      C    34    LYS      N      1.386       0.125  8.00
   34    LYS      C    35    GLU      N      0.110       0.125  8.00
   35    GLU      C    36    GLY      N      0.546       0.125  8.00
   36    GLY      C    37    VAL      N      0.988       0.125  8.00
   37    VAL      C    38    LEU      N     -0.616       0.125  8.00
   38    LEU      C    39    TYR      N      1.314       0.125  8.00


! HN-HN from NNH NOESY 2H/13C/15N, 120 ms

assign (resid    9 and name HN  ) (resid   10 and name HN  )   2.5  0.7  0.4 ! A 1 2.5
assign (resid   10 and name HN  ) (resid    9 and name HN  )   2.5  0.7  0.4 ! F 1 2.4
assign (resid   10 and name HN  ) (resid   11 and name HN  )   4.0  2.2  1.0 ! F 1 3.7
assign (resid   11 and name HN  ) (resid   12 and name HN  )   4.0  2.2  2.0 ! Q 1 5.1
assign (resid   11 and name HN  ) (resid   10 and name HN  )   4.0  2.2  1.0 ! Q 1 3.9
assign (resid   11 and name HN  ) (resid   22 and name HN  )   2.5  0.7  0.4 ! Q 1 2.6
assign (resid   12 and name HN  ) (resid   11 and name HN  )   4.0  2.2  2.0 ! F 1 6.2
assign (resid   13 and name HN  ) (resid   12 and name HN  )   4.0  2.2  1.0 ! T 1 4.0
assign (resid   13 and name HN  ) (resid   14 and name HN  )   4.0  2.2  1.0 ! T 1 3.7
assign (resid   13 and name HN  ) (resid   20 and name HN  )   2.5  0.7  0.4 ! T 1 2.6
!assign (resid   14 and name HN  ) (resid   13 and name HN  )   2.5  0.7  0.4 ! V 1 2.7 overlapped
assign (resid   15 and name HN  ) (resid   18 and name HN  )   2.5  0.7  0.4 ! T 1 2.7
assign (resid   15 and name HN  ) (resid   17 and name HN  )   4.0  2.2  1.0 ! T 1 3.7
assign (resid   17 and name HN  ) (resid   18 and name HN  )   2.5  0.7  0.4 ! D 1 2.1
assign (resid   18 and name HN  ) (resid   15 and name HN  )   2.5  0.7  0.4 ! G 1 2.8
assign (resid   18 and name HN  ) (resid   17 and name HN  )   2.5  0.7  0.4 ! G 1 2.2
assign (resid   19 and name HN  ) (resid   18 and name HN  )   4.0  2.2  1.0 ! I 1 3.4 
assign (resid   20 and name HN  ) (resid   19 and name HN  )   4.0  2.2  1.0 ! D 1 3.9
assign (resid   20 and name HN  ) (resid   21 and name HN  )   4.0  2.2  1.0 ! D 1 4.0
assign (resid   20 and name HN  ) (resid   13 and name HN  )   2.5  0.7  0.4 ! D 1 2.6
assign (resid   22 and name HN  ) (resid   11 and name HN  )   2.5  0.7  0.4 ! R 1 2.3
assign (resid   22 and name HN  ) (resid   21 and name HN  )   4.0  2.2  1.0 ! R 1 3.6
assign (resid   24 and name HN  ) (resid   27 and name HN  )   4.0  2.2  1.0 ! S 1 3.4 
assign (resid   25 and name HN  ) (resid   24 and name HN  )   4.0  2.2  1.0 ! H 1 3.5 
assign (resid   25 and name HN  ) (resid   28 and name HN  )   4.0  2.2  1.0 ! H 1 3.5 
assign (resid   26 and name HN  ) (resid   27 and name HN  )   2.5  0.7  0.4 ! E 1 2.6
assign (resid   26 and name HN  ) (resid   24 and name HN  )   4.0  2.2  1.0 ! E 1 3.6
assign (resid   26 and name HN  ) (resid   28 and name HN  )   4.0  2.2  1.0 ! E 1 3.2 
assign (resid   27 and name HN  ) (resid   26 and name HN  )   2.5  0.7  0.4 ! A 1 2.6
assign (resid   27 and name HN  ) (resid   28 and name HN  )   2.5  0.7  0.4 ! A 1 2.7
assign (resid   27 and name HN  ) (resid   24 and name HN  )   4.0  2.2  1.0 ! A 1 3.7
assign (resid   28 and name HN  ) (resid   25 and name HN  )   4.0  2.2  1.0 ! L 1 3.8
assign (resid   28 and name HN  ) (resid   27 and name HN  )   3.0  1.2  0.5 ! L 1 3.1
assign (resid   28 and name HN  ) (resid   29 and name HN  )   2.5  0.7  0.4 ! L 1 2.9
assign (resid   29 and name HN  ) (resid   28 and name HN  )   2.5  0.7  0.4 ! R 1 2.3
assign (resid   29 and name HN  ) (resid   30 and name HN  )   2.5  0.7  0.4 ! R 1 2.3
assign (resid   30 and name HN  ) (resid   31 and name HN  )   2.5  0.7  0.4 ! Q 1 2.5
assign (resid   30 and name HN  ) (resid   32 and name HN  )   4.0  2.2  1.0 ! Q 1 3.2 
assign (resid   30 and name HN  ) (resid   29 and name HN  )   2.5  0.7  0.4 ! Q 1 2.5
assign (resid   30 and name HN  ) (resid   27 and name HN  )   4.0  2.2  1.0 ! Q 1 3.2 
assign (resid   31 and name HN  ) (resid   32 and name HN  )   2.5  0.7  0.4 ! I 1 2.3
assign (resid   31 and name HN  ) (resid   30 and name HN  )   2.5  0.7  0.4 ! I 1 2.3
assign (resid   31 and name HN  ) (resid   33 and name HN  )   4.0  2.2  1.0 ! I 1 3.7
assign (resid   32 and name HN  ) (resid   30 and name HN  )   4.0  2.2  1.0 ! Y 1 3.1 
assign (resid   32 and name HN  ) (resid   33 and name HN  )   2.5  0.7  0.4 ! Y 1 2.6
assign (resid   32 and name HN  ) (resid   34 and name HN  )   4.0  2.2  1.0 ! Y 1 3.5 
assign (resid   32 and name HN  ) (resid   31 and name HN  )   2.5  0.7  0.4 ! Y 1 2.4
assign (resid   33 and name HN  ) (resid   34 and name HN  )   2.5  0.7  0.4 ! L 1 2.7
assign (resid   33 and name HN  ) (resid   31 and name HN  )   4.0  2.2  1.0 ! L 1 3.5
assign (resid   33 and name HN  ) (resid   35 and name HN  )   4.0  2.2  1.0 ! L 1 3.8
assign (resid   34 and name HN  ) (resid   36 and name HN  )   4.0  2.2  1.0 ! S 1 3.5
assign (resid   34 and name HN  ) (resid   35 and name HN  )   2.5  0.7  0.4 ! S 1 2.4
assign (resid   34 and name HN  ) (resid   33 and name HN  )   2.5  0.7  0.4 ! S 1 2.6
assign (resid   35 and name HN  ) (resid   34 and name HN  )   2.5  0.7  0.4 ! G 1 2.3
assign (resid   35 and name HN  ) (resid   36 and name HN  )   2.5  0.7  0.4 ! G 1 2.4
assign (resid   35 and name HN  ) (resid   33 and name HN  )   4.0  2.2  1.0 ! G 1 3.5 
assign (resid   35 and name HN  ) (resid   37 and name HN  )   4.0  2.2  1.0 ! G 1 3.3 
assign (resid   36 and name HN  ) (resid   33 and name HN  )   4.0  2.2  1.0 ! L 1 3.6
assign (resid   36 and name HN  ) (resid   37 and name HN  )   2.5  0.7  0.4 ! L 1 2.5
assign (resid   36 and name HN  ) (resid   35 and name HN  )   2.5  0.7  0.4 ! L 1 2.5
assign (resid   37 and name HN  ) (resid   36 and name HN  )   2.5  0.7  0.4 ! H 1 2.5
assign (resid   37 and name HN  ) (resid   38 and name HN  )   2.5  0.7  0.4 ! H 1 2.4
assign (resid   37 and name HN  ) (resid   39 and name HN  )   4.0  2.2  1.0 ! H 1 3.6
assign (resid   38 and name HN  ) (resid   37 and name HN  )   2.5  0.7  0.4 ! S 1 2.6
assign (resid   38 and name HN  ) (resid   39 and name HN  )   2.5  0.7  0.4 ! S 1 2.5
assign (resid   39 and name HN  ) (resid   38 and name HN  )   2.5  0.7  0.4 ! W 1 2.5


! 15N noesy, 13C/15N, 120 ms

! HN-HA, HA-HA NOEs

assign (resid   10 and name HN  ) (resid    8 and name HA  )   4.0  2.2  1.0 ! F 1 3.6
assign (resid   10 and name HN  ) (resid    9 and name HA  )   4.0  2.2  1.0 ! F 1 2.7    ! overlapping 2.5 to 4.0
assign (resid   10 and name HN  ) (resid   23 and name HA  )   4.0  2.2  1.0 ! F 1 3.8
assign (resid   10 and name HN  ) (resid   11 and name HA  )   4.0  2.2  1.0 ! F 1 2.5    ! overlapping 3.0 to 4.0      
assign (resid   11 and name HN  ) (resid   10 and name HA  )   2.5  0.7  0.4 ! Q 1 2.3
assign (resid   11 and name HN  ) (resid   23 and name HA  )   3.0  1.2  0.5 ! Q 1 3.2
assign (resid   12 and name HN  ) (resid   11 and name HA  )   2.5  0.7  0.4 ! F 1 2.3
assign (resid   13 and name HN  ) (resid   12 and name HA  )   2.5  0.7  0.4 ! T 1 2.3
assign (resid   13 and name HN  ) (resid   21 and name HA  )   3.0  1.2  0.5 ! T 1 3.4
assign (resid   14 and name HN  ) (resid   13 and name HA  )   2.5  0.7  0.4 ! V 1 2.2
assign (resid   15 and name HN  ) (resid   14 and name HA  )   2.5  0.7  0.4 ! T 1 2.3
assign (resid   15 and name HN  ) (resid   19 and name HA  )   3.0  1.2  0.5 ! T 1 3.0
assign (resid   18 and name HN  ) (resid   17 and name HA  )   3.0  1.2  0.5 ! G 1 3.3
assign (resid   19 and name HN  ) (resid   18 and name HA# )   3.0  1.2  0.5 ! I 1 3.1
assign (resid   19 and name HN  ) (resid   18 and name HA# )   2.5  0.7  0.4 ! I 1 2.8
assign (resid   20 and name HN  ) (resid   19 and name HA  )   2.5  0.7  0.4 ! D 1 2.6
assign (resid   20 and name HN  ) (resid   12 and name HA  )   4.0  2.2  1.0 ! D 1 3.8
assign (resid   20 and name HN  ) (resid   14 and name HA  )   3.0  1.2  0.5 ! D 1 3.4
assign (resid   21 and name HN  ) (resid   12 and name HA  )   4.0  2.2  1.0 ! L 1 3.7
assign (resid   21 and name HN  ) (resid   20 and name HA  )   2.5  0.7  0.4 ! L 1 2.3
assign (resid   22 and name HN  ) (resid   21 and name HA  )   2.5  0.7  0.4 ! R 1 2.4
assign (resid   22 and name HN  ) (resid   11 and name HA  )   4.0  2.2  1.0 ! R 1 4.0
assign (resid   22 and name HN  ) (resid   12 and name HA  )   3.0  1.2  0.5 ! R 1 3.5
assign (resid   23 and name HN  ) (resid   22 and name HA  )   2.5  0.7  0.4 ! L 1 2.6
assign (resid   24 and name HN  ) (resid   23 and name HA  )   2.5  0.7  0.4 ! S 1 2.5
assign (resid   25 and name HN  ) (resid   24 and name HA  )   3.0  1.2  0.5 ! H 1 3.3
assign (resid   26 and name HN  ) (resid   25 and name HA  )   4.0  2.2  1.0 ! E 1 3.5
assign (resid   27 and name HN  ) (resid   26 and name HA  )   4.0  2.2  1.0 ! A 1 3.9
assign (resid   28 and name HN  ) (resid   27 and name HA  )   4.0  2.2  1.0 ! L 1 2.9    ! overlapping 2.5 to 4.0
assign (resid   28 and name HN  ) (resid   25 and name HA  )   3.0  1.2  0.5 ! L 1 3.5
assign (resid   29 and name HN  ) (resid   28 and name HA  )   4.0  2.2  1.0 ! R 1 2.9    ! overlapping 2.5 to 4.0 
assign (resid   29 and name HN  ) (resid   26 and name HA  )   3.0  1.2  0.5 ! R 1 3.4
assign (resid   30 and name HN  ) (resid   29 and name HA  )   4.0  2.2  1.0 ! Q 1 3.7
assign (resid   31 and name HN  ) (resid   30 and name HA  )   3.0  1.2  0.5 ! I 1 3.1
assign (resid   32 and name HN  ) (resid   29 and name HA  )   3.0  1.2  0.5 ! Y 1 3.3
assign (resid   32 and name HN  ) (resid   31 and name HA  )   4.0  2.2  1.0 ! Y 1 3.7
assign (resid   33 and name HN  ) (resid   32 and name HA  )   4.0  2.2  1.0 ! L 1 3.6
assign (resid   33 and name HN  ) (resid   30 and name HA  )   4.0  2.2  1.0 ! L 1 3.6
assign (resid   34 and name HN  ) (resid   33 and name HA  )   3.0  1.2  0.5 ! S 1 3.1
assign (resid   34 and name HN  ) (resid   31 and name HA  )   3.0  1.2  0.5 ! S 1 3.1
assign (resid   35 and name HN  ) (resid   36 and name HA  )   4.0  2.2  1.0 ! G 1 3.0   ! overlapping 3.0 to 4.0
assign (resid   35 and name HN  ) (resid   34 and name HA  )   3.0  1.2  0.5 ! G 1 3.4
assign (resid   36 and name HN  ) (resid   35 and name HA# )   4.0  2.2  1.0 ! L 1 3.7
assign (resid   37 and name HN  ) (resid   36 and name HA  )   3.0  1.2  0.5 ! H 1 3.2
assign (resid   38 and name HN  ) (resid   36 and name HA  )   4.0  2.2  1.0 ! S 1 3.5


! to / from methyl 

assign (resid    9 and name HN  ) (resid    9 and name HB# )   2.5  0.7  0.9 ! A 1 2.6
assign (resid   10 and name HN  ) (resid    9 and name HB# )   2.5  0.7  0.9 ! F 1 2.7
assign (resid   27 and name HN  ) (resid   27 and name HB# )   2.5  0.7  0.9 ! A 1 2.7
assign (resid   28 and name HN  ) (resid   27 and name HB# )   2.5  0.7  0.9 ! L 1 2.7


! non methyl side-chains 

assign (resid    9 and name HN  ) (resid    9 and name HA  )   3.0  1.2  0.5 ! A 1 3.0
assign (resid   10 and name HN  ) (resid   10 and name HA  )   2.5  0.7  0.4 ! F 1 2.9
assign (resid   10 and name HN  ) (resid   10 and name HB# )   3.0  1.2  0.5 ! F 1 3.1
assign (resid   11 and name HN  ) (resid   11 and name HA  )   3.0  1.2  0.5 ! Q 1 3.0
assign (resid   11 and name HN  ) (resid   11 and name HB# )   3.0  1.2  0.5 ! Q 1 2.9
assign (resid   11 and name HN  ) (resid   10 and name HB# )   3.0  1.2  0.5 ! Q 1 3.3
assign (resid   12 and name HN  ) (resid   12 and name HB# )   3.0  1.2  0.5 ! F 1 3.2
assign (resid   12 and name HN  ) (resid   12 and name HA  )   3.0  1.2  0.5 ! F 1 3.2
assign (resid   12 and name HN  ) (resid   11 and name HB# )   3.0  1.2  0.5 ! F 1 3.3
assign (resid   13 and name HN  ) (resid   12 and name HB# )   3.0  1.2  0.5 ! T 1 3.4
assign (resid   13 and name HN  ) (resid   13 and name HA  )   3.0  1.2  0.5 ! T 1 3.0
assign (resid   13 and name HN  ) (resid   13 and name HB  )   3.0  1.2  0.5 ! T 1 2.9
assign (resid   14 and name HN  ) (resid   13 and name HB  )   3.0  1.2  0.5 ! V 1 3.1
assign (resid   14 and name HN  ) (resid   14 and name HB  )   2.5  0.7  0.4 ! V 1 2.6
assign (resid   14 and name HN  ) (resid   14 and name HA  )   2.5  0.7  0.4 ! V 1 2.2
assign (resid   15 and name HN  ) (resid   14 and name HB  )   4.0  2.2  1.0 ! T 1 3.8
assign (resid   17 and name HN  ) (resid   17 and name HA  )   3.0  1.2  0.5 ! D 1 3.0
assign (resid   17 and name HN  ) (resid   17 and name HB# )   2.5  0.7  0.4 ! D 1 2.7
assign (resid   17 and name HN  ) (resid   17 and name HB# )   4.0  2.2  1.0 ! D 1 3.5
assign (resid   18 and name HN  ) (resid   17 and name HB# )   3.0  1.2  0.5 ! G 1 3.2
assign (resid   18 and name HN  ) (resid   18 and name HA# )   3.0  1.2  0.5 ! G 1 3.1
assign (resid   18 and name HN  ) (resid   18 and name HA# )   3.0  1.2  0.5 ! G 1 2.9
assign (resid   18 and name HN  ) (resid   17 and name HB# )   4.0  2.2  1.0 ! G 1 3.9
assign (resid   19 and name HN  ) (resid   19 and name HB  )   3.0  1.2  0.5 ! I 1 3.2
assign (resid   19 and name HN  ) (resid   19 and name HA  )   3.0  1.2  0.5 ! I 1 3.3
assign (resid   20 and name HN  ) (resid   20 and name HA  )   3.0  1.2  0.5 ! D 1 3.2
assign (resid   20 and name HN  ) (resid   20 and name HB# )   3.0  1.2  0.5 ! D 1 3.5
assign (resid   20 and name HN  ) (resid   19 and name HB  )   3.0  1.2  0.5 ! D 1 2.9
assign (resid   20 and name HN  ) (resid   20 and name HB# )   3.0  1.2  0.5 ! D 1 3.1
assign (resid   20 and name HN  ) (resid   13 and name HB  )   4.0  2.2  1.0 ! D 1 3.6
assign (resid   21 and name HN  ) (resid   21 and name HA  )   3.0  1.2  0.5 ! L 1 3.1
assign (resid   21 and name HN  ) (resid   20 and name HB# )   4.0  2.2  1.0 ! L 1 3.9
assign (resid   21 and name HN  ) (resid   21 and name HB# )   3.0  1.2  0.5 ! L 1 3.0
assign (resid   21 and name HN  ) (resid   21 and name HB# )   2.5  0.7  0.4 ! L 1 2.8
assign (resid   21 and name HN  ) (resid   20 and name HB# )   3.0  1.2  0.5 ! L 1 3.3
assign (resid   22 and name HN  ) (resid   21 and name HB# )   3.0  1.2  0.5 ! R 1 3.2
assign (resid   22 and name HN  ) (resid   12 and name HB# )   4.0  2.2  1.0 ! R 1 5.0
assign (resid   22 and name HN  ) (resid   22 and name HA  )   3.0  1.2  0.5 ! R 1 2.9
assign (resid   22 and name HN  ) (resid   21 and name HB# )   3.0  1.2  0.5 ! R 1 3.3
assign (resid   22 and name HN  ) (resid   22 and name HB# )   4.0  2.2  1.0 ! R 1 3.7
assign (resid   23 and name HN  ) (resid   23 and name HB# )   2.5  0.7  0.4 ! L 1 2.7
assign (resid   23 and name HN  ) (resid   23 and name HA  )   3.0  1.2  0.5 ! L 1 3.3
assign (resid   23 and name HN  ) (resid   22 and name HB# )   3.0  1.2  0.5 ! L 1 3.5
assign (resid   24 and name HN  ) (resid   24 and name HA  )   3.0  1.2  0.5 ! S 1 3.1
assign (resid   24 and name HN  ) (resid   24 and name HB# )   3.0  1.2  0.5 ! S 1 3.2
assign (resid   24 and name HN  ) (resid   24 and name HB# )   3.0  1.2  0.5 ! S 1 3.2
assign (resid   24 and name HN  ) (resid   23 and name HB# )   2.5  0.7  0.4 ! S 1 2.7
assign (resid   25 and name HN  ) (resid   25 and name HA  )   3.0  1.2  0.5 ! H 1 2.9
assign (resid   25 and name HN  ) (resid   25 and name HB# )   2.5  0.7  0.4 ! H 1 2.8
assign (resid   25 and name HN  ) (resid   24 and name HB# )   2.5  0.7  0.4 ! H 1 2.8
assign (resid   25 and name HN  ) (resid   24 and name HB# )   3.0  1.2  0.5 ! H 1 3.1
assign (resid   26 and name HN  ) (resid   24 and name HB# )   4.0  2.2  1.0 ! E 1 3.7
assign (resid   26 and name HN  ) (resid   26 and name HA  )   3.0  1.2  0.5 ! E 1 3.0
assign (resid   26 and name HN  ) (resid   26 and name HB# )   2.5  0.7  0.4 ! E 1 2.7
assign (resid   26 and name HN  ) (resid   26 and name HB# )   2.5  0.7  0.4 ! E 1 2.8
assign (resid   26 and name HN  ) (resid   25 and name HB# )   3.0  1.2  0.5 ! E 1 2.9
assign (resid   27 and name HN  ) (resid   27 and name HA  )   3.0  1.2  0.5 ! A 1 3.3
assign (resid   27 and name HN  ) (resid   26 and name HB# )   3.0  1.2  0.5 ! A 1 3.5
assign (resid   27 and name HN  ) (resid   26 and name HB# )   3.0  1.2  0.5 ! A 1 3.4
assign (resid   27 and name HN  ) (resid   24 and name HB# )   4.0  2.2  1.0 ! A 1 3.9
assign (resid   28 and name HN  ) (resid   28 and name HA  )   3.0  1.2  0.5 ! L 1 3.0
assign (resid   28 and name HN  ) (resid   28 and name HB# )   2.5  0.7  0.4 ! L 1 2.8
assign (resid   28 and name HN  ) (resid   28 and name HB# )   2.5  0.7  0.4 ! L 1 2.7
assign (resid   29 and name HN  ) (resid   28 and name HB# )   3.0  1.2  0.5 ! R 1 3.0
assign (resid   29 and name HN  ) (resid   29 and name HB# )   2.5  0.7  0.4 ! R 1 2.8
assign (resid   29 and name HN  ) (resid   29 and name HB# )   2.5  0.7  0.4 ! R 1 2.8
assign (resid   29 and name HN  ) (resid   28 and name HB# )   2.5  0.7  0.4 ! R 1 2.9
assign (resid   29 and name HN  ) (resid   29 and name HA  )   2.5  0.7  0.4 ! R 1 2.9
assign (resid   30 and name HN  ) (resid   29 and name HB# )   3.0  1.2  0.5 ! Q 1 3.2
assign (resid   30 and name HN  ) (resid   30 and name HA  )   3.0  1.2  0.5 ! Q 1 3.1
assign (resid   30 and name HN  ) (resid   29 and name HB# )   4.0  2.2  1.0 ! Q 1 3.5
assign (resid   30 and name HN  ) (resid   30 and name HB# )   2.5  0.7  0.4 ! Q 1 2.9
assign (resid   31 and name HN  ) (resid   30 and name HB# )   3.0  1.2  0.5 ! I 1 3.0
assign (resid   31 and name HN  ) (resid   31 and name HA  )   3.0  1.2  0.5 ! I 1 3.0
assign (resid   31 and name HN  ) (resid   31 and name HB  )   2.5  0.7  0.4 ! I 1 2.5
assign (resid   32 and name HN  ) (resid   32 and name HB# )   3.0  1.2  0.5 ! Y 1 3.3
assign (resid   32 and name HN  ) (resid   31 and name HB  )   3.0  1.2  0.5 ! Y 1 3.0
assign (resid   32 and name HN  ) (resid   32 and name HB# )   2.5  0.7  0.4 ! Y 1 2.8
assign (resid   32 and name HN  ) (resid   32 and name HA  )   2.5  0.7  0.4 ! Y 1 2.8
assign (resid   32 and name HN  ) (resid   28 and name HB# )   4.0  2.2  1.0 ! Y 1 2.8   ! overlapping 3.0 to 4.0
assign (resid   33 and name HN  ) (resid   33 and name HB# )   3.0  1.2  0.5 ! L 1 3.1
assign (resid   33 and name HN  ) (resid   32 and name HB# )   3.0  1.2  0.5 ! L 1 3.4
assign (resid   33 and name HN  ) (resid   33 and name HB# )   2.5  0.7  0.4 ! L 1 2.9
assign (resid   33 and name HN  ) (resid   33 and name HA  )   3.0  1.2  0.5 ! L 1 3.2
assign (resid   33 and name HN  ) (resid   32 and name HB# )   4.0  2.2  1.0 ! L 1 3.9
assign (resid   34 and name HN  ) (resid   33 and name HB# )   2.5  0.7  0.4 ! S 1 2.9
assign (resid   34 and name HN  ) (resid   32 and name HB# )   4.0  2.2  1.0 ! S 1 3.8
assign (resid   34 and name HN  ) (resid   34 and name HA  )   2.5  0.7  0.4 ! S 1 2.8
assign (resid   34 and name HN  ) (resid   33 and name HB# )   3.0  1.2  0.5 ! S 1 3.0
assign (resid   34 and name HN  ) (resid   34 and name HB# )   3.0  1.2  0.5 ! S 1 3.0
assign (resid   35 and name HN  ) (resid   35 and name HA# )   3.0  1.2  0.5 ! G 1 3.0
assign (resid   35 and name HN  ) (resid   34 and name HB# )   3.0  1.2  0.5 ! G 1 3.5
assign (resid   36 and name HN  ) (resid   36 and name HB# )   2.5  0.7  0.4 ! L 1 2.4
assign (resid   36 and name HN  ) (resid   36 and name HA  )   2.5  0.7  0.4 ! L 1 2.8
assign (resid   36 and name HN  ) (resid   38 and name HB# )   4.0  2.2  1.0 ! L 1 3.0  ! overlapping 3.0 to 4.0
assign (resid   37 and name HN  ) (resid   37 and name HA  )   2.5  0.7  0.4 ! H 1 2.8
assign (resid   37 and name HN  ) (resid   36 and name HB# )   2.5  0.7  0.4 ! H 1 2.9
assign (resid   37 and name HN  ) (resid   37 and name HB# )   2.5  0.7  0.4 ! H 1 2.7
assign (resid   38 and name HN  ) (resid   38 and name HB# )   2.5  0.7  0.4 ! S 1 2.5
assign (resid   38 and name HN  ) (resid   38 and name HA  )   2.5  0.7  0.4 ! S 1 2.8
assign (resid   38 and name HN  ) (resid   37 and name HB# )   3.0  1.2  0.5 ! S 1 3.3
assign (resid   39 and name HN  ) (resid   39 and name HB# )   3.0  1.2  0.5 ! W 1 2.9
assign (resid   39 and name HN  ) (resid   39 and name HA  )   2.5  0.7  0.4 ! W 1 2.5
assign (resid   39 and name HN  ) (resid   38 and name HB# )   3.0  1.2  0.5 ! W 1 2.9
assign (resid   40 and name HN  ) (resid   39 and name HB# )   4.0  2.2  1.0 ! K 1 3.9


! 13C noesy in D2O, 120 ms

assign (resid   10 and name HA  ) (resid   23 and name HA  )   2.5  1.2  0.5 ! F 1 3.0
assign (resid   12 and name HA  ) (resid   21 and name HA  )   2.5  1.2  0.5 ! F 1 3.0
assign (resid   14 and name HA  ) (resid   19 and name HA  )   2.5  1.2  0.5 ! V 1 3.0

assign (resid   21 and name HD#  ) (resid  12 and name HD# )   4.0  2.2  1.0 ! V 1 4.0
assign (resid   19 and name HD#  ) (resid  14 and name HG# )   4.0  2.2  1.0 ! V 1 4.0
assign (resid   13 and name HB#  ) (resid  20 and name HB# )   4.0  2.2  1.0 ! V 1 4.0
assign (resid   19 and name HA   ) (resid  14 and name HG# )   4.0  2.2  1.0 ! V 1 4.0
assign (resid   23 and name HD#  ) (resid  10 and name HB# )   4.0  2.2  1.0 ! V 1 4.0


!Ser 38, canonical H-bond for membrane-immersed helix

assign (resid   38 and name HG  ) (resid 34 and name O   )   1.8  0.2 0.6 ! i-i-4 implemented Ser H-bond


! experimental Chi1 rotamers

! note Phe10 is averaged

assign (resid  12 and name   N)
       (resid  12 and name  CA)
       (resid  12 and name  CB)
       (resid  12 and name  CG) 1.00  180.000  30.000   2

assign (resid  25 and name   N)
       (resid  25 and name  CA)
       (resid  25 and name  CB)
       (resid  25 and name  CG) 1.00  -60.000  60.000   2

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  30 and name   N)
       (resid  30 and name  CA)
       (resid  30 and name  CB)
       (resid  30 and name  CG) 1.00  -60.000  60.000   2

assign (resid  32 and name   N)
       (resid  32 and name  CA)
       (resid  32 and name  CB)
       (resid  32 and name  CG) 1.00  180.000  30.000   2

assign (resid  33 and name   N)
       (resid  33 and name  CA)
       (resid  33 and name  CB)
       (resid  33 and name  CG) 1.00  -60.000  60.000   2

assign (resid  37 and name   N)
       (resid  37 and name  CA)
       (resid  37 and name  CB)
       (resid  37 and name  CG) 1.00  -60.000  60.000   2


! empirical, immerse F10/F12 rings

assign (resid 10 and name  CA)
       (resid 10 and name  CB)
       (resid 10 and name  CG)
       (resid 10 and name CD1) 1.00    0.000  30.000   2

assign (resid 12 and name  CA)
       (resid 12 and name  CB)
       (resid 12 and name  CG)
       (resid 12 and name CD1) 1.00    0.000  30.000   2


! talos+ predictions, 2 stddev range

assign (resid   7 and name  c) (resid   8 and name n)
       (resid   8 and name ca) (resid   8 and name c)  1.0  -91.0   40.0   2
assign (resid   8 and name n) (resid   8 and name ca)
       (resid   8 and name c) (resid   9 and name  n)  1.0  123.0   42.0   2

assign (resid   8 and name  c) (resid   9 and name n)
       (resid   9 and name ca) (resid   9 and name c)  1.0  -97.0   26.0   2
assign (resid   9 and name n) (resid   9 and name ca)
       (resid   9 and name c) (resid  10 and name  n)  1.0  -28.0   30.0   2

assign (resid   9 and name  c) (resid  10 and name n)
       (resid  10 and name ca) (resid  10 and name c)  1.0 -134.0   30.0   2
assign (resid  10 and name n) (resid  10 and name ca)
       (resid  10 and name c) (resid  11 and name  n)  1.0  147.0   20.0   2

assign (resid  10 and name  c) (resid  11 and name n)
       (resid  11 and name ca) (resid  11 and name c)  1.0 -133.3   50.5   2
assign (resid  11 and name n) (resid  11 and name ca)
       (resid  11 and name c) (resid  12 and name  n)  1.0  130.6   22.7   2

assign (resid  11 and name  c) (resid  12 and name n)
       (resid  12 and name ca) (resid  12 and name c)  1.0 -121.3   20.9   2
assign (resid  12 and name n) (resid  12 and name ca)
       (resid  12 and name c) (resid  13 and name  n)  1.0  129.0   16.4   2

assign (resid  12 and name  c) (resid  13 and name n)
       (resid  13 and name ca) (resid  13 and name c)  1.0 -111.4   30.3   2
assign (resid  13 and name n) (resid  13 and name ca)
       (resid  13 and name c) (resid  14 and name  n)  1.0  127.4   23.5   2

assign (resid  13 and name  c) (resid  14 and name n)
       (resid  14 and name ca) (resid  14 and name c)  1.0 -111.2   13.7   2
assign (resid  14 and name n) (resid  14 and name ca)
       (resid  14 and name c) (resid  15 and name  n)  1.0  121.1   21.7   2

assign (resid  14 and name  c) (resid  15 and name n)
       (resid  15 and name ca) (resid  15 and name c)  1.0  -93.0   42.0   2
assign (resid  15 and name n) (resid  15 and name ca)
       (resid  15 and name c) (resid  16 and name  n)  1.0  138.0   48.0   2

assign (resid  15 and name  c) (resid  16 and name n)
       (resid  16 and name ca) (resid  16 and name c)  1.0  -59.0   22.0   2
assign (resid  16 and name n) (resid  16 and name ca)
       (resid  16 and name c) (resid  17 and name  n)  1.0  -27.0   20.0   2

assign (resid  16 and name  c) (resid  17 and name n)
       (resid  17 and name ca) (resid  17 and name c)  1.0  -86.0   34.0   2
assign (resid  17 and name n) (resid  17 and name ca)
       (resid  17 and name c) (resid  18 and name  n)  1.0   -8.0   20.0   2

! G18 talos+ prediction is wrong
!assign (resid  17 and name  c) (resid  18 and name n)
!       (resid  18 and name ca) (resid  18 and name c)  1.0   70.0   22.0   2
!assign (resid  18 and name n) (resid  18 and name ca)
!       (resid  18 and name c) (resid  19 and name  n)  1.0   38.0   26.0   2

assign (resid  18 and name  c) (resid  19 and name n)
       (resid  19 and name ca) (resid  19 and name c)  1.0 -133.0   26.0   2
assign (resid  19 and name n) (resid  19 and name ca)
       (resid  19 and name c) (resid  20 and name  n)  1.0  162.0   12.0   2

assign (resid  19 and name  c) (resid  20 and name n)
       (resid  20 and name ca) (resid  20 and name c)  1.0 -128.8   31.1   2
assign (resid  20 and name n) (resid  20 and name ca)
       (resid  20 and name c) (resid  21 and name  n)  1.0  123.0   16.7   2

assign (resid  20 and name  c) (resid  21 and name n)
       (resid  21 and name ca) (resid  21 and name c)  1.0 -120.0   27.9   2
assign (resid  21 and name n) (resid  21 and name ca)
       (resid  21 and name c) (resid  22 and name  n)  1.0  130.8   30.0   2

assign (resid  21 and name  c) (resid  22 and name n)
       (resid  22 and name ca) (resid  22 and name c)  1.0 -114.8   25.3   2
assign (resid  22 and name n) (resid  22 and name ca)
       (resid  22 and name c) (resid  23 and name  n)  1.0  131.8   28.2   2

assign (resid  22 and name  c) (resid  23 and name n)
       (resid  23 and name ca) (resid  23 and name c)  1.0 -131.1   26.9   2
assign (resid  23 and name n) (resid  23 and name ca)
       (resid  23 and name c) (resid  24 and name  n)  1.0  141.7   30.9   2

assign (resid  23 and name  c) (resid  24 and name n)
       (resid  24 and name ca) (resid  24 and name c)  1.0  -81.4   19.4   2
assign (resid  24 and name n) (resid  24 and name ca)
       (resid  24 and name c) (resid  25 and name  n)  1.0  165.1   22.7   2

assign (resid  24 and name  c) (resid  25 and name n)
       (resid  25 and name ca) (resid  25 and name c)  1.0  -59.8    8.9   2
assign (resid  25 and name n) (resid  25 and name ca)
       (resid  25 and name c) (resid  26 and name  n)  1.0  -37.4    9.9   2

assign (resid  25 and name  c) (resid  26 and name n)
       (resid  26 and name ca) (resid  26 and name c)  1.0  -71.2   13.9   2
assign (resid  26 and name n) (resid  26 and name ca)
       (resid  26 and name c) (resid  27 and name  n)  1.0  -37.8   16.1   2

assign (resid  26 and name  c) (resid  27 and name n)
       (resid  27 and name ca) (resid  27 and name c)  1.0  -64.5    6.2   2
assign (resid  27 and name n) (resid  27 and name ca)
       (resid  27 and name c) (resid  28 and name  n)  1.0  -39.6   12.6   2

assign (resid  27 and name  c) (resid  28 and name n)
       (resid  28 and name ca) (resid  28 and name c)  1.0  -66.7    8.6   2
assign (resid  28 and name n) (resid  28 and name ca)
       (resid  28 and name c) (resid  29 and name  n)  1.0  -38.2   12.1   2

assign (resid  28 and name  c) (resid  29 and name n)
       (resid  29 and name ca) (resid  29 and name c)  1.0  -61.0    8.0   2
assign (resid  29 and name n) (resid  29 and name ca)
       (resid  29 and name c) (resid  30 and name  n)  1.0  -43.0   10.0   2

assign (resid  29 and name  c) (resid  30 and name n)
       (resid  30 and name ca) (resid  30 and name c)  1.0  -64.5    8.5   2
assign (resid  30 and name n) (resid  30 and name ca)
       (resid  30 and name c) (resid  31 and name  n)  1.0  -38.8   11.1   2

assign (resid  30 and name  c) (resid  31 and name n)
       (resid  31 and name ca) (resid  31 and name c)  1.0  -64.7   10.3   2
assign (resid  31 and name n) (resid  31 and name ca)
       (resid  31 and name c) (resid  32 and name  n)  1.0  -43.0   11.7   2

assign (resid  31 and name  c) (resid  32 and name n)
       (resid  32 and name ca) (resid  32 and name c)  1.0  -62.7    9.8   2
assign (resid  32 and name n) (resid  32 and name ca)
       (resid  32 and name c) (resid  33 and name  n)  1.0  -42.4   11.8   2

assign (resid  32 and name  c) (resid  33 and name n)
       (resid  33 and name ca) (resid  33 and name c)  1.0  -60.7   15.6   2
assign (resid  33 and name n) (resid  33 and name ca)
       (resid  33 and name c) (resid  34 and name  n)  1.0  -39.1    7.9   2

assign (resid  33 and name  c) (resid  34 and name n)
       (resid  34 and name ca) (resid  34 and name c)  1.0  -69.0   23.6   2
assign (resid  34 and name n) (resid  34 and name ca)
       (resid  34 and name c) (resid  35 and name  n)  1.0  -34.1   16.8   2

assign (resid  34 and name  c) (resid  35 and name n)
       (resid  35 and name ca) (resid  35 and name c)  1.0  -65.8   18.7   2
assign (resid  35 and name n) (resid  35 and name ca)
       (resid  35 and name c) (resid  36 and name  n)  1.0  -41.1   16.8   2

assign (resid  35 and name  c) (resid  36 and name n)
       (resid  36 and name ca) (resid  36 and name c)  1.0  -67.0   20.0   2
assign (resid  36 and name n) (resid  36 and name ca)
       (resid  36 and name c) (resid  37 and name  n)  1.0  -36.0   16.0   2

assign (resid  36 and name  c) (resid  37 and name n)
       (resid  37 and name ca) (resid  37 and name c)  1.0  -88.0   34.0   2
assign (resid  37 and name n) (resid  37 and name ca)
       (resid  37 and name c) (resid  38 and name  n)  1.0  -12.0   28.0   2

assign (resid  37 and name  c) (resid  38 and name n)
       (resid  38 and name ca) (resid  38 and name c)  1.0  -80.0   46.0   2
assign (resid  38 and name n) (resid  38 and name ca)
       (resid  38 and name c) (resid  39 and name  n)  1.0  -22.0   60.0   2

assign (resid  38 and name  c) (resid  39 and name n)
       (resid  39 and name ca) (resid  39 and name c)  1.0 -102.0   34.0   2
assign (resid  39 and name n) (resid  39 and name ca)
       (resid  39 and name c) (resid  40 and name  n)  1.0    3.0   38.0   2

assign (resid  39 and name  c) (resid  40 and name n)
       (resid  40 and name ca) (resid  40 and name c)  1.0  -62.0  152.0   2
assign (resid  40 and name n) (resid  40 and name ca)
       (resid  40 and name c) (resid  41 and name  n)  1.0  142.0   78.0   2

assign (resid  40 and name  c) (resid  41 and name n)
       (resid  41 and name ca) (resid  41 and name c)  1.0  -80.0   18.0   2
assign (resid  41 and name n) (resid  41 and name ca)
       (resid  41 and name c) (resid  42 and name  n)  1.0  123.0   42.0   2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1  51.589  -8.148   8.276
    2    H2   MET   1           HT2      MET   1  52.266  -7.434   6.889
    3    H3   MET   1           HT3      MET   1  52.690  -9.022   7.326
    4    HA   MET   1           HA       MET   1  51.046  -8.765   5.437
    5    HB2  MET   1           HB2      MET   1  50.471 -10.439   7.895
    6    HB3  MET   1           HB1      MET   1  49.654 -10.667   6.350
    7    HG2  MET   1           HG2      MET   1  51.837 -11.031   5.251
    8    HG3  MET   1           HG1      MET   1  52.647 -10.831   6.804
    9    HE1  MET   1           HE1      MET   1  53.006 -14.380   5.616
   10    HE2  MET   1           HE2      MET   1  53.655 -13.751   7.128
   11    HE3  MET   1           HE3      MET   1  53.625 -12.726   5.695
   12    H    ALA   2           HN       ALA   2  48.815  -9.511   7.924
   13    HA   ALA   2           HA       ALA   2  46.897  -7.633   6.979
   14    HB1  ALA   2           HB1      ALA   2  45.674  -8.392   9.129
   15    HB2  ALA   2           HB2      ALA   2  47.016  -9.523   9.315
   16    HB3  ALA   2           HB3      ALA   2  45.992  -9.599   7.879
   17    H    GLU   3           HN       GLU   3  46.181  -5.724   7.808
   18    HA   GLU   3           HA       GLU   3  47.516  -4.654  10.210
   19    HB2  GLU   3           HB2      GLU   3  47.201  -3.261   7.539
   20    HB3  GLU   3           HB1      GLU   3  47.621  -2.426   9.034
   21    HG2  GLU   3           HG2      GLU   3  49.641  -3.763   9.271
   22    HG3  GLU   3           HG1      GLU   3  49.204  -4.729   7.864
   23    H    ALA   4           HN       ALA   4  46.289  -3.112  11.378
   24    HA   ALA   4           HA       ALA   4  43.496  -3.554  11.403
   25    HB1  ALA   4           HB1      ALA   4  44.078  -2.808  13.467
   26    HB2  ALA   4           HB2      ALA   4  43.769  -1.215  12.775
   27    HB3  ALA   4           HB3      ALA   4  45.417  -1.840  12.849
   28    H    HIS   5           HN       HIS   5  45.489  -0.978  10.031
   29    HA   HIS   5           HA       HIS   5  43.416   0.794   9.330
   30    HB2  HIS   5           HB2      HIS   5  46.244   0.379   8.538
   31    HB3  HIS   5           HB1      HIS   5  45.241   1.284   7.406
   32    HD2  HIS   5           HD2      HIS   5  47.058   1.853  10.759
   33    HE1  HIS   5           HE1      HIS   5  44.499   5.164  10.195
   34    HE2  HIS   5           HE2      HIS   5  46.415   4.246  11.587
   35    H    GLN   6           HN       GLN   6  44.878  -1.914   7.547
   36    HA   GLN   6           HA       GLN   6  43.412  -1.507   5.147
   37    HB2  GLN   6           HB2      GLN   6  44.745  -3.980   6.270
   38    HB3  GLN   6           HB1      GLN   6  44.089  -3.854   4.638
   39    HG2  GLN   6           HG2      GLN   6  45.600  -2.009   4.125
   40    HG3  GLN   6           HG1      GLN   6  46.212  -2.018   5.778
   41   HE21  GLN   6          HE21      GLN   6  46.930  -3.127   2.695
   42   HE22  GLN   6          HE22      GLN   6  47.932  -4.430   3.112
   43    H    ALA   7           HN       ALA   7  42.826  -3.503   8.026
   44    HA   ALA   7           HA       ALA   7  40.564  -4.881   7.043
   45    HB1  ALA   7           HB1      ALA   7  41.383  -5.854   8.968
   46    HB2  ALA   7           HB2      ALA   7  40.037  -4.929   9.635
   47    HB3  ALA   7           HB3      ALA   7  41.682  -4.302   9.752
   48    H    VAL   8           HN       VAL   8  40.890  -1.775   8.720
   49    HA   VAL   8           HA       VAL   8  38.028  -1.263   8.141
   50    HB   VAL   8           HB       VAL   8  39.662  -0.537  10.574
   51   HG11  VAL   8          HG11      VAL   8  38.503   1.486  10.076
   52   HG12  VAL   8          HG12      VAL   8  37.487   0.656  11.251
   53   HG13  VAL   8          HG13      VAL   8  37.064   0.618   9.538
   54   HG21  VAL   8          HG21      VAL   8  36.896  -1.718  10.491
   55   HG22  VAL   8          HG22      VAL   8  38.139  -1.886  11.732
   56   HG23  VAL   8          HG23      VAL   8  38.294  -2.754  10.203
   57    H    ALA   9           HN       ALA   9  37.587   0.475   6.977
   58    HA   ALA   9           HA       ALA   9  39.739   2.456   6.508
   59    HB1  ALA   9           HB1      ALA   9  37.624   2.460   4.519
   60    HB2  ALA   9           HB2      ALA   9  38.364   0.866   4.665
   61    HB3  ALA   9           HB3      ALA   9  39.365   2.271   4.301
   62    H    PHE  10           HN       PHE  10  36.547   1.927   7.665
   63    HA   PHE  10           HA       PHE  10  36.267   4.820   8.031
   64    HB2  PHE  10           HB2      PHE  10  34.079   4.970   7.230
   65    HB3  PHE  10           HB1      PHE  10  34.929   4.025   6.019
   66    HD1  PHE  10           HD1      PHE  10  34.918   1.342   7.692
   67    HD2  PHE  10           HD2      PHE  10  31.893   4.229   6.698
   68    HE1  PHE  10           HE1      PHE  10  33.176  -0.388   7.959
   69    HE2  PHE  10           HE2      PHE  10  30.153   2.487   6.950
   70    HZ   PHE  10           HZ       PHE  10  30.792   0.178   7.583
   71    H    GLN  11           HN       GLN  11  35.606   5.448   9.982
   72    HA   GLN  11           HA       GLN  11  34.366   3.411  11.741
   73    HB2  GLN  11           HB2      GLN  11  36.607   5.311  12.446
   74    HB3  GLN  11           HB1      GLN  11  35.696   4.370  13.628
   75    HG2  GLN  11           HG2      GLN  11  36.358   2.287  12.500
   76    HG3  GLN  11           HG1      GLN  11  37.246   3.214  11.292
   77   HE21  GLN  11          HE21      GLN  11  39.423   2.817  11.750
   78   HE22  GLN  11          HE22      GLN  11  40.128   2.976  13.285
   79    H    PHE  12           HN       PHE  12  32.605   4.033  12.797
   80    HA   PHE  12           HA       PHE  12  31.997   6.921  12.879
   81    HB2  PHE  12           HB2      PHE  12  30.565   6.106  11.222
   82    HB3  PHE  12           HB1      PHE  12  30.334   4.567  12.031
   83    HD1  PHE  12           HD1      PHE  12  30.083   7.848  13.784
   84    HD2  PHE  12           HD2      PHE  12  27.944   4.591  11.978
   85    HE1  PHE  12           HE1      PHE  12  27.995   8.628  14.847
   86    HE2  PHE  12           HE2      PHE  12  25.846   5.395  13.025
   87    HZ   PHE  12           HZ       PHE  12  25.872   7.414  14.462
   88    H    THR  13           HN       THR  13  31.739   7.615  14.926
   89    HA   THR  13           HA       THR  13  30.748   5.681  16.944
   90    HB   THR  13           HB       THR  13  32.651   7.770  17.824
   91    HG1  THR  13           HG1      THR  13  34.281   6.957  16.773
   92   HG21  THR  13          HG21      THR  13  33.298   6.020  19.375
   93   HG22  THR  13          HG22      THR  13  32.366   4.829  18.468
   94   HG23  THR  13          HG23      THR  13  31.539   6.120  19.337
   95    H    VAL  14           HN       VAL  14  29.173   6.339  18.211
   96    HA   VAL  14           HA       VAL  14  28.230   9.106  17.934
   97    HB   VAL  14           HB       VAL  14  26.643   7.181  17.557
   98   HG11  VAL  14          HG11      VAL  14  26.685   6.845  20.553
   99   HG12  VAL  14          HG12      VAL  14  27.724   5.871  19.514
  100   HG13  VAL  14          HG13      VAL  14  25.969   5.788  19.336
  101   HG21  VAL  14          HG21      VAL  14  26.045   9.064  19.864
  102   HG22  VAL  14          HG22      VAL  14  24.831   8.159  18.964
  103   HG23  VAL  14          HG23      VAL  14  25.786   9.398  18.152
  104    H    THR  15           HN       THR  15  28.582  10.566  19.527
  105    HA   THR  15           HA       THR  15  29.242   9.503  22.197
  106    HB   THR  15           HB       THR  15  30.523  11.859  22.221
  107    HG1  THR  15           HG1      THR  15  31.545  11.957  20.102
  108   HG21  THR  15          HG21      THR  15  31.509   9.233  21.077
  109   HG22  THR  15          HG22      THR  15  31.570   9.744  22.765
  110   HG23  THR  15          HG23      THR  15  32.569  10.557  21.560
  111    HA   PRO  16           HA       PRO  16  25.961  11.925  23.898
  112    HB2  PRO  16           HB2      PRO  16  27.944  13.325  25.625
  113    HB3  PRO  16           HB1      PRO  16  26.472  12.456  26.088
  114    HG2  PRO  16           HG2      PRO  16  28.938  11.453  26.461
  115    HG3  PRO  16           HG1      PRO  16  27.521  10.439  26.150
  116    HD2  PRO  16           HD2      PRO  16  29.801  11.048  24.367
  117    HD3  PRO  16           HD1      PRO  16  28.666   9.679  24.341
  118    H    ASP  17           HN       ASP  17  29.013  13.625  23.177
  119    HA   ASP  17           HA       ASP  17  27.790  16.194  22.913
  120    HB2  ASP  17           HB2      ASP  17  30.479  15.099  22.089
  121    HB3  ASP  17           HB1      ASP  17  30.014  16.789  21.907
  122    H    GLY  18           HN       GLY  18  28.072  13.452  20.726
  123    HA2  GLY  18           HA2      GLY  18  26.416  14.394  18.804
  124    HA3  GLY  18           HA1      GLY  18  27.956  15.114  18.348
  125    H    ILE  19           HN       ILE  19  28.509  13.973  16.554
  126    HA   ILE  19           HA       ILE  19  28.906  11.082  16.877
  127    HB   ILE  19           HB       ILE  19  28.269  10.886  14.459
  128   HG12  ILE  19          HG12      ILE  19  27.121  13.654  14.889
  129   HG13  ILE  19          HG11      ILE  19  28.577  13.320  13.950
  130   HG21  ILE  19          HG21      ILE  19  26.307  10.179  15.312
  131   HG22  ILE  19          HG22      ILE  19  25.741  11.844  15.371
  132   HG23  ILE  19          HG23      ILE  19  26.586  11.155  16.754
  133   HD11  ILE  19          HD11      ILE  19  25.896  13.222  13.051
  134   HD12  ILE  19          HD12      ILE  19  26.471  11.558  13.094
  135   HD13  ILE  19          HD13      ILE  19  27.345  12.768  12.158
  136    H    ASP  20           HN       ASP  20  30.645  10.294  15.756
  137    HA   ASP  20           HA       ASP  20  32.464  12.274  14.523
  138    HB2  ASP  20           HB2      ASP  20  33.227  11.697  16.812
  139    HB3  ASP  20           HB1      ASP  20  33.292  10.000  16.342
  140    H    LEU  21           HN       LEU  21  33.468  11.618  12.660
  141    HA   LEU  21           HA       LEU  21  33.178   8.799  11.893
  142    HB2  LEU  21           HB2      LEU  21  32.433  11.160  10.143
  143    HB3  LEU  21           HB1      LEU  21  32.519   9.484   9.606
  144    HG   LEU  21           HG       LEU  21  30.890   9.181  11.747
  145   HD11  LEU  21          HD11      LEU  21  29.292  11.038  11.809
  146   HD12  LEU  21          HD12      LEU  21  30.243  11.917  10.611
  147   HD13  LEU  21          HD13      LEU  21  30.908  11.620  12.216
  148   HD21  LEU  21          HD21      LEU  21  30.039  10.063   8.970
  149   HD22  LEU  21          HD22      LEU  21  29.019   9.206  10.128
  150   HD23  LEU  21          HD23      LEU  21  30.442   8.411   9.446
  151    H    ARG  22           HN       ARG  22  35.022   8.027  11.286
  152    HA   ARG  22           HA       ARG  22  37.104   9.879  10.271
  153    HB2  ARG  22           HB2      ARG  22  37.433   7.443  12.028
  154    HB3  ARG  22           HB1      ARG  22  38.772   8.320  11.290
  155    HG2  ARG  22           HG2      ARG  22  38.090  10.380  12.449
  156    HG3  ARG  22           HG1      ARG  22  36.713   9.536  13.158
  157    HD2  ARG  22           HD2      ARG  22  38.487   9.611  14.808
  158    HD3  ARG  22           HD1      ARG  22  38.323   7.949  14.247
  159    HE   ARG  22           HE       ARG  22  40.261   9.314  12.681
  160   HH11  ARG  22          HH21      ARG  22  39.704   7.971  15.828
  161   HH12  ARG  22          HH22      ARG  22  41.377   7.632  16.128
  162   HH21  ARG  22          HH11      ARG  22  42.454   8.880  13.079
  163   HH22  ARG  22          HH12      ARG  22  42.931   8.147  14.574
  164    H    LEU  23           HN       LEU  23  38.187   9.393   8.443
  165    HA   LEU  23           HA       LEU  23  37.736   6.735   7.271
  166    HB2  LEU  23           HB2      LEU  23  37.175   9.419   6.032
  167    HB3  LEU  23           HB1      LEU  23  37.553   8.010   5.043
  168    HG   LEU  23           HG       LEU  23  35.505   7.576   7.137
  169   HD11  LEU  23          HD11      LEU  23  33.757   8.616   5.625
  170   HD12  LEU  23          HD12      LEU  23  35.076   9.385   4.739
  171   HD13  LEU  23          HD13      LEU  23  34.803   9.781   6.437
  172   HD21  LEU  23          HD21      LEU  23  35.642   6.965   4.165
  173   HD22  LEU  23          HD22      LEU  23  34.495   6.278   5.315
  174   HD23  LEU  23          HD23      LEU  23  36.212   5.889   5.439
  175    H    SER  24           HN       SER  24  39.502   5.926   6.323
  176    HA   SER  24           HA       SER  24  42.018   7.310   6.560
  177    HB2  SER  24           HB2      SER  24  43.009   5.271   6.090
  178    HB3  SER  24           HB1      SER  24  41.467   4.752   6.766
  179    HG   SER  24           HG       SER  24  41.160   3.814   4.915
  180    H    HIS  25           HN       HIS  25  43.463   7.800   4.883
  181    HA   HIS  25           HA       HIS  25  42.448   9.126   2.632
  182    HB2  HIS  25           HB2      HIS  25  45.131   8.193   3.532
  183    HB3  HIS  25           HB1      HIS  25  44.957   8.601   1.827
  184    HD2  HIS  25           HD2      HIS  25  44.118  11.370   1.375
  185    HE1  HIS  25           HE1      HIS  25  45.168  12.632   5.264
  186    HE2  HIS  25           HE2      HIS  25  44.499  13.421   2.947
  187    H    GLU  26           HN       GLU  26  43.342   5.830   3.188
  188    HA   GLU  26           HA       GLU  26  43.487   4.937   0.489
  189    HB2  GLU  26           HB2      GLU  26  43.008   3.484   3.095
  190    HB3  GLU  26           HB1      GLU  26  43.148   2.655   1.543
  191    HG2  GLU  26           HG2      GLU  26  45.378   3.614   1.209
  192    HG3  GLU  26           HG1      GLU  26  45.240   4.512   2.719
  193    H    ALA  27           HN       ALA  27  40.870   5.177   2.841
  194    HA   ALA  27           HA       ALA  27  38.892   3.757   1.420
  195    HB1  ALA  27           HB1      ALA  27  37.464   4.470   3.062
  196    HB2  ALA  27           HB2      ALA  27  38.083   6.121   3.025
  197    HB3  ALA  27           HB3      ALA  27  38.985   4.862   3.870
  198    H    LEU  28           HN       LEU  28  40.076   7.014   1.272
  199    HA   LEU  28           HA       LEU  28  38.013   8.115  -0.362
  200    HB2  LEU  28           HB2      LEU  28  40.859   8.988   0.163
  201    HB3  LEU  28           HB1      LEU  28  39.730   9.923  -0.811
  202    HG   LEU  28           HG       LEU  28  39.215   9.058   2.053
  203   HD11  LEU  28          HD11      LEU  28  40.753  11.269   0.945
  204   HD12  LEU  28          HD12      LEU  28  40.612  10.734   2.618
  205   HD13  LEU  28          HD13      LEU  28  39.416  11.841   1.942
  206   HD21  LEU  28          HD21      LEU  28  37.605  11.211   1.541
  207   HD22  LEU  28          HD22      LEU  28  37.086   9.533   1.377
  208   HD23  LEU  28          HD23      LEU  28  37.625  10.432  -0.040
  209    H    ARG  29           HN       ARG  29  41.131   6.640  -1.064
  210    HA   ARG  29           HA       ARG  29  41.204   7.195  -3.813
  211    HB2  ARG  29           HB2      ARG  29  43.153   6.423  -2.502
  212    HB3  ARG  29           HB1      ARG  29  42.398   4.838  -2.339
  213    HG2  ARG  29           HG2      ARG  29  42.409   4.577  -4.792
  214    HG3  ARG  29           HG1      ARG  29  43.149   6.168  -4.962
  215    HD2  ARG  29           HD2      ARG  29  44.370   3.856  -3.432
  216    HD3  ARG  29           HD1      ARG  29  44.811   4.309  -5.076
  217    HE   ARG  29           HE       ARG  29  45.582   5.675  -2.645
  218   HH11  ARG  29          HH21      ARG  29  44.996   5.922  -6.046
  219   HH12  ARG  29          HH22      ARG  29  46.103   7.235  -6.284
  220   HH21  ARG  29          HH11      ARG  29  47.039   7.397  -2.948
  221   HH22  ARG  29          HH12      ARG  29  47.258   8.068  -4.529
  222    H    GLN  30           HN       GLN  30  39.767   4.467  -2.054
  223    HA   GLN  30           HA       GLN  30  39.096   2.962  -4.381
  224    HB2  GLN  30           HB2      GLN  30  37.997   2.954  -1.562
  225    HB3  GLN  30           HB1      GLN  30  37.539   1.778  -2.796
  226    HG2  GLN  30           HG2      GLN  30  39.867   1.059  -3.020
  227    HG3  GLN  30           HG1      GLN  30  40.380   2.286  -1.863
  228   HE21  GLN  30          HE21      GLN  30  41.186   0.051  -0.844
  229   HE22  GLN  30          HE22      GLN  30  40.106  -0.664   0.250
  230    H    ILE  31           HN       ILE  31  37.341   5.269  -2.362
  231    HA   ILE  31           HA       ILE  31  34.850   5.006  -3.632
  232    HB   ILE  31           HB       ILE  31  36.060   7.279  -2.060
  233   HG12  ILE  31          HG12      ILE  31  33.928   5.265  -1.300
  234   HG13  ILE  31          HG11      ILE  31  35.641   5.007  -0.978
  235   HG21  ILE  31          HG21      ILE  31  33.442   6.983  -3.455
  236   HG22  ILE  31          HG22      ILE  31  34.351   8.446  -3.074
  237   HG23  ILE  31          HG23      ILE  31  33.400   7.647  -1.822
  238   HD11  ILE  31          HD11      ILE  31  34.105   6.132   0.852
  239   HD12  ILE  31          HD12      ILE  31  34.378   7.584  -0.111
  240   HD13  ILE  31          HD13      ILE  31  35.744   6.724   0.591
  241    H    TYR  32           HN       TYR  32  37.492   7.374  -4.314
  242    HA   TYR  32           HA       TYR  32  36.004   8.808  -6.251
  243    HB2  TYR  32           HB2      TYR  32  38.015   9.783  -5.359
  244    HB3  TYR  32           HB1      TYR  32  38.988   8.434  -5.950
  245    HD1  TYR  32           HD1      TYR  32  36.766  11.218  -7.068
  246    HD2  TYR  32           HD2      TYR  32  39.825   8.405  -8.165
  247    HE1  TYR  32           HE1      TYR  32  37.006  12.335  -9.270
  248    HE2  TYR  32           HE2      TYR  32  40.067   9.525 -10.365
  249    HH   TYR  32           HH       TYR  32  37.927  11.379 -11.722
  250    H    LEU  33           HN       LEU  33  38.320   6.122  -6.608
  251    HA   LEU  33           HA       LEU  33  38.157   5.950  -9.419
  252    HB2  LEU  33           HB2      LEU  33  38.844   3.884  -7.326
  253    HB3  LEU  33           HB1      LEU  33  38.990   3.588  -9.055
  254    HG   LEU  33           HG       LEU  33  40.346   5.891  -7.615
  255   HD11  LEU  33          HD11      LEU  33  41.680   3.361  -8.603
  256   HD12  LEU  33          HD12      LEU  33  41.115   3.535  -6.943
  257   HD13  LEU  33          HD13      LEU  33  42.358   4.617  -7.567
  258   HD21  LEU  33          HD21      LEU  33  40.378   6.542  -9.835
  259   HD22  LEU  33          HD22      LEU  33  40.276   4.888 -10.439
  260   HD23  LEU  33          HD23      LEU  33  41.806   5.512  -9.828
  261    H    SER  34           HN       SER  34  36.274   4.261  -6.879
  262    HA   SER  34           HA       SER  34  34.832   2.568  -8.602
  263    HB2  SER  34           HB2      SER  34  34.058   3.787  -5.946
  264    HB3  SER  34           HB1      SER  34  33.092   2.577  -6.783
  265    HG   SER  34           HG       SER  34  34.769   1.135  -6.604
  266    H    GLY  35           HN       GLY  35  34.349   5.916  -7.664
  267    HA2  GLY  35           HA2      GLY  35  31.777   6.221  -8.881
  268    HA3  GLY  35           HA1      GLY  35  32.843   7.524  -8.359
  269    H    LEU  36           HN       LEU  36  35.104   6.755  -9.886
  270    HA   LEU  36           HA       LEU  36  34.659   8.148 -12.251
  271    HB2  LEU  36           HB2      LEU  36  36.891   7.848 -11.250
  272    HB3  LEU  36           HB1      LEU  36  36.836   6.130 -11.637
  273    HG   LEU  36           HG       LEU  36  36.698   6.667 -14.045
  274   HD11  LEU  36          HD11      LEU  36  36.494   9.437 -12.939
  275   HD12  LEU  36          HD12      LEU  36  35.685   8.724 -14.337
  276   HD13  LEU  36          HD13      LEU  36  37.375   9.221 -14.453
  277   HD21  LEU  36          HD21      LEU  36  38.926   7.083 -12.319
  278   HD22  LEU  36          HD22      LEU  36  38.995   8.321 -13.574
  279   HD23  LEU  36          HD23      LEU  36  38.948   6.617 -14.021
  280    H    HIS  37           HN       HIS  37  34.597   4.696 -11.552
  281    HA   HIS  37           HA       HIS  37  34.201   3.904 -14.291
  282    HB2  HIS  37           HB2      HIS  37  33.826   2.421 -11.676
  283    HB3  HIS  37           HB1      HIS  37  33.649   1.686 -13.268
  284    HD2  HIS  37           HD2      HIS  37  36.398   2.069 -10.746
  285    HE1  HIS  37           HE1      HIS  37  38.385   1.915 -14.468
  286    HE2  HIS  37           HE2      HIS  37  38.695   1.770 -11.953
  287    H    SER  38           HN       SER  38  32.195   4.733 -11.552
  288    HA   SER  38           HA       SER  38  29.734   3.678 -12.460
  289    HB2  SER  38           HB2      SER  38  30.243   6.113 -10.734
  290    HB3  SER  38           HB1      SER  38  28.696   5.298 -10.917
  291    HG   SER  38           HG       SER  38  31.072   4.403  -9.697
  292    H    TRP  39           HN       TRP  39  31.254   6.897 -12.985
  293    HA   TRP  39           HA       TRP  39  29.070   7.907 -14.510
  294    HB2  TRP  39           HB2      TRP  39  31.982   8.720 -14.333
  295    HB3  TRP  39           HB1      TRP  39  30.769   9.609 -15.259
  296    HD1  TRP  39           HD1      TRP  39  32.168   9.316 -11.850
  297    HE1  TRP  39           HE1      TRP  39  30.715  10.613 -10.159
  298    HE3  TRP  39           HE3      TRP  39  28.065  10.225 -14.740
  299    HZ2  TRP  39           HZ2      TRP  39  28.143  11.875 -10.054
  300    HZ3  TRP  39           HZ3      TRP  39  26.130  11.473 -13.826
  301    HH2  TRP  39           HH2      TRP  39  26.163  12.300 -11.489
  302    H    LYS  40           HN       LYS  40  31.985   6.099 -15.247
  303    HA   LYS  40           HA       LYS  40  31.880   6.365 -18.083
  304    HB2  LYS  40           HB2      LYS  40  33.893   5.684 -16.749
  305    HB3  LYS  40           HB1      LYS  40  33.118   4.121 -16.474
  306    HG2  LYS  40           HG2      LYS  40  33.005   3.724 -18.890
  307    HG3  LYS  40           HG1      LYS  40  33.716   5.306 -19.202
  308    HD2  LYS  40           HD2      LYS  40  35.751   4.619 -17.952
  309    HD3  LYS  40           HD1      LYS  40  35.040   3.023 -17.712
  310    HE2  LYS  40           HE2      LYS  40  34.964   2.660 -20.129
  311    HE3  LYS  40           HE1      LYS  40  35.592   4.283 -20.416
  312    HZ1  LYS  40           HZ1      LYS  40  37.598   3.367 -20.322
  313    HZ2  LYS  40           HZ2      LYS  40  36.994   1.894 -19.730
  314    HZ3  LYS  40           HZ3      LYS  40  37.354   3.159 -18.656
  315    H    LYS  41           HN       LYS  41  30.960   5.080 -19.632
  316    HA   LYS  41           HA       LYS  41  28.697   3.483 -18.869
  317    HB2  LYS  41           HB2      LYS  41  30.025   3.955 -21.546
  318    HB3  LYS  41           HB1      LYS  41  28.547   3.019 -21.333
  319    HG2  LYS  41           HG2      LYS  41  27.470   4.997 -20.286
  320    HG3  LYS  41           HG1      LYS  41  28.938   5.929 -20.579
  321    HD2  LYS  41           HD2      LYS  41  28.711   5.530 -23.006
  322    HD3  LYS  41           HD1      LYS  41  27.236   4.610 -22.714
  323    HE2  LYS  41           HE2      LYS  41  26.179   6.602 -21.719
  324    HE3  LYS  41           HE1      LYS  41  27.656   7.527 -21.993
  325    HZ1  LYS  41           HZ1      LYS  41  27.101   6.416 -24.419
  326    HZ2  LYS  41           HZ2      LYS  41  26.792   8.023 -23.962
  327    HZ3  LYS  41           HZ3      LYS  41  25.571   6.848 -23.830
  328    H    LYS  42           HN       LYS  42  28.451   1.275 -18.911
  329    HA   LYS  42           HA       LYS  42  30.892  -0.283 -18.741
  330    HB2  LYS  42           HB2      LYS  42  27.975  -1.073 -18.496
  331    HB3  LYS  42           HB1      LYS  42  29.330  -2.175 -18.261
  332    HG2  LYS  42           HG2      LYS  42  30.190  -0.712 -16.450
  333    HG3  LYS  42           HG1      LYS  42  28.792   0.345 -16.667
  334    HD2  LYS  42           HD2      LYS  42  27.279  -1.522 -16.119
  335    HD3  LYS  42           HD1      LYS  42  28.667  -2.591 -15.918
  336    HE2  LYS  42           HE2      LYS  42  29.505  -1.170 -14.086
  337    HE3  LYS  42           HE1      LYS  42  28.121  -0.093 -14.283
  338    HZ1  LYS  42           HZ1      LYS  42  27.730  -1.670 -12.510
  339    HZ2  LYS  42           HZ2      LYS  42  28.007  -2.974 -13.563
  340    HZ3  LYS  42           HZ3      LYS  42  26.658  -1.967 -13.793
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  50.379  -3.163  -4.210
    2    H2   MET   1           HT2      MET   1  49.706  -2.166  -3.010
    3    H3   MET   1           HT3      MET   1  48.735  -3.302  -3.820
    4    HA   MET   1           HA       MET   1  49.185  -4.808  -2.284
    5    HB2  MET   1           HB2      MET   1  52.059  -4.221  -3.058
    6    HB3  MET   1           HB1      MET   1  51.564  -5.576  -2.049
    7    HG2  MET   1           HG2      MET   1  50.602  -5.077  -4.880
    8    HG3  MET   1           HG1      MET   1  51.849  -6.237  -4.431
    9    HE1  MET   1           HE1      MET   1  51.672  -7.943  -2.848
   10    HE2  MET   1           HE2      MET   1  50.280  -8.996  -2.617
   11    HE3  MET   1           HE3      MET   1  50.493  -7.592  -1.576
   12    H    ALA   2           HN       ALA   2  48.380  -2.834  -0.963
   13    HA   ALA   2           HA       ALA   2  50.156  -1.360   0.654
   14    HB1  ALA   2           HB1      ALA   2  47.879  -0.628   0.467
   15    HB2  ALA   2           HB2      ALA   2  48.136  -1.085   2.150
   16    HB3  ALA   2           HB3      ALA   2  47.270  -2.172   1.064
   17    H    GLU   3           HN       GLU   3  48.572  -4.486   1.109
   18    HA   GLU   3           HA       GLU   3  48.897  -6.163   2.651
   19    HB2  GLU   3           HB2      GLU   3  51.657  -4.927   2.590
   20    HB3  GLU   3           HB1      GLU   3  51.278  -6.461   3.375
   21    HG2  GLU   3           HG2      GLU   3  50.501  -7.400   1.262
   22    HG3  GLU   3           HG1      GLU   3  50.746  -5.852   0.453
   23    H    ALA   4           HN       ALA   4  47.912  -3.562   3.609
   24    HA   ALA   4           HA       ALA   4  49.120  -3.002   6.146
   25    HB1  ALA   4           HB1      ALA   4  47.641  -1.285   6.252
   26    HB2  ALA   4           HB2      ALA   4  46.275  -2.298   5.789
   27    HB3  ALA   4           HB3      ALA   4  47.360  -1.661   4.552
   28    H    HIS   5           HN       HIS   5  48.477  -3.632   8.187
   29    HA   HIS   5           HA       HIS   5  46.684  -5.980   8.276
   30    HB2  HIS   5           HB2      HIS   5  48.986  -5.172  10.063
   31    HB3  HIS   5           HB1      HIS   5  47.903  -6.523  10.401
   32    HD2  HIS   5           HD2      HIS   5  51.043  -5.788   8.283
   33    HE1  HIS   5           HE1      HIS   5  49.560  -9.528   6.994
   34    HE2  HIS   5           HE2      HIS   5  51.527  -7.926   6.859
   35    H    GLN   6           HN       GLN   6  44.995  -6.047   9.691
   36    HA   GLN   6           HA       GLN   6  43.225  -5.112  10.848
   37    HB2  GLN   6           HB2      GLN   6  44.797  -5.713  12.667
   38    HB3  GLN   6           HB1      GLN   6  45.509  -4.102  12.563
   39    HG2  GLN   6           HG2      GLN   6  43.374  -3.074  13.150
   40    HG3  GLN   6           HG1      GLN   6  42.583  -4.650  13.143
   41   HE21  GLN   6          HE21      GLN   6  42.658  -2.932  15.475
   42   HE22  GLN   6          HE22      GLN   6  43.568  -3.728  16.666
   43    H    ALA   7           HN       ALA   7  42.536  -3.622   9.244
   44    HA   ALA   7           HA       ALA   7  42.837  -0.845  10.090
   45    HB1  ALA   7           HB1      ALA   7  43.049  -0.756   7.270
   46    HB2  ALA   7           HB2      ALA   7  44.265  -1.902   7.837
   47    HB3  ALA   7           HB3      ALA   7  44.248  -0.252   8.462
   48    H    VAL   8           HN       VAL   8  41.158   0.482   9.443
   49    HA   VAL   8           HA       VAL   8  38.914  -0.844   8.046
   50    HB   VAL   8           HB       VAL   8  38.868   0.929  10.486
   51   HG11  VAL   8          HG11      VAL   8  36.307   0.642  10.129
   52   HG12  VAL   8          HG12      VAL   8  36.730   0.311   8.450
   53   HG13  VAL   8          HG13      VAL   8  37.145   1.865   9.171
   54   HG21  VAL   8          HG21      VAL   8  37.242  -1.546  10.160
   55   HG22  VAL   8          HG22      VAL   8  38.090  -0.937  11.581
   56   HG23  VAL   8          HG23      VAL   8  38.986  -1.766  10.308
   57    H    ALA   9           HN       ALA   9  37.940   0.285   6.462
   58    HA   ALA   9           HA       ALA   9  39.252   2.593   5.397
   59    HB1  ALA   9           HB1      ALA   9  37.394   0.673   4.480
   60    HB2  ALA   9           HB2      ALA   9  38.163   1.956   3.545
   61    HB3  ALA   9           HB3      ALA   9  36.606   2.243   4.321
   62    H    PHE  10           HN       PHE  10  36.271   2.032   7.219
   63    HA   PHE  10           HA       PHE  10  36.226   4.892   7.822
   64    HB2  PHE  10           HB2      PHE  10  33.580   4.579   7.510
   65    HB3  PHE  10           HB1      PHE  10  34.644   5.184   6.251
   66    HD1  PHE  10           HD1      PHE  10  34.590   1.595   7.329
   67    HD2  PHE  10           HD2      PHE  10  33.319   4.467   4.393
   68    HE1  PHE  10           HE1      PHE  10  33.971  -0.241   5.805
   69    HE2  PHE  10           HE2      PHE  10  32.681   2.619   2.877
   70    HZ   PHE  10           HZ       PHE  10  33.009   0.265   3.579
   71    H    GLN  11           HN       GLN  11  35.480   5.480   9.782
   72    HA   GLN  11           HA       GLN  11  34.281   3.379  11.494
   73    HB2  GLN  11           HB2      GLN  11  36.535   5.248  12.233
   74    HB3  GLN  11           HB1      GLN  11  35.623   4.305  13.405
   75    HG2  GLN  11           HG2      GLN  11  36.284   2.229  12.227
   76    HG3  GLN  11           HG1      GLN  11  37.224   3.189  11.086
   77   HE21  GLN  11          HE21      GLN  11  39.405   3.084  11.623
   78   HE22  GLN  11          HE22      GLN  11  40.023   3.099  13.204
   79    H    PHE  12           HN       PHE  12  32.556   3.997  12.675
   80    HA   PHE  12           HA       PHE  12  31.963   6.891  12.805
   81    HB2  PHE  12           HB2      PHE  12  30.463   6.077  11.212
   82    HB3  PHE  12           HB1      PHE  12  30.270   4.537  12.032
   83    HD1  PHE  12           HD1      PHE  12  30.076   7.819  13.788
   84    HD2  PHE  12           HD2      PHE  12  27.877   4.554  12.077
   85    HE1  PHE  12           HE1      PHE  12  28.031   8.597  14.927
   86    HE2  PHE  12           HE2      PHE  12  25.821   5.355  13.202
   87    HZ   PHE  12           HZ       PHE  12  25.897   7.378  14.629
   88    H    THR  13           HN       THR  13  31.821   7.588  14.867
   89    HA   THR  13           HA       THR  13  30.917   5.681  16.953
   90    HB   THR  13           HB       THR  13  32.501   7.277  18.391
   91    HG1  THR  13           HG1      THR  13  33.026   7.981  15.939
   92   HG21  THR  13          HG21      THR  13  34.321   5.546  17.970
   93   HG22  THR  13          HG22      THR  13  33.253   4.857  16.747
   94   HG23  THR  13          HG23      THR  13  32.746   4.902  18.436
   95    H    VAL  14           HN       VAL  14  29.353   6.333  18.279
   96    HA   VAL  14           HA       VAL  14  28.369   9.089  17.990
   97    HB   VAL  14           HB       VAL  14  27.129   6.570  19.104
   98   HG11  VAL  14          HG11      VAL  14  26.197   8.226  20.477
   99   HG12  VAL  14          HG12      VAL  14  25.056   8.156  19.134
  100   HG13  VAL  14          HG13      VAL  14  26.254   9.447  19.204
  101   HG21  VAL  14          HG21      VAL  14  25.538   6.966  17.218
  102   HG22  VAL  14          HG22      VAL  14  27.191   6.685  16.673
  103   HG23  VAL  14          HG23      VAL  14  26.539   8.323  16.701
  104    H    THR  15           HN       THR  15  28.698  10.579  19.567
  105    HA   THR  15           HA       THR  15  29.334   9.576  22.277
  106    HB   THR  15           HB       THR  15  30.651  11.799  22.431
  107    HG1  THR  15           HG1      THR  15  31.391  12.501  20.401
  108   HG21  THR  15          HG21      THR  15  32.483  10.549  20.843
  109   HG22  THR  15          HG22      THR  15  31.361   9.226  21.159
  110   HG23  THR  15          HG23      THR  15  32.132  10.069  22.503
  111    HA   PRO  16           HA       PRO  16  25.890  11.915  23.779
  112    HB2  PRO  16           HB2      PRO  16  27.709  13.352  25.647
  113    HB3  PRO  16           HB1      PRO  16  26.241  12.423  25.996
  114    HG2  PRO  16           HG2      PRO  16  28.750  11.522  26.496
  115    HG3  PRO  16           HG1      PRO  16  27.361  10.471  26.184
  116    HD2  PRO  16           HD2      PRO  16  29.695  11.006  24.471
  117    HD3  PRO  16           HD1      PRO  16  28.511   9.684  24.391
  118    H    ASP  17           HN       ASP  17  28.952  13.626  23.128
  119    HA   ASP  17           HA       ASP  17  27.728  16.200  22.825
  120    HB2  ASP  17           HB2      ASP  17  30.445  15.108  22.098
  121    HB3  ASP  17           HB1      ASP  17  29.972  16.785  21.827
  122    H    GLY  18           HN       GLY  18  28.098  13.439  20.669
  123    HA2  GLY  18           HA2      GLY  18  26.476  14.382  18.700
  124    HA3  GLY  18           HA1      GLY  18  28.038  15.074  18.280
  125    H    ILE  19           HN       ILE  19  28.563  13.932  16.487
  126    HA   ILE  19           HA       ILE  19  28.929  11.035  16.785
  127    HB   ILE  19           HB       ILE  19  28.177  10.819  14.431
  128   HG12  ILE  19          HG12      ILE  19  27.287  13.697  14.714
  129   HG13  ILE  19          HG11      ILE  19  28.700  13.196  13.789
  130   HG21  ILE  19          HG21      ILE  19  25.955  12.254  15.831
  131   HG22  ILE  19          HG22      ILE  19  26.628  10.811  16.588
  132   HG23  ILE  19          HG23      ILE  19  25.919  10.711  14.978
  133   HD11  ILE  19          HD11      ILE  19  27.418  12.647  12.032
  134   HD12  ILE  19          HD12      ILE  19  26.023  13.291  12.896
  135   HD13  ILE  19          HD13      ILE  19  26.435  11.582  13.037
  136    H    ASP  20           HN       ASP  20  30.657  10.225  15.652
  137    HA   ASP  20           HA       ASP  20  32.519  12.186  14.445
  138    HB2  ASP  20           HB2      ASP  20  33.150   9.901  16.322
  139    HB3  ASP  20           HB1      ASP  20  34.371  10.756  15.382
  140    H    LEU  21           HN       LEU  21  33.469  11.576  12.521
  141    HA   LEU  21           HA       LEU  21  33.089   8.784  11.672
  142    HB2  LEU  21           HB2      LEU  21  32.502  11.230   9.976
  143    HB3  LEU  21           HB1      LEU  21  32.418   9.554   9.435
  144    HG   LEU  21           HG       LEU  21  30.829   9.429  11.634
  145   HD11  LEU  21          HD11      LEU  21  30.197  12.114  10.389
  146   HD12  LEU  21          HD12      LEU  21  31.151  11.956  11.864
  147   HD13  LEU  21          HD13      LEU  21  29.480  11.392  11.830
  148   HD21  LEU  21          HD21      LEU  21  28.927   9.611  10.021
  149   HD22  LEU  21          HD22      LEU  21  30.239   8.603   9.410
  150   HD23  LEU  21          HD23      LEU  21  30.047  10.253   8.819
  151    H    ARG  22           HN       ARG  22  35.004   8.002  11.229
  152    HA   ARG  22           HA       ARG  22  37.112   9.819  10.195
  153    HB2  ARG  22           HB2      ARG  22  37.352   7.375  11.948
  154    HB3  ARG  22           HB1      ARG  22  38.728   8.179  11.200
  155    HG2  ARG  22           HG2      ARG  22  38.170  10.263  12.344
  156    HG3  ARG  22           HG1      ARG  22  36.730   9.522  13.042
  157    HD2  ARG  22           HD2      ARG  22  38.185   7.856  14.187
  158    HD3  ARG  22           HD1      ARG  22  39.600   8.691  13.548
  159    HE   ARG  22           HE       ARG  22  38.034  10.597  14.868
  160   HH11  ARG  22          HH21      ARG  22  39.829   7.719  15.549
  161   HH12  ARG  22          HH22      ARG  22  40.195   8.171  17.179
  162   HH21  ARG  22          HH11      ARG  22  38.507  11.191  17.003
  163   HH22  ARG  22          HH12      ARG  22  39.446  10.133  18.002
  164    H    LEU  23           HN       LEU  23  38.194   9.320   8.365
  165    HA   LEU  23           HA       LEU  23  37.804   6.634   7.255
  166    HB2  LEU  23           HB2      LEU  23  37.357   9.194   5.696
  167    HB3  LEU  23           HB1      LEU  23  37.306   7.556   5.045
  168    HG   LEU  23           HG       LEU  23  35.538   7.268   7.063
  169   HD11  LEU  23          HD11      LEU  23  35.978   9.823   7.487
  170   HD12  LEU  23          HD12      LEU  23  34.328   9.207   7.558
  171   HD13  LEU  23          HD13      LEU  23  34.896  10.045   6.115
  172   HD21  LEU  23          HD21      LEU  23  33.769   7.578   5.397
  173   HD22  LEU  23          HD22      LEU  23  35.157   6.805   4.636
  174   HD23  LEU  23          HD23      LEU  23  34.858   8.525   4.386
  175    H    SER  24           HN       SER  24  39.575   5.858   6.314
  176    HA   SER  24           HA       SER  24  42.045   7.316   6.541
  177    HB2  SER  24           HB2      SER  24  42.999   5.248   5.452
  178    HB3  SER  24           HB1      SER  24  42.131   4.967   6.959
  179    HG   SER  24           HG       SER  24  40.701   4.910   4.561
  180    H    HIS  25           HN       HIS  25  43.503   7.758   4.826
  181    HA   HIS  25           HA       HIS  25  42.387   9.088   2.612
  182    HB2  HIS  25           HB2      HIS  25  45.192   8.029   3.053
  183    HB3  HIS  25           HB1      HIS  25  44.731   9.124   1.748
  184    HD2  HIS  25           HD2      HIS  25  44.057  11.781   2.602
  185    HE1  HIS  25           HE1      HIS  25  45.346  11.252   6.589
  186    HE2  HIS  25           HE2      HIS  25  44.576  12.961   4.870
  187    H    GLU  26           HN       GLU  26  43.350   5.814   3.147
  188    HA   GLU  26           HA       GLU  26  43.477   4.954   0.432
  189    HB2  GLU  26           HB2      GLU  26  44.447   3.658   2.325
  190    HB3  GLU  26           HB1      GLU  26  42.814   3.305   2.889
  191    HG2  GLU  26           HG2      GLU  26  42.309   2.193   0.741
  192    HG3  GLU  26           HG1      GLU  26  43.939   2.551   0.173
  193    H    ALA  27           HN       ALA  27  40.901   5.110   2.850
  194    HA   ALA  27           HA       ALA  27  38.910   3.732   1.405
  195    HB1  ALA  27           HB1      ALA  27  38.146   6.028   3.151
  196    HB2  ALA  27           HB2      ALA  27  38.981   4.663   3.892
  197    HB3  ALA  27           HB3      ALA  27  37.451   4.411   3.051
  198    H    LEU  28           HN       LEU  28  40.058   7.005   1.331
  199    HA   LEU  28           HA       LEU  28  37.961   8.104  -0.267
  200    HB2  LEU  28           HB2      LEU  28  40.777   9.041   0.311
  201    HB3  LEU  28           HB1      LEU  28  39.646   9.966  -0.676
  202    HG   LEU  28           HG       LEU  28  39.090   9.050   2.168
  203   HD11  LEU  28          HD11      LEU  28  40.595  11.319   1.130
  204   HD12  LEU  28          HD12      LEU  28  40.426  10.753   2.793
  205   HD13  LEU  28          HD13      LEU  28  39.218  11.836   2.102
  206   HD21  LEU  28          HD21      LEU  28  36.964   9.484   1.462
  207   HD22  LEU  28          HD22      LEU  28  37.506  10.412   0.066
  208   HD23  LEU  28          HD23      LEU  28  37.439  11.171   1.655
  209    H    ARG  29           HN       ARG  29  41.095   6.673  -0.989
  210    HA   ARG  29           HA       ARG  29  41.165   7.260  -3.742
  211    HB2  ARG  29           HB2      ARG  29  43.116   6.474  -2.430
  212    HB3  ARG  29           HB1      ARG  29  42.362   4.888  -2.284
  213    HG2  ARG  29           HG2      ARG  29  42.395   4.627  -4.729
  214    HG3  ARG  29           HG1      ARG  29  43.107   6.234  -4.901
  215    HD2  ARG  29           HD2      ARG  29  44.877   4.559  -5.011
  216    HD3  ARG  29           HD1      ARG  29  45.042   5.484  -3.520
  217    HE   ARG  29           HE       ARG  29  43.449   3.160  -3.079
  218   HH11  ARG  29          HH21      ARG  29  46.681   4.278  -3.599
  219   HH12  ARG  29          HH22      ARG  29  47.423   2.951  -2.770
  220   HH21  ARG  29          HH11      ARG  29  44.416   1.416  -1.987
  221   HH22  ARG  29          HH12      ARG  29  46.141   1.326  -1.864
  222    H    GLN  30           HN       GLN  30  39.731   4.539  -1.974
  223    HA   GLN  30           HA       GLN  30  39.038   3.037  -4.294
  224    HB2  GLN  30           HB2      GLN  30  37.985   2.993  -1.462
  225    HB3  GLN  30           HB1      GLN  30  37.493   1.843  -2.706
  226    HG2  GLN  30           HG2      GLN  30  39.858   1.175  -3.008
  227    HG3  GLN  30           HG1      GLN  30  40.330   2.302  -1.738
  228   HE21  GLN  30          HE21      GLN  30  41.067  -0.180  -1.076
  229   HE22  GLN  30          HE22      GLN  30  39.984  -0.922   0.001
  230    H    ILE  31           HN       ILE  31  37.283   5.342  -2.248
  231    HA   ILE  31           HA       ILE  31  34.790   5.071  -3.516
  232    HB   ILE  31           HB       ILE  31  36.013   7.345  -1.956
  233   HG12  ILE  31          HG12      ILE  31  33.760   5.463  -1.227
  234   HG13  ILE  31          HG11      ILE  31  35.449   5.103  -0.863
  235   HG21  ILE  31          HG21      ILE  31  33.370   7.107  -3.351
  236   HG22  ILE  31          HG22      ILE  31  34.409   8.518  -3.156
  237   HG23  ILE  31          HG23      ILE  31  33.442   7.939  -1.798
  238   HD11  ILE  31          HD11      ILE  31  35.535   6.633   0.819
  239   HD12  ILE  31          HD12      ILE  31  33.775   6.522   0.784
  240   HD13  ILE  31          HD13      ILE  31  34.595   7.818  -0.087
  241    H    TYR  32           HN       TYR  32  37.425   7.428  -4.199
  242    HA   TYR  32           HA       TYR  32  35.972   8.846  -6.168
  243    HB2  TYR  32           HB2      TYR  32  37.996   9.758  -5.202
  244    HB3  TYR  32           HB1      TYR  32  38.947   8.420  -5.850
  245    HD1  TYR  32           HD1      TYR  32  36.787  11.293  -6.826
  246    HD2  TYR  32           HD2      TYR  32  39.753   8.449  -8.067
  247    HE1  TYR  32           HE1      TYR  32  37.053  12.509  -8.969
  248    HE2  TYR  32           HE2      TYR  32  40.022   9.663 -10.211
  249    HH   TYR  32           HH       TYR  32  38.193  11.378 -11.590
  250    H    LEU  33           HN       LEU  33  38.319   6.186  -6.488
  251    HA   LEU  33           HA       LEU  33  38.157   5.974  -9.292
  252    HB2  LEU  33           HB2      LEU  33  38.907   3.989  -7.146
  253    HB3  LEU  33           HB1      LEU  33  39.025   3.617  -8.863
  254    HG   LEU  33           HG       LEU  33  40.327   6.055  -7.612
  255   HD11  LEU  33          HD11      LEU  33  41.183   3.908  -6.622
  256   HD12  LEU  33          HD12      LEU  33  42.403   4.820  -7.511
  257   HD13  LEU  33          HD13      LEU  33  41.650   3.405  -8.247
  258   HD21  LEU  33          HD21      LEU  33  40.315   4.769 -10.317
  259   HD22  LEU  33          HD22      LEU  33  41.830   5.467  -9.757
  260   HD23  LEU  33          HD23      LEU  33  40.390   6.475  -9.883
  261    H    SER  34           HN       SER  34  36.304   4.345  -6.712
  262    HA   SER  34           HA       SER  34  34.855   2.589  -8.370
  263    HB2  SER  34           HB2      SER  34  34.924   2.408  -5.903
  264    HB3  SER  34           HB1      SER  34  33.988   3.895  -5.777
  265    HG   SER  34           HG       SER  34  33.164   1.555  -7.167
  266    H    GLY  35           HN       GLY  35  34.361   5.942  -7.450
  267    HA2  GLY  35           HA2      GLY  35  31.778   6.221  -8.654
  268    HA3  GLY  35           HA1      GLY  35  32.834   7.535  -8.137
  269    H    LEU  36           HN       LEU  36  35.097   6.714  -9.663
  270    HA   LEU  36           HA       LEU  36  34.648   8.120 -12.035
  271    HB2  LEU  36           HB2      LEU  36  36.869   7.808 -10.930
  272    HB3  LEU  36           HB1      LEU  36  36.864   6.136 -11.484
  273    HG   LEU  36           HG       LEU  36  36.703   6.934 -13.835
  274   HD11  LEU  36          HD11      LEU  36  35.728   9.036 -13.882
  275   HD12  LEU  36          HD12      LEU  36  37.426   9.497 -13.971
  276   HD13  LEU  36          HD13      LEU  36  36.572   9.576 -12.430
  277   HD21  LEU  36          HD21      LEU  36  38.993   7.492 -14.036
  278   HD22  LEU  36          HD22      LEU  36  38.913   6.594 -12.521
  279   HD23  LEU  36          HD23      LEU  36  39.006   8.354 -12.498
  280    H    HIS  37           HN       HIS  37  34.638   4.664 -11.339
  281    HA   HIS  37           HA       HIS  37  34.304   3.865 -14.089
  282    HB2  HIS  37           HB2      HIS  37  33.886   2.372 -11.488
  283    HB3  HIS  37           HB1      HIS  37  33.768   1.638 -13.087
  284    HD2  HIS  37           HD2      HIS  37  36.438   2.174 -10.471
  285    HE1  HIS  37           HE1      HIS  37  38.531   1.823 -14.121
  286    HE2  HIS  37           HE2      HIS  37  38.772   1.831 -11.593
  287    H    SER  38           HN       SER  38  32.269   4.678 -11.382
  288    HA   SER  38           HA       SER  38  29.817   3.606 -12.308
  289    HB2  SER  38           HB2      SER  38  30.294   6.044 -10.571
  290    HB3  SER  38           HB1      SER  38  28.761   5.202 -10.752
  291    HG   SER  38           HG       SER  38  30.685   3.438 -10.170
  292    H    TRP  39           HN       TRP  39  31.355   6.814 -12.768
  293    HA   TRP  39           HA       TRP  39  29.213   7.895 -14.290
  294    HB2  TRP  39           HB2      TRP  39  30.709   9.431 -13.274
  295    HB3  TRP  39           HB1      TRP  39  32.120   8.634 -13.964
  296    HD1  TRP  39           HD1      TRP  39  28.969  10.524 -15.185
  297    HE1  TRP  39           HE1      TRP  39  29.593  11.827 -17.316
  298    HE3  TRP  39           HE3      TRP  39  33.802   8.984 -15.774
  299    HZ2  TRP  39           HZ2      TRP  39  31.847  12.174 -19.044
  300    HZ3  TRP  39           HZ3      TRP  39  35.164   9.818 -17.668
  301    HH2  TRP  39           HH2      TRP  39  34.192  11.409 -19.304
  302    H    LYS  40           HN       LYS  40  32.127   6.079 -15.107
  303    HA   LYS  40           HA       LYS  40  31.093   5.802 -17.857
  304    HB2  LYS  40           HB2      LYS  40  32.868   7.519 -17.831
  305    HB3  LYS  40           HB1      LYS  40  33.975   6.346 -17.123
  306    HG2  LYS  40           HG2      LYS  40  33.745   4.906 -19.100
  307    HG3  LYS  40           HG1      LYS  40  32.586   6.039 -19.802
  308    HD2  LYS  40           HD2      LYS  40  34.310   7.810 -19.783
  309    HD3  LYS  40           HD1      LYS  40  35.467   6.668 -19.103
  310    HE2  LYS  40           HE2      LYS  40  35.259   5.246 -21.099
  311    HE3  LYS  40           HE1      LYS  40  34.076   6.366 -21.778
  312    HZ1  LYS  40           HZ1      LYS  40  36.177   6.898 -22.706
  313    HZ2  LYS  40           HZ2      LYS  40  36.931   6.905 -21.184
  314    HZ3  LYS  40           HZ3      LYS  40  35.813   8.119 -21.586
  315    H    LYS  41           HN       LYS  41  31.130   3.781 -18.618
  316    HA   LYS  41           HA       LYS  41  31.960   1.634 -16.900
  317    HB2  LYS  41           HB2      LYS  41  29.991   1.749 -18.640
  318    HB3  LYS  41           HB1      LYS  41  31.230   1.240 -19.786
  319    HG2  LYS  41           HG2      LYS  41  31.718  -0.738 -18.452
  320    HG3  LYS  41           HG1      LYS  41  30.606  -0.205 -17.191
  321    HD2  LYS  41           HD2      LYS  41  28.728  -0.335 -18.780
  322    HD3  LYS  41           HD1      LYS  41  29.833  -0.882 -20.043
  323    HE2  LYS  41           HE2      LYS  41  30.405  -2.864 -18.694
  324    HE3  LYS  41           HE1      LYS  41  29.318  -2.314 -17.419
  325    HZ1  LYS  41           HZ1      LYS  41  27.930  -2.302 -19.854
  326    HZ2  LYS  41           HZ2      LYS  41  27.636  -3.250 -18.475
  327    HZ3  LYS  41           HZ3      LYS  41  28.687  -3.811 -19.687
  328    H    LYS  42           HN       LYS  42  33.809   0.537 -16.905
  329    HA   LYS  42           HA       LYS  42  35.489   0.172 -19.164
  330    HB2  LYS  42           HB2      LYS  42  35.981   2.572 -18.743
  331    HB3  LYS  42           HB1      LYS  42  36.488   2.160 -17.105
  332    HG2  LYS  42           HG2      LYS  42  38.261   0.708 -17.991
  333    HG3  LYS  42           HG1      LYS  42  37.732   1.049 -19.639
  334    HD2  LYS  42           HD2      LYS  42  38.229   3.449 -19.299
  335    HD3  LYS  42           HD1      LYS  42  38.778   3.097 -17.660
  336    HE2  LYS  42           HE2      LYS  42  40.557   1.667 -18.518
  337    HE3  LYS  42           HE1      LYS  42  39.975   1.886 -20.167
  338    HZ1  LYS  42           HZ1      LYS  42  40.327   4.341 -19.759
  339    HZ2  LYS  42           HZ2      LYS  42  41.730   3.394 -19.916
  340    HZ3  LYS  42           HZ3      LYS  42  41.205   3.898 -18.379
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  49.228   6.603  18.472
    2    H2   MET   1           HT2      MET   1  47.844   7.011  19.371
    3    H3   MET   1           HT3      MET   1  48.026   7.580  17.783
    4    HA   MET   1           HA       MET   1  46.618   5.392  18.482
    5    HB2  MET   1           HB2      MET   1  48.027   6.085  15.888
    6    HB3  MET   1           HB1      MET   1  46.759   4.869  16.020
    7    HG2  MET   1           HG2      MET   1  46.437   7.779  16.807
    8    HG3  MET   1           HG1      MET   1  45.894   7.097  15.277
    9    HE1  MET   1           HE1      MET   1  42.987   5.030  15.844
   10    HE2  MET   1           HE2      MET   1  44.431   4.108  16.247
   11    HE3  MET   1           HE3      MET   1  44.488   5.301  14.951
   12    H    ALA   2           HN       ALA   2  46.906   3.207  18.611
   13    HA   ALA   2           HA       ALA   2  49.454   2.201  19.297
   14    HB1  ALA   2           HB1      ALA   2  47.197   1.271  19.996
   15    HB2  ALA   2           HB2      ALA   2  48.395   0.073  19.503
   16    HB3  ALA   2           HB3      ALA   2  47.100   0.535  18.398
   17    H    GLU   3           HN       GLU   3  47.583   2.040  16.285
   18    HA   GLU   3           HA       GLU   3  49.961   0.865  14.962
   19    HB2  GLU   3           HB2      GLU   3  47.024   0.606  14.274
   20    HB3  GLU   3           HB1      GLU   3  48.339   0.048  13.238
   21    HG2  GLU   3           HG2      GLU   3  49.122  -1.483  14.942
   22    HG3  GLU   3           HG1      GLU   3  47.964  -0.844  16.109
   23    H    ALA   4           HN       ALA   4  50.852   1.941  13.280
   24    HA   ALA   4           HA       ALA   4  50.229   4.664  12.854
   25    HB1  ALA   4           HB1      ALA   4  51.671   4.196  10.693
   26    HB2  ALA   4           HB2      ALA   4  51.995   2.660  11.499
   27    HB3  ALA   4           HB3      ALA   4  52.425   4.180  12.286
   28    H    HIS   5           HN       HIS   5  49.354   1.711  11.137
   29    HA   HIS   5           HA       HIS   5  47.772   3.280   9.214
   30    HB2  HIS   5           HB2      HIS   5  48.502   0.342   9.245
   31    HB3  HIS   5           HB1      HIS   5  47.594   1.159   7.970
   32    HD2  HIS   5           HD2      HIS   5  51.276   0.710   9.115
   33    HE1  HIS   5           HE1      HIS   5  51.297   3.513   5.959
   34    HE2  HIS   5           HE2      HIS   5  52.762   2.095   7.472
   35    H    GLN   6           HN       GLN   6  45.608   3.344   9.303
   36    HA   GLN   6           HA       GLN   6  44.226   2.284  11.555
   37    HB2  GLN   6           HB2      GLN   6  43.210   3.530   8.991
   38    HB3  GLN   6           HB1      GLN   6  42.181   3.095  10.354
   39    HG2  GLN   6           HG2      GLN   6  43.481   4.574  11.827
   40    HG3  GLN   6           HG1      GLN   6  44.536   4.999  10.482
   41   HE21  GLN   6          HE21      GLN   6  43.988   7.113   9.895
   42   HE22  GLN   6          HE22      GLN   6  42.400   7.669   9.664
   43    H    ALA   7           HN       ALA   7  43.204   0.425  11.832
   44    HA   ALA   7           HA       ALA   7  43.405  -1.637   9.829
   45    HB1  ALA   7           HB1      ALA   7  41.749  -2.537  11.901
   46    HB2  ALA   7           HB2      ALA   7  42.912  -1.461  12.674
   47    HB3  ALA   7           HB3      ALA   7  43.480  -2.835  11.722
   48    H    VAL   8           HN       VAL   8  41.187   0.813  10.463
   49    HA   VAL   8           HA       VAL   8  39.067  -0.675   9.041
   50    HB   VAL   8           HB       VAL   8  38.831   1.240  11.354
   51   HG11  VAL   8          HG11      VAL   8  37.070   2.011  10.036
   52   HG12  VAL   8          HG12      VAL   8  36.292   0.679  10.893
   53   HG13  VAL   8          HG13      VAL   8  36.855   0.455   9.237
   54   HG21  VAL   8          HG21      VAL   8  39.184  -1.365  11.485
   55   HG22  VAL   8          HG22      VAL   8  37.489  -1.429  11.009
   56   HG23  VAL   8          HG23      VAL   8  37.955  -0.607  12.498
   57    H    ALA   9           HN       ALA   9  38.220   0.213   7.315
   58    HA   ALA   9           HA       ALA   9  39.449   2.504   6.132
   59    HB1  ALA   9           HB1      ALA   9  37.098   1.950   4.723
   60    HB2  ALA   9           HB2      ALA   9  37.633   0.391   5.344
   61    HB3  ALA   9           HB3      ALA   9  38.720   1.362   4.347
   62    H    PHE  10           HN       PHE  10  36.259   1.855   7.570
   63    HA   PHE  10           HA       PHE  10  35.888   4.761   7.827
   64    HB2  PHE  10           HB2      PHE  10  34.515   4.201   5.972
   65    HB3  PHE  10           HB1      PHE  10  33.941   2.733   6.746
   66    HD1  PHE  10           HD1      PHE  10  34.202   5.989   8.570
   67    HD2  PHE  10           HD2      PHE  10  31.606   3.245   6.512
   68    HE1  PHE  10           HE1      PHE  10  32.240   7.179   9.457
   69    HE2  PHE  10           HE2      PHE  10  29.637   4.457   7.403
   70    HZ   PHE  10           HZ       PHE  10  29.955   6.422   8.876
   71    H    GLN  11           HN       GLN  11  35.349   5.362   9.850
   72    HA   GLN  11           HA       GLN  11  34.114   3.349  11.647
   73    HB2  GLN  11           HB2      GLN  11  36.540   3.584  12.124
   74    HB3  GLN  11           HB1      GLN  11  36.276   5.295  12.437
   75    HG2  GLN  11           HG2      GLN  11  34.672   4.719  14.229
   76    HG3  GLN  11           HG1      GLN  11  34.971   3.008  13.928
   77   HE21  GLN  11          HE21      GLN  11  35.523   4.378  16.433
   78   HE22  GLN  11          HE22      GLN  11  37.199   4.301  16.689
   79    H    PHE  12           HN       PHE  12  32.462   4.026  12.859
   80    HA   PHE  12           HA       PHE  12  31.912   6.927  12.956
   81    HB2  PHE  12           HB2      PHE  12  30.434   6.160  11.336
   82    HB3  PHE  12           HB1      PHE  12  30.198   4.615  12.128
   83    HD1  PHE  12           HD1      PHE  12  30.018   7.882  13.913
   84    HD2  PHE  12           HD2      PHE  12  27.821   4.657  12.118
   85    HE1  PHE  12           HE1      PHE  12  27.940   8.681  14.992
   86    HE2  PHE  12           HE2      PHE  12  25.742   5.482  13.180
   87    HZ   PHE  12           HZ       PHE  12  25.804   7.499  14.615
   88    H    THR  13           HN       THR  13  31.753   7.609  15.033
   89    HA   THR  13           HA       THR  13  30.733   5.687  17.051
   90    HB   THR  13           HB       THR  13  32.684   7.712  17.947
   91    HG1  THR  13           HG1      THR  13  34.022   7.042  16.443
   92   HG21  THR  13          HG21      THR  13  31.435   5.882  19.288
   93   HG22  THR  13          HG22      THR  13  33.168   6.069  19.562
   94   HG23  THR  13          HG23      THR  13  32.573   4.765  18.538
   95    H    VAL  14           HN       VAL  14  29.205   6.363  18.354
   96    HA   VAL  14           HA       VAL  14  28.323   9.156  18.131
   97    HB   VAL  14           HB       VAL  14  26.951   6.643  19.098
   98   HG11  VAL  14          HG11      VAL  14  26.331   9.518  19.572
   99   HG12  VAL  14          HG12      VAL  14  25.929   8.104  20.547
  100   HG13  VAL  14          HG13      VAL  14  24.982   8.487  19.107
  101   HG21  VAL  14          HG21      VAL  14  27.063   6.946  16.682
  102   HG22  VAL  14          HG22      VAL  14  26.460   8.597  16.827
  103   HG23  VAL  14          HG23      VAL  14  25.409   7.238  17.220
  104    H    THR  15           HN       THR  15  28.658  10.589  19.741
  105    HA   THR  15           HA       THR  15  29.251   9.499  22.421
  106    HB   THR  15           HB       THR  15  31.286  10.437  22.254
  107    HG1  THR  15           HG1      THR  15  29.904  12.195  23.187
  108   HG21  THR  15          HG21      THR  15  30.252  11.855  19.780
  109   HG22  THR  15          HG22      THR  15  31.124  10.320  19.813
  110   HG23  THR  15          HG23      THR  15  31.939  11.808  20.291
  111    HA   PRO  16           HA       PRO  16  26.013  11.988  24.124
  112    HB2  PRO  16           HB2      PRO  16  28.069  13.348  25.815
  113    HB3  PRO  16           HB1      PRO  16  26.559  12.558  26.301
  114    HG2  PRO  16           HG2      PRO  16  28.979  11.437  26.665
  115    HG3  PRO  16           HG1      PRO  16  27.511  10.492  26.379
  116    HD2  PRO  16           HD2      PRO  16  29.810  10.939  24.580
  117    HD3  PRO  16           HD1      PRO  16  28.574   9.661  24.557
  118    H    ASP  17           HN       ASP  17  29.084  13.691  23.393
  119    HA   ASP  17           HA       ASP  17  27.846  16.246  23.077
  120    HB2  ASP  17           HB2      ASP  17  30.540  15.165  22.260
  121    HB3  ASP  17           HB1      ASP  17  30.064  16.855  22.109
  122    H    GLY  18           HN       GLY  18  28.145  13.479  20.904
  123    HA2  GLY  18           HA2      GLY  18  26.510  14.435  18.961
  124    HA3  GLY  18           HA1      GLY  18  28.058  15.143  18.523
  125    H    ILE  19           HN       ILE  19  28.625  14.011  16.726
  126    HA   ILE  19           HA       ILE  19  28.994  11.115  17.006
  127    HB   ILE  19           HB       ILE  19  28.275  10.903  14.640
  128   HG12  ILE  19          HG12      ILE  19  27.199  13.712  14.940
  129   HG13  ILE  19          HG11      ILE  19  28.703  13.354  14.097
  130   HG21  ILE  19          HG21      ILE  19  26.186  10.436  15.384
  131   HG22  ILE  19          HG22      ILE  19  25.865  12.133  15.728
  132   HG23  ILE  19          HG23      ILE  19  26.690  11.136  16.924
  133   HD11  ILE  19          HD11      ILE  19  26.090  13.259  13.032
  134   HD12  ILE  19          HD12      ILE  19  26.621  11.585  13.162
  135   HD13  ILE  19          HD13      ILE  19  27.583  12.745  12.247
  136    H    ASP  20           HN       ASP  20  30.682  10.299  15.807
  137    HA   ASP  20           HA       ASP  20  32.577  12.250  14.623
  138    HB2  ASP  20           HB2      ASP  20  33.263  11.515  16.928
  139    HB3  ASP  20           HB1      ASP  20  33.353   9.870  16.315
  140    H    LEU  21           HN       LEU  21  33.570  11.585  12.744
  141    HA   LEU  21           HA       LEU  21  33.169   8.792  11.928
  142    HB2  LEU  21           HB2      LEU  21  32.546  11.229  10.232
  143    HB3  LEU  21           HB1      LEU  21  32.564   9.568   9.647
  144    HG   LEU  21           HG       LEU  21  30.871   9.201  11.675
  145   HD11  LEU  21          HD11      LEU  21  29.688  11.053  12.383
  146   HD12  LEU  21          HD12      LEU  21  29.957  11.929  10.878
  147   HD13  LEU  21          HD13      LEU  21  31.237  11.833  12.081
  148   HD21  LEU  21          HD21      LEU  21  30.345   8.757   9.323
  149   HD22  LEU  21          HD22      LEU  21  30.159  10.484   9.014
  150   HD23  LEU  21          HD23      LEU  21  29.013   9.644  10.063
  151    H    ARG  22           HN       ARG  22  35.000   7.946  11.276
  152    HA   ARG  22           HA       ARG  22  37.159   9.737  10.295
  153    HB2  ARG  22           HB2      ARG  22  37.678   8.810  12.510
  154    HB3  ARG  22           HB1      ARG  22  37.480   7.181  11.871
  155    HG2  ARG  22           HG2      ARG  22  39.332   7.533  10.306
  156    HG3  ARG  22           HG1      ARG  22  39.499   9.202  10.855
  157    HD2  ARG  22           HD2      ARG  22  39.784   6.772  12.638
  158    HD3  ARG  22           HD1      ARG  22  41.137   7.655  11.930
  159    HE   ARG  22           HE       ARG  22  39.572   9.536  13.261
  160   HH11  ARG  22          HH21      ARG  22  41.318   6.650  13.952
  161   HH12  ARG  22          HH22      ARG  22  41.756   7.125  15.560
  162   HH21  ARG  22          HH11      ARG  22  40.145  10.187  15.372
  163   HH22  ARG  22          HH12      ARG  22  41.102   9.135  16.360
  164    H    LEU  23           HN       LEU  23  38.176   9.257   8.436
  165    HA   LEU  23           HA       LEU  23  37.708   6.608   7.270
  166    HB2  LEU  23           HB2      LEU  23  37.262   9.230   5.805
  167    HB3  LEU  23           HB1      LEU  23  37.218   7.623   5.076
  168    HG   LEU  23           HG       LEU  23  35.451   7.211   7.051
  169   HD11  LEU  23          HD11      LEU  23  34.876  10.080   6.320
  170   HD12  LEU  23          HD12      LEU  23  35.847   9.686   7.734
  171   HD13  LEU  23          HD13      LEU  23  34.183   9.121   7.627
  172   HD21  LEU  23          HD21      LEU  23  35.098   8.381   4.301
  173   HD22  LEU  23          HD22      LEU  23  33.684   8.114   5.322
  174   HD23  LEU  23          HD23      LEU  23  34.717   6.756   4.870
  175    H    SER  24           HN       SER  24  39.485   5.812   6.294
  176    HA   SER  24           HA       SER  24  41.974   7.247   6.514
  177    HB2  SER  24           HB2      SER  24  41.230   4.519   5.484
  178    HB3  SER  24           HB1      SER  24  42.857   5.160   5.279
  179    HG   SER  24           HG       SER  24  42.453   3.918   7.251
  180    H    HIS  25           HN       HIS  25  43.395   7.801   4.836
  181    HA   HIS  25           HA       HIS  25  42.325   9.181   2.661
  182    HB2  HIS  25           HB2      HIS  25  45.032   8.298   3.488
  183    HB3  HIS  25           HB1      HIS  25  44.833   8.702   1.779
  184    HD2  HIS  25           HD2      HIS  25  45.337  10.531   5.104
  185    HE1  HIS  25           HE1      HIS  25  43.911  13.416   2.376
  186    HE2  HIS  25           HE2      HIS  25  44.991  13.078   4.648
  187    H    GLU  26           HN       GLU  26  43.217   5.862   3.026
  188    HA   GLU  26           HA       GLU  26  43.262   5.154   0.258
  189    HB2  GLU  26           HB2      GLU  26  44.262   3.734   2.045
  190    HB3  GLU  26           HB1      GLU  26  42.635   3.376   2.624
  191    HG2  GLU  26           HG2      GLU  26  42.042   2.366   0.491
  192    HG3  GLU  26           HG1      GLU  26  43.603   2.820  -0.193
  193    H    ALA  27           HN       ALA  27  40.778   5.257   2.749
  194    HA   ALA  27           HA       ALA  27  38.716   3.931   1.392
  195    HB1  ALA  27           HB1      ALA  27  38.999   5.375   3.798
  196    HB2  ALA  27           HB2      ALA  27  37.611   4.420   3.278
  197    HB3  ALA  27           HB3      ALA  27  37.680   6.145   2.915
  198    H    LEU  28           HN       LEU  28  39.892   7.192   1.255
  199    HA   LEU  28           HA       LEU  28  37.833   8.292  -0.399
  200    HB2  LEU  28           HB2      LEU  28  40.601   9.131   0.388
  201    HB3  LEU  28           HB1      LEU  28  39.779   9.974  -0.922
  202    HG   LEU  28           HG       LEU  28  37.846  10.393   0.597
  203   HD11  LEU  28          HD11      LEU  28  39.668   9.014   2.585
  204   HD12  LEU  28          HD12      LEU  28  38.011   8.579   2.157
  205   HD13  LEU  28          HD13      LEU  28  38.328  10.050   3.075
  206   HD21  LEU  28          HD21      LEU  28  39.443  12.161   0.413
  207   HD22  LEU  28          HD22      LEU  28  40.600  11.319   1.448
  208   HD23  LEU  28          HD23      LEU  28  39.116  11.983   2.134
  209    H    ARG  29           HN       ARG  29  40.961   6.813  -1.015
  210    HA   ARG  29           HA       ARG  29  41.092   7.340  -3.776
  211    HB2  ARG  29           HB2      ARG  29  42.352   5.200  -2.067
  212    HB3  ARG  29           HB1      ARG  29  42.699   5.381  -3.789
  213    HG2  ARG  29           HG2      ARG  29  43.412   7.708  -3.407
  214    HG3  ARG  29           HG1      ARG  29  43.063   7.535  -1.688
  215    HD2  ARG  29           HD2      ARG  29  44.734   5.741  -1.516
  216    HD3  ARG  29           HD1      ARG  29  45.073   5.878  -3.239
  217    HE   ARG  29           HE       ARG  29  45.901   7.733  -1.145
  218   HH11  ARG  29          HH21      ARG  29  45.466   7.098  -4.528
  219   HH12  ARG  29          HH22      ARG  29  46.671   8.239  -5.027
  220   HH21  ARG  29          HH11      ARG  29  47.477   9.207  -1.796
  221   HH22  ARG  29          HH12      ARG  29  47.805   9.433  -3.482
  222    H    GLN  30           HN       GLN  30  39.637   4.593  -2.030
  223    HA   GLN  30           HA       GLN  30  39.124   3.078  -4.402
  224    HB2  GLN  30           HB2      GLN  30  37.825   2.977  -1.667
  225    HB3  GLN  30           HB1      GLN  30  37.527   1.812  -2.954
  226    HG2  GLN  30           HG2      GLN  30  39.885   1.176  -2.974
  227    HG3  GLN  30           HG1      GLN  30  40.251   2.405  -1.767
  228   HE21  GLN  30          HE21      GLN  30  39.532  -0.888  -2.101
  229   HE22  GLN  30          HE22      GLN  30  39.024  -1.190  -0.510
  230    H    ILE  31           HN       ILE  31  37.283   5.347  -2.442
  231    HA   ILE  31           HA       ILE  31  34.837   5.087  -3.781
  232    HB   ILE  31           HB       ILE  31  36.046   7.348  -2.198
  233   HG12  ILE  31          HG12      ILE  31  35.251   4.989  -1.275
  234   HG13  ILE  31          HG11      ILE  31  34.890   6.469  -0.388
  235   HG21  ILE  31          HG21      ILE  31  33.573   8.115  -2.128
  236   HG22  ILE  31          HG22      ILE  31  33.372   7.121  -3.571
  237   HG23  ILE  31          HG23      ILE  31  34.504   8.474  -3.580
  238   HD11  ILE  31          HD11      ILE  31  32.944   4.801  -0.803
  239   HD12  ILE  31          HD12      ILE  31  32.970   5.396  -2.459
  240   HD13  ILE  31          HD13      ILE  31  32.647   6.508  -1.130
  241    H    TYR  32           HN       TYR  32  37.493   7.441  -4.396
  242    HA   TYR  32           HA       TYR  32  36.125   8.861  -6.409
  243    HB2  TYR  32           HB2      TYR  32  38.130   9.767  -5.401
  244    HB3  TYR  32           HB1      TYR  32  39.088   8.405  -5.988
  245    HD1  TYR  32           HD1      TYR  32  36.904  11.204  -7.168
  246    HD2  TYR  32           HD2      TYR  32  40.090   8.483  -8.119
  247    HE1  TYR  32           HE1      TYR  32  37.249  12.364  -9.328
  248    HE2  TYR  32           HE2      TYR  32  40.434   9.646 -10.282
  249    HH   TYR  32           HH       TYR  32  38.423  12.452 -11.196
  250    H    LEU  33           HN       LEU  33  38.401   6.134  -6.647
  251    HA   LEU  33           HA       LEU  33  38.291   5.926  -9.460
  252    HB2  LEU  33           HB2      LEU  33  38.972   3.918  -7.309
  253    HB3  LEU  33           HB1      LEU  33  39.126   3.564  -9.029
  254    HG   LEU  33           HG       LEU  33  40.444   5.927  -7.658
  255   HD11  LEU  33          HD11      LEU  33  42.507   4.701  -7.682
  256   HD12  LEU  33          HD12      LEU  33  41.769   3.360  -8.560
  257   HD13  LEU  33          HD13      LEU  33  41.307   3.679  -6.889
  258   HD21  LEU  33          HD21      LEU  33  40.198   4.996 -10.443
  259   HD22  LEU  33          HD22      LEU  33  41.854   5.343  -9.946
  260   HD23  LEU  33          HD23      LEU  33  40.617   6.589  -9.820
  261    H    SER  34           HN       SER  34  36.384   4.307  -6.919
  262    HA   SER  34           HA       SER  34  34.953   2.570  -8.612
  263    HB2  SER  34           HB2      SER  34  33.279   2.530  -6.798
  264    HB3  SER  34           HB1      SER  34  34.918   2.360  -6.172
  265    HG   SER  34           HG       SER  34  34.804   4.745  -5.945
  266    H    GLY  35           HN       GLY  35  34.507   5.936  -7.762
  267    HA2  GLY  35           HA2      GLY  35  31.931   6.223  -8.973
  268    HA3  GLY  35           HA1      GLY  35  33.001   7.536  -8.476
  269    H    LEU  36           HN       LEU  36  35.260   6.665 -10.009
  270    HA   LEU  36           HA       LEU  36  34.818   8.035 -12.400
  271    HB2  LEU  36           HB2      LEU  36  37.050   7.675 -11.340
  272    HB3  LEU  36           HB1      LEU  36  36.967   5.986 -11.829
  273    HG   LEU  36           HG       LEU  36  36.820   6.680 -14.203
  274   HD11  LEU  36          HD11      LEU  36  37.628   9.246 -14.395
  275   HD12  LEU  36          HD12      LEU  36  36.672   9.362 -12.919
  276   HD13  LEU  36          HD13      LEU  36  35.925   8.791 -14.408
  277   HD21  LEU  36          HD21      LEU  36  39.079   6.675 -14.278
  278   HD22  LEU  36          HD22      LEU  36  39.051   6.769 -12.518
  279   HD23  LEU  36          HD23      LEU  36  39.167   8.244 -13.482
  280    H    HIS  37           HN       HIS  37  34.744   4.581 -11.652
  281    HA   HIS  37           HA       HIS  37  34.365   3.744 -14.381
  282    HB2  HIS  37           HB2      HIS  37  34.328   2.429 -11.700
  283    HB3  HIS  37           HB1      HIS  37  33.509   1.619 -13.037
  284    HD2  HIS  37           HD2      HIS  37  35.207   0.446 -14.922
  285    HE1  HIS  37           HE1      HIS  37  38.843   1.814 -13.263
  286    HE2  HIS  37           HE2      HIS  37  37.815   0.306 -15.027
  287    H    SER  38           HN       SER  38  32.346   4.564 -11.657
  288    HA   SER  38           HA       SER  38  29.886   3.501 -12.539
  289    HB2  SER  38           HB2      SER  38  30.487   5.897 -10.794
  290    HB3  SER  38           HB1      SER  38  28.879   5.213 -11.011
  291    HG   SER  38           HG       SER  38  30.848   4.412  -9.386
  292    H    TRP  39           HN       TRP  39  31.364   6.749 -13.084
  293    HA   TRP  39           HA       TRP  39  29.145   7.725 -14.585
  294    HB2  TRP  39           HB2      TRP  39  32.049   8.547 -14.475
  295    HB3  TRP  39           HB1      TRP  39  30.836   9.406 -15.421
  296    HD1  TRP  39           HD1      TRP  39  32.295   9.272 -12.051
  297    HE1  TRP  39           HE1      TRP  39  30.863  10.629 -10.391
  298    HE3  TRP  39           HE3      TRP  39  28.116   9.971 -14.881
  299    HZ2  TRP  39           HZ2      TRP  39  28.282  11.857 -10.285
  300    HZ3  TRP  39           HZ3      TRP  39  26.185  11.240 -13.984
  301    HH2  TRP  39           HH2      TRP  39  26.264  12.183 -11.692
  302    H    LYS  40           HN       LYS  40  32.092   5.983 -15.382
  303    HA   LYS  40           HA       LYS  40  31.779   6.220 -18.232
  304    HB2  LYS  40           HB2      LYS  40  33.985   5.904 -17.154
  305    HB3  LYS  40           HB1      LYS  40  33.474   4.309 -16.603
  306    HG2  LYS  40           HG2      LYS  40  33.161   3.595 -18.949
  307    HG3  LYS  40           HG1      LYS  40  33.677   5.191 -19.502
  308    HD2  LYS  40           HD2      LYS  40  35.864   4.861 -18.404
  309    HD3  LYS  40           HD1      LYS  40  35.349   3.261 -17.867
  310    HE2  LYS  40           HE2      LYS  40  36.688   3.030 -19.892
  311    HE3  LYS  40           HE1      LYS  40  35.015   2.603 -20.249
  312    HZ1  LYS  40           HZ1      LYS  40  36.262   4.180 -21.826
  313    HZ2  LYS  40           HZ2      LYS  40  35.966   5.366 -20.643
  314    HZ3  LYS  40           HZ3      LYS  40  34.667   4.563 -21.391
  315    H    LYS  41           HN       LYS  41  30.691   4.933 -19.598
  316    HA   LYS  41           HA       LYS  41  29.028   2.812 -18.502
  317    HB2  LYS  41           HB2      LYS  41  29.304   3.945 -21.300
  318    HB3  LYS  41           HB1      LYS  41  28.176   2.661 -20.860
  319    HG2  LYS  41           HG2      LYS  41  27.098   4.151 -19.221
  320    HG3  LYS  41           HG1      LYS  41  28.230   5.437 -19.633
  321    HD2  LYS  41           HD2      LYS  41  27.397   5.394 -21.979
  322    HD3  LYS  41           HD1      LYS  41  26.231   4.150 -21.522
  323    HE2  LYS  41           HE2      LYS  41  25.189   5.687 -19.911
  324    HE3  LYS  41           HE1      LYS  41  26.376   6.927 -20.308
  325    HZ1  LYS  41           HZ1      LYS  41  24.111   6.999 -21.469
  326    HZ2  LYS  41           HZ2      LYS  41  24.697   5.710 -22.409
  327    HZ3  LYS  41           HZ3      LYS  41  25.500   7.207 -22.419
  328    H    LYS  42           HN       LYS  42  29.344   0.651 -18.787
  329    HA   LYS  42           HA       LYS  42  30.609  -1.258 -19.083
  330    HB2  LYS  42           HB2      LYS  42  29.530  -0.908 -21.311
  331    HB3  LYS  42           HB1      LYS  42  30.974  -0.046 -21.837
  332    HG2  LYS  42           HG2      LYS  42  32.339  -2.046 -21.428
  333    HG3  LYS  42           HG1      LYS  42  30.921  -2.904 -20.831
  334    HD2  LYS  42           HD2      LYS  42  29.840  -2.640 -23.041
  335    HD3  LYS  42           HD1      LYS  42  31.284  -1.812 -23.635
  336    HE2  LYS  42           HE2      LYS  42  32.640  -3.800 -23.175
  337    HE3  LYS  42           HE1      LYS  42  31.230  -4.632 -22.527
  338    HZ1  LYS  42           HZ1      LYS  42  30.455  -3.726 -24.996
  339    HZ2  LYS  42           HZ2      LYS  42  30.859  -5.325 -24.582
  340    HZ3  LYS  42           HZ3      LYS  42  32.036  -4.289 -25.233
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1  54.007  -1.571   6.848
    2    H2   MET   1           HT2      MET   1  53.482  -2.216   5.365
    3    H3   MET   1           HT3      MET   1  53.847  -3.250   6.663
    4    HA   MET   1           HA       MET   1  52.006  -2.310   7.934
    5    HB2  MET   1           HB2      MET   1  51.581  -0.793   5.347
    6    HB3  MET   1           HB1      MET   1  50.376  -0.906   6.629
    7    HG2  MET   1           HG2      MET   1  53.184   0.148   7.033
    8    HG3  MET   1           HG1      MET   1  51.787   1.180   6.751
    9    HE1  MET   1           HE1      MET   1  49.340  -0.201   9.055
   10    HE2  MET   1           HE2      MET   1  49.740   0.990   7.821
   11    HE3  MET   1           HE3      MET   1  49.778   1.446   9.521
   12    H    ALA   2           HN       ALA   2  51.167  -4.285   8.057
   13    HA   ALA   2           HA       ALA   2  50.604  -5.914   5.774
   14    HB1  ALA   2           HB1      ALA   2  49.316  -6.486   8.398
   15    HB2  ALA   2           HB2      ALA   2  51.078  -6.502   8.337
   16    HB3  ALA   2           HB3      ALA   2  50.151  -7.575   7.289
   17    H    GLU   3           HN       GLU   3  48.597  -6.550   4.952
   18    HA   GLU   3           HA       GLU   3  46.644  -4.528   4.695
   19    HB2  GLU   3           HB2      GLU   3  46.518  -7.499   4.119
   20    HB3  GLU   3           HB1      GLU   3  45.279  -6.344   3.637
   21    HG2  GLU   3           HG2      GLU   3  46.614  -6.472   1.718
   22    HG3  GLU   3           HG1      GLU   3  47.264  -5.050   2.524
   23    H    ALA   4           HN       ALA   4  46.837  -7.373   6.803
   24    HA   ALA   4           HA       ALA   4  44.212  -7.364   7.776
   25    HB1  ALA   4           HB1      ALA   4  46.725  -8.601   8.479
   26    HB2  ALA   4           HB2      ALA   4  45.082  -9.179   8.759
   27    HB3  ALA   4           HB3      ALA   4  45.853  -8.107   9.929
   28    H    HIS   5           HN       HIS   5  46.976  -5.351   8.616
   29    HA   HIS   5           HA       HIS   5  45.930  -4.267  11.028
   30    HB2  HIS   5           HB2      HIS   5  48.324  -4.080  10.301
   31    HB3  HIS   5           HB1      HIS   5  47.821  -2.913   9.080
   32    HD2  HIS   5           HD2      HIS   5  48.959  -2.881  12.701
   33    HE1  HIS   5           HE1      HIS   5  46.807   0.716  12.186
   34    HE2  HIS   5           HE2      HIS   5  48.410  -0.537  13.705
   35    H    GLN   6           HN       GLN   6  45.659  -3.317   7.628
   36    HA   GLN   6           HA       GLN   6  44.030  -0.992   8.310
   37    HB2  GLN   6           HB2      GLN   6  44.955  -2.126   5.664
   38    HB3  GLN   6           HB1      GLN   6  43.962  -0.675   5.825
   39    HG2  GLN   6           HG2      GLN   6  45.708   0.383   7.198
   40    HG3  GLN   6           HG1      GLN   6  46.700  -1.068   7.075
   41   HE21  GLN   6          HE21      GLN   6  48.109   0.920   6.091
   42   HE22  GLN   6          HE22      GLN   6  48.025   1.043   4.400
   43    H    ALA   7           HN       ALA   7  43.063  -3.749   8.884
   44    HA   ALA   7           HA       ALA   7  41.119  -4.622   7.075
   45    HB1  ALA   7           HB1      ALA   7  41.179  -4.724  10.096
   46    HB2  ALA   7           HB2      ALA   7  41.735  -5.973   8.982
   47    HB3  ALA   7           HB3      ALA   7  40.013  -5.599   9.104
   48    H    VAL   8           HN       VAL   8  41.152  -1.897   9.226
   49    HA   VAL   8           HA       VAL   8  38.300  -1.334   8.637
   50    HB   VAL   8           HB       VAL   8  40.092  -0.540  10.939
   51   HG11  VAL   8          HG11      VAL   8  38.868   1.447  10.496
   52   HG12  VAL   8          HG12      VAL   8  37.952   0.624  11.759
   53   HG13  VAL   8          HG13      VAL   8  37.407   0.550  10.083
   54   HG21  VAL   8          HG21      VAL   8  38.747  -1.917  12.237
   55   HG22  VAL   8          HG22      VAL   8  38.721  -2.788  10.704
   56   HG23  VAL   8          HG23      VAL   8  37.364  -1.756  11.156
   57    H    ALA   9           HN       ALA   9  37.837   0.423   7.418
   58    HA   ALA   9           HA       ALA   9  39.974   2.436   7.022
   59    HB1  ALA   9           HB1      ALA   9  39.091   0.731   5.078
   60    HB2  ALA   9           HB2      ALA   9  39.813   2.312   4.780
   61    HB3  ALA   9           HB3      ALA   9  38.058   2.136   4.818
   62    H    PHE  10           HN       PHE  10  36.678   1.803   7.786
   63    HA   PHE  10           HA       PHE  10  36.175   4.706   7.897
   64    HB2  PHE  10           HB2      PHE  10  34.937   4.012   6.017
   65    HB3  PHE  10           HB1      PHE  10  34.447   2.509   6.780
   66    HD1  PHE  10           HD1      PHE  10  34.301   5.829   8.501
   67    HD2  PHE  10           HD2      PHE  10  32.112   2.766   6.431
   68    HE1  PHE  10           HE1      PHE  10  32.174   6.833   9.261
   69    HE2  PHE  10           HE2      PHE  10  29.986   3.784   7.179
   70    HZ   PHE  10           HZ       PHE  10  30.014   5.819   8.595
   71    H    GLN  11           HN       GLN  11  35.515   5.376   9.879
   72    HA   GLN  11           HA       GLN  11  34.241   3.385  11.666
   73    HB2  GLN  11           HB2      GLN  11  36.559   5.197  12.327
   74    HB3  GLN  11           HB1      GLN  11  35.531   4.498  13.573
   75    HG2  GLN  11           HG2      GLN  11  37.023   2.898  11.469
   76    HG3  GLN  11           HG1      GLN  11  37.574   3.131  13.125
   77   HE21  GLN  11          HE21      GLN  11  35.936   0.940  11.204
   78   HE22  GLN  11          HE22      GLN  11  35.021   0.163  12.403
   79    H    PHE  12           HN       PHE  12  32.516   4.009  12.759
   80    HA   PHE  12           HA       PHE  12  31.859   6.885  12.766
   81    HB2  PHE  12           HB2      PHE  12  30.454   5.955  11.137
   82    HB3  PHE  12           HB1      PHE  12  30.244   4.463  12.035
   83    HD1  PHE  12           HD1      PHE  12  29.937   7.851  13.595
   84    HD2  PHE  12           HD2      PHE  12  27.877   4.436  11.988
   85    HE1  PHE  12           HE1      PHE  12  27.817   8.647  14.594
   86    HE2  PHE  12           HE2      PHE  12  25.761   5.242  12.984
   87    HZ   PHE  12           HZ       PHE  12  25.727   7.348  14.290
   88    H    THR  13           HN       THR  13  31.603   7.616  14.818
   89    HA   THR  13           HA       THR  13  30.645   5.708  16.877
   90    HB   THR  13           HB       THR  13  32.559   7.829  17.661
   91    HG1  THR  13           HG1      THR  13  34.121   7.009  16.554
   92   HG21  THR  13          HG21      THR  13  32.633   4.966  18.515
   93   HG22  THR  13          HG22      THR  13  31.312   5.986  19.090
   94   HG23  THR  13          HG23      THR  13  32.983   6.422  19.443
   95    H    VAL  14           HN       VAL  14  29.152   6.370  18.247
   96    HA   VAL  14           HA       VAL  14  28.190   9.138  18.013
   97    HB   VAL  14           HB       VAL  14  26.921   6.624  19.119
   98   HG11  VAL  14          HG11      VAL  14  25.926   8.136  20.520
   99   HG12  VAL  14          HG12      VAL  14  24.922   8.443  19.102
  100   HG13  VAL  14          HG13      VAL  14  26.283   9.506  19.467
  101   HG21  VAL  14          HG21      VAL  14  25.547   8.239  17.070
  102   HG22  VAL  14          HG22      VAL  14  25.813   6.497  17.132
  103   HG23  VAL  14          HG23      VAL  14  27.081   7.561  16.525
  104    H    THR  15           HN       THR  15  28.618  10.592  19.620
  105    HA   THR  15           HA       THR  15  29.324   9.508  22.282
  106    HB   THR  15           HB       THR  15  31.250  10.681  22.283
  107    HG1  THR  15           HG1      THR  15  30.865  12.704  22.598
  108   HG21  THR  15          HG21      THR  15  30.552  11.435  19.432
  109   HG22  THR  15          HG22      THR  15  31.195   9.861  19.906
  110   HG23  THR  15          HG23      THR  15  32.167  11.315  20.135
  111    HA   PRO  16           HA       PRO  16  26.135  11.987  24.083
  112    HB2  PRO  16           HB2      PRO  16  28.154  13.428  25.718
  113    HB3  PRO  16           HB1      PRO  16  26.729  12.517  26.243
  114    HG2  PRO  16           HG2      PRO  16  29.274  11.611  26.489
  115    HG3  PRO  16           HG1      PRO  16  27.856  10.561  26.344
  116    HD2  PRO  16           HD2      PRO  16  29.997  11.069  24.383
  117    HD3  PRO  16           HD1      PRO  16  28.823   9.738  24.464
  118    H    ASP  17           HN       ASP  17  29.174  13.734  23.287
  119    HA   ASP  17           HA       ASP  17  27.883  16.271  22.986
  120    HB2  ASP  17           HB2      ASP  17  30.601  15.242  22.157
  121    HB3  ASP  17           HB1      ASP  17  30.074  16.904  21.904
  122    H    GLY  18           HN       GLY  18  28.176  13.498  20.838
  123    HA2  GLY  18           HA2      GLY  18  26.492  14.396  18.921
  124    HA3  GLY  18           HA1      GLY  18  28.020  15.121  18.435
  125    H    ILE  19           HN       ILE  19  28.564  13.968  16.661
  126    HA   ILE  19           HA       ILE  19  28.979  11.084  17.007
  127    HB   ILE  19           HB       ILE  19  28.316  10.925  14.562
  128   HG12  ILE  19          HG12      ILE  19  28.347  13.635  14.630
  129   HG13  ILE  19          HG11      ILE  19  27.418  12.714  13.452
  130   HG21  ILE  19          HG21      ILE  19  26.316  11.602  16.730
  131   HG22  ILE  19          HG22      ILE  19  26.838  10.007  16.204
  132   HG23  ILE  19          HG23      ILE  19  25.828  10.989  15.147
  133   HD11  ILE  19          HD11      ILE  19  25.398  12.952  14.734
  134   HD12  ILE  19          HD12      ILE  19  26.136  14.549  14.659
  135   HD13  ILE  19          HD13      ILE  19  26.284  13.581  16.124
  136    H    ASP  20           HN       ASP  20  30.653  10.270  15.781
  137    HA   ASP  20           HA       ASP  20  32.483  12.232  14.533
  138    HB2  ASP  20           HB2      ASP  20  33.165  10.021  16.478
  139    HB3  ASP  20           HB1      ASP  20  34.370  10.839  15.483
  140    H    LEU  21           HN       LEU  21  33.447  11.593  12.614
  141    HA   LEU  21           HA       LEU  21  33.097   8.785  11.811
  142    HB2  LEU  21           HB2      LEU  21  32.330  11.212  10.161
  143    HB3  LEU  21           HB1      LEU  21  32.413   9.566   9.534
  144    HG   LEU  21           HG       LEU  21  30.828   9.147  11.701
  145   HD11  LEU  21          HD11      LEU  21  29.319  10.934  12.081
  146   HD12  LEU  21          HD12      LEU  21  29.893  11.831  10.676
  147   HD13  LEU  21          HD13      LEU  21  30.912  11.685  12.109
  148   HD21  LEU  21          HD21      LEU  21  30.219   8.382   9.510
  149   HD22  LEU  21          HD22      LEU  21  30.053  10.031   8.908
  150   HD23  LEU  21          HD23      LEU  21  28.890   9.396  10.071
  151    H    ARG  22           HN       ARG  22  34.965   7.988  11.253
  152    HA   ARG  22           HA       ARG  22  37.064   9.802  10.185
  153    HB2  ARG  22           HB2      ARG  22  37.619   8.904  12.404
  154    HB3  ARG  22           HB1      ARG  22  37.440   7.265  11.784
  155    HG2  ARG  22           HG2      ARG  22  39.270   7.667  10.175
  156    HG3  ARG  22           HG1      ARG  22  39.438   9.317  10.778
  157    HD2  ARG  22           HD2      ARG  22  39.744   6.834  12.485
  158    HD3  ARG  22           HD1      ARG  22  41.092   7.719  11.772
  159    HE   ARG  22           HE       ARG  22  39.479   9.525  13.228
  160   HH11  ARG  22          HH21      ARG  22  41.643   6.854  13.645
  161   HH12  ARG  22          HH22      ARG  22  42.143   7.334  15.232
  162   HH21  ARG  22          HH11      ARG  22  40.125  10.157  15.297
  163   HH22  ARG  22          HH12      ARG  22  41.273   9.204  16.175
  164    H    LEU  23           HN       LEU  23  38.130   9.302   8.354
  165    HA   LEU  23           HA       LEU  23  37.662   6.656   7.177
  166    HB2  LEU  23           HB2      LEU  23  37.194   9.306   5.785
  167    HB3  LEU  23           HB1      LEU  23  37.270   7.747   4.968
  168    HG   LEU  23           HG       LEU  23  35.437   7.184   6.902
  169   HD11  LEU  23          HD11      LEU  23  33.973   9.034   7.253
  170   HD12  LEU  23          HD12      LEU  23  34.823  10.019   6.063
  171   HD13  LEU  23          HD13      LEU  23  35.595   9.637   7.602
  172   HD21  LEU  23          HD21      LEU  23  34.971   8.468   4.197
  173   HD22  LEU  23          HD22      LEU  23  33.718   7.657   5.137
  174   HD23  LEU  23          HD23      LEU  23  35.101   6.743   4.535
  175    H    SER  24           HN       SER  24  39.428   5.845   6.271
  176    HA   SER  24           HA       SER  24  41.933   7.235   6.480
  177    HB2  SER  24           HB2      SER  24  41.142   4.520   5.442
  178    HB3  SER  24           HB1      SER  24  42.798   5.114   5.340
  179    HG   SER  24           HG       SER  24  42.627   4.055   7.268
  180    H    HIS  25           HN       HIS  25  43.381   7.748   4.814
  181    HA   HIS  25           HA       HIS  25  42.342   9.069   2.570
  182    HB2  HIS  25           HB2      HIS  25  45.123   7.966   3.071
  183    HB3  HIS  25           HB1      HIS  25  44.708   9.033   1.728
  184    HD2  HIS  25           HD2      HIS  25  45.292   9.264   5.594
  185    HE1  HIS  25           HE1      HIS  25  44.310  13.126   4.201
  186    HE2  HIS  25           HE2      HIS  25  45.086  11.794   6.220
  187    H    GLU  26           HN       GLU  26  43.272   5.804   3.124
  188    HA   GLU  26           HA       GLU  26  43.407   4.940   0.415
  189    HB2  GLU  26           HB2      GLU  26  42.906   3.434   2.993
  190    HB3  GLU  26           HB1      GLU  26  43.108   2.650   1.428
  191    HG2  GLU  26           HG2      GLU  26  45.337   3.627   1.183
  192    HG3  GLU  26           HG1      GLU  26  45.137   4.514   2.693
  193    H    ALA  27           HN       ALA  27  40.820   5.163   2.807
  194    HA   ALA  27           HA       ALA  27  38.804   3.798   1.387
  195    HB1  ALA  27           HB1      ALA  27  38.995   5.099   3.836
  196    HB2  ALA  27           HB2      ALA  27  37.553   4.326   3.180
  197    HB3  ALA  27           HB3      ALA  27  37.815   6.053   2.938
  198    H    LEU  28           HN       LEU  28  39.994   7.061   1.250
  199    HA   LEU  28           HA       LEU  28  37.906   8.181  -0.345
  200    HB2  LEU  28           HB2      LEU  28  40.758   9.074   0.126
  201    HB3  LEU  28           HB1      LEU  28  39.584  10.008  -0.797
  202    HG   LEU  28           HG       LEU  28  39.188   9.116   2.079
  203   HD11  LEU  28          HD11      LEU  28  41.010  10.910   1.527
  204   HD12  LEU  28          HD12      LEU  28  39.839  11.247   2.798
  205   HD13  LEU  28          HD13      LEU  28  39.630  11.958   1.200
  206   HD21  LEU  28          HD21      LEU  28  37.025   9.577   1.537
  207   HD22  LEU  28          HD22      LEU  28  37.478  10.437   0.067
  208   HD23  LEU  28          HD23      LEU  28  37.539  11.260   1.623
  209    H    ARG  29           HN       ARG  29  40.997   6.667  -1.082
  210    HA   ARG  29           HA       ARG  29  41.053   7.288  -3.828
  211    HB2  ARG  29           HB2      ARG  29  42.286   5.019  -2.260
  212    HB3  ARG  29           HB1      ARG  29  42.581   5.274  -3.980
  213    HG2  ARG  29           HG2      ARG  29  43.464   7.516  -3.518
  214    HG3  ARG  29           HG1      ARG  29  43.129   7.305  -1.796
  215    HD2  ARG  29           HD2      ARG  29  44.655   5.367  -1.737
  216    HD3  ARG  29           HD1      ARG  29  44.991   5.580  -3.453
  217    HE   ARG  29           HE       ARG  29  45.542   8.006  -2.125
  218   HH11  ARG  29          HH21      ARG  29  46.617   4.736  -2.359
  219   HH12  ARG  29          HH22      ARG  29  48.267   5.096  -1.980
  220   HH21  ARG  29          HH11      ARG  29  47.700   8.505  -1.622
  221   HH22  ARG  29          HH12      ARG  29  48.886   7.245  -1.587
  222    H    GLN  30           HN       GLN  30  39.589   4.601  -2.060
  223    HA   GLN  30           HA       GLN  30  38.944   3.109  -4.411
  224    HB2  GLN  30           HB2      GLN  30  37.847   3.017  -1.591
  225    HB3  GLN  30           HB1      GLN  30  37.397   1.875  -2.858
  226    HG2  GLN  30           HG2      GLN  30  39.742   1.189  -3.108
  227    HG3  GLN  30           HG1      GLN  30  40.230   2.364  -1.888
  228   HE21  GLN  30          HE21      GLN  30  41.015   0.025  -1.015
  229   HE22  GLN  30          HE22      GLN  30  39.927  -0.713   0.060
  230    H    ILE  31           HN       ILE  31  37.227   5.410  -2.373
  231    HA   ILE  31           HA       ILE  31  34.724   5.166  -3.621
  232    HB   ILE  31           HB       ILE  31  35.992   7.414  -2.056
  233   HG12  ILE  31          HG12      ILE  31  33.783   5.515  -1.255
  234   HG13  ILE  31          HG11      ILE  31  35.486   5.117  -1.011
  235   HG21  ILE  31          HG21      ILE  31  34.304   8.639  -3.005
  236   HG22  ILE  31          HG22      ILE  31  33.334   7.813  -1.787
  237   HG23  ILE  31          HG23      ILE  31  33.373   7.206  -3.441
  238   HD11  ILE  31          HD11      ILE  31  34.400   7.762  -0.074
  239   HD12  ILE  31          HD12      ILE  31  35.810   6.875   0.505
  240   HD13  ILE  31          HD13      ILE  31  34.188   6.317   0.916
  241    H    TYR  32           HN       TYR  32  37.376   7.525  -4.308
  242    HA   TYR  32           HA       TYR  32  35.943   8.933  -6.310
  243    HB2  TYR  32           HB2      TYR  32  37.920   9.913  -5.338
  244    HB3  TYR  32           HB1      TYR  32  38.909   8.551  -5.858
  245    HD1  TYR  32           HD1      TYR  32  36.823  11.386  -7.124
  246    HD2  TYR  32           HD2      TYR  32  39.841   8.462  -8.013
  247    HE1  TYR  32           HE1      TYR  32  37.243  12.480  -9.312
  248    HE2  TYR  32           HE2      TYR  32  40.259   9.554 -10.193
  249    HH   TYR  32           HH       TYR  32  39.692  11.172 -11.563
  250    H    LEU  33           HN       LEU  33  38.293   6.257  -6.538
  251    HA   LEU  33           HA       LEU  33  38.241   6.014  -9.349
  252    HB2  LEU  33           HB2      LEU  33  38.822   3.997  -7.175
  253    HB3  LEU  33           HB1      LEU  33  39.068   3.670  -8.888
  254    HG   LEU  33           HG       LEU  33  40.339   6.000  -7.412
  255   HD11  LEU  33          HD11      LEU  33  41.005   3.222  -7.297
  256   HD12  LEU  33          HD12      LEU  33  41.890   4.585  -6.615
  257   HD13  LEU  33          HD13      LEU  33  42.244   4.037  -8.252
  258   HD21  LEU  33          HD21      LEU  33  41.904   5.425  -9.589
  259   HD22  LEU  33          HD22      LEU  33  40.649   6.662  -9.573
  260   HD23  LEU  33          HD23      LEU  33  40.301   5.062 -10.219
  261    H    SER  34           HN       SER  34  36.267   4.403  -6.832
  262    HA   SER  34           HA       SER  34  34.844   2.683  -8.566
  263    HB2  SER  34           HB2      SER  34  33.154   2.633  -6.752
  264    HB3  SER  34           HB1      SER  34  34.792   2.408  -6.140
  265    HG   SER  34           HG       SER  34  33.514   3.973  -4.968
  266    H    GLY  35           HN       GLY  35  34.396   6.039  -7.645
  267    HA2  GLY  35           HA2      GLY  35  31.828   6.373  -8.846
  268    HA3  GLY  35           HA1      GLY  35  32.919   7.666  -8.354
  269    H    LEU  36           HN       LEU  36  35.152   6.852  -9.888
  270    HA   LEU  36           HA       LEU  36  34.644   8.171 -12.298
  271    HB2  LEU  36           HB2      LEU  36  36.883   8.006 -11.245
  272    HB3  LEU  36           HB1      LEU  36  36.925   6.295 -11.655
  273    HG   LEU  36           HG       LEU  36  36.810   6.840 -14.050
  274   HD11  LEU  36          HD11      LEU  36  36.427   9.615 -12.969
  275   HD12  LEU  36          HD12      LEU  36  35.607   8.822 -14.313
  276   HD13  LEU  36          HD13      LEU  36  37.258   9.411 -14.509
  277   HD21  LEU  36          HD21      LEU  36  39.060   7.119 -14.088
  278   HD22  LEU  36          HD22      LEU  36  38.963   7.266 -12.332
  279   HD23  LEU  36          HD23      LEU  36  38.942   8.714 -13.341
  280    H    HIS  37           HN       HIS  37  34.719   4.762 -11.470
  281    HA   HIS  37           HA       HIS  37  34.458   3.805 -14.164
  282    HB2  HIS  37           HB2      HIS  37  34.120   2.539 -11.444
  283    HB3  HIS  37           HB1      HIS  37  33.868   1.648 -12.949
  284    HD2  HIS  37           HD2      HIS  37  36.216   0.782 -14.165
  285    HE1  HIS  37           HE1      HIS  37  38.917   2.947 -11.750
  286    HE2  HIS  37           HE2      HIS  37  38.729   1.221 -13.603
  287    H    SER  38           HN       SER  38  32.299   4.676 -11.563
  288    HA   SER  38           HA       SER  38  29.923   3.483 -12.532
  289    HB2  SER  38           HB2      SER  38  30.166   6.035 -10.923
  290    HB3  SER  38           HB1      SER  38  28.739   5.013 -11.061
  291    HG   SER  38           HG       SER  38  31.208   3.974 -10.165
  292    H    TRP  39           HN       TRP  39  31.314   6.774 -13.056
  293    HA   TRP  39           HA       TRP  39  29.148   7.623 -14.693
  294    HB2  TRP  39           HB2      TRP  39  31.954   8.630 -14.271
  295    HB3  TRP  39           HB1      TRP  39  30.908   9.342 -15.496
  296    HD1  TRP  39           HD1      TRP  39  28.216   9.693 -14.260
  297    HE1  TRP  39           HE1      TRP  39  27.800  11.068 -12.120
  298    HE3  TRP  39           HE3      TRP  39  32.913   9.692 -12.283
  299    HZ2  TRP  39           HZ2      TRP  39  29.269  12.037  -9.863
  300    HZ3  TRP  39           HZ3      TRP  39  33.385  10.840 -10.144
  301    HH2  TRP  39           HH2      TRP  39  31.570  12.019  -8.934
  302    H    LYS  40           HN       LYS  40  32.186   5.972 -15.310
  303    HA   LYS  40           HA       LYS  40  31.979   6.180 -18.177
  304    HB2  LYS  40           HB2      LYS  40  33.710   4.477 -16.370
  305    HB3  LYS  40           HB1      LYS  40  33.833   4.472 -18.130
  306    HG2  LYS  40           HG2      LYS  40  34.306   6.898 -18.105
  307    HG3  LYS  40           HG1      LYS  40  34.188   6.903 -16.347
  308    HD2  LYS  40           HD2      LYS  40  36.055   5.268 -16.230
  309    HD3  LYS  40           HD1      LYS  40  36.198   5.330 -17.987
  310    HE2  LYS  40           HE2      LYS  40  36.465   7.749 -16.182
  311    HE3  LYS  40           HE1      LYS  40  37.834   6.819 -16.784
  312    HZ1  LYS  40           HZ1      LYS  40  37.030   8.889 -18.072
  313    HZ2  LYS  40           HZ2      LYS  40  35.820   7.853 -18.665
  314    HZ3  LYS  40           HZ3      LYS  40  37.460   7.493 -18.934
  315    H    LYS  41           HN       LYS  41  31.349   4.615 -19.630
  316    HA   LYS  41           HA       LYS  41  29.263   2.863 -18.813
  317    HB2  LYS  41           HB2      LYS  41  29.402   3.869 -21.071
  318    HB3  LYS  41           HB1      LYS  41  30.831   2.893 -21.403
  319    HG2  LYS  41           HG2      LYS  41  29.537   0.841 -21.116
  320    HG3  LYS  41           HG1      LYS  41  28.108   1.780 -20.677
  321    HD2  LYS  41           HD2      LYS  41  28.133   2.857 -22.895
  322    HD3  LYS  41           HD1      LYS  41  29.552   1.910 -23.339
  323    HE2  LYS  41           HE2      LYS  41  28.256  -0.171 -23.013
  324    HE3  LYS  41           HE1      LYS  41  26.839   0.788 -22.590
  325    HZ1  LYS  41           HZ1      LYS  41  26.411   1.175 -24.718
  326    HZ2  LYS  41           HZ2      LYS  41  27.587   0.012 -25.106
  327    HZ3  LYS  41           HZ3      LYS  41  28.005   1.658 -25.036
  328    H    LYS  42           HN       LYS  42  29.329   0.797 -18.178
  329    HA   LYS  42           HA       LYS  42  31.614  -0.438 -17.263
  330    HB2  LYS  42           HB2      LYS  42  29.047  -1.666 -18.266
  331    HB3  LYS  42           HB1      LYS  42  30.302  -2.577 -17.424
  332    HG2  LYS  42           HG2      LYS  42  30.098  -1.063 -15.486
  333    HG3  LYS  42           HG1      LYS  42  28.839  -0.158 -16.327
  334    HD2  LYS  42           HD2      LYS  42  27.458  -2.209 -16.451
  335    HD3  LYS  42           HD1      LYS  42  28.708  -3.090 -15.570
  336    HE2  LYS  42           HE2      LYS  42  28.453  -1.560 -13.661
  337    HE3  LYS  42           HE1      LYS  42  27.214  -0.666 -14.538
  338    HZ1  LYS  42           HZ1      LYS  42  26.253  -3.127 -14.730
  339    HZ2  LYS  42           HZ2      LYS  42  25.859  -2.073 -13.456
  340    HZ3  LYS  42           HZ3      LYS  42  27.058  -3.258 -13.242
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1  53.980   1.597  10.781
    2    H2   MET   1           HT2      MET   1  54.488   0.543   9.550
    3    H3   MET   1           HT3      MET   1  54.084  -0.068  11.084
    4    HA   MET   1           HA       MET   1  51.894   1.394  10.126
    5    HB2  MET   1           HB2      MET   1  53.075  -0.636   8.212
    6    HB3  MET   1           HB1      MET   1  51.391  -0.120   8.159
    7    HG2  MET   1           HG2      MET   1  52.108   2.214   7.845
    8    HG3  MET   1           HG1      MET   1  53.797   1.712   7.899
    9    HE1  MET   1           HE1      MET   1  53.787  -1.126   5.714
   10    HE2  MET   1           HE2      MET   1  54.741  -0.005   6.680
   11    HE3  MET   1           HE3      MET   1  54.751   0.128   4.925
   12    H    ALA   2           HN       ALA   2  49.993  -0.088  10.095
   13    HA   ALA   2           HA       ALA   2  50.442  -2.617  11.512
   14    HB1  ALA   2           HB1      ALA   2  48.173  -1.480  12.717
   15    HB2  ALA   2           HB2      ALA   2  49.401  -0.212  12.715
   16    HB3  ALA   2           HB3      ALA   2  49.745  -1.770  13.463
   17    H    GLU   3           HN       GLU   3  48.880  -4.151  11.167
   18    HA   GLU   3           HA       GLU   3  47.393  -3.945   8.758
   19    HB2  GLU   3           HB2      GLU   3  47.348  -5.993  10.982
   20    HB3  GLU   3           HB1      GLU   3  46.431  -6.156   9.486
   21    HG2  GLU   3           HG2      GLU   3  48.556  -5.967   8.196
   22    HG3  GLU   3           HG1      GLU   3  49.444  -5.906   9.720
   23    H    ALA   4           HN       ALA   4  46.712  -2.952  11.959
   24    HA   ALA   4           HA       ALA   4  43.912  -3.346  12.047
   25    HB1  ALA   4           HB1      ALA   4  44.479  -0.929  13.392
   26    HB2  ALA   4           HB2      ALA   4  45.890  -1.964  13.621
   27    HB3  ALA   4           HB3      ALA   4  44.292  -2.532  14.103
   28    H    HIS   5           HN       HIS   5  45.909  -0.713  10.794
   29    HA   HIS   5           HA       HIS   5  43.762   1.026  10.159
   30    HB2  HIS   5           HB2      HIS   5  46.509   0.843   8.890
   31    HB3  HIS   5           HB1      HIS   5  45.404   2.216   8.792
   32    HD2  HIS   5           HD2      HIS   5  48.238   1.051  11.041
   33    HE1  HIS   5           HE1      HIS   5  45.971   3.738  13.380
   34    HE2  HIS   5           HE2      HIS   5  48.181   2.494  13.217
   35    H    GLN   6           HN       GLN   6  45.465  -1.496   8.359
   36    HA   GLN   6           HA       GLN   6  44.158  -1.055   5.872
   37    HB2  GLN   6           HB2      GLN   6  45.548  -3.470   7.036
   38    HB3  GLN   6           HB1      GLN   6  44.910  -3.417   5.393
   39    HG2  GLN   6           HG2      GLN   6  46.354  -1.542   4.839
   40    HG3  GLN   6           HG1      GLN   6  46.921  -1.444   6.507
   41   HE21  GLN   6          HE21      GLN   6  48.990  -1.800   4.851
   42   HE22  GLN   6          HE22      GLN   6  49.508  -3.417   4.791
   43    H    ALA   7           HN       ALA   7  43.454  -3.105   8.670
   44    HA   ALA   7           HA       ALA   7  41.392  -4.629   7.520
   45    HB1  ALA   7           HB1      ALA   7  42.407  -5.255   9.646
   46    HB2  ALA   7           HB2      ALA   7  40.666  -5.047   9.849
   47    HB3  ALA   7           HB3      ALA   7  41.774  -3.792  10.402
   48    H    VAL   8           HN       VAL   8  41.337  -1.466   9.122
   49    HA   VAL   8           HA       VAL   8  38.489  -1.225   8.340
   50    HB   VAL   8           HB       VAL   8  38.461   0.591  10.151
   51   HG11  VAL   8          HG11      VAL   8  38.430  -1.341  11.965
   52   HG12  VAL   8          HG12      VAL   8  38.559  -2.375  10.543
   53   HG13  VAL   8          HG13      VAL   8  37.197  -1.265  10.707
   54   HG21  VAL   8          HG21      VAL   8  41.144   0.171  10.253
   55   HG22  VAL   8          HG22      VAL   8  40.610  -0.914  11.539
   56   HG23  VAL   8          HG23      VAL   8  40.209   0.800  11.610
   57    H    ALA   9           HN       ALA   9  37.980   0.305   6.918
   58    HA   ALA   9           HA       ALA   9  40.030   2.321   6.235
   59    HB1  ALA   9           HB1      ALA   9  39.418   2.097   4.059
   60    HB2  ALA   9           HB2      ALA   9  37.704   1.980   4.457
   61    HB3  ALA   9           HB3      ALA   9  38.739   0.559   4.596
   62    H    PHE  10           HN       PHE  10  36.858   1.815   7.473
   63    HA   PHE  10           HA       PHE  10  36.551   4.709   7.803
   64    HB2  PHE  10           HB2      PHE  10  34.334   4.815   7.015
   65    HB3  PHE  10           HB1      PHE  10  35.214   3.900   5.802
   66    HD1  PHE  10           HD1      PHE  10  35.283   1.218   7.470
   67    HD2  PHE  10           HD2      PHE  10  32.165   4.002   6.475
   68    HE1  PHE  10           HE1      PHE  10  33.615  -0.574   7.712
   69    HE2  PHE  10           HE2      PHE  10  30.492   2.190   6.708
   70    HZ   PHE  10           HZ       PHE  10  31.216  -0.095   7.331
   71    H    GLN  11           HN       GLN  11  35.884   5.348   9.792
   72    HA   GLN  11           HA       GLN  11  34.699   3.279  11.563
   73    HB2  GLN  11           HB2      GLN  11  37.131   3.717  12.073
   74    HB3  GLN  11           HB1      GLN  11  36.674   5.368  12.480
   75    HG2  GLN  11           HG2      GLN  11  35.083   4.509  14.169
   76    HG3  GLN  11           HG1      GLN  11  35.571   2.862  13.781
   77   HE21  GLN  11          HE21      GLN  11  37.128   2.052  15.182
   78   HE22  GLN  11          HE22      GLN  11  38.281   2.987  16.009
   79    H    PHE  12           HN       PHE  12  32.941   3.874  12.691
   80    HA   PHE  12           HA       PHE  12  32.225   6.743  12.689
   81    HB2  PHE  12           HB2      PHE  12  30.799   5.790  11.103
   82    HB3  PHE  12           HB1      PHE  12  30.648   4.286  11.993
   83    HD1  PHE  12           HD1      PHE  12  30.284   7.636  13.605
   84    HD2  PHE  12           HD2      PHE  12  28.258   4.214  11.974
   85    HE1  PHE  12           HE1      PHE  12  28.169   8.378  14.646
   86    HE2  PHE  12           HE2      PHE  12  26.140   4.986  12.998
   87    HZ   PHE  12           HZ       PHE  12  26.096   7.073  14.330
   88    H    THR  13           HN       THR  13  32.005   7.522  14.700
   89    HA   THR  13           HA       THR  13  31.087   5.676  16.840
   90    HB   THR  13           HB       THR  13  32.850   7.925  17.594
   91    HG1  THR  13           HG1      THR  13  33.906   5.507  16.579
   92   HG21  THR  13          HG21      THR  13  33.642   6.251  19.210
   93   HG22  THR  13          HG22      THR  13  32.663   5.016  18.418
   94   HG23  THR  13          HG23      THR  13  31.883   6.367  19.242
   95    H    VAL  14           HN       VAL  14  29.425   6.323  18.002
   96    HA   VAL  14           HA       VAL  14  28.348   9.008  17.523
   97    HB   VAL  14           HB       VAL  14  26.815   7.123  17.188
   98   HG11  VAL  14          HG11      VAL  14  26.559   5.423  18.686
   99   HG12  VAL  14          HG12      VAL  14  26.650   6.508  20.073
  100   HG13  VAL  14          HG13      VAL  14  28.128   5.958  19.287
  101   HG21  VAL  14          HG21      VAL  14  26.056   9.358  18.162
  102   HG22  VAL  14          HG22      VAL  14  26.079   8.574  19.742
  103   HG23  VAL  14          HG23      VAL  14  24.990   7.989  18.484
  104    H    THR  15           HN       THR  15  28.521  10.606  19.004
  105    HA   THR  15           HA       THR  15  29.084   9.816  21.800
  106    HB   THR  15           HB       THR  15  30.471  11.791  22.028
  107    HG1  THR  15           HG1      THR  15  29.332  12.348  19.559
  108   HG21  THR  15          HG21      THR  15  31.241   9.581  20.734
  109   HG22  THR  15          HG22      THR  15  32.319  10.965  20.933
  110   HG23  THR  15          HG23      THR  15  31.449  10.736  19.417
  111    HA   PRO  16           HA       PRO  16  25.421  11.998  23.039
  112    HB2  PRO  16           HB2      PRO  16  27.136  13.640  24.846
  113    HB3  PRO  16           HB1      PRO  16  25.679  12.705  25.221
  114    HG2  PRO  16           HG2      PRO  16  28.186  11.900  25.856
  115    HG3  PRO  16           HG1      PRO  16  26.837  10.791  25.567
  116    HD2  PRO  16           HD2      PRO  16  29.221  11.267  23.916
  117    HD3  PRO  16           HD1      PRO  16  28.058   9.925  23.856
  118    H    ASP  17           HN       ASP  17  28.396  13.885  22.423
  119    HA   ASP  17           HA       ASP  17  27.030  16.334  21.873
  120    HB2  ASP  17           HB2      ASP  17  29.823  15.362  21.296
  121    HB3  ASP  17           HB1      ASP  17  29.261  16.983  20.893
  122    H    GLY  18           HN       GLY  18  27.621  13.469  19.917
  123    HA2  GLY  18           HA2      GLY  18  26.053  14.160  17.817
  124    HA3  GLY  18           HA1      GLY  18  27.574  14.957  17.424
  125    H    ILE  19           HN       ILE  19  28.323  13.712  15.733
  126    HA   ILE  19           HA       ILE  19  28.921  10.908  16.343
  127    HB   ILE  19           HB       ILE  19  28.435  10.483  13.881
  128   HG12  ILE  19          HG12      ILE  19  26.823  13.018  14.121
  129   HG13  ILE  19          HG11      ILE  19  28.410  12.964  13.354
  130   HG21  ILE  19          HG21      ILE  19  25.954  11.365  15.345
  131   HG22  ILE  19          HG22      ILE  19  26.874   9.972  15.909
  132   HG23  ILE  19          HG23      ILE  19  26.165   9.964  14.297
  133   HD11  ILE  19          HD11      ILE  19  27.581  11.995  11.485
  134   HD12  ILE  19          HD12      ILE  19  25.990  12.445  12.096
  135   HD13  ILE  19          HD13      ILE  19  26.633  10.834  12.415
  136    H    ASP  20           HN       ASP  20  30.753  10.142  15.396
  137    HA   ASP  20           HA       ASP  20  32.538  12.154  14.150
  138    HB2  ASP  20           HB2      ASP  20  33.214   9.923  16.085
  139    HB3  ASP  20           HB1      ASP  20  34.422  10.850  15.192
  140    H    LEU  21           HN       LEU  21  33.516  11.563  12.227
  141    HA   LEU  21           HA       LEU  21  33.240   8.743  11.406
  142    HB2  LEU  21           HB2      LEU  21  32.610  11.229   9.776
  143    HB3  LEU  21           HB1      LEU  21  32.728   9.611   9.095
  144    HG   LEU  21           HG       LEU  21  30.845  10.301  11.370
  145   HD11  LEU  21          HD11      LEU  21  29.074  10.334   9.586
  146   HD12  LEU  21          HD12      LEU  21  30.361  10.317   8.378
  147   HD13  LEU  21          HD13      LEU  21  30.208  11.682   9.482
  148   HD21  LEU  21          HD21      LEU  21  31.589   7.861  10.014
  149   HD22  LEU  21          HD22      LEU  21  29.898   8.220   9.685
  150   HD23  LEU  21          HD23      LEU  21  30.461   8.086  11.345
  151    H    ARG  22           HN       ARG  22  35.195   7.991  11.015
  152    HA   ARG  22           HA       ARG  22  37.297   9.828   9.998
  153    HB2  ARG  22           HB2      ARG  22  37.558   7.456  11.859
  154    HB3  ARG  22           HB1      ARG  22  38.926   8.308  11.143
  155    HG2  ARG  22           HG2      ARG  22  38.261  10.385  12.229
  156    HG3  ARG  22           HG1      ARG  22  36.796   9.628  12.852
  157    HD2  ARG  22           HD2      ARG  22  38.428   9.651  14.637
  158    HD3  ARG  22           HD1      ARG  22  38.246   7.990  14.086
  159    HE   ARG  22           HE       ARG  22  40.385   9.262  12.697
  160   HH11  ARG  22          HH21      ARG  22  39.458   7.956  15.773
  161   HH12  ARG  22          HH22      ARG  22  41.069   7.513  16.226
  162   HH21  ARG  22          HH11      ARG  22  42.506   8.684  13.299
  163   HH22  ARG  22          HH12      ARG  22  42.790   7.924  14.829
  164    H    LEU  23           HN       LEU  23  38.414   9.272   8.195
  165    HA   LEU  23           HA       LEU  23  38.145   6.510   7.234
  166    HB2  LEU  23           HB2      LEU  23  37.636   8.963   5.531
  167    HB3  LEU  23           HB1      LEU  23  37.691   7.296   4.957
  168    HG   LEU  23           HG       LEU  23  35.883   7.027   6.950
  169   HD11  LEU  23          HD11      LEU  23  36.099   9.560   7.311
  170   HD12  LEU  23          HD12      LEU  23  34.462   8.925   7.129
  171   HD13  LEU  23          HD13      LEU  23  35.249   9.735   5.774
  172   HD21  LEU  23          HD21      LEU  23  35.288   8.005   4.137
  173   HD22  LEU  23          HD22      LEU  23  34.160   7.145   5.184
  174   HD23  LEU  23          HD23      LEU  23  35.605   6.329   4.591
  175    H    SER  24           HN       SER  24  39.916   5.739   6.291
  176    HA   SER  24           HA       SER  24  42.360   7.238   6.484
  177    HB2  SER  24           HB2      SER  24  43.445   5.223   6.000
  178    HB3  SER  24           HB1      SER  24  41.984   4.701   6.833
  179    HG   SER  24           HG       SER  24  42.491   4.769   4.041
  180    H    HIS  25           HN       HIS  25  43.809   7.659   4.760
  181    HA   HIS  25           HA       HIS  25  42.719   8.954   2.530
  182    HB2  HIS  25           HB2      HIS  25  45.498   7.826   2.930
  183    HB3  HIS  25           HB1      HIS  25  45.040   8.966   1.663
  184    HD2  HIS  25           HD2      HIS  25  46.129   9.028   5.342
  185    HE1  HIS  25           HE1      HIS  25  44.596  12.868   4.487
  186    HE2  HIS  25           HE2      HIS  25  45.901  11.492   6.177
  187    H    GLU  26           HN       GLU  26  43.719   5.688   3.061
  188    HA   GLU  26           HA       GLU  26  43.801   4.827   0.349
  189    HB2  GLU  26           HB2      GLU  26  43.389   3.311   2.934
  190    HB3  GLU  26           HB1      GLU  26  43.565   2.533   1.359
  191    HG2  GLU  26           HG2      GLU  26  45.765   3.526   1.060
  192    HG3  GLU  26           HG1      GLU  26  45.588   4.448   2.550
  193    H    ALA  27           HN       ALA  27  41.292   4.980   2.808
  194    HA   ALA  27           HA       ALA  27  39.279   3.553   1.456
  195    HB1  ALA  27           HB1      ALA  27  38.260   5.771   3.040
  196    HB2  ALA  27           HB2      ALA  27  39.525   4.885   3.891
  197    HB3  ALA  27           HB3      ALA  27  38.096   4.035   3.306
  198    H    LEU  28           HN       LEU  28  40.393   6.836   1.277
  199    HA   LEU  28           HA       LEU  28  38.246   7.910  -0.271
  200    HB2  LEU  28           HB2      LEU  28  41.104   8.841   0.069
  201    HB3  LEU  28           HB1      LEU  28  39.857   9.762  -0.769
  202    HG   LEU  28           HG       LEU  28  39.665   8.831   2.113
  203   HD11  LEU  28          HD11      LEU  28  41.051  10.563   2.530
  204   HD12  LEU  28          HD12      LEU  28  39.725  11.612   2.039
  205   HD13  LEU  28          HD13      LEU  28  40.952  11.136   0.868
  206   HD21  LEU  28          HD21      LEU  28  37.451   9.161   1.539
  207   HD22  LEU  28          HD22      LEU  28  37.842  10.287   0.239
  208   HD23  LEU  28          HD23      LEU  28  37.887  10.826   1.916
  209    H    ARG  29           HN       ARG  29  41.349   6.476  -1.080
  210    HA   ARG  29           HA       ARG  29  41.315   7.028  -3.834
  211    HB2  ARG  29           HB2      ARG  29  43.331   6.279  -2.611
  212    HB3  ARG  29           HB1      ARG  29  42.606   4.681  -2.417
  213    HG2  ARG  29           HG2      ARG  29  42.514   4.403  -4.853
  214    HG3  ARG  29           HG1      ARG  29  43.176   6.023  -5.077
  215    HD2  ARG  29           HD2      ARG  29  44.598   3.800  -3.592
  216    HD3  ARG  29           HD1      ARG  29  44.884   4.197  -5.282
  217    HE   ARG  29           HE       ARG  29  45.759   5.724  -2.971
  218   HH11  ARG  29          HH21      ARG  29  45.085   5.676  -6.370
  219   HH12  ARG  29          HH22      ARG  29  46.106   7.027  -6.729
  220   HH21  ARG  29          HH11      ARG  29  47.106   7.500  -3.451
  221   HH22  ARG  29          HH12      ARG  29  47.240   8.058  -5.083
  222    H    GLN  30           HN       GLN  30  39.944   4.315  -2.005
  223    HA   GLN  30           HA       GLN  30  39.152   2.845  -4.337
  224    HB2  GLN  30           HB2      GLN  30  38.216   2.727  -1.461
  225    HB3  GLN  30           HB1      GLN  30  37.747   1.573  -2.707
  226    HG2  GLN  30           HG2      GLN  30  40.605   2.144  -1.863
  227    HG3  GLN  30           HG1      GLN  30  39.653   0.760  -1.326
  228   HE21  GLN  30          HE21      GLN  30  42.000   1.550  -3.547
  229   HE22  GLN  30          HE22      GLN  30  41.638   0.405  -4.752
  230    H    ILE  31           HN       ILE  31  37.548   5.033  -2.076
  231    HA   ILE  31           HA       ILE  31  34.976   4.860  -3.188
  232    HB   ILE  31           HB       ILE  31  36.316   7.017  -1.554
  233   HG12  ILE  31          HG12      ILE  31  34.136   5.075  -0.759
  234   HG13  ILE  31          HG11      ILE  31  35.845   4.655  -0.625
  235   HG21  ILE  31          HG21      ILE  31  33.874   7.706  -1.135
  236   HG22  ILE  31          HG22      ILE  31  33.477   6.760  -2.569
  237   HG23  ILE  31          HG23      ILE  31  34.557   8.148  -2.699
  238   HD11  ILE  31          HD11      ILE  31  36.253   6.333   0.984
  239   HD12  ILE  31          HD12      ILE  31  34.679   5.692   1.452
  240   HD13  ILE  31          HD13      ILE  31  34.785   7.215   0.567
  241    H    TYR  32           HN       TYR  32  37.600   7.238  -3.889
  242    HA   TYR  32           HA       TYR  32  36.057   8.827  -5.641
  243    HB2  TYR  32           HB2      TYR  32  38.195   9.610  -4.797
  244    HB3  TYR  32           HB1      TYR  32  39.027   8.273  -5.591
  245    HD1  TYR  32           HD1      TYR  32  37.052  11.374  -6.211
  246    HD2  TYR  32           HD2      TYR  32  39.561   8.321  -7.896
  247    HE1  TYR  32           HE1      TYR  32  37.261  12.693  -8.305
  248    HE2  TYR  32           HE2      TYR  32  39.767   9.636  -9.981
  249    HH   TYR  32           HH       TYR  32  39.563  11.881 -10.749
  250    H    LEU  33           HN       LEU  33  38.303   6.144  -6.304
  251    HA   LEU  33           HA       LEU  33  37.914   6.094  -9.092
  252    HB2  LEU  33           HB2      LEU  33  38.730   3.943  -7.136
  253    HB3  LEU  33           HB1      LEU  33  38.738   3.709  -8.880
  254    HG   LEU  33           HG       LEU  33  40.228   5.959  -7.491
  255   HD11  LEU  33          HD11      LEU  33  41.394   3.362  -8.528
  256   HD12  LEU  33          HD12      LEU  33  41.011   3.640  -6.831
  257   HD13  LEU  33          HD13      LEU  33  42.229   4.630  -7.632
  258   HD21  LEU  33          HD21      LEU  33  39.780   5.161 -10.291
  259   HD22  LEU  33          HD22      LEU  33  41.487   5.332  -9.888
  260   HD23  LEU  33          HD23      LEU  33  40.382   6.683  -9.638
  261    H    SER  34           HN       SER  34  36.256   4.329  -6.454
  262    HA   SER  34           HA       SER  34  34.607   2.734  -8.079
  263    HB2  SER  34           HB2      SER  34  33.184   2.489  -6.127
  264    HB3  SER  34           HB1      SER  34  34.865   2.474  -5.599
  265    HG   SER  34           HG       SER  34  33.764   4.981  -5.740
  266    H    GLY  35           HN       GLY  35  34.346   6.057  -6.980
  267    HA2  GLY  35           HA2      GLY  35  31.683   6.493  -7.933
  268    HA3  GLY  35           HA1      GLY  35  32.840   7.741  -7.472
  269    H    LEU  36           HN       LEU  36  34.919   6.994  -9.211
  270    HA   LEU  36           HA       LEU  36  34.292   8.459 -11.496
  271    HB2  LEU  36           HB2      LEU  36  36.587   8.183 -10.708
  272    HB3  LEU  36           HB1      LEU  36  36.521   6.458 -11.055
  273    HG   LEU  36           HG       LEU  36  36.233   6.927 -13.453
  274   HD11  LEU  36          HD11      LEU  36  36.720   9.467 -14.023
  275   HD12  LEU  36          HD12      LEU  36  36.025   9.734 -12.425
  276   HD13  LEU  36          HD13      LEU  36  35.078   8.930 -13.676
  277   HD21  LEU  36          HD21      LEU  36  38.531   6.888 -12.307
  278   HD22  LEU  36          HD22      LEU  36  38.506   8.646 -12.453
  279   HD23  LEU  36          HD23      LEU  36  38.453   7.640 -13.901
  280    H    HIS  37           HN       HIS  37  34.290   4.992 -10.910
  281    HA   HIS  37           HA       HIS  37  33.760   4.274 -13.639
  282    HB2  HIS  37           HB2      HIS  37  33.686   2.777 -11.023
  283    HB3  HIS  37           HB1      HIS  37  33.209   2.026 -12.545
  284    HD2  HIS  37           HD2      HIS  37  35.351   1.489 -14.330
  285    HE1  HIS  37           HE1      HIS  37  38.430   2.780 -11.746
  286    HE2  HIS  37           HE2      HIS  37  37.931   1.600 -13.937
  287    H    SER  38           HN       SER  38  31.843   4.979 -10.790
  288    HA   SER  38           HA       SER  38  29.361   3.918 -11.703
  289    HB2  SER  38           HB2      SER  38  29.915   6.141  -9.728
  290    HB3  SER  38           HB1      SER  38  28.336   5.407  -9.997
  291    HG   SER  38           HG       SER  38  30.651   4.349  -8.826
  292    H    TRP  39           HN       TRP  39  30.828   7.189 -11.983
  293    HA   TRP  39           HA       TRP  39  28.551   8.365 -13.215
  294    HB2  TRP  39           HB2      TRP  39  30.293   9.720 -12.129
  295    HB3  TRP  39           HB1      TRP  39  31.469   9.179 -13.326
  296    HD1  TRP  39           HD1      TRP  39  31.550  10.424 -15.574
  297    HE1  TRP  39           HE1      TRP  39  30.178  12.327 -16.644
  298    HE3  TRP  39           HE3      TRP  39  27.735  10.786 -12.189
  299    HZ2  TRP  39           HZ2      TRP  39  27.787  13.804 -16.137
  300    HZ3  TRP  39           HZ3      TRP  39  25.928  12.452 -12.512
  301    HH2  TRP  39           HH2      TRP  39  25.951  13.959 -14.479
  302    H    LYS  40           HN       LYS  40  31.043   6.287 -14.334
  303    HA   LYS  40           HA       LYS  40  31.617   5.488 -16.413
  304    HB2  LYS  40           HB2      LYS  40  28.767   6.278 -17.069
  305    HB3  LYS  40           HB1      LYS  40  29.766   5.151 -17.984
  306    HG2  LYS  40           HG2      LYS  40  29.121   4.725 -15.062
  307    HG3  LYS  40           HG1      LYS  40  28.085   4.120 -16.351
  308    HD2  LYS  40           HD2      LYS  40  30.003   2.837 -17.272
  309    HD3  LYS  40           HD1      LYS  40  31.008   3.401 -15.940
  310    HE2  LYS  40           HE2      LYS  40  29.505   2.363 -14.316
  311    HE3  LYS  40           HE1      LYS  40  28.449   1.822 -15.621
  312    HZ1  LYS  40           HZ1      LYS  40  29.691  -0.005 -15.638
  313    HZ2  LYS  40           HZ2      LYS  40  30.902   0.694 -14.673
  314    HZ3  LYS  40           HZ3      LYS  40  30.911   0.930 -16.355
  315    H    LYS  41           HN       LYS  41  32.959   7.567 -16.363
  316    HA   LYS  41           HA       LYS  41  32.214   9.815 -17.895
  317    HB2  LYS  41           HB2      LYS  41  34.133   9.731 -16.304
  318    HB3  LYS  41           HB1      LYS  41  34.998   8.713 -17.453
  319    HG2  LYS  41           HG2      LYS  41  34.910  10.483 -19.137
  320    HG3  LYS  41           HG1      LYS  41  33.959  11.500 -18.054
  321    HD2  LYS  41           HD2      LYS  41  35.823  11.496 -16.428
  322    HD3  LYS  41           HD1      LYS  41  36.776  10.499 -17.530
  323    HE2  LYS  41           HE2      LYS  41  36.629  12.287 -19.244
  324    HE3  LYS  41           HE1      LYS  41  35.729  13.285 -18.105
  325    HZ1  LYS  41           HZ1      LYS  41  38.552  12.652 -18.175
  326    HZ2  LYS  41           HZ2      LYS  41  37.839  12.603 -16.632
  327    HZ3  LYS  41           HZ3      LYS  41  37.759  14.021 -17.562
  328    H    LYS  42           HN       LYS  42  32.180  10.179 -20.039
  329    HA   LYS  42           HA       LYS  42  32.353   8.002 -21.862
  330    HB2  LYS  42           HB2      LYS  42  32.187  10.985 -22.319
  331    HB3  LYS  42           HB1      LYS  42  32.016   9.767 -23.584
  332    HG2  LYS  42           HG2      LYS  42  30.114   8.773 -22.402
  333    HG3  LYS  42           HG1      LYS  42  30.294   9.946 -21.097
  334    HD2  LYS  42           HD2      LYS  42  29.887  11.783 -22.717
  335    HD3  LYS  42           HD1      LYS  42  29.641  10.582 -23.987
  336    HE2  LYS  42           HE2      LYS  42  27.760   9.616 -22.737
  337    HE3  LYS  42           HE1      LYS  42  28.013  10.783 -21.439
  338    HZ1  LYS  42           HZ1      LYS  42  27.341  11.456 -24.250
  339    HZ2  LYS  42           HZ2      LYS  42  27.573  12.570 -22.988
  340    HZ3  LYS  42           HZ3      LYS  42  26.262  11.491 -22.943
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1  52.267  -9.247  10.141
    2    H2   MET   1           HT2      MET   1  53.305 -10.591  10.154
    3    H3   MET   1           HT3      MET   1  52.179 -10.394   8.894
    4    HA   MET   1           HA       MET   1  53.795  -8.090   9.068
    5    HB2  MET   1           HB2      MET   1  55.240 -10.748   8.809
    6    HB3  MET   1           HB1      MET   1  55.952  -9.173   8.458
    7    HG2  MET   1           HG2      MET   1  54.763  -9.922  11.140
    8    HG3  MET   1           HG1      MET   1  56.479 -10.031  10.769
    9    HE1  MET   1           HE1      MET   1  57.855  -6.667  10.531
   10    HE2  MET   1           HE2      MET   1  57.114  -7.187   9.020
   11    HE3  MET   1           HE3      MET   1  57.905  -8.371  10.056
   12    H    ALA   2           HN       ALA   2  53.324 -11.227   7.441
   13    HA   ALA   2           HA       ALA   2  53.293  -9.848   4.842
   14    HB1  ALA   2           HB1      ALA   2  54.385 -12.301   5.701
   15    HB2  ALA   2           HB2      ALA   2  54.328 -11.669   4.055
   16    HB3  ALA   2           HB3      ALA   2  53.030 -12.709   4.645
   17    H    GLU   3           HN       GLU   3  51.532  -9.851   3.509
   18    HA   GLU   3           HA       GLU   3  49.288  -9.824   2.977
   19    HB2  GLU   3           HB2      GLU   3  49.534 -12.582   4.201
   20    HB3  GLU   3           HB1      GLU   3  48.115 -12.010   3.320
   21    HG2  GLU   3           HG2      GLU   3  49.395 -11.713   1.303
   22    HG3  GLU   3           HG1      GLU   3  50.909 -12.026   2.152
   23    H    ALA   4           HN       ALA   4  50.079  -8.766   5.603
   24    HA   ALA   4           HA       ALA   4  47.597  -9.278   7.134
   25    HB1  ALA   4           HB1      ALA   4  49.524  -9.939   8.414
   26    HB2  ALA   4           HB2      ALA   4  48.918  -8.425   9.093
   27    HB3  ALA   4           HB3      ALA   4  50.343  -8.418   8.052
   28    H    HIS   5           HN       HIS   5  46.394  -7.551   7.873
   29    HA   HIS   5           HA       HIS   5  47.327  -4.835   7.297
   30    HB2  HIS   5           HB2      HIS   5  46.050  -5.644   5.291
   31    HB3  HIS   5           HB1      HIS   5  44.636  -5.821   6.327
   32    HD2  HIS   5           HD2      HIS   5  46.877  -2.916   4.864
   33    HE1  HIS   5           HE1      HIS   5  43.396  -1.206   6.532
   34    HE2  HIS   5           HE2      HIS   5  45.499  -0.723   5.195
   35    H    GLN   6           HN       GLN   6  46.768  -3.450   8.868
   36    HA   GLN   6           HA       GLN   6  44.563  -4.190  10.680
   37    HB2  GLN   6           HB2      GLN   6  46.709  -4.807  11.730
   38    HB3  GLN   6           HB1      GLN   6  47.283  -3.157  11.516
   39    HG2  GLN   6           HG2      GLN   6  46.448  -3.500  13.808
   40    HG3  GLN   6           HG1      GLN   6  45.453  -2.324  12.954
   41   HE21  GLN   6          HE21      GLN   6  43.405  -2.701  13.887
   42   HE22  GLN   6          HE22      GLN   6  42.624  -4.209  13.869
   43    H    ALA   7           HN       ALA   7  43.224  -2.652   9.681
   44    HA   ALA   7           HA       ALA   7  43.374  -0.043  10.787
   45    HB1  ALA   7           HB1      ALA   7  43.411   0.652   8.053
   46    HB2  ALA   7           HB2      ALA   7  44.766  -0.448   8.302
   47    HB3  ALA   7           HB3      ALA   7  44.634   1.018   9.271
   48    H    VAL   8           HN       VAL   8  41.619   1.382   9.918
   49    HA   VAL   8           HA       VAL   8  39.358  -0.238   8.902
   50    HB   VAL   8           HB       VAL   8  39.428   1.909  11.023
   51   HG11  VAL   8          HG11      VAL   8  37.215   1.023   9.214
   52   HG12  VAL   8          HG12      VAL   8  37.527   2.617   9.910
   53   HG13  VAL   8          HG13      VAL   8  36.826   1.338  10.907
   54   HG21  VAL   8          HG21      VAL   8  37.995  -0.736  11.120
   55   HG22  VAL   8          HG22      VAL   8  38.630   0.232  12.452
   56   HG23  VAL   8          HG23      VAL   8  39.733  -0.670  11.415
   57    H    ALA   9           HN       ALA   9  38.385   0.484   7.125
   58    HA   ALA   9           HA       ALA   9  39.396   2.753   5.719
   59    HB1  ALA   9           HB1      ALA   9  37.020   0.946   5.258
   60    HB2  ALA   9           HB2      ALA   9  38.577   0.907   4.435
   61    HB3  ALA   9           HB3      ALA   9  37.468   2.250   4.159
   62    H    PHE  10           HN       PHE  10  36.327   2.076   7.413
   63    HA   PHE  10           HA       PHE  10  35.937   4.972   7.700
   64    HB2  PHE  10           HB2      PHE  10  34.587   4.530   5.828
   65    HB3  PHE  10           HB1      PHE  10  34.056   2.982   6.461
   66    HD1  PHE  10           HD1      PHE  10  34.127   6.098   8.526
   67    HD2  PHE  10           HD2      PHE  10  31.725   3.395   6.201
   68    HE1  PHE  10           HE1      PHE  10  32.077   7.122   9.452
   69    HE2  PHE  10           HE2      PHE  10  29.673   4.433   7.120
   70    HZ   PHE  10           HZ       PHE  10  29.847   6.296   8.746
   71    H    GLN  11           HN       GLN  11  35.424   5.477   9.770
   72    HA   GLN  11           HA       GLN  11  34.130   3.409  11.450
   73    HB2  GLN  11           HB2      GLN  11  36.502   3.505  12.047
   74    HB3  GLN  11           HB1      GLN  11  36.376   5.242  12.313
   75    HG2  GLN  11           HG2      GLN  11  34.764   4.876  14.123
   76    HG3  GLN  11           HG1      GLN  11  34.793   3.139  13.817
   77   HE21  GLN  11          HE21      GLN  11  35.526   4.298  16.365
   78   HE22  GLN  11          HE22      GLN  11  37.177   3.995  16.617
   79    H    PHE  12           HN       PHE  12  32.455   4.037  12.649
   80    HA   PHE  12           HA       PHE  12  31.895   6.933  12.823
   81    HB2  PHE  12           HB2      PHE  12  30.323   6.134  11.267
   82    HB3  PHE  12           HB1      PHE  12  30.127   4.608  12.108
   83    HD1  PHE  12           HD1      PHE  12  30.076   7.894  13.861
   84    HD2  PHE  12           HD2      PHE  12  27.725   4.686  12.250
   85    HE1  PHE  12           HE1      PHE  12  28.103   8.737  15.077
   86    HE2  PHE  12           HE2      PHE  12  25.739   5.552  13.455
   87    HZ   PHE  12           HZ       PHE  12  25.930   7.576  14.866
   88    H    THR  13           HN       THR  13  31.810   7.606  14.873
   89    HA   THR  13           HA       THR  13  30.918   5.700  16.960
   90    HB   THR  13           HB       THR  13  32.867   7.828  17.650
   91    HG1  THR  13           HG1      THR  13  34.492   6.837  16.721
   92   HG21  THR  13          HG21      THR  13  32.440   4.973  18.560
   93   HG22  THR  13          HG22      THR  13  31.861   6.421  19.383
   94   HG23  THR  13          HG23      THR  13  33.591   6.109  19.261
   95    H    VAL  14           HN       VAL  14  29.399   6.365  18.265
   96    HA   VAL  14           HA       VAL  14  28.450   9.123  17.998
   97    HB   VAL  14           HB       VAL  14  26.784   7.379  17.635
   98   HG11  VAL  14          HG11      VAL  14  26.643   5.514  18.904
   99   HG12  VAL  14          HG12      VAL  14  26.643   6.448  20.399
  100   HG13  VAL  14          HG13      VAL  14  28.169   6.017  19.628
  101   HG21  VAL  14          HG21      VAL  14  25.096   8.259  19.058
  102   HG22  VAL  14          HG22      VAL  14  26.274   9.563  18.903
  103   HG23  VAL  14          HG23      VAL  14  26.246   8.567  20.359
  104    H    THR  15           HN       THR  15  28.848  10.598  19.550
  105    HA   THR  15           HA       THR  15  29.588   9.605  22.241
  106    HB   THR  15           HB       THR  15  30.598  12.098  22.233
  107    HG1  THR  15           HG1      THR  15  31.654  11.893  19.928
  108   HG21  THR  15          HG21      THR  15  32.045  10.360  22.820
  109   HG22  THR  15          HG22      THR  15  32.762  10.957  21.321
  110   HG23  THR  15          HG23      THR  15  31.775   9.495  21.303
  111    HA   PRO  16           HA       PRO  16  26.078  11.765  23.808
  112    HB2  PRO  16           HB2      PRO  16  27.183  13.155  25.959
  113    HB3  PRO  16           HB1      PRO  16  26.667  11.457  26.009
  114    HG2  PRO  16           HG2      PRO  16  29.398  12.597  25.646
  115    HG3  PRO  16           HG1      PRO  16  28.882  11.167  26.559
  116    HD2  PRO  16           HD2      PRO  16  30.057  10.925  24.148
  117    HD3  PRO  16           HD1      PRO  16  28.755   9.824  24.650
  118    H    ASP  17           HN       ASP  17  29.035  13.468  23.007
  119    HA   ASP  17           HA       ASP  17  27.771  16.080  22.987
  120    HB2  ASP  17           HB2      ASP  17  29.961  16.812  22.081
  121    HB3  ASP  17           HB1      ASP  17  30.109  15.932  23.602
  122    H    GLY  18           HN       GLY  18  28.115  13.425  20.737
  123    HA2  GLY  18           HA2      GLY  18  26.476  14.411  18.802
  124    HA3  GLY  18           HA1      GLY  18  28.030  15.119  18.376
  125    H    ILE  19           HN       ILE  19  28.536  13.986  16.525
  126    HA   ILE  19           HA       ILE  19  28.895  11.084  16.814
  127    HB   ILE  19           HB       ILE  19  28.265  10.943  14.376
  128   HG12  ILE  19          HG12      ILE  19  27.111  13.698  14.879
  129   HG13  ILE  19          HG11      ILE  19  28.559  13.389  13.921
  130   HG21  ILE  19          HG21      ILE  19  26.046  11.990  16.142
  131   HG22  ILE  19          HG22      ILE  19  26.727  10.371  16.299
  132   HG23  ILE  19          HG23      ILE  19  25.899  10.841  14.815
  133   HD11  ILE  19          HD11      ILE  19  26.424  11.650  13.051
  134   HD12  ILE  19          HD12      ILE  19  27.311  12.859  12.122
  135   HD13  ILE  19          HD13      ILE  19  25.876  13.328  13.034
  136    H    ASP  20           HN       ASP  20  30.612  10.255  15.700
  137    HA   ASP  20           HA       ASP  20  32.526  12.194  14.532
  138    HB2  ASP  20           HB2      ASP  20  33.079   9.839  16.355
  139    HB3  ASP  20           HB1      ASP  20  34.329  10.689  15.449
  140    H    LEU  21           HN       LEU  21  33.365  11.623  12.548
  141    HA   LEU  21           HA       LEU  21  32.948   8.837  11.652
  142    HB2  LEU  21           HB2      LEU  21  32.537  11.315   9.941
  143    HB3  LEU  21           HB1      LEU  21  32.273   9.644   9.457
  144    HG   LEU  21           HG       LEU  21  30.747  10.875  11.764
  145   HD11  LEU  21          HD11      LEU  21  28.906  11.251  10.109
  146   HD12  LEU  21          HD12      LEU  21  30.042  10.872   8.813
  147   HD13  LEU  21          HD13      LEU  21  30.303  12.291   9.829
  148   HD21  LEU  21          HD21      LEU  21  30.687   8.424  11.561
  149   HD22  LEU  21          HD22      LEU  21  30.214   8.560   9.872
  150   HD23  LEU  21          HD23      LEU  21  29.118   9.100  11.141
  151    H    ARG  22           HN       ARG  22  34.843   8.017  11.141
  152    HA   ARG  22           HA       ARG  22  36.992   9.829  10.184
  153    HB2  ARG  22           HB2      ARG  22  37.200   7.396  11.968
  154    HB3  ARG  22           HB1      ARG  22  38.584   8.247  11.281
  155    HG2  ARG  22           HG2      ARG  22  37.885  10.322  12.397
  156    HG3  ARG  22           HG1      ARG  22  36.473   9.504  13.062
  157    HD2  ARG  22           HD2      ARG  22  37.961   7.940  14.280
  158    HD3  ARG  22           HD1      ARG  22  39.363   8.781  13.628
  159    HE   ARG  22           HE       ARG  22  38.938  10.569  15.090
  160   HH11  ARG  22          HH21      ARG  22  36.415   8.187  15.152
  161   HH12  ARG  22          HH22      ARG  22  35.672   8.819  16.581
  162   HH21  ARG  22          HH11      ARG  22  37.958  11.390  16.973
  163   HH22  ARG  22          HH12      ARG  22  36.541  10.625  17.610
  164    H    LEU  23           HN       LEU  23  38.084   9.310   8.358
  165    HA   LEU  23           HA       LEU  23  37.713   6.609   7.289
  166    HB2  LEU  23           HB2      LEU  23  37.340   9.135   5.663
  167    HB3  LEU  23           HB1      LEU  23  37.282   7.484   5.055
  168    HG   LEU  23           HG       LEU  23  35.445   7.286   7.021
  169   HD11  LEU  23          HD11      LEU  23  34.835  10.012   5.917
  170   HD12  LEU  23          HD12      LEU  23  35.887   9.878   7.326
  171   HD13  LEU  23          HD13      LEU  23  34.241   9.252   7.393
  172   HD21  LEU  23          HD21      LEU  23  33.756   7.789   5.175
  173   HD22  LEU  23          HD22      LEU  23  35.004   6.617   4.754
  174   HD23  LEU  23          HD23      LEU  23  35.125   8.277   4.178
  175    H    SER  24           HN       SER  24  39.531   5.784   6.448
  176    HA   SER  24           HA       SER  24  41.982   7.273   6.648
  177    HB2  SER  24           HB2      SER  24  43.083   5.272   6.169
  178    HB3  SER  24           HB1      SER  24  41.606   4.718   6.954
  179    HG   SER  24           HG       SER  24  40.725   4.519   4.795
  180    H    HIS  25           HN       HIS  25  43.439   7.732   4.936
  181    HA   HIS  25           HA       HIS  25  42.331   9.060   2.737
  182    HB2  HIS  25           HB2      HIS  25  45.117   7.943   3.112
  183    HB3  HIS  25           HB1      HIS  25  44.652   9.060   1.828
  184    HD2  HIS  25           HD2      HIS  25  43.877  11.689   2.780
  185    HE1  HIS  25           HE1      HIS  25  45.497  11.132   6.639
  186    HE2  HIS  25           HE2      HIS  25  44.536  12.843   5.028
  187    H    GLU  26           HN       GLU  26  43.245   5.759   3.186
  188    HA   GLU  26           HA       GLU  26  43.328   4.972   0.450
  189    HB2  GLU  26           HB2      GLU  26  44.273   3.596   2.300
  190    HB3  GLU  26           HB1      GLU  26  42.630   3.276   2.859
  191    HG2  GLU  26           HG2      GLU  26  42.072   2.238   0.706
  192    HG3  GLU  26           HG1      GLU  26  43.688   2.594   0.101
  193    H    ALA  27           HN       ALA  27  40.801   5.119   2.896
  194    HA   ALA  27           HA       ALA  27  38.756   3.835   1.470
  195    HB1  ALA  27           HB1      ALA  27  38.101   6.161   3.223
  196    HB2  ALA  27           HB2      ALA  27  38.894   4.762   3.947
  197    HB3  ALA  27           HB3      ALA  27  37.342   4.571   3.131
  198    H    LEU  28           HN       LEU  28  40.029   7.058   1.333
  199    HA   LEU  28           HA       LEU  28  37.960   8.207  -0.291
  200    HB2  LEU  28           HB2      LEU  28  40.811   9.051   0.254
  201    HB3  LEU  28           HB1      LEU  28  39.713   9.985  -0.756
  202    HG   LEU  28           HG       LEU  28  39.112   9.172   2.105
  203   HD11  LEU  28          HD11      LEU  28  40.850  11.229   1.098
  204   HD12  LEU  28          HD12      LEU  28  40.447  10.850   2.772
  205   HD13  LEU  28          HD13      LEU  28  39.446  11.977   1.860
  206   HD21  LEU  28          HD21      LEU  28  37.559  11.312   1.638
  207   HD22  LEU  28          HD22      LEU  28  37.028   9.676   1.258
  208   HD23  LEU  28          HD23      LEU  28  37.672  10.711  -0.012
  209    H    ARG  29           HN       ARG  29  41.064   6.687  -0.955
  210    HA   ARG  29           HA       ARG  29  41.168   7.241  -3.714
  211    HB2  ARG  29           HB2      ARG  29  42.386   5.041  -2.042
  212    HB3  ARG  29           HB1      ARG  29  42.737   5.256  -3.758
  213    HG2  ARG  29           HG2      ARG  29  43.570   7.513  -3.346
  214    HG3  ARG  29           HG1      ARG  29  43.118   7.398  -1.645
  215    HD2  ARG  29           HD2      ARG  29  45.516   6.950  -1.891
  216    HD3  ARG  29           HD1      ARG  29  44.681   5.488  -1.376
  217    HE   ARG  29           HE       ARG  29  45.074   4.542  -3.489
  218   HH11  ARG  29          HH21      ARG  29  46.100   7.854  -3.297
  219   HH12  ARG  29          HH22      ARG  29  46.993   7.799  -4.780
  220   HH21  ARG  29          HH11      ARG  29  46.236   4.481  -5.434
  221   HH22  ARG  29          HH12      ARG  29  47.068   5.897  -5.988
  222    H    GLN  30           HN       GLN  30  39.685   4.554  -1.938
  223    HA   GLN  30           HA       GLN  30  39.068   3.036  -4.275
  224    HB2  GLN  30           HB2      GLN  30  37.939   2.985  -1.469
  225    HB3  GLN  30           HB1      GLN  30  37.524   1.813  -2.723
  226    HG2  GLN  30           HG2      GLN  30  39.882   1.181  -2.947
  227    HG3  GLN  30           HG1      GLN  30  40.332   2.377  -1.733
  228   HE21  GLN  30          HE21      GLN  30  41.186   0.130  -0.786
  229   HE22  GLN  30          HE22      GLN  30  40.104  -0.664   0.254
  230    H    ILE  31           HN       ILE  31  37.305   5.398  -2.311
  231    HA   ILE  31           HA       ILE  31  34.836   5.114  -3.633
  232    HB   ILE  31           HB       ILE  31  36.008   7.443  -2.108
  233   HG12  ILE  31          HG12      ILE  31  33.823   5.481  -1.346
  234   HG13  ILE  31          HG11      ILE  31  35.516   5.238  -0.921
  235   HG21  ILE  31          HG21      ILE  31  33.358   7.041  -3.468
  236   HG22  ILE  31          HG22      ILE  31  34.367   8.486  -3.410
  237   HG23  ILE  31          HG23      ILE  31  33.443   8.000  -1.992
  238   HD11  ILE  31          HD11      ILE  31  35.466   6.840   0.697
  239   HD12  ILE  31          HD12      ILE  31  33.720   6.607   0.629
  240   HD13  ILE  31          HD13      ILE  31  34.468   7.921  -0.277
  241    H    TYR  32           HN       TYR  32  37.515   7.453  -4.291
  242    HA   TYR  32           HA       TYR  32  36.154   8.856  -6.328
  243    HB2  TYR  32           HB2      TYR  32  38.139   9.764  -5.291
  244    HB3  TYR  32           HB1      TYR  32  39.110   8.411  -5.867
  245    HD1  TYR  32           HD2      TYR  32  36.782  11.043  -7.194
  246    HD2  TYR  32           HD1      TYR  32  40.320   8.687  -7.849
  247    HE1  TYR  32           HE2      TYR  32  37.204  12.263  -9.314
  248    HE2  TYR  32           HE1      TYR  32  40.737   9.904  -9.967
  249    HH   TYR  32           HH       TYR  32  38.997  11.259 -11.682
  250    H    LEU  33           HN       LEU  33  38.462   6.143  -6.549
  251    HA   LEU  33           HA       LEU  33  38.386   5.888  -9.359
  252    HB2  LEU  33           HB2      LEU  33  38.988   3.913  -7.155
  253    HB3  LEU  33           HB1      LEU  33  39.155   3.510  -8.859
  254    HG   LEU  33           HG       LEU  33  40.511   5.888  -7.561
  255   HD11  LEU  33          HD11      LEU  33  41.286   3.016  -7.728
  256   HD12  LEU  33          HD12      LEU  33  41.679   4.219  -6.500
  257   HD13  LEU  33          HD13      LEU  33  42.551   4.210  -8.032
  258   HD21  LEU  33          HD21      LEU  33  42.002   5.143  -9.740
  259   HD22  LEU  33          HD22      LEU  33  40.767   6.401  -9.767
  260   HD23  LEU  33          HD23      LEU  33  40.375   4.767 -10.299
  261    H    SER  34           HN       SER  34  36.445   4.349  -6.798
  262    HA   SER  34           HA       SER  34  34.966   2.594  -8.412
  263    HB2  SER  34           HB2      SER  34  34.992   2.488  -5.956
  264    HB3  SER  34           HB1      SER  34  34.140   4.029  -5.879
  265    HG   SER  34           HG       SER  34  33.220   1.616  -7.065
  266    H    GLY  35           HN       GLY  35  34.503   5.979  -7.584
  267    HA2  GLY  35           HA2      GLY  35  31.929   6.274  -8.766
  268    HA3  GLY  35           HA1      GLY  35  33.020   7.578  -8.313
  269    H    LEU  36           HN       LEU  36  35.233   6.696  -9.936
  270    HA   LEU  36           HA       LEU  36  34.652   8.049 -12.314
  271    HB2  LEU  36           HB2      LEU  36  36.909   6.294 -11.435
  272    HB3  LEU  36           HB1      LEU  36  36.833   6.860 -13.101
  273    HG   LEU  36           HG       LEU  36  36.627   8.710 -10.711
  274   HD11  LEU  36          HD11      LEU  36  39.063   9.254 -11.667
  275   HD12  LEU  36          HD12      LEU  36  38.989   7.552 -12.127
  276   HD13  LEU  36          HD13      LEU  36  38.811   8.017 -10.433
  277   HD21  LEU  36          HD21      LEU  36  36.122  10.230 -12.302
  278   HD22  LEU  36          HD22      LEU  36  36.345   9.040 -13.579
  279   HD23  LEU  36          HD23      LEU  36  37.721   9.970 -12.995
  280    H    HIS  37           HN       HIS  37  34.647   4.615 -11.538
  281    HA   HIS  37           HA       HIS  37  34.234   3.736 -14.246
  282    HB2  HIS  37           HB2      HIS  37  33.972   2.403 -11.548
  283    HB3  HIS  37           HB1      HIS  37  33.569   1.576 -13.051
  284    HD2  HIS  37           HD2      HIS  37  35.763   0.616 -14.469
  285    HE1  HIS  37           HE1      HIS  37  38.770   2.393 -12.099
  286    HE2  HIS  37           HE2      HIS  37  38.330   0.786 -14.016
  287    H    SER  38           HN       SER  38  32.250   4.621 -11.517
  288    HA   SER  38           HA       SER  38  29.773   3.569 -12.394
  289    HB2  SER  38           HB2      SER  38  30.360   5.966 -10.645
  290    HB3  SER  38           HB1      SER  38  28.767   5.248 -10.859
  291    HG   SER  38           HG       SER  38  31.093   3.917  -9.908
  292    H    TRP  39           HN       TRP  39  31.289   6.793 -12.886
  293    HA   TRP  39           HA       TRP  39  29.087   7.824 -14.349
  294    HB2  TRP  39           HB2      TRP  39  30.737   9.287 -13.285
  295    HB3  TRP  39           HB1      TRP  39  31.990   8.667 -14.357
  296    HD1  TRP  39           HD1      TRP  39  32.321   9.935 -16.532
  297    HE1  TRP  39           HE1      TRP  39  30.957  11.639 -17.902
  298    HE3  TRP  39           HE3      TRP  39  27.999   9.987 -13.814
  299    HZ2  TRP  39           HZ2      TRP  39  28.371  12.865 -17.848
  300    HZ3  TRP  39           HZ3      TRP  39  26.103  11.429 -14.496
  301    HH2  TRP  39           HH2      TRP  39  26.284  12.865 -16.507
  302    H    LYS  40           HN       LYS  40  32.007   6.059 -15.259
  303    HA   LYS  40           HA       LYS  40  31.485   6.391 -18.098
  304    HB2  LYS  40           HB2      LYS  40  33.545   4.773 -16.583
  305    HB3  LYS  40           HB1      LYS  40  33.446   4.842 -18.346
  306    HG2  LYS  40           HG2      LYS  40  33.694   7.292 -18.270
  307    HG3  LYS  40           HG1      LYS  40  33.788   7.232 -16.514
  308    HD2  LYS  40           HD2      LYS  40  35.821   5.825 -16.682
  309    HD3  LYS  40           HD1      LYS  40  35.740   5.946 -18.442
  310    HE2  LYS  40           HE2      LYS  40  35.927   8.329 -16.584
  311    HE3  LYS  40           HE1      LYS  40  37.305   7.613 -17.420
  312    HZ1  LYS  40           HZ1      LYS  40  36.480   8.226 -19.479
  313    HZ2  LYS  40           HZ2      LYS  40  36.117   9.575 -18.512
  314    HZ3  LYS  40           HZ3      LYS  40  34.901   8.457 -18.904
  315    H    LYS  41           HN       LYS  41  30.724   4.861 -19.510
  316    HA   LYS  41           HA       LYS  41  29.151   2.709 -18.316
  317    HB2  LYS  41           HB2      LYS  41  29.321   3.756 -21.155
  318    HB3  LYS  41           HB1      LYS  41  28.248   2.456 -20.632
  319    HG2  LYS  41           HG2      LYS  41  27.189   3.981 -19.004
  320    HG3  LYS  41           HG1      LYS  41  28.259   5.279 -19.523
  321    HD2  LYS  41           HD2      LYS  41  27.320   5.169 -21.795
  322    HD3  LYS  41           HD1      LYS  41  26.254   3.851 -21.295
  323    HE2  LYS  41           HE2      LYS  41  25.213   5.332 -19.612
  324    HE3  LYS  41           HE1      LYS  41  26.272   6.649 -20.112
  325    HZ1  LYS  41           HZ1      LYS  41  25.143   5.790 -22.434
  326    HZ2  LYS  41           HZ2      LYS  41  24.675   7.158 -21.544
  327    HZ3  LYS  41           HZ3      LYS  41  23.866   5.681 -21.323
  328    H    LYS  42           HN       LYS  42  29.239   0.532 -19.103
  329    HA   LYS  42           HA       LYS  42  31.854  -0.230 -20.268
  330    HB2  LYS  42           HB2      LYS  42  30.299  -1.568 -18.047
  331    HB3  LYS  42           HB1      LYS  42  31.688  -2.297 -18.857
  332    HG2  LYS  42           HG2      LYS  42  33.088  -0.381 -18.205
  333    HG3  LYS  42           HG1      LYS  42  31.705   0.363 -17.402
  334    HD2  LYS  42           HD2      LYS  42  31.550  -1.583 -15.883
  335    HD3  LYS  42           HD1      LYS  42  32.949  -2.305 -16.681
  336    HE2  LYS  42           HE2      LYS  42  34.345  -0.400 -16.035
  337    HE3  LYS  42           HE1      LYS  42  32.955   0.390 -15.287
  338    HZ1  LYS  42           HZ1      LYS  42  32.957  -1.040 -13.543
  339    HZ2  LYS  42           HZ2      LYS  42  34.619  -1.082 -13.906
  340    HZ3  LYS  42           HZ3      LYS  42  33.597  -2.333 -14.438
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  22.876 -12.146   3.239
    2    H2   MET   1           HT2      MET   1  24.048 -12.497   2.059
    3    H3   MET   1           HT3      MET   1  23.986 -10.954   2.768
    4    HA   MET   1           HA       MET   1  24.355 -12.229   4.969
    5    HB2  MET   1           HB2      MET   1  25.470 -14.112   2.860
    6    HB3  MET   1           HB1      MET   1  25.755 -14.254   4.593
    7    HG2  MET   1           HG2      MET   1  23.047 -14.387   3.228
    8    HG3  MET   1           HG1      MET   1  23.936 -15.765   3.866
    9    HE1  MET   1           HE1      MET   1  24.854 -15.911   5.988
   10    HE2  MET   1           HE2      MET   1  23.711 -15.952   7.327
   11    HE3  MET   1           HE3      MET   1  24.829 -14.600   7.174
   12    H    ALA   2           HN       ALA   2  25.467 -10.320   5.252
   13    HA   ALA   2           HA       ALA   2  27.621  -9.464   3.583
   14    HB1  ALA   2           HB1      ALA   2  27.678  -7.591   4.891
   15    HB2  ALA   2           HB2      ALA   2  27.439  -8.495   6.387
   16    HB3  ALA   2           HB3      ALA   2  26.069  -8.168   5.326
   17    H    GLU   3           HN       GLU   3  29.823  -9.404   3.993
   18    HA   GLU   3           HA       GLU   3  30.789 -11.390   5.960
   19    HB2  GLU   3           HB2      GLU   3  31.910 -10.562   3.277
   20    HB3  GLU   3           HB1      GLU   3  32.776 -11.581   4.427
   21    HG2  GLU   3           HG2      GLU   3  30.929 -13.219   4.370
   22    HG3  GLU   3           HG1      GLU   3  30.064 -12.201   3.219
   23    H    ALA   4           HN       ALA   4  31.889 -10.589   7.611
   24    HA   ALA   4           HA       ALA   4  32.650  -7.833   7.758
   25    HB1  ALA   4           HB1      ALA   4  33.213 -10.183   9.580
   26    HB2  ALA   4           HB2      ALA   4  31.948  -8.969   9.771
   27    HB3  ALA   4           HB3      ALA   4  33.642  -8.515   9.955
   28    H    HIS   5           HN       HIS   5  34.720  -6.942   7.890
   29    HA   HIS   5           HA       HIS   5  36.926  -8.639   6.874
   30    HB2  HIS   5           HB2      HIS   5  36.324  -5.746   6.218
   31    HB3  HIS   5           HB1      HIS   5  37.786  -6.602   5.733
   32    HD2  HIS   5           HD2      HIS   5  34.209  -6.079   4.473
   33    HE1  HIS   5           HE1      HIS   5  35.734  -9.369   2.312
   34    HE2  HIS   5           HE2      HIS   5  33.829  -7.697   2.461
   35    H    GLN   6           HN       GLN   6  38.896  -8.414   7.879
   36    HA   GLN   6           HA       GLN   6  38.933  -7.354  10.503
   37    HB2  GLN   6           HB2      GLN   6  41.187  -8.231   8.684
   38    HB3  GLN   6           HB1      GLN   6  41.404  -7.781  10.376
   39    HG2  GLN   6           HG2      GLN   6  39.820  -9.534  11.058
   40    HG3  GLN   6           HG1      GLN   6  39.580  -9.983   9.371
   41   HE21  GLN   6          HE21      GLN   6  40.656 -11.955   9.096
   42   HE22  GLN   6          HE22      GLN   6  42.237 -12.272   9.629
   43    H    ALA   7           HN       ALA   7  40.100  -6.116   7.400
   44    HA   ALA   7           HA       ALA   7  41.395  -3.816   8.496
   45    HB1  ALA   7           HB1      ALA   7  40.763  -3.157   5.890
   46    HB2  ALA   7           HB2      ALA   7  40.847  -4.918   5.845
   47    HB3  ALA   7           HB3      ALA   7  42.230  -3.984   6.413
   48    H    VAL   8           HN       VAL   8  40.697  -1.716   8.671
   49    HA   VAL   8           HA       VAL   8  37.808  -1.221   8.251
   50    HB   VAL   8           HB       VAL   8  39.574  -0.403  10.565
   51   HG11  VAL   8          HG11      VAL   8  37.122   0.554  11.195
   52   HG12  VAL   8          HG12      VAL   8  37.099   0.794   9.448
   53   HG13  VAL   8          HG13      VAL   8  38.370   1.533  10.425
   54   HG21  VAL   8          HG21      VAL   8  38.351  -1.877  11.820
   55   HG22  VAL   8          HG22      VAL   8  38.089  -2.658  10.259
   56   HG23  VAL   8          HG23      VAL   8  36.868  -1.569  10.918
   57    H    ALA   9           HN       ALA   9  37.341   0.570   7.086
   58    HA   ALA   9           HA       ALA   9  39.516   2.522   6.609
   59    HB1  ALA   9           HB1      ALA   9  37.820   2.649   4.411
   60    HB2  ALA   9           HB2      ALA   9  37.937   0.924   4.760
   61    HB3  ALA   9           HB3      ALA   9  39.399   1.864   4.464
   62    H    PHE  10           HN       PHE  10  36.331   1.966   7.666
   63    HA   PHE  10           HA       PHE  10  35.867   4.853   7.831
   64    HB2  PHE  10           HB2      PHE  10  33.338   4.028   7.409
   65    HB3  PHE  10           HB1      PHE  10  34.384   4.626   6.137
   66    HD1  PHE  10           HD1      PHE  10  34.820   1.240   7.732
   67    HD2  PHE  10           HD2      PHE  10  33.375   3.465   4.348
   68    HE1  PHE  10           HE1      PHE  10  34.607  -0.852   6.450
   69    HE2  PHE  10           HE2      PHE  10  33.145   1.355   3.075
   70    HZ   PHE  10           HZ       PHE  10  33.759  -0.802   4.124
   71    H    GLN  11           HN       GLN  11  35.290   5.488   9.858
   72    HA   GLN  11           HA       GLN  11  33.956   3.475  11.583
   73    HB2  GLN  11           HB2      GLN  11  36.300   5.216  12.318
   74    HB3  GLN  11           HB1      GLN  11  35.307   4.374  13.501
   75    HG2  GLN  11           HG2      GLN  11  35.845   2.226  12.449
   76    HG3  GLN  11           HG1      GLN  11  36.797   3.054  11.219
   77   HE21  GLN  11          HE21      GLN  11  37.170   1.345  14.029
   78   HE22  GLN  11          HE22      GLN  11  38.607   2.044  14.601
   79    H    PHE  12           HN       PHE  12  32.273   4.129  12.745
   80    HA   PHE  12           HA       PHE  12  31.769   7.030  12.960
   81    HB2  PHE  12           HB2      PHE  12  30.184   6.348  11.397
   82    HB3  PHE  12           HB1      PHE  12  29.984   4.766  12.131
   83    HD1  PHE  12           HD1      PHE  12  29.899   7.971  14.071
   84    HD2  PHE  12           HD2      PHE  12  27.608   4.810  12.279
   85    HE1  PHE  12           HE1      PHE  12  27.888   8.721  15.307
   86    HE2  PHE  12           HE2      PHE  12  25.597   5.578  13.501
   87    HZ   PHE  12           HZ       PHE  12  25.733   7.534  15.014
   88    H    THR  13           HN       THR  13  31.732   7.648  15.035
   89    HA   THR  13           HA       THR  13  30.797   5.692  17.072
   90    HB   THR  13           HB       THR  13  32.719   7.769  17.916
   91    HG1  THR  13           HG1      THR  13  33.288   6.362  15.826
   92   HG21  THR  13          HG21      THR  13  31.702   6.093  19.443
   93   HG22  THR  13          HG22      THR  13  33.460   5.959  19.377
   94   HG23  THR  13          HG23      THR  13  32.454   4.809  18.495
   95    H    VAL  14           HN       VAL  14  29.255   6.338  18.396
   96    HA   VAL  14           HA       VAL  14  28.365   9.130  18.234
   97    HB   VAL  14           HB       VAL  14  26.667   7.404  17.816
   98   HG11  VAL  14          HG11      VAL  14  28.007   5.960  19.733
   99   HG12  VAL  14          HG12      VAL  14  26.398   5.570  19.124
  100   HG13  VAL  14          HG13      VAL  14  26.576   6.494  20.615
  101   HG21  VAL  14          HG21      VAL  14  25.724   8.241  20.453
  102   HG22  VAL  14          HG22      VAL  14  25.125   8.692  18.857
  103   HG23  VAL  14          HG23      VAL  14  26.482   9.566  19.570
  104    H    THR  15           HN       THR  15  28.818  10.534  19.845
  105    HA   THR  15           HA       THR  15  29.472   9.391  22.492
  106    HB   THR  15           HB       THR  15  30.741  11.807  22.497
  107    HG1  THR  15           HG1      THR  15  31.655  10.918  20.092
  108   HG21  THR  15          HG21      THR  15  32.815  10.448  21.980
  109   HG22  THR  15          HG22      THR  15  31.748   9.089  21.624
  110   HG23  THR  15          HG23      THR  15  31.788   9.775  23.248
  111    HA   PRO  16           HA       PRO  16  26.239  11.829  24.278
  112    HB2  PRO  16           HB2      PRO  16  28.213  13.184  26.037
  113    HB3  PRO  16           HB1      PRO  16  26.769  12.256  26.475
  114    HG2  PRO  16           HG2      PRO  16  29.314  11.343  26.753
  115    HG3  PRO  16           HG1      PRO  16  27.898  10.301  26.557
  116    HD2  PRO  16           HD2      PRO  16  30.079  10.834  24.656
  117    HD3  PRO  16           HD1      PRO  16  28.875   9.527  24.663
  118    H    ASP  17           HN       ASP  17  29.321  13.482  23.506
  119    HA   ASP  17           HA       ASP  17  28.130  16.083  23.323
  120    HB2  ASP  17           HB2      ASP  17  30.816  14.986  22.495
  121    HB3  ASP  17           HB1      ASP  17  30.354  16.671  22.260
  122    H    GLY  18           HN       GLY  18  28.321  13.396  21.064
  123    HA2  GLY  18           HA2      GLY  18  26.643  14.437  19.210
  124    HA3  GLY  18           HA1      GLY  18  28.191  15.121  18.730
  125    H    ILE  19           HN       ILE  19  28.673  14.008  16.888
  126    HA   ILE  19           HA       ILE  19  28.981  11.098  17.118
  127    HB   ILE  19           HB       ILE  19  28.211  10.945  14.757
  128   HG12  ILE  19          HG12      ILE  19  27.284  13.794  15.196
  129   HG13  ILE  19          HG11      ILE  19  28.649  13.332  14.182
  130   HG21  ILE  19          HG21      ILE  19  25.784  12.071  15.781
  131   HG22  ILE  19          HG22      ILE  19  26.647  11.291  17.107
  132   HG23  ILE  19          HG23      ILE  19  26.234  10.371  15.660
  133   HD11  ILE  19          HD11      ILE  19  25.849  13.339  13.524
  134   HD12  ILE  19          HD12      ILE  19  26.481  11.699  13.384
  135   HD13  ILE  19          HD13      ILE  19  27.228  13.013  12.477
  136    H    ASP  20           HN       ASP  20  30.636  10.279  15.885
  137    HA   ASP  20           HA       ASP  20  32.497  12.248  14.681
  138    HB2  ASP  20           HB2      ASP  20  33.308  11.432  16.883
  139    HB3  ASP  20           HB1      ASP  20  33.273   9.787  16.254
  140    H    LEU  21           HN       LEU  21  33.391  11.684  12.723
  141    HA   LEU  21           HA       LEU  21  32.836   8.963  11.722
  142    HB2  LEU  21           HB2      LEU  21  32.434  11.571  10.212
  143    HB3  LEU  21           HB1      LEU  21  32.286   9.963   9.514
  144    HG   LEU  21           HG       LEU  21  30.617  10.952  11.843
  145   HD11  LEU  21          HD11      LEU  21  30.412  11.480   8.982
  146   HD12  LEU  21          HD12      LEU  21  29.505  12.186  10.319
  147   HD13  LEU  21          HD13      LEU  21  28.974  10.665   9.602
  148   HD21  LEU  21          HD21      LEU  21  29.151   9.004  10.812
  149   HD22  LEU  21          HD22      LEU  21  30.469   8.634  11.916
  150   HD23  LEU  21          HD23      LEU  21  30.701   8.446  10.183
  151    H    ARG  22           HN       ARG  22  34.723   8.105  11.198
  152    HA   ARG  22           HA       ARG  22  36.902   9.890  10.260
  153    HB2  ARG  22           HB2      ARG  22  37.063   7.320  11.830
  154    HB3  ARG  22           HB1      ARG  22  38.458   8.135  11.131
  155    HG2  ARG  22           HG2      ARG  22  38.008  10.131  12.446
  156    HG3  ARG  22           HG1      ARG  22  36.517   9.424  13.069
  157    HD2  ARG  22           HD2      ARG  22  38.263   9.185  14.743
  158    HD3  ARG  22           HD1      ARG  22  37.869   7.593  14.101
  159    HE   ARG  22           HE       ARG  22  40.027   8.769  12.651
  160   HH11  ARG  22          HH21      ARG  22  39.171   7.250  15.647
  161   HH12  ARG  22          HH22      ARG  22  40.762   6.633  15.946
  162   HH21  ARG  22          HH11      ARG  22  42.113   7.981  13.041
  163   HH22  ARG  22          HH12      ARG  22  42.432   7.043  14.462
  164    H    LEU  23           HN       LEU  23  37.924   9.459   8.379
  165    HA   LEU  23           HA       LEU  23  37.304   6.906   7.062
  166    HB2  LEU  23           HB2      LEU  23  37.138   9.675   5.824
  167    HB3  LEU  23           HB1      LEU  23  36.972   8.158   4.945
  168    HG   LEU  23           HG       LEU  23  35.177   8.999   7.248
  169   HD11  LEU  23          HD11      LEU  23  34.865  10.525   5.376
  170   HD12  LEU  23          HD12      LEU  23  33.492   9.420   5.454
  171   HD13  LEU  23          HD13      LEU  23  34.757   9.172   4.250
  172   HD21  LEU  23          HD21      LEU  23  35.488   6.568   5.625
  173   HD22  LEU  23          HD22      LEU  23  33.837   7.185   5.646
  174   HD23  LEU  23          HD23      LEU  23  34.651   6.794   7.161
  175    H    SER  24           HN       SER  24  39.066   6.060   6.117
  176    HA   SER  24           HA       SER  24  41.625   7.357   6.463
  177    HB2  SER  24           HB2      SER  24  42.577   5.286   5.977
  178    HB3  SER  24           HB1      SER  24  41.021   4.820   6.658
  179    HG   SER  24           HG       SER  24  41.289   3.714   4.749
  180    H    HIS  25           HN       HIS  25  43.160   7.779   4.795
  181    HA   HIS  25           HA       HIS  25  42.151   9.147   2.538
  182    HB2  HIS  25           HB2      HIS  25  44.942   8.071   3.074
  183    HB3  HIS  25           HB1      HIS  25  44.527   9.142   1.736
  184    HD2  HIS  25           HD2      HIS  25  45.533   9.434   5.423
  185    HE1  HIS  25           HE1      HIS  25  43.868  13.169   4.363
  186    HE2  HIS  25           HE2      HIS  25  45.175  11.919   6.147
  187    H    GLU  26           HN       GLU  26  43.108   5.853   3.113
  188    HA   GLU  26           HA       GLU  26  43.263   5.017   0.388
  189    HB2  GLU  26           HB2      GLU  26  42.720   3.424   2.908
  190    HB3  GLU  26           HB1      GLU  26  42.978   2.711   1.315
  191    HG2  GLU  26           HG2      GLU  26  45.201   3.725   1.182
  192    HG3  GLU  26           HG1      GLU  26  44.950   4.524   2.733
  193    H    ALA  27           HN       ALA  27  40.658   5.221   2.755
  194    HA   ALA  27           HA       ALA  27  38.677   3.835   1.302
  195    HB1  ALA  27           HB1      ALA  27  37.222   4.544   2.934
  196    HB2  ALA  27           HB2      ALA  27  37.888   6.177   2.971
  197    HB3  ALA  27           HB3      ALA  27  38.740   4.858   3.775
  198    H    LEU  28           HN       LEU  28  39.916   7.079   1.165
  199    HA   LEU  28           HA       LEU  28  37.887   8.195  -0.527
  200    HB2  LEU  28           HB2      LEU  28  40.729   9.070   0.010
  201    HB3  LEU  28           HB1      LEU  28  39.573  10.002  -0.932
  202    HG   LEU  28           HG       LEU  28  39.145   9.122   1.937
  203   HD11  LEU  28          HD11      LEU  28  39.305  11.925   1.743
  204   HD12  LEU  28          HD12      LEU  28  40.654  11.307   0.790
  205   HD13  LEU  28          HD13      LEU  28  40.482  10.841   2.482
  206   HD21  LEU  28          HD21      LEU  28  37.455  11.203   1.511
  207   HD22  LEU  28          HD22      LEU  28  36.988   9.522   1.267
  208   HD23  LEU  28          HD23      LEU  28  37.481  10.507  -0.108
  209    H    ARG  29           HN       ARG  29  41.037   6.713  -1.095
  210    HA   ARG  29           HA       ARG  29  41.209   7.251  -3.848
  211    HB2  ARG  29           HB2      ARG  29  43.121   6.453  -2.492
  212    HB3  ARG  29           HB1      ARG  29  42.340   4.881  -2.333
  213    HG2  ARG  29           HG2      ARG  29  42.414   4.583  -4.779
  214    HG3  ARG  29           HG1      ARG  29  43.174   6.167  -4.955
  215    HD2  ARG  29           HD2      ARG  29  45.043   5.371  -3.491
  216    HD3  ARG  29           HD1      ARG  29  44.304   3.776  -3.474
  217    HE   ARG  29           HE       ARG  29  45.699   5.023  -5.716
  218   HH11  ARG  29          HH21      ARG  29  43.654   2.501  -4.506
  219   HH12  ARG  29          HH22      ARG  29  43.973   1.424  -5.821
  220   HH21  ARG  29          HH11      ARG  29  46.109   3.603  -7.453
  221   HH22  ARG  29          HH12      ARG  29  45.350   2.048  -7.487
  222    H    GLN  30           HN       GLN  30  39.688   4.556  -2.117
  223    HA   GLN  30           HA       GLN  30  39.093   3.063  -4.468
  224    HB2  GLN  30           HB2      GLN  30  37.881   3.034  -1.700
  225    HB3  GLN  30           HB1      GLN  30  37.462   1.885  -2.970
  226    HG2  GLN  30           HG2      GLN  30  39.781   1.124  -3.099
  227    HG3  GLN  30           HG1      GLN  30  40.269   2.330  -1.910
  228   HE21  GLN  30          HE21      GLN  30  40.978   0.027  -0.919
  229   HE22  GLN  30          HE22      GLN  30  39.841  -0.666   0.134
  230    H    ILE  31           HN       ILE  31  37.294   5.397  -2.519
  231    HA   ILE  31           HA       ILE  31  34.838   5.152  -3.847
  232    HB   ILE  31           HB       ILE  31  36.071   7.477  -2.363
  233   HG12  ILE  31          HG12      ILE  31  35.429   5.146  -1.276
  234   HG13  ILE  31          HG11      ILE  31  35.026   6.655  -0.461
  235   HG21  ILE  31          HG21      ILE  31  34.405   8.476  -3.707
  236   HG22  ILE  31          HG22      ILE  31  33.591   8.162  -2.176
  237   HG23  ILE  31          HG23      ILE  31  33.323   7.093  -3.553
  238   HD11  ILE  31          HD11      ILE  31  33.166   4.852  -0.706
  239   HD12  ILE  31          HD12      ILE  31  33.071   5.396  -2.378
  240   HD13  ILE  31          HD13      ILE  31  32.762   6.530  -1.064
  241    H    TYR  32           HN       TYR  32  37.527   7.478  -4.489
  242    HA   TYR  32           HA       TYR  32  36.172   8.877  -6.533
  243    HB2  TYR  32           HB2      TYR  32  38.184   9.784  -5.551
  244    HB3  TYR  32           HB1      TYR  32  39.123   8.391  -6.086
  245    HD1  TYR  32           HD1      TYR  32  36.870  11.052  -7.460
  246    HD2  TYR  32           HD2      TYR  32  40.285   8.529  -8.111
  247    HE1  TYR  32           HE1      TYR  32  37.296  12.187  -9.622
  248    HE2  TYR  32           HE2      TYR  32  40.709   9.663 -10.275
  249    HH   TYR  32           HH       TYR  32  39.781  12.422 -11.113
  250    H    LEU  33           HN       LEU  33  38.460   6.144  -6.718
  251    HA   LEU  33           HA       LEU  33  38.349   5.871  -9.523
  252    HB2  LEU  33           HB2      LEU  33  38.996   3.899  -7.332
  253    HB3  LEU  33           HB1      LEU  33  39.163   3.521  -9.044
  254    HG   LEU  33           HG       LEU  33  40.508   5.878  -7.685
  255   HD11  LEU  33          HD11      LEU  33  42.543   4.566  -7.695
  256   HD12  LEU  33          HD12      LEU  33  41.732   3.236  -8.521
  257   HD13  LEU  33          HD13      LEU  33  41.297   3.637  -6.860
  258   HD21  LEU  33          HD21      LEU  33  40.782   6.507  -9.849
  259   HD22  LEU  33          HD22      LEU  33  40.279   4.935 -10.465
  260   HD23  LEU  33          HD23      LEU  33  41.943   5.184  -9.944
  261    H    SER  34           HN       SER  34  36.450   4.256  -6.946
  262    HA   SER  34           HA       SER  34  34.973   2.539  -8.625
  263    HB2  SER  34           HB2      SER  34  34.065   3.850  -6.051
  264    HB3  SER  34           HB1      SER  34  33.392   2.393  -6.778
  265    HG   SER  34           HG       SER  34  35.338   2.509  -5.073
  266    H    GLY  35           HN       GLY  35  34.582   5.881  -7.682
  267    HA2  GLY  35           HA2      GLY  35  32.005   6.264  -8.856
  268    HA3  GLY  35           HA1      GLY  35  33.122   7.534  -8.357
  269    H    LEU  36           HN       LEU  36  35.337   6.691  -9.878
  270    HA   LEU  36           HA       LEU  36  34.914   8.033 -12.296
  271    HB2  LEU  36           HB2      LEU  36  37.125   7.809 -11.218
  272    HB3  LEU  36           HB1      LEU  36  37.113   6.083 -11.562
  273    HG   LEU  36           HG       LEU  36  37.042   6.549 -13.981
  274   HD11  LEU  36          HD11      LEU  36  35.980   8.563 -14.369
  275   HD12  LEU  36          HD12      LEU  36  37.656   9.102 -14.462
  276   HD13  LEU  36          HD13      LEU  36  36.733   9.349 -12.980
  277   HD21  LEU  36          HD21      LEU  36  39.214   6.694 -12.395
  278   HD22  LEU  36          HD22      LEU  36  39.253   8.324 -13.064
  279   HD23  LEU  36          HD23      LEU  36  39.303   6.929 -14.141
  280    H    HIS  37           HN       HIS  37  34.849   4.610 -11.469
  281    HA   HIS  37           HA       HIS  37  34.565   3.728 -14.201
  282    HB2  HIS  37           HB2      HIS  37  34.162   2.322 -11.548
  283    HB3  HIS  37           HB1      HIS  37  34.025   1.528 -13.117
  284    HD2  HIS  37           HD2      HIS  37  36.496   1.028 -14.416
  285    HE1  HIS  37           HE1      HIS  37  38.955   2.626 -11.377
  286    HE2  HIS  37           HE2      HIS  37  38.945   1.319 -13.554
  287    H    SER  38           HN       SER  38  32.520   4.820 -11.649
  288    HA   SER  38           HA       SER  38  30.063   3.666 -12.536
  289    HB2  SER  38           HB2      SER  38  30.345   6.207 -10.932
  290    HB3  SER  38           HB1      SER  38  28.999   5.074 -10.939
  291    HG   SER  38           HG       SER  38  31.576   4.809  -9.832
  292    H    TRP  39           HN       TRP  39  32.008   5.842 -14.121
  293    HA   TRP  39           HA       TRP  39  29.904   7.624 -15.018
  294    HB2  TRP  39           HB2      TRP  39  32.829   7.388 -15.379
  295    HB3  TRP  39           HB1      TRP  39  31.941   8.053 -16.748
  296    HD1  TRP  39           HD1      TRP  39  32.352   8.649 -12.944
  297    HE1  TRP  39           HE1      TRP  39  31.944  11.158 -12.490
  298    HE3  TRP  39           HE3      TRP  39  31.013  10.181 -17.621
  299    HZ2  TRP  39           HZ2      TRP  39  31.156  13.506 -13.931
  300    HZ3  TRP  39           HZ3      TRP  39  30.442  12.551 -18.058
  301    HH2  TRP  39           HH2      TRP  39  30.511  14.216 -16.221
  302    H    LYS  40           HN       LYS  40  31.107   4.543 -15.851
  303    HA   LYS  40           HA       LYS  40  29.803   4.670 -18.507
  304    HB2  LYS  40           HB2      LYS  40  32.006   2.858 -17.511
  305    HB3  LYS  40           HB1      LYS  40  31.227   2.709 -19.085
  306    HG2  LYS  40           HG2      LYS  40  31.926   5.020 -19.642
  307    HG3  LYS  40           HG1      LYS  40  32.745   5.140 -18.087
  308    HD2  LYS  40           HD2      LYS  40  33.393   2.987 -20.119
  309    HD3  LYS  40           HD1      LYS  40  34.231   4.537 -20.073
  310    HE2  LYS  40           HE2      LYS  40  34.740   4.033 -17.616
  311    HE3  LYS  40           HE1      LYS  40  34.181   2.392 -17.936
  312    HZ1  LYS  40           HZ1      LYS  40  35.893   2.995 -19.994
  313    HZ2  LYS  40           HZ2      LYS  40  36.199   1.964 -18.679
  314    HZ3  LYS  40           HZ3      LYS  40  36.658   3.598 -18.606
  315    H    LYS  41           HN       LYS  41  28.488   2.917 -19.136
  316    HA   LYS  41           HA       LYS  41  27.219   1.545 -16.871
  317    HB2  LYS  41           HB2      LYS  41  26.365   1.981 -19.739
  318    HB3  LYS  41           HB1      LYS  41  25.461   0.988 -18.596
  319    HG2  LYS  41           HG2      LYS  41  25.256   2.927 -17.078
  320    HG3  LYS  41           HG1      LYS  41  26.140   3.922 -18.237
  321    HD2  LYS  41           HD2      LYS  41  24.391   3.495 -19.932
  322    HD3  LYS  41           HD1      LYS  41  23.503   2.522 -18.758
  323    HE2  LYS  41           HE2      LYS  41  23.299   4.474 -17.276
  324    HE3  LYS  41           HE1      LYS  41  24.198   5.453 -18.437
  325    HZ1  LYS  41           HZ1      LYS  41  22.210   5.894 -19.307
  326    HZ2  LYS  41           HZ2      LYS  41  21.452   4.613 -18.486
  327    HZ3  LYS  41           HZ3      LYS  41  22.267   4.326 -19.950
  328    H    LYS  42           HN       LYS  42  27.022  -0.672 -16.742
  329    HA   LYS  42           HA       LYS  42  28.179  -2.319 -18.864
  330    HB2  LYS  42           HB2      LYS  42  30.069  -1.794 -17.352
  331    HB3  LYS  42           HB1      LYS  42  29.160  -2.474 -16.002
  332    HG2  LYS  42           HG2      LYS  42  29.086  -4.655 -17.116
  333    HG3  LYS  42           HG1      LYS  42  29.926  -3.989 -18.517
  334    HD2  LYS  42           HD2      LYS  42  31.876  -3.459 -17.086
  335    HD3  LYS  42           HD1      LYS  42  31.037  -4.154 -15.699
  336    HE2  LYS  42           HE2      LYS  42  30.933  -6.336 -16.851
  337    HE3  LYS  42           HE1      LYS  42  31.773  -5.642 -18.238
  338    HZ1  LYS  42           HZ1      LYS  42  33.458  -6.620 -17.011
  339    HZ2  LYS  42           HZ2      LYS  42  32.801  -6.145 -15.518
  340    HZ3  LYS  42           HZ3      LYS  42  33.544  -4.998 -16.527
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1  52.161   6.165  17.244
    2    H2   MET   1           HT2      MET   1  51.655   4.623  17.748
    3    H3   MET   1           HT3      MET   1  53.071   5.306  18.389
    4    HA   MET   1           HA       MET   1  51.565   5.655  20.083
    5    HB2  MET   1           HB2      MET   1  51.492   8.073  18.252
    6    HB3  MET   1           HB1      MET   1  51.006   8.095  19.948
    7    HG2  MET   1           HG2      MET   1  53.264   7.311  20.596
    8    HG3  MET   1           HG1      MET   1  53.749   7.331  18.902
    9    HE1  MET   1           HE1      MET   1  55.604  10.063  20.802
   10    HE2  MET   1           HE2      MET   1  55.810   9.549  19.128
   11    HE3  MET   1           HE3      MET   1  55.487   8.350  20.377
   12    H    ALA   2           HN       ALA   2  50.229   5.623  16.923
   13    HA   ALA   2           HA       ALA   2  47.546   6.319  17.461
   14    HB1  ALA   2           HB1      ALA   2  48.868   4.627  15.345
   15    HB2  ALA   2           HB2      ALA   2  48.174   6.240  15.184
   16    HB3  ALA   2           HB3      ALA   2  47.118   4.842  15.396
   17    H    GLU   3           HN       GLU   3  49.340   3.311  17.750
   18    HA   GLU   3           HA       GLU   3  48.704   1.190  18.408
   19    HB2  GLU   3           HB2      GLU   3  48.997   2.430  20.533
   20    HB3  GLU   3           HB1      GLU   3  47.279   2.832  20.513
   21    HG2  GLU   3           HG2      GLU   3  46.684   0.464  20.582
   22    HG3  GLU   3           HG1      GLU   3  48.385   0.010  20.483
   23    H    ALA   4           HN       ALA   4  47.408   0.277  16.896
   24    HA   ALA   4           HA       ALA   4  44.563   0.158  17.506
   25    HB1  ALA   4           HB1      ALA   4  44.120   1.797  16.002
   26    HB2  ALA   4           HB2      ALA   4  44.372   0.514  14.818
   27    HB3  ALA   4           HB3      ALA   4  45.684   1.627  15.205
   28    H    HIS   5           HN       HIS   5  43.478  -1.594  16.383
   29    HA   HIS   5           HA       HIS   5  45.374  -3.704  15.566
   30    HB2  HIS   5           HB2      HIS   5  42.510  -3.902  16.536
   31    HB3  HIS   5           HB1      HIS   5  43.510  -5.269  16.049
   32    HD2  HIS   5           HD2      HIS   5  42.960  -3.008  19.143
   33    HE1  HIS   5           HE1      HIS   5  46.265  -5.493  19.993
   34    HE2  HIS   5           HE2      HIS   5  44.615  -3.841  20.987
   35    H    GLN   6           HN       GLN   6  45.391  -4.421  13.525
   36    HA   GLN   6           HA       GLN   6  44.887  -4.622  11.293
   37    HB2  GLN   6           HB2      GLN   6  42.074  -4.559  12.424
   38    HB3  GLN   6           HB1      GLN   6  42.470  -4.985  10.761
   39    HG2  GLN   6           HG2      GLN   6  43.786  -6.879  11.487
   40    HG3  GLN   6           HG1      GLN   6  43.622  -6.402  13.176
   41   HE21  GLN   6          HE21      GLN   6  42.379  -8.560  10.963
   42   HE22  GLN   6          HE22      GLN   6  40.836  -8.784  11.639
   43    H    ALA   7           HN       ALA   7  42.674  -3.489   9.834
   44    HA   ALA   7           HA       ALA   7  42.969  -0.598  10.286
   45    HB1  ALA   7           HB1      ALA   7  44.593  -0.661   8.672
   46    HB2  ALA   7           HB2      ALA   7  43.178  -0.581   7.623
   47    HB3  ALA   7           HB3      ALA   7  43.955  -2.132   7.935
   48    H    VAL   8           HN       VAL   8  41.248   0.637   9.604
   49    HA   VAL   8           HA       VAL   8  39.005  -0.796   8.322
   50    HB   VAL   8           HB       VAL   8  38.903   1.072  10.691
   51   HG11  VAL   8          HG11      VAL   8  36.817   0.255   8.684
   52   HG12  VAL   8          HG12      VAL   8  37.103   1.841   9.401
   53   HG13  VAL   8          HG13      VAL   8  36.351   0.563  10.358
   54   HG21  VAL   8          HG21      VAL   8  39.234  -1.571  10.729
   55   HG22  VAL   8          HG22      VAL   8  37.493  -1.559  10.443
   56   HG23  VAL   8          HG23      VAL   8  38.156  -0.779  11.878
   57    H    ALA   9           HN       ALA   9  38.015   0.230   6.711
   58    HA   ALA   9           HA       ALA   9  39.223   2.545   5.557
   59    HB1  ALA   9           HB1      ALA   9  38.080   1.910   3.722
   60    HB2  ALA   9           HB2      ALA   9  36.546   1.872   4.594
   61    HB3  ALA   9           HB3      ALA   9  37.630   0.482   4.654
   62    H    PHE  10           HN       PHE  10  36.196   1.939   7.331
   63    HA   PHE  10           HA       PHE  10  36.040   4.824   7.806
   64    HB2  PHE  10           HB2      PHE  10  33.428   4.429   7.523
   65    HB3  PHE  10           HB1      PHE  10  34.459   4.919   6.189
   66    HD1  PHE  10           HD1      PHE  10  34.524   1.443   7.567
   67    HD2  PHE  10           HD2      PHE  10  33.041   4.029   4.473
   68    HE1  PHE  10           HE1      PHE  10  33.824  -0.525   6.266
   69    HE2  PHE  10           HE2      PHE  10  32.339   2.044   3.168
   70    HZ   PHE  10           HZ       PHE  10  32.728  -0.232   4.063
   71    H    GLN  11           HN       GLN  11  35.402   5.459   9.769
   72    HA   GLN  11           HA       GLN  11  34.253   3.426  11.594
   73    HB2  GLN  11           HB2      GLN  11  36.676   5.131  11.948
   74    HB3  GLN  11           HB1      GLN  11  35.655   4.864  13.359
   75    HG2  GLN  11           HG2      GLN  11  36.736   2.637  11.608
   76    HG3  GLN  11           HG1      GLN  11  37.506   3.175  13.098
   77   HE21  GLN  11          HE21      GLN  11  35.667   0.708  12.066
   78   HE22  GLN  11          HE22      GLN  11  34.704   0.433  13.436
   79    H    PHE  12           HN       PHE  12  32.455   4.047  12.633
   80    HA   PHE  12           HA       PHE  12  31.852   6.942  12.739
   81    HB2  PHE  12           HB2      PHE  12  30.384   6.121  11.125
   82    HB3  PHE  12           HB1      PHE  12  30.196   4.573  11.929
   83    HD1  PHE  12           HD1      PHE  12  29.932   7.842  13.698
   84    HD2  PHE  12           HD2      PHE  12  27.798   4.559  11.933
   85    HE1  PHE  12           HE1      PHE  12  27.856   8.591  14.809
   86    HE2  PHE  12           HE2      PHE  12  25.714   5.332  13.031
   87    HZ   PHE  12           HZ       PHE  12  25.745   7.349  14.468
   88    H    THR  13           HN       THR  13  31.691   7.634  14.816
   89    HA   THR  13           HA       THR  13  30.739   5.706  16.862
   90    HB   THR  13           HB       THR  13  32.634   7.785  17.739
   91    HG1  THR  13           HG1      THR  13  34.118   5.774  17.008
   92   HG21  THR  13          HG21      THR  13  32.721   4.834  18.297
   93   HG22  THR  13          HG22      THR  13  31.496   5.844  19.062
   94   HG23  THR  13          HG23      THR  13  33.207   6.172  19.337
   95    H    VAL  14           HN       VAL  14  29.236   6.348  18.195
   96    HA   VAL  14           HA       VAL  14  28.267   9.110  18.009
   97    HB   VAL  14           HB       VAL  14  27.051   6.570  19.123
   98   HG11  VAL  14          HG11      VAL  14  26.289   9.434  19.408
   99   HG12  VAL  14          HG12      VAL  14  25.989   8.075  20.492
  100   HG13  VAL  14          HG13      VAL  14  24.987   8.297  19.058
  101   HG21  VAL  14          HG21      VAL  14  25.476   6.833  17.262
  102   HG22  VAL  14          HG22      VAL  14  27.128   6.785  16.647
  103   HG23  VAL  14          HG23      VAL  14  26.277   8.324  16.770
  104    H    THR  15           HN       THR  15  28.738  10.546  19.630
  105    HA   THR  15           HA       THR  15  29.379   9.406  22.281
  106    HB   THR  15           HB       THR  15  31.441  10.270  22.081
  107    HG1  THR  15           HG1      THR  15  29.873  12.608  22.048
  108   HG21  THR  15          HG21      THR  15  32.063  11.693  20.105
  109   HG22  THR  15          HG22      THR  15  30.369  11.660  19.613
  110   HG23  THR  15          HG23      THR  15  31.299  10.163  19.669
  111    HA   PRO  16           HA       PRO  16  26.220  11.919  24.043
  112    HB2  PRO  16           HB2      PRO  16  28.240  13.298  25.736
  113    HB3  PRO  16           HB1      PRO  16  26.774  12.431  26.215
  114    HG2  PRO  16           HG2      PRO  16  29.277  11.439  26.512
  115    HG3  PRO  16           HG1      PRO  16  27.833  10.437  26.325
  116    HD2  PRO  16           HD2      PRO  16  30.037  10.879  24.423
  117    HD3  PRO  16           HD1      PRO  16  28.803   9.602  24.452
  118    H    ASP  17           HN       ASP  17  29.271  13.595  23.170
  119    HA   ASP  17           HA       ASP  17  27.980  16.152  23.006
  120    HB2  ASP  17           HB2      ASP  17  30.691  15.177  22.104
  121    HB3  ASP  17           HB1      ASP  17  30.153  16.851  21.966
  122    H    GLY  18           HN       GLY  18  28.179  13.450  20.780
  123    HA2  GLY  18           HA2      GLY  18  26.475  14.423  18.912
  124    HA3  GLY  18           HA1      GLY  18  28.008  15.130  18.414
  125    H    ILE  19           HN       ILE  19  28.543  13.985  16.605
  126    HA   ILE  19           HA       ILE  19  28.895  11.085  16.906
  127    HB   ILE  19           HB       ILE  19  28.194  10.847  14.542
  128   HG12  ILE  19          HG12      ILE  19  27.182  13.688  14.786
  129   HG13  ILE  19          HG11      ILE  19  28.640  13.242  13.901
  130   HG21  ILE  19          HG21      ILE  19  25.904  10.730  15.002
  131   HG22  ILE  19          HG22      ILE  19  25.933  12.194  15.986
  132   HG23  ILE  19          HG23      ILE  19  26.614  10.694  16.616
  133   HD11  ILE  19          HD11      ILE  19  26.453  11.520  13.125
  134   HD12  ILE  19          HD12      ILE  19  27.431  12.592  12.122
  135   HD13  ILE  19          HD13      ILE  19  25.993  13.212  12.933
  136    H    ASP  20           HN       ASP  20  30.554  10.247  15.662
  137    HA   ASP  20           HA       ASP  20  32.443  12.185  14.469
  138    HB2  ASP  20           HB2      ASP  20  33.182  11.461  16.749
  139    HB3  ASP  20           HB1      ASP  20  33.243   9.806  16.148
  140    H    LEU  21           HN       LEU  21  33.394  11.551  12.573
  141    HA   LEU  21           HA       LEU  21  33.011   8.774  11.717
  142    HB2  LEU  21           HB2      LEU  21  32.359  11.199  10.020
  143    HB3  LEU  21           HB1      LEU  21  32.258   9.512   9.509
  144    HG   LEU  21           HG       LEU  21  30.735   9.390  11.738
  145   HD11  LEU  21          HD11      LEU  21  30.028  12.088  10.585
  146   HD12  LEU  21          HD12      LEU  21  31.111  11.935  11.965
  147   HD13  LEU  21          HD13      LEU  21  29.450  11.352  12.079
  148   HD21  LEU  21          HD21      LEU  21  29.995  10.144   8.907
  149   HD22  LEU  21          HD22      LEU  21  28.765   9.838  10.134
  150   HD23  LEU  21          HD23      LEU  21  29.895   8.562   9.679
  151    H    ARG  22           HN       ARG  22  34.896   7.997  11.149
  152    HA   ARG  22           HA       ARG  22  36.980   9.834  10.100
  153    HB2  ARG  22           HB2      ARG  22  37.504   8.970  12.353
  154    HB3  ARG  22           HB1      ARG  22  37.408   7.325  11.728
  155    HG2  ARG  22           HG2      ARG  22  39.253   7.769  10.179
  156    HG3  ARG  22           HG1      ARG  22  39.320   9.449  10.713
  157    HD2  ARG  22           HD2      ARG  22  39.744   7.061  12.534
  158    HD3  ARG  22           HD1      ARG  22  41.046   7.995  11.805
  159    HE   ARG  22           HE       ARG  22  39.405   9.819  13.133
  160   HH11  ARG  22          HH21      ARG  22  41.375   7.065  13.842
  161   HH12  ARG  22          HH22      ARG  22  41.745   7.571  15.458
  162   HH21  ARG  22          HH11      ARG  22  39.888  10.488  15.255
  163   HH22  ARG  22          HH12      ARG  22  40.909   9.508  16.254
  164    H    LEU  23           HN       LEU  23  38.021   9.351   8.253
  165    HA   LEU  23           HA       LEU  23  37.623   6.670   7.117
  166    HB2  LEU  23           HB2      LEU  23  37.623   8.991   5.243
  167    HB3  LEU  23           HB1      LEU  23  36.870   7.416   5.072
  168    HG   LEU  23           HG       LEU  23  35.158   9.124   5.252
  169   HD11  LEU  23          HD11      LEU  23  33.893   7.694   6.396
  170   HD12  LEU  23          HD12      LEU  23  34.624   8.210   7.910
  171   HD13  LEU  23          HD13      LEU  23  35.347   6.899   6.983
  172   HD21  LEU  23          HD21      LEU  23  36.931  10.402   6.972
  173   HD22  LEU  23          HD22      LEU  23  35.604   9.909   8.024
  174   HD23  LEU  23          HD23      LEU  23  35.284  10.907   6.610
  175    H    SER  24           HN       SER  24  39.452   5.868   6.301
  176    HA   SER  24           HA       SER  24  41.903   7.354   6.557
  177    HB2  SER  24           HB2      SER  24  42.999   5.349   6.151
  178    HB3  SER  24           HB1      SER  24  41.470   4.780   6.813
  179    HG   SER  24           HG       SER  24  41.432   3.701   4.994
  180    H    HIS  25           HN       HIS  25  43.360   7.890   4.907
  181    HA   HIS  25           HA       HIS  25  42.313   9.163   2.645
  182    HB2  HIS  25           HB2      HIS  25  45.096   8.163   3.281
  183    HB3  HIS  25           HB1      HIS  25  44.727   9.094   1.828
  184    HD2  HIS  25           HD2      HIS  25  45.013  11.790   2.275
  185    HE1  HIS  25           HE1      HIS  25  44.326  11.801   6.441
  186    HE2  HIS  25           HE2      HIS  25  44.912  13.249   4.436
  187    H    GLU  26           HN       GLU  26  43.293   5.913   3.216
  188    HA   GLU  26           HA       GLU  26  43.487   5.042   0.506
  189    HB2  GLU  26           HB2      GLU  26  44.449   3.813   2.465
  190    HB3  GLU  26           HB1      GLU  26  42.809   3.388   2.950
  191    HG2  GLU  26           HG2      GLU  26  42.445   2.210   0.849
  192    HG3  GLU  26           HG1      GLU  26  44.026   2.720   0.256
  193    H    ALA  27           HN       ALA  27  40.900   5.209   2.881
  194    HA   ALA  27           HA       ALA  27  38.912   3.784   1.490
  195    HB1  ALA  27           HB1      ALA  27  38.071   6.126   3.102
  196    HB2  ALA  27           HB2      ALA  27  39.049   4.918   3.936
  197    HB3  ALA  27           HB3      ALA  27  37.529   4.449   3.177
  198    H    LEU  28           HN       LEU  28  40.066   7.048   1.293
  199    HA   LEU  28           HA       LEU  28  37.972   8.092  -0.352
  200    HB2  LEU  28           HB2      LEU  28  40.792   9.040   0.166
  201    HB3  LEU  28           HB1      LEU  28  39.657   9.919  -0.852
  202    HG   LEU  28           HG       LEU  28  39.103   9.141   2.028
  203   HD11  LEU  28          HD11      LEU  28  39.318  11.909   1.862
  204   HD12  LEU  28          HD12      LEU  28  40.657  11.325   0.875
  205   HD13  LEU  28          HD13      LEU  28  40.513  10.815   2.558
  206   HD21  LEU  28          HD21      LEU  28  36.986   9.664   1.394
  207   HD22  LEU  28          HD22      LEU  28  37.521  10.362  -0.133
  208   HD23  LEU  28          HD23      LEU  28  37.548  11.333   1.335
  209    H    ARG  29           HN       ARG  29  41.111   6.650  -0.986
  210    HA   ARG  29           HA       ARG  29  41.270   7.149  -3.737
  211    HB2  ARG  29           HB2      ARG  29  43.147   6.319  -2.352
  212    HB3  ARG  29           HB1      ARG  29  42.330   4.767  -2.196
  213    HG2  ARG  29           HG2      ARG  29  42.422   4.473  -4.653
  214    HG3  ARG  29           HG1      ARG  29  43.254   6.025  -4.797
  215    HD2  ARG  29           HD2      ARG  29  45.056   5.156  -3.311
  216    HD3  ARG  29           HD1      ARG  29  44.253   3.594  -3.285
  217    HE   ARG  29           HE       ARG  29  45.676   4.788  -5.561
  218   HH11  ARG  29          HH21      ARG  29  43.750   2.205  -4.245
  219   HH12  ARG  29          HH22      ARG  29  44.202   1.074  -5.473
  220   HH21  ARG  29          HH11      ARG  29  46.252   3.294  -7.162
  221   HH22  ARG  29          HH12      ARG  29  45.613   1.685  -7.116
  222    H    GLN  30           HN       GLN  30  39.755   4.432  -1.997
  223    HA   GLN  30           HA       GLN  30  39.058   3.020  -4.382
  224    HB2  GLN  30           HB2      GLN  30  38.818   2.601  -1.569
  225    HB3  GLN  30           HB1      GLN  30  37.217   2.410  -2.286
  226    HG2  GLN  30           HG2      GLN  30  38.359   0.263  -2.339
  227    HG3  GLN  30           HG1      GLN  30  38.206   0.868  -3.986
  228   HE21  GLN  30          HE21      GLN  30  40.104   0.281  -5.069
  229   HE22  GLN  30          HE22      GLN  30  41.670   0.478  -4.446
  230    H    ILE  31           HN       ILE  31  37.369   5.314  -2.284
  231    HA   ILE  31           HA       ILE  31  34.865   5.140  -3.548
  232    HB   ILE  31           HB       ILE  31  36.137   7.362  -1.956
  233   HG12  ILE  31          HG12      ILE  31  33.899   5.449  -1.239
  234   HG13  ILE  31          HG11      ILE  31  35.592   5.117  -0.878
  235   HG21  ILE  31          HG21      ILE  31  34.515   8.597  -3.025
  236   HG22  ILE  31          HG22      ILE  31  33.511   7.880  -1.768
  237   HG23  ILE  31          HG23      ILE  31  33.528   7.183  -3.388
  238   HD11  ILE  31          HD11      ILE  31  34.649   6.129   1.091
  239   HD12  ILE  31          HD12      ILE  31  33.909   7.419   0.142
  240   HD13  ILE  31          HD13      ILE  31  35.662   7.353   0.326
  241    H    TYR  32           HN       TYR  32  37.559   7.452  -4.201
  242    HA   TYR  32           HA       TYR  32  36.136   8.985  -6.098
  243    HB2  TYR  32           HB2      TYR  32  38.233   9.761  -5.123
  244    HB3  TYR  32           HB1      TYR  32  39.105   8.423  -5.868
  245    HD1  TYR  32           HD1      TYR  32  37.011  11.409  -6.651
  246    HD2  TYR  32           HD2      TYR  32  39.928   8.598  -8.086
  247    HE1  TYR  32           HE1      TYR  32  37.296  12.758  -8.711
  248    HE2  TYR  32           HE2      TYR  32  40.210   9.949 -10.151
  249    HH   TYR  32           HH       TYR  32  39.847  12.446 -10.773
  250    H    LEU  33           HN       LEU  33  38.357   6.244  -6.527
  251    HA   LEU  33           HA       LEU  33  38.138   6.104  -9.334
  252    HB2  LEU  33           HB2      LEU  33  38.939   4.147  -7.196
  253    HB3  LEU  33           HB1      LEU  33  38.880   3.666  -8.889
  254    HG   LEU  33           HG       LEU  33  40.405   6.093  -7.900
  255   HD11  LEU  33          HD11      LEU  33  42.425   4.724  -8.021
  256   HD12  LEU  33          HD12      LEU  33  41.470   3.321  -8.501
  257   HD13  LEU  33          HD13      LEU  33  41.281   4.003  -6.886
  258   HD21  LEU  33          HD21      LEU  33  39.847   4.919 -10.524
  259   HD22  LEU  33          HD22      LEU  33  41.575   5.077 -10.221
  260   HD23  LEU  33          HD23      LEU  33  40.530   6.493 -10.122
  261    H    SER  34           HN       SER  34  36.293   4.446  -6.753
  262    HA   SER  34           HA       SER  34  34.786   2.743  -8.394
  263    HB2  SER  34           HB2      SER  34  34.125   4.045  -5.748
  264    HB3  SER  34           HB1      SER  34  33.087   2.852  -6.521
  265    HG   SER  34           HG       SER  34  34.573   1.908  -5.043
  266    H    GLY  35           HN       GLY  35  34.351   6.116  -7.522
  267    HA2  GLY  35           HA2      GLY  35  31.770   6.425  -8.711
  268    HA3  GLY  35           HA1      GLY  35  32.866   7.725  -8.250
  269    H    LEU  36           HN       LEU  36  35.087   6.887  -9.760
  270    HA   LEU  36           HA       LEU  36  34.627   8.155 -12.212
  271    HB2  LEU  36           HB2      LEU  36  36.842   7.962 -11.059
  272    HB3  LEU  36           HB1      LEU  36  36.880   6.261 -11.509
  273    HG   LEU  36           HG       LEU  36  36.761   6.895 -13.904
  274   HD11  LEU  36          HD11      LEU  36  37.438   9.496 -14.130
  275   HD12  LEU  36          HD12      LEU  36  36.430   9.591 -12.684
  276   HD13  LEU  36          HD13      LEU  36  35.764   8.944 -14.182
  277   HD21  LEU  36          HD21      LEU  36  39.043   7.859 -14.046
  278   HD22  LEU  36          HD22      LEU  36  38.957   6.580 -12.836
  279   HD23  LEU  36          HD23      LEU  36  38.964   8.270 -12.333
  280    H    HIS  37           HN       HIS  37  34.675   4.745 -11.317
  281    HA   HIS  37           HA       HIS  37  34.464   3.780 -14.021
  282    HB2  HIS  37           HB2      HIS  37  34.072   2.437 -11.338
  283    HB3  HIS  37           HB1      HIS  37  33.999   1.593 -12.888
  284    HD2  HIS  37           HD2      HIS  37  36.649   2.461 -10.323
  285    HE1  HIS  37           HE1      HIS  37  38.746   2.046 -13.963
  286    HE2  HIS  37           HE2      HIS  37  38.998   2.259 -11.447
  287    H    SER  38           HN       SER  38  32.265   4.642 -11.453
  288    HA   SER  38           HA       SER  38  29.919   3.399 -12.456
  289    HB2  SER  38           HB2      SER  38  30.117   5.947 -10.836
  290    HB3  SER  38           HB1      SER  38  28.696   4.921 -11.010
  291    HG   SER  38           HG       SER  38  30.761   4.687  -9.320
  292    H    TRP  39           HN       TRP  39  31.320   6.667 -12.993
  293    HA   TRP  39           HA       TRP  39  29.177   7.548 -14.643
  294    HB2  TRP  39           HB2      TRP  39  32.031   8.469 -14.292
  295    HB3  TRP  39           HB1      TRP  39  30.914   9.255 -15.407
  296    HD1  TRP  39           HD1      TRP  39  32.055   9.456 -11.957
  297    HE1  TRP  39           HE1      TRP  39  30.413  10.806 -10.499
  298    HE3  TRP  39           HE3      TRP  39  28.008   9.588 -15.073
  299    HZ2  TRP  39           HZ2      TRP  39  27.738  11.810 -10.635
  300    HZ3  TRP  39           HZ3      TRP  39  25.930  10.747 -14.383
  301    HH2  TRP  39           HH2      TRP  39  25.788  11.854 -12.170
  302    H    LYS  40           HN       LYS  40  32.186   5.821 -15.213
  303    HA   LYS  40           HA       LYS  40  32.292   6.052 -18.028
  304    HB2  LYS  40           HB2      LYS  40  34.126   5.217 -16.499
  305    HB3  LYS  40           HB1      LYS  40  33.245   3.693 -16.397
  306    HG2  LYS  40           HG2      LYS  40  33.383   3.423 -18.835
  307    HG3  LYS  40           HG1      LYS  40  34.214   4.974 -18.967
  308    HD2  LYS  40           HD2      LYS  40  36.050   4.110 -17.555
  309    HD3  LYS  40           HD1      LYS  40  35.226   2.556 -17.447
  310    HE2  LYS  40           HE2      LYS  40  35.386   2.275 -19.881
  311    HE3  LYS  40           HE1      LYS  40  36.165   3.850 -20.024
  312    HZ1  LYS  40           HZ1      LYS  40  38.112   2.998 -19.422
  313    HZ2  LYS  40           HZ2      LYS  40  37.423   1.460 -19.637
  314    HZ3  LYS  40           HZ3      LYS  40  37.447   2.175 -18.095
  315    H    LYS  41           HN       LYS  41  31.352   4.931 -19.660
  316    HA   LYS  41           HA       LYS  41  29.036   3.287 -19.029
  317    HB2  LYS  41           HB2      LYS  41  28.994   5.014 -20.826
  318    HB3  LYS  41           HB1      LYS  41  30.167   4.056 -21.728
  319    HG2  LYS  41           HG2      LYS  41  28.593   2.162 -21.788
  320    HG3  LYS  41           HG1      LYS  41  27.421   3.100 -20.859
  321    HD2  LYS  41           HD2      LYS  41  27.374   4.803 -22.657
  322    HD3  LYS  41           HD1      LYS  41  28.512   3.834 -23.590
  323    HE2  LYS  41           HE2      LYS  41  26.899   1.986 -23.683
  324    HE3  LYS  41           HE1      LYS  41  25.763   2.914 -22.702
  325    HZ1  LYS  41           HZ1      LYS  41  26.798   4.202 -25.100
  326    HZ2  LYS  41           HZ2      LYS  41  25.250   4.279 -24.407
  327    HZ3  LYS  41           HZ3      LYS  41  25.702   2.929 -25.336
  328    H    LYS  42           HN       LYS  42  28.829   1.130 -19.335
  329    HA   LYS  42           HA       LYS  42  31.241  -0.348 -20.203
  330    HB2  LYS  42           HB2      LYS  42  29.014  -1.088 -18.300
  331    HB3  LYS  42           HB1      LYS  42  30.214  -2.241 -18.888
  332    HG2  LYS  42           HG2      LYS  42  32.022  -0.895 -17.958
  333    HG3  LYS  42           HG1      LYS  42  30.875   0.343 -17.447
  334    HD2  LYS  42           HD2      LYS  42  29.765  -1.303 -15.976
  335    HD3  LYS  42           HD1      LYS  42  30.943  -2.526 -16.467
  336    HE2  LYS  42           HE2      LYS  42  32.770  -1.125 -15.585
  337    HE3  LYS  42           HE1      LYS  42  31.599   0.100 -15.100
  338    HZ1  LYS  42           HZ1      LYS  42  30.913  -1.112 -13.358
  339    HZ2  LYS  42           HZ2      LYS  42  32.436  -1.852 -13.503
  340    HZ3  LYS  42           HZ3      LYS  42  31.063  -2.592 -14.171
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1  45.325  -1.479   0.403
    2    H2   MET   1           HT2      MET   1  44.252  -0.638   1.411
    3    H3   MET   1           HT3      MET   1  43.850  -0.916  -0.215
    4    HA   MET   1           HA       MET   1  42.612  -2.522   0.860
    5    HB2  MET   1           HB2      MET   1  45.327  -3.729   0.228
    6    HB3  MET   1           HB1      MET   1  43.862  -4.672   0.512
    7    HG2  MET   1           HG2      MET   1  42.755  -3.509  -1.377
    8    HG3  MET   1           HG1      MET   1  44.243  -2.614  -1.686
    9    HE1  MET   1           HE1      MET   1  43.408  -3.389  -3.806
   10    HE2  MET   1           HE2      MET   1  43.540  -4.998  -4.511
   11    HE3  MET   1           HE3      MET   1  44.958  -3.960  -4.433
   12    H    ALA   2           HN       ALA   2  45.784  -2.004   2.296
   13    HA   ALA   2           HA       ALA   2  46.617  -2.380   4.402
   14    HB1  ALA   2           HB1      ALA   2  44.603  -2.316   6.172
   15    HB2  ALA   2           HB2      ALA   2  43.769  -1.629   4.779
   16    HB3  ALA   2           HB3      ALA   2  45.232  -0.862   5.399
   17    H    GLU   3           HN       GLU   3  47.421  -4.374   4.565
   18    HA   GLU   3           HA       GLU   3  45.877  -6.756   4.406
   19    HB2  GLU   3           HB2      GLU   3  48.690  -6.266   5.414
   20    HB3  GLU   3           HB1      GLU   3  47.985  -7.865   5.190
   21    HG2  GLU   3           HG2      GLU   3  47.616  -7.389   2.809
   22    HG3  GLU   3           HG1      GLU   3  48.266  -5.766   3.024
   23    H    ALA   4           HN       ALA   4  47.178  -4.893   7.133
   24    HA   ALA   4           HA       ALA   4  46.489  -6.767   9.144
   25    HB1  ALA   4           HB1      ALA   4  47.715  -4.219   9.043
   26    HB2  ALA   4           HB2      ALA   4  47.584  -5.294  10.434
   27    HB3  ALA   4           HB3      ALA   4  46.346  -4.071  10.145
   28    H    HIS   5           HN       HIS   5  44.684  -6.916  10.494
   29    HA   HIS   5           HA       HIS   5  42.222  -5.904   9.308
   30    HB2  HIS   5           HB2      HIS   5  42.760  -7.796  11.597
   31    HB3  HIS   5           HB1      HIS   5  41.142  -7.263  11.131
   32    HD2  HIS   5           HD2      HIS   5  40.129  -8.429   8.786
   33    HE1  HIS   5           HE1      HIS   5  43.505 -10.821   7.937
   34    HE2  HIS   5           HE2      HIS   5  41.089 -10.350   7.298
   35    H    GLN   6           HN       GLN   6  44.408  -5.031  11.745
   36    HA   GLN   6           HA       GLN   6  42.736  -3.798  13.645
   37    HB2  GLN   6           HB2      GLN   6  45.139  -4.203  14.039
   38    HB3  GLN   6           HB1      GLN   6  45.540  -3.031  12.779
   39    HG2  GLN   6           HG2      GLN   6  44.566  -1.233  14.023
   40    HG3  GLN   6           HG1      GLN   6  43.861  -2.347  15.195
   41   HE21  GLN   6          HE21      GLN   6  45.615  -0.250  16.010
   42   HE22  GLN   6          HE22      GLN   6  47.035  -0.955  16.605
   43    H    ALA   7           HN       ALA   7  44.071  -2.639  10.568
   44    HA   ALA   7           HA       ALA   7  43.246   0.076  10.906
   45    HB1  ALA   7           HB1      ALA   7  44.721  -1.435   8.981
   46    HB2  ALA   7           HB2      ALA   7  44.616   0.317   9.160
   47    HB3  ALA   7           HB3      ALA   7  43.457  -0.534   8.142
   48    H    VAL   8           HN       VAL   8  41.503   1.164  10.095
   49    HA   VAL   8           HA       VAL   8  39.343  -0.475   8.925
   50    HB   VAL   8           HB       VAL   8  39.146   1.671  11.053
   51   HG11  VAL   8          HG11      VAL   8  36.649   1.217  10.803
   52   HG12  VAL   8          HG12      VAL   8  37.035   0.465   9.255
   53   HG13  VAL   8          HG13      VAL   8  37.386   2.175   9.521
   54   HG21  VAL   8          HG21      VAL   8  38.573  -0.022  12.478
   55   HG22  VAL   8          HG22      VAL   8  39.429  -1.038  11.319
   56   HG23  VAL   8          HG23      VAL   8  37.673  -0.891  11.237
   57    H    ALA   9           HN       ALA   9  38.450   0.321   7.126
   58    HA   ALA   9           HA       ALA   9  39.635   2.561   5.818
   59    HB1  ALA   9           HB1      ALA   9  37.140   1.828   4.606
   60    HB2  ALA   9           HB2      ALA   9  37.951   0.355   5.140
   61    HB3  ALA   9           HB3      ALA   9  38.772   1.467   4.044
   62    H    PHE  10           HN       PHE  10  36.579   1.973   7.495
   63    HA   PHE  10           HA       PHE  10  36.269   4.856   7.793
   64    HB2  PHE  10           HB2      PHE  10  34.090   5.015   6.938
   65    HB3  PHE  10           HB1      PHE  10  34.995   4.107   5.737
   66    HD1  PHE  10           HD1      PHE  10  34.946   1.395   7.371
   67    HD2  PHE  10           HD2      PHE  10  31.924   4.244   6.275
   68    HE1  PHE  10           HE1      PHE  10  33.228  -0.376   7.512
   69    HE2  PHE  10           HE2      PHE  10  30.209   2.465   6.413
   70    HZ   PHE  10           HZ       PHE  10  30.855   0.156   7.030
   71    H    GLN  11           HN       GLN  11  35.569   5.462   9.759
   72    HA   GLN  11           HA       GLN  11  34.308   3.394  11.468
   73    HB2  GLN  11           HB2      GLN  11  36.699   3.643  12.039
   74    HB3  GLN  11           HB1      GLN  11  36.425   5.358  12.352
   75    HG2  GLN  11           HG2      GLN  11  34.830   4.819  14.111
   76    HG3  GLN  11           HG1      GLN  11  34.981   3.101  13.755
   77   HE21  GLN  11          HE21      GLN  11  35.547   4.041  16.332
   78   HE22  GLN  11          HE22      GLN  11  37.211   3.916  16.629
   79    H    PHE  12           HN       PHE  12  32.560   3.986  12.559
   80    HA   PHE  12           HA       PHE  12  31.907   6.868  12.675
   81    HB2  PHE  12           HB2      PHE  12  30.386   5.996  11.118
   82    HB3  PHE  12           HB1      PHE  12  30.259   4.459  11.954
   83    HD1  PHE  12           HD1      PHE  12  30.000   7.767  13.685
   84    HD2  PHE  12           HD2      PHE  12  27.897   4.385  12.068
   85    HE1  PHE  12           HE1      PHE  12  27.944   8.470  14.879
   86    HE2  PHE  12           HE2      PHE  12  25.839   5.099  13.240
   87    HZ   PHE  12           HZ       PHE  12  25.860   7.137  14.651
   88    H    THR  13           HN       THR  13  31.771   7.572  14.731
   89    HA   THR  13           HA       THR  13  30.878   5.672  16.836
   90    HB   THR  13           HB       THR  13  32.718   7.844  17.620
   91    HG1  THR  13           HG1      THR  13  34.479   6.365  16.998
   92   HG21  THR  13          HG21      THR  13  31.810   6.208  19.240
   93   HG22  THR  13          HG22      THR  13  33.563   6.070  19.118
   94   HG23  THR  13          HG23      THR  13  32.526   4.893  18.308
   95    H    VAL  14           HN       VAL  14  29.297   6.322  18.074
   96    HA   VAL  14           HA       VAL  14  28.255   9.035  17.729
   97    HB   VAL  14           HB       VAL  14  26.693   7.167  17.387
   98   HG11  VAL  14          HG11      VAL  14  26.710   6.475  20.282
   99   HG12  VAL  14          HG12      VAL  14  28.051   5.859  19.315
  100   HG13  VAL  14          HG13      VAL  14  26.392   5.451  18.882
  101   HG21  VAL  14          HG21      VAL  14  25.652   8.166  19.948
  102   HG22  VAL  14          HG22      VAL  14  25.023   8.396  18.314
  103   HG23  VAL  14          HG23      VAL  14  26.306   9.440  18.922
  104    H    THR  15           HN       THR  15  28.587  10.566  19.292
  105    HA   THR  15           HA       THR  15  29.219   9.582  22.004
  106    HB   THR  15           HB       THR  15  30.465  11.918  22.046
  107    HG1  THR  15           HG1      THR  15  31.447  12.133  19.917
  108   HG21  THR  15          HG21      THR  15  32.535  10.714  21.423
  109   HG22  THR  15          HG22      THR  15  31.563   9.416  20.727
  110   HG23  THR  15          HG23      THR  15  31.508   9.729  22.461
  111    HA   PRO  16           HA       PRO  16  25.816  11.935  23.556
  112    HB2  PRO  16           HB2      PRO  16  27.741  13.341  25.343
  113    HB3  PRO  16           HB1      PRO  16  26.243  12.497  25.759
  114    HG2  PRO  16           HG2      PRO  16  28.691  11.474  26.220
  115    HG3  PRO  16           HG1      PRO  16  27.273  10.469  25.887
  116    HD2  PRO  16           HD2      PRO  16  29.623  10.996  24.187
  117    HD3  PRO  16           HD1      PRO  16  28.433   9.677  24.107
  118    H    ASP  17           HN       ASP  17  28.877  13.645  22.922
  119    HA   ASP  17           HA       ASP  17  27.712  16.234  22.611
  120    HB2  ASP  17           HB2      ASP  17  29.920  16.811  21.633
  121    HB3  ASP  17           HB1      ASP  17  30.051  16.017  23.197
  122    H    GLY  18           HN       GLY  18  28.021  13.459  20.481
  123    HA2  GLY  18           HA2      GLY  18  26.341  14.336  18.549
  124    HA3  GLY  18           HA1      GLY  18  27.868  15.066  18.072
  125    H    ILE  19           HN       ILE  19  28.433  13.898  16.313
  126    HA   ILE  19           HA       ILE  19  28.859  11.023  16.696
  127    HB   ILE  19           HB       ILE  19  28.172  10.738  14.315
  128   HG12  ILE  19          HG12      ILE  19  27.109  13.555  14.652
  129   HG13  ILE  19          HG11      ILE  19  28.510  13.125  13.674
  130   HG21  ILE  19          HG21      ILE  19  25.974  11.960  16.000
  131   HG22  ILE  19          HG22      ILE  19  26.637  10.356  16.310
  132   HG23  ILE  19          HG23      ILE  19  25.807  10.692  14.790
  133   HD11  ILE  19          HD11      ILE  19  25.699  12.948  12.997
  134   HD12  ILE  19          HD12      ILE  19  26.469  11.367  12.859
  135   HD13  ILE  19          HD13      ILE  19  27.111  12.739  11.958
  136    H    ASP  20           HN       ASP  20  30.566  10.194  15.507
  137    HA   ASP  20           HA       ASP  20  32.424  12.177  14.324
  138    HB2  ASP  20           HB2      ASP  20  33.076  11.393  16.635
  139    HB3  ASP  20           HB1      ASP  20  33.259   9.780  15.952
  140    H    LEU  21           HN       LEU  21  33.382  11.586  12.405
  141    HA   LEU  21           HA       LEU  21  33.039   8.802  11.506
  142    HB2  LEU  21           HB2      LEU  21  32.489  11.336   9.925
  143    HB3  LEU  21           HB1      LEU  21  32.520   9.720   9.229
  144    HG   LEU  21           HG       LEU  21  30.713  10.436  11.543
  145   HD11  LEU  21          HD11      LEU  21  30.372  10.879   8.590
  146   HD12  LEU  21          HD12      LEU  21  29.896  11.921   9.932
  147   HD13  LEU  21          HD13      LEU  21  28.972  10.465   9.575
  148   HD21  LEU  21          HD21      LEU  21  31.330   8.019  10.187
  149   HD22  LEU  21          HD22      LEU  21  29.727   8.503   9.638
  150   HD23  LEU  21          HD23      LEU  21  30.042   8.290  11.360
  151    H    ARG  22           HN       ARG  22  34.957   8.026  11.019
  152    HA   ARG  22           HA       ARG  22  37.076   9.861  10.031
  153    HB2  ARG  22           HB2      ARG  22  37.321   7.468  11.860
  154    HB3  ARG  22           HB1      ARG  22  38.698   8.303  11.142
  155    HG2  ARG  22           HG2      ARG  22  38.078  10.377  12.252
  156    HG3  ARG  22           HG1      ARG  22  36.599   9.641  12.872
  157    HD2  ARG  22           HD2      ARG  22  38.231   9.609  14.656
  158    HD3  ARG  22           HD1      ARG  22  38.019   7.958  14.082
  159    HE   ARG  22           HE       ARG  22  40.182   9.160  12.696
  160   HH11  ARG  22          HH21      ARG  22  39.230   7.985  15.810
  161   HH12  ARG  22          HH22      ARG  22  40.833   7.533  16.286
  162   HH21  ARG  22          HH11      ARG  22  42.298   8.541  13.321
  163   HH22  ARG  22          HH12      ARG  22  42.557   7.823  14.874
  164    H    LEU  23           HN       LEU  23  38.214   9.296   8.241
  165    HA   LEU  23           HA       LEU  23  37.895   6.561   7.234
  166    HB2  LEU  23           HB2      LEU  23  37.358   9.057   5.607
  167    HB3  LEU  23           HB1      LEU  23  37.437   7.419   4.964
  168    HG   LEU  23           HG       LEU  23  35.645   7.040   6.955
  169   HD11  LEU  23          HD11      LEU  23  34.901   9.761   5.900
  170   HD12  LEU  23          HD12      LEU  23  35.883   9.604   7.355
  171   HD13  LEU  23          HD13      LEU  23  34.261   8.915   7.307
  172   HD21  LEU  23          HD21      LEU  23  35.292   6.421   4.619
  173   HD22  LEU  23          HD22      LEU  23  35.061   8.116   4.185
  174   HD23  LEU  23          HD23      LEU  23  33.888   7.305   5.221
  175    H    SER  24           HN       SER  24  39.689   5.766   6.385
  176    HA   SER  24           HA       SER  24  42.154   7.217   6.569
  177    HB2  SER  24           HB2      SER  24  41.710   4.586   5.156
  178    HB3  SER  24           HB1      SER  24  43.201   5.179   5.881
  179    HG   SER  24           HG       SER  24  41.845   5.224   7.892
  180    H    HIS  25           HN       HIS  25  43.551   7.830   4.897
  181    HA   HIS  25           HA       HIS  25  42.433   9.070   2.656
  182    HB2  HIS  25           HB2      HIS  25  45.262   8.138   3.188
  183    HB3  HIS  25           HB1      HIS  25  44.810   9.111   1.786
  184    HD2  HIS  25           HD2      HIS  25  45.956   9.740   5.333
  185    HE1  HIS  25           HE1      HIS  25  43.756  13.172   4.252
  186    HE2  HIS  25           HE2      HIS  25  45.395  12.217   5.936
  187    H    GLU  26           HN       GLU  26  43.512   5.819   3.159
  188    HA   GLU  26           HA       GLU  26  43.644   4.992   0.439
  189    HB2  GLU  26           HB2      GLU  26  43.171   3.429   2.989
  190    HB3  GLU  26           HB1      GLU  26  43.379   2.681   1.403
  191    HG2  GLU  26           HG2      GLU  26  45.588   3.769   1.178
  192    HG3  GLU  26           HG1      GLU  26  45.385   4.505   2.767
  193    H    ALA  27           HN       ALA  27  41.083   5.179   2.830
  194    HA   ALA  27           HA       ALA  27  39.093   3.730   1.478
  195    HB1  ALA  27           HB1      ALA  27  37.545   4.767   2.982
  196    HB2  ALA  27           HB2      ALA  27  38.615   6.146   3.235
  197    HB3  ALA  27           HB3      ALA  27  39.045   4.561   3.888
  198    H    LEU  28           HN       LEU  28  40.199   7.016   1.289
  199    HA   LEU  28           HA       LEU  28  38.127   8.042  -0.374
  200    HB2  LEU  28           HB2      LEU  28  40.863   8.984   0.394
  201    HB3  LEU  28           HB1      LEU  28  40.006   9.791  -0.919
  202    HG   LEU  28           HG       LEU  28  38.062  10.147   0.597
  203   HD11  LEU  28          HD11      LEU  28  38.619   9.814   3.085
  204   HD12  LEU  28          HD12      LEU  28  39.900   8.743   2.527
  205   HD13  LEU  28          HD13      LEU  28  38.218   8.369   2.156
  206   HD21  LEU  28          HD21      LEU  28  39.426  11.643   2.271
  207   HD22  LEU  28          HD22      LEU  28  39.436  12.022   0.548
  208   HD23  LEU  28          HD23      LEU  28  40.799  11.168   1.274
  209    H    ARG  29           HN       ARG  29  41.251   6.573  -1.049
  210    HA   ARG  29           HA       ARG  29  41.351   7.090  -3.818
  211    HB2  ARG  29           HB2      ARG  29  43.280   6.257  -2.480
  212    HB3  ARG  29           HB1      ARG  29  42.489   4.687  -2.368
  213    HG2  ARG  29           HG2      ARG  29  42.574   4.401  -4.769
  214    HG3  ARG  29           HG1      ARG  29  43.158   6.052  -4.983
  215    HD2  ARG  29           HD2      ARG  29  45.186   5.502  -3.708
  216    HD3  ARG  29           HD1      ARG  29  44.606   3.852  -3.499
  217    HE   ARG  29           HE       ARG  29  45.137   3.418  -5.722
  218   HH11  ARG  29          HH21      ARG  29  45.285   6.812  -5.027
  219   HH12  ARG  29          HH22      ARG  29  46.128   7.208  -6.486
  220   HH21  ARG  29          HH11      ARG  29  46.231   3.927  -7.629
  221   HH22  ARG  29          HH12      ARG  29  46.650   5.569  -7.973
  222    H    GLN  30           HN       GLN  30  39.940   4.328  -2.056
  223    HA   GLN  30           HA       GLN  30  39.194   2.901  -4.421
  224    HB2  GLN  30           HB2      GLN  30  38.103   2.753  -1.598
  225    HB3  GLN  30           HB1      GLN  30  37.776   1.582  -2.876
  226    HG2  GLN  30           HG2      GLN  30  40.544   2.289  -1.864
  227    HG3  GLN  30           HG1      GLN  30  39.636   0.865  -1.364
  228   HE21  GLN  30          HE21      GLN  30  41.990   1.846  -3.521
  229   HE22  GLN  30          HE22      GLN  30  41.780   0.650  -4.710
  230    H    ILE  31           HN       ILE  31  37.542   5.144  -2.258
  231    HA   ILE  31           HA       ILE  31  34.999   4.949  -3.441
  232    HB   ILE  31           HB       ILE  31  36.316   7.133  -1.832
  233   HG12  ILE  31          HG12      ILE  31  34.081   5.230  -1.087
  234   HG13  ILE  31          HG11      ILE  31  35.782   4.830  -0.850
  235   HG21  ILE  31          HG21      ILE  31  34.678   8.355  -2.967
  236   HG22  ILE  31          HG22      ILE  31  33.814   7.827  -1.520
  237   HG23  ILE  31          HG23      ILE  31  33.566   6.988  -3.055
  238   HD11  ILE  31          HD11      ILE  31  35.904   6.116   1.002
  239   HD12  ILE  31          HD12      ILE  31  34.147   6.262   0.914
  240   HD13  ILE  31          HD13      ILE  31  35.170   7.489   0.169
  241    H    TYR  32           HN       TYR  32  37.666   7.265  -4.142
  242    HA   TYR  32           HA       TYR  32  36.171   8.790  -5.985
  243    HB2  TYR  32           HB2      TYR  32  38.229   9.635  -5.077
  244    HB3  TYR  32           HB1      TYR  32  39.144   8.307  -5.789
  245    HD1  TYR  32           HD1      TYR  32  36.879  11.149  -6.677
  246    HD2  TYR  32           HD2      TYR  32  40.004   8.491  -7.959
  247    HE1  TYR  32           HE1      TYR  32  37.137  12.458  -8.775
  248    HE2  TYR  32           HE2      TYR  32  40.266   9.794 -10.047
  249    HH   TYR  32           HH       TYR  32  39.186  12.803 -10.477
  250    H    LEU  33           HN       LEU  33  38.418   6.086  -6.511
  251    HA   LEU  33           HA       LEU  33  38.128   5.975  -9.315
  252    HB2  LEU  33           HB2      LEU  33  38.881   3.882  -7.272
  253    HB3  LEU  33           HB1      LEU  33  38.988   3.616  -9.012
  254    HG   LEU  33           HG       LEU  33  40.368   5.869  -7.522
  255   HD11  LEU  33          HD11      LEU  33  41.444   3.889  -6.803
  256   HD12  LEU  33          HD12      LEU  33  42.431   4.451  -8.153
  257   HD13  LEU  33          HD13      LEU  33  41.286   3.129  -8.386
  258   HD21  LEU  33          HD21      LEU  33  41.731   5.563  -9.840
  259   HD22  LEU  33          HD22      LEU  33  40.370   6.672  -9.674
  260   HD23  LEU  33          HD23      LEU  33  40.124   5.079 -10.386
  261    H    SER  34           HN       SER  34  36.361   4.267  -6.703
  262    HA   SER  34           HA       SER  34  34.764   2.638  -8.367
  263    HB2  SER  34           HB2      SER  34  34.263   3.802  -5.621
  264    HB3  SER  34           HB1      SER  34  33.152   2.688  -6.406
  265    HG   SER  34           HG       SER  34  34.430   1.291  -5.450
  266    H    GLY  35           HN       GLY  35  34.468   5.967  -7.306
  267    HA2  GLY  35           HA2      GLY  35  31.832   6.444  -8.311
  268    HA3  GLY  35           HA1      GLY  35  33.017   7.674  -7.865
  269    H    LEU  36           HN       LEU  36  35.098   6.868  -9.578
  270    HA   LEU  36           HA       LEU  36  34.477   8.281 -11.910
  271    HB2  LEU  36           HB2      LEU  36  36.755   8.023 -10.976
  272    HB3  LEU  36           HB1      LEU  36  36.746   6.332 -11.466
  273    HG   LEU  36           HG       LEU  36  36.441   7.035 -13.831
  274   HD11  LEU  36          HD11      LEU  36  36.288   9.718 -12.524
  275   HD12  LEU  36          HD12      LEU  36  35.403   9.088 -13.915
  276   HD13  LEU  36          HD13      LEU  36  37.074   9.618 -14.098
  277   HD21  LEU  36          HD21      LEU  36  38.765   8.589 -13.560
  278   HD22  LEU  36          HD22      LEU  36  38.683   6.838 -13.780
  279   HD23  LEU  36          HD23      LEU  36  38.764   7.519 -12.155
  280    H    HIS  37           HN       HIS  37  34.471   4.846 -11.224
  281    HA   HIS  37           HA       HIS  37  34.016   4.047 -13.959
  282    HB2  HIS  37           HB2      HIS  37  33.897   2.595 -11.315
  283    HB3  HIS  37           HB1      HIS  37  33.524   1.822 -12.856
  284    HD2  HIS  37           HD2      HIS  37  35.748   1.046 -14.326
  285    HE1  HIS  37           HE1      HIS  37  38.692   2.929 -11.957
  286    HE2  HIS  37           HE2      HIS  37  38.306   1.330 -13.894
  287    H    SER  38           HN       SER  38  32.112   4.760 -11.114
  288    HA   SER  38           HA       SER  38  29.641   3.678 -11.985
  289    HB2  SER  38           HB2      SER  38  30.163   6.003 -10.129
  290    HB3  SER  38           HB1      SER  38  28.633   5.156 -10.304
  291    HG   SER  38           HG       SER  38  31.108   4.167  -9.349
  292    H    TRP  39           HN       TRP  39  31.128   6.915 -12.394
  293    HA   TRP  39           HA       TRP  39  28.842   8.058 -13.630
  294    HB2  TRP  39           HB2      TRP  39  30.564   9.500 -12.723
  295    HB3  TRP  39           HB1      TRP  39  31.782   8.773 -13.777
  296    HD1  TRP  39           HD1      TRP  39  32.246  10.051 -15.886
  297    HE1  TRP  39           HE1      TRP  39  30.969  11.724 -17.376
  298    HE3  TRP  39           HE3      TRP  39  27.750  10.165 -13.456
  299    HZ2  TRP  39           HZ2      TRP  39  28.379  12.946 -17.525
  300    HZ3  TRP  39           HZ3      TRP  39  25.894  11.581 -14.295
  301    HH2  TRP  39           HH2      TRP  39  26.199  12.976 -16.326
  302    H    LYS  40           HN       LYS  40  31.642   6.262 -14.779
  303    HA   LYS  40           HA       LYS  40  30.947   6.605 -17.574
  304    HB2  LYS  40           HB2      LYS  40  33.052   4.909 -16.201
  305    HB3  LYS  40           HB1      LYS  40  32.871   5.070 -17.949
  306    HG2  LYS  40           HG2      LYS  40  33.193   7.507 -17.762
  307    HG3  LYS  40           HG1      LYS  40  33.374   7.350 -16.018
  308    HD2  LYS  40           HD2      LYS  40  35.346   5.900 -16.349
  309    HD3  LYS  40           HD1      LYS  40  35.172   6.062 -18.095
  310    HE2  LYS  40           HE2      LYS  40  35.634   8.356 -16.167
  311    HE3  LYS  40           HE1      LYS  40  36.863   7.635 -17.202
  312    HZ1  LYS  40           HZ1      LYS  40  35.044   9.638 -17.849
  313    HZ2  LYS  40           HZ2      LYS  40  34.610   8.268 -18.751
  314    HZ3  LYS  40           HZ3      LYS  40  36.183   8.902 -18.862
  315    H    LYS  41           HN       LYS  41  30.012   5.089 -18.904
  316    HA   LYS  41           HA       LYS  41  28.569   2.908 -17.573
  317    HB2  LYS  41           HB2      LYS  41  28.396   4.076 -20.352
  318    HB3  LYS  41           HB1      LYS  41  27.459   2.687 -19.812
  319    HG2  LYS  41           HG2      LYS  41  26.454   4.026 -18.025
  320    HG3  LYS  41           HG1      LYS  41  27.412   5.425 -18.508
  321    HD2  LYS  41           HD2      LYS  41  26.330   5.434 -20.706
  322    HD3  LYS  41           HD1      LYS  41  25.416   3.983 -20.280
  323    HE2  LYS  41           HE2      LYS  41  23.975   5.891 -19.929
  324    HE3  LYS  41           HE1      LYS  41  24.434   5.255 -18.353
  325    HZ1  LYS  41           HZ1      LYS  41  25.750   7.538 -19.724
  326    HZ2  LYS  41           HZ2      LYS  41  26.136   6.935 -18.181
  327    HZ3  LYS  41           HZ3      LYS  41  24.631   7.668 -18.454
  328    H    LYS  42           HN       LYS  42  28.792   0.752 -18.083
  329    HA   LYS  42           HA       LYS  42  31.279   0.068 -19.487
  330    HB2  LYS  42           HB2      LYS  42  29.498  -1.509 -17.618
  331    HB3  LYS  42           HB1      LYS  42  30.885  -2.201 -18.457
  332    HG2  LYS  42           HG2      LYS  42  32.340  -0.481 -17.438
  333    HG3  LYS  42           HG1      LYS  42  30.951   0.159 -16.563
  334    HD2  LYS  42           HD2      LYS  42  30.675  -1.967 -15.379
  335    HD3  LYS  42           HD1      LYS  42  31.993  -2.680 -16.310
  336    HE2  LYS  42           HE2      LYS  42  32.822  -1.958 -14.124
  337    HE3  LYS  42           HE1      LYS  42  33.536  -0.963 -15.396
  338    HZ1  LYS  42           HZ1      LYS  42  32.711   0.806 -14.388
  339    HZ2  LYS  42           HZ2      LYS  42  31.943  -0.161 -13.220
  340    HZ3  LYS  42           HZ3      LYS  42  31.141   0.230 -14.666
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1  34.706  -6.871  15.177
    2    H2   MET   1           HT2      MET   1  35.050  -6.907  16.842
    3    H3   MET   1           HT3      MET   1  34.061  -8.103  16.146
    4    HA   MET   1           HA       MET   1  36.191  -9.067  16.509
    5    HB2  MET   1           HB2      MET   1  35.739  -8.304  13.612
    6    HB3  MET   1           HB1      MET   1  36.833  -9.574  14.151
    7    HG2  MET   1           HG2      MET   1  34.888 -10.671  15.298
    8    HG3  MET   1           HG1      MET   1  33.838  -9.461  14.561
    9    HE1  MET   1           HE1      MET   1  33.175 -12.525  13.954
   10    HE2  MET   1           HE2      MET   1  32.721 -12.173  12.288
   11    HE3  MET   1           HE3      MET   1  32.389 -10.993  13.553
   12    H    ALA   2           HN       ALA   2  38.482  -9.080  15.856
   13    HA   ALA   2           HA       ALA   2  39.784  -6.655  16.505
   14    HB1  ALA   2           HB1      ALA   2  41.348  -8.652  15.012
   15    HB2  ALA   2           HB2      ALA   2  40.496  -9.290  16.419
   16    HB3  ALA   2           HB3      ALA   2  41.634  -7.959  16.609
   17    H    GLU   3           HN       GLU   3  40.754  -5.117  15.254
   18    HA   GLU   3           HA       GLU   3  39.818  -4.693  12.617
   19    HB2  GLU   3           HB2      GLU   3  42.025  -3.392  14.208
   20    HB3  GLU   3           HB1      GLU   3  41.558  -2.860  12.590
   21    HG2  GLU   3           HG2      GLU   3  39.273  -2.456  13.344
   22    HG3  GLU   3           HG1      GLU   3  39.665  -3.074  14.947
   23    H    ALA   4           HN       ALA   4  42.685  -6.268  13.858
   24    HA   ALA   4           HA       ALA   4  44.263  -6.149  11.517
   25    HB1  ALA   4           HB1      ALA   4  44.251  -8.444  13.483
   26    HB2  ALA   4           HB2      ALA   4  44.985  -6.885  13.856
   27    HB3  ALA   4           HB3      ALA   4  45.599  -7.852  12.514
   28    H    HIS   5           HN       HIS   5  41.701  -8.333  12.571
   29    HA   HIS   5           HA       HIS   5  42.061 -10.270  10.522
   30    HB2  HIS   5           HB2      HIS   5  39.744  -9.574  12.317
   31    HB3  HIS   5           HB1      HIS   5  39.650 -10.863  11.114
   32    HD2  HIS   5           HD2      HIS   5  40.290 -10.880  14.703
   33    HE1  HIS   5           HE1      HIS   5  43.190 -13.581  13.250
   34    HE2  HIS   5           HE2      HIS   5  41.997 -12.753  15.331
   35    H    GLN   6           HN       GLN   6  39.912  -7.459  10.808
   36    HA   GLN   6           HA       GLN   6  39.372  -7.659   7.900
   37    HB2  GLN   6           HB2      GLN   6  37.379  -8.185   9.273
   38    HB3  GLN   6           HB1      GLN   6  37.541  -6.627  10.078
   39    HG2  GLN   6           HG2      GLN   6  35.871  -6.458   8.307
   40    HG3  GLN   6           HG1      GLN   6  37.271  -5.486   7.881
   41   HE21  GLN   6          HE21      GLN   6  37.430  -5.669   5.633
   42   HE22  GLN   6          HE22      GLN   6  37.412  -7.135   4.785
   43    H    ALA   7           HN       ALA   7  39.998  -5.934   6.747
   44    HA   ALA   7           HA       ALA   7  41.235  -3.682   7.997
   45    HB1  ALA   7           HB1      ALA   7  40.328  -3.743   5.129
   46    HB2  ALA   7           HB2      ALA   7  41.707  -4.701   5.667
   47    HB3  ALA   7           HB3      ALA   7  41.740  -2.945   5.827
   48    H    VAL   8           HN       VAL   8  40.536  -1.527   8.052
   49    HA   VAL   8           HA       VAL   8  37.636  -1.101   7.618
   50    HB   VAL   8           HB       VAL   8  37.958  -1.326   9.987
   51   HG11  VAL   8          HG11      VAL   8  39.648  -0.056  11.207
   52   HG12  VAL   8          HG12      VAL   8  40.160   0.743   9.727
   53   HG13  VAL   8          HG13      VAL   8  40.437  -0.983   9.935
   54   HG21  VAL   8          HG21      VAL   8  38.054   1.657   9.590
   55   HG22  VAL   8          HG22      VAL   8  37.060   0.720  10.704
   56   HG23  VAL   8          HG23      VAL   8  36.687   0.726   8.982
   57    H    ALA   9           HN       ALA   9  37.103   0.711   6.520
   58    HA   ALA   9           HA       ALA   9  39.248   2.677   5.970
   59    HB1  ALA   9           HB1      ALA   9  37.980   1.118   4.133
   60    HB2  ALA   9           HB2      ALA   9  38.670   2.702   3.777
   61    HB3  ALA   9           HB3      ALA   9  36.948   2.547   4.126
   62    H    PHE  10           HN       PHE  10  36.147   2.149   7.306
   63    HA   PHE  10           HA       PHE  10  35.883   5.023   7.748
   64    HB2  PHE  10           HB2      PHE  10  33.658   5.207   7.004
   65    HB3  PHE  10           HB1      PHE  10  34.506   4.348   5.728
   66    HD1  PHE  10           HD1      PHE  10  34.541   1.581   7.276
   67    HD2  PHE  10           HD2      PHE  10  31.463   4.451   6.408
   68    HE1  PHE  10           HE1      PHE  10  32.848  -0.197   7.433
   69    HE2  PHE  10           HE2      PHE  10  29.763   2.652   6.561
   70    HZ   PHE  10           HZ       PHE  10  30.457   0.330   7.076
   71    H    GLN  11           HN       GLN  11  35.312   5.561   9.767
   72    HA   GLN  11           HA       GLN  11  34.091   3.465  11.477
   73    HB2  GLN  11           HB2      GLN  11  36.318   5.376  12.229
   74    HB3  GLN  11           HB1      GLN  11  35.445   4.361  13.375
   75    HG2  GLN  11           HG2      GLN  11  36.159   2.346  12.134
   76    HG3  GLN  11           HG1      GLN  11  37.049   3.364  11.003
   77   HE21  GLN  11          HE21      GLN  11  38.225   1.304  12.778
   78   HE22  GLN  11          HE22      GLN  11  39.316   2.119  13.792
   79    H    PHE  12           HN       PHE  12  32.378   4.082  12.670
   80    HA   PHE  12           HA       PHE  12  31.780   6.973  12.787
   81    HB2  PHE  12           HB2      PHE  12  30.300   6.160  11.175
   82    HB3  PHE  12           HB1      PHE  12  30.090   4.622  11.997
   83    HD1  PHE  12           HD1      PHE  12  29.894   7.897  13.766
   84    HD2  PHE  12           HD2      PHE  12  27.712   4.662  11.976
   85    HE1  PHE  12           HE1      PHE  12  27.819   8.698  14.832
   86    HE2  PHE  12           HE2      PHE  12  25.629   5.481  13.032
   87    HZ   PHE  12           HZ       PHE  12  25.680   7.503  14.462
   88    H    THR  13           HN       THR  13  31.650   7.636  14.853
   89    HA   THR  13           HA       THR  13  30.701   5.702  16.878
   90    HB   THR  13           HB       THR  13  32.333   7.033  18.408
   91    HG1  THR  13           HG1      THR  13  33.462   7.402  15.840
   92   HG21  THR  13          HG21      THR  13  34.240   5.494  17.305
   93   HG22  THR  13          HG22      THR  13  32.831   4.816  16.490
   94   HG23  THR  13          HG23      THR  13  32.917   4.821  18.254
   95    H    VAL  14           HN       VAL  14  29.165   6.341  18.182
   96    HA   VAL  14           HA       VAL  14  28.272   9.130  18.006
   97    HB   VAL  14           HB       VAL  14  26.596   7.363  17.581
   98   HG11  VAL  14          HG11      VAL  14  26.037   5.726  19.179
   99   HG12  VAL  14          HG12      VAL  14  26.843   6.596  20.484
  100   HG13  VAL  14          HG13      VAL  14  27.800   5.778  19.247
  101   HG21  VAL  14          HG21      VAL  14  25.121   8.821  18.457
  102   HG22  VAL  14          HG22      VAL  14  26.395   9.513  19.459
  103   HG23  VAL  14          HG23      VAL  14  25.429   8.167  20.067
  104    H    THR  15           HN       THR  15  28.707  10.537  19.648
  105    HA   THR  15           HA       THR  15  29.397   9.350  22.267
  106    HB   THR  15           HB       THR  15  31.344  10.455  22.317
  107    HG1  THR  15           HG1      THR  15  30.289  12.768  21.137
  108   HG21  THR  15          HG21      THR  15  30.720  11.415  19.517
  109   HG22  THR  15          HG22      THR  15  31.236   9.767  19.881
  110   HG23  THR  15          HG23      THR  15  32.308  11.122  20.223
  111    HA   PRO  16           HA       PRO  16  26.306  11.823  24.196
  112    HB2  PRO  16           HB2      PRO  16  28.418  13.155  25.830
  113    HB3  PRO  16           HB1      PRO  16  26.949  12.320  26.361
  114    HG2  PRO  16           HG2      PRO  16  29.389  11.236  26.596
  115    HG3  PRO  16           HG1      PRO  16  27.935  10.267  26.312
  116    HD2  PRO  16           HD2      PRO  16  30.155  10.900  24.448
  117    HD3  PRO  16           HD1      PRO  16  29.018   9.532  24.448
  118    H    ASP  17           HN       ASP  17  29.352  13.518  23.369
  119    HA   ASP  17           HA       ASP  17  28.076  16.069  23.185
  120    HB2  ASP  17           HB2      ASP  17  30.790  15.051  22.356
  121    HB3  ASP  17           HB1      ASP  17  30.277  16.722  22.120
  122    H    GLY  18           HN       GLY  18  28.273  13.385  20.927
  123    HA2  GLY  18           HA2      GLY  18  26.579  14.394  19.070
  124    HA3  GLY  18           HA1      GLY  18  28.113  15.106  18.587
  125    H    ILE  19           HN       ILE  19  28.573  13.990  16.729
  126    HA   ILE  19           HA       ILE  19  28.961  11.093  16.991
  127    HB   ILE  19           HB       ILE  19  28.213  10.975  14.572
  128   HG12  ILE  19          HG12      ILE  19  26.912  13.621  15.228
  129   HG13  ILE  19          HG11      ILE  19  28.401  13.498  14.287
  130   HG21  ILE  19          HG21      ILE  19  25.750  11.156  15.222
  131   HG22  ILE  19          HG22      ILE  19  26.308  11.744  16.790
  132   HG23  ILE  19          HG23      ILE  19  26.729  10.122  16.260
  133   HD11  ILE  19          HD11      ILE  19  26.193  13.590  12.966
  134   HD12  ILE  19          HD12      ILE  19  25.924  11.944  13.537
  135   HD13  ILE  19          HD13      ILE  19  27.327  12.310  12.537
  136    H    ASP  20           HN       ASP  20  30.622  10.289  15.768
  137    HA   ASP  20           HA       ASP  20  32.416  12.266  14.492
  138    HB2  ASP  20           HB2      ASP  20  33.251  11.627  16.742
  139    HB3  ASP  20           HB1      ASP  20  33.302   9.949  16.212
  140    H    LEU  21           HN       LEU  21  33.364  11.649  12.598
  141    HA   LEU  21           HA       LEU  21  32.996   8.875  11.736
  142    HB2  LEU  21           HB2      LEU  21  32.498   9.884   9.436
  143    HB3  LEU  21           HB1      LEU  21  31.213   9.955  10.637
  144    HG   LEU  21           HG       LEU  21  33.033  12.271  10.710
  145   HD11  LEU  21          HD11      LEU  21  32.136  13.312   8.687
  146   HD12  LEU  21          HD12      LEU  21  31.180  11.870   8.343
  147   HD13  LEU  21          HD13      LEU  21  32.940  11.807   8.254
  148   HD21  LEU  21          HD21      LEU  21  30.019  12.014  10.454
  149   HD22  LEU  21          HD22      LEU  21  30.909  13.450  10.959
  150   HD23  LEU  21          HD23      LEU  21  30.895  12.020  11.988
  151    H    ARG  22           HN       ARG  22  34.888   8.090  11.224
  152    HA   ARG  22           HA       ARG  22  36.999   9.917  10.207
  153    HB2  ARG  22           HB2      ARG  22  37.240   7.499  11.994
  154    HB3  ARG  22           HB1      ARG  22  38.616   8.329  11.269
  155    HG2  ARG  22           HG2      ARG  22  37.932  10.430  12.367
  156    HG3  ARG  22           HG1      ARG  22  36.550   9.604  13.091
  157    HD2  ARG  22           HD2      ARG  22  38.119   8.034  14.213
  158    HD3  ARG  22           HD1      ARG  22  39.469   8.945  13.548
  159    HE   ARG  22           HE       ARG  22  37.679  10.621  15.044
  160   HH11  ARG  22          HH21      ARG  22  40.192   8.275  15.196
  161   HH12  ARG  22          HH22      ARG  22  40.835   8.831  16.704
  162   HH21  ARG  22          HH11      ARG  22  38.507  11.386  17.044
  163   HH22  ARG  22          HH12      ARG  22  39.890  10.611  17.744
  164    H    LEU  23           HN       LEU  23  38.117   9.377   8.387
  165    HA   LEU  23           HA       LEU  23  37.736   6.681   7.331
  166    HB2  LEU  23           HB2      LEU  23  37.314   7.726   5.068
  167    HB3  LEU  23           HB1      LEU  23  35.998   7.860   6.233
  168    HG   LEU  23           HG       LEU  23  37.909  10.086   6.387
  169   HD11  LEU  23          HD11      LEU  23  38.024   9.727   3.962
  170   HD12  LEU  23          HD12      LEU  23  37.090  11.178   4.310
  171   HD13  LEU  23          HD13      LEU  23  36.263   9.684   3.866
  172   HD21  LEU  23          HD21      LEU  23  35.725  10.051   7.537
  173   HD22  LEU  23          HD22      LEU  23  34.902   9.911   5.983
  174   HD23  LEU  23          HD23      LEU  23  35.796  11.380   6.378
  175    H    SER  24           HN       SER  24  39.470   5.896   6.312
  176    HA   SER  24           HA       SER  24  41.944   7.347   6.492
  177    HB2  SER  24           HB2      SER  24  41.199   4.613   5.496
  178    HB3  SER  24           HB1      SER  24  42.820   5.260   5.252
  179    HG   SER  24           HG       SER  24  42.908   5.605   7.524
  180    H    HIS  25           HN       HIS  25  43.306   7.978   4.856
  181    HA   HIS  25           HA       HIS  25  42.184   9.228   2.624
  182    HB2  HIS  25           HB2      HIS  25  45.036   8.318   3.122
  183    HB3  HIS  25           HB1      HIS  25  44.550   9.306   1.743
  184    HD2  HIS  25           HD2      HIS  25  45.993  10.023   5.092
  185    HE1  HIS  25           HE1      HIS  25  43.321  13.233   4.473
  186    HE2  HIS  25           HE2      HIS  25  45.245  12.391   5.899
  187    H    GLU  26           HN       GLU  26  43.209   5.984   3.195
  188    HA   GLU  26           HA       GLU  26  43.376   5.088   0.494
  189    HB2  GLU  26           HB2      GLU  26  42.802   3.555   3.049
  190    HB3  GLU  26           HB1      GLU  26  43.097   2.805   1.479
  191    HG2  GLU  26           HG2      GLU  26  45.039   4.690   2.840
  192    HG3  GLU  26           HG1      GLU  26  45.143   2.930   2.927
  193    H    ALA  27           HN       ALA  27  40.744   5.316   2.845
  194    HA   ALA  27           HA       ALA  27  38.770   3.896   1.427
  195    HB1  ALA  27           HB1      ALA  27  38.848   5.153   3.847
  196    HB2  ALA  27           HB2      ALA  27  37.370   4.584   3.075
  197    HB3  ALA  27           HB3      ALA  27  37.853   6.271   2.917
  198    H    LEU  28           HN       LEU  28  39.922   7.178   1.233
  199    HA   LEU  28           HA       LEU  28  37.900   8.249  -0.473
  200    HB2  LEU  28           HB2      LEU  28  40.755   9.110   0.030
  201    HB3  LEU  28           HB1      LEU  28  39.621  10.031  -0.947
  202    HG   LEU  28           HG       LEU  28  39.129   9.247   1.942
  203   HD11  LEU  28          HD11      LEU  28  40.832  11.285   0.856
  204   HD12  LEU  28          HD12      LEU  28  40.448  10.962   2.549
  205   HD13  LEU  28          HD13      LEU  28  39.440  12.060   1.612
  206   HD21  LEU  28          HD21      LEU  28  37.572  10.680  -0.154
  207   HD22  LEU  28          HD22      LEU  28  37.558  11.403   1.453
  208   HD23  LEU  28          HD23      LEU  28  37.006   9.748   1.232
  209    H    ARG  29           HN       ARG  29  41.044   6.767  -1.061
  210    HA   ARG  29           HA       ARG  29  41.177   7.282  -3.823
  211    HB2  ARG  29           HB2      ARG  29  43.116   6.576  -2.449
  212    HB3  ARG  29           HB1      ARG  29  42.406   4.970  -2.301
  213    HG2  ARG  29           HG2      ARG  29  42.486   4.698  -4.749
  214    HG3  ARG  29           HG1      ARG  29  43.180   6.314  -4.910
  215    HD2  ARG  29           HD2      ARG  29  45.068   5.552  -3.414
  216    HD3  ARG  29           HD1      ARG  29  44.411   3.921  -3.526
  217    HE   ARG  29           HE       ARG  29  45.782   5.394  -5.643
  218   HH11  ARG  29          HH21      ARG  29  43.822   2.698  -4.703
  219   HH12  ARG  29          HH22      ARG  29  44.266   1.730  -6.070
  220   HH21  ARG  29          HH11      ARG  29  46.352   4.125  -7.442
  221   HH22  ARG  29          HH12      ARG  29  45.674   2.539  -7.624
  222    H    GLN  30           HN       GLN  30  39.780   4.544  -2.037
  223    HA   GLN  30           HA       GLN  30  39.192   3.031  -4.389
  224    HB2  GLN  30           HB2      GLN  30  38.046   2.930  -1.592
  225    HB3  GLN  30           HB1      GLN  30  37.667   1.763  -2.862
  226    HG2  GLN  30           HG2      GLN  30  40.049   1.180  -3.056
  227    HG3  GLN  30           HG1      GLN  30  40.446   2.361  -1.809
  228   HE21  GLN  30          HE21      GLN  30  40.984   1.125   0.012
  229   HE22  GLN  30          HE22      GLN  30  40.029  -0.131   0.632
  230    H    ILE  31           HN       ILE  31  37.381   5.284  -2.361
  231    HA   ILE  31           HA       ILE  31  34.904   4.991  -3.644
  232    HB   ILE  31           HB       ILE  31  36.099   7.288  -2.102
  233   HG12  ILE  31          HG12      ILE  31  33.861   5.400  -1.347
  234   HG13  ILE  31          HG11      ILE  31  35.548   5.041  -0.990
  235   HG21  ILE  31          HG21      ILE  31  34.475   8.385  -3.378
  236   HG22  ILE  31          HG22      ILE  31  33.561   7.899  -1.950
  237   HG23  ILE  31          HG23      ILE  31  33.427   6.967  -3.442
  238   HD11  ILE  31          HD11      ILE  31  34.083   7.549  -0.119
  239   HD12  ILE  31          HD12      ILE  31  35.748   7.127   0.285
  240   HD13  ILE  31          HD13      ILE  31  34.414   6.163   0.918
  241    H    TYR  32           HN       TYR  32  37.519   7.398  -4.330
  242    HA   TYR  32           HA       TYR  32  36.074   8.784  -6.321
  243    HB2  TYR  32           HB2      TYR  32  38.119   9.723  -5.414
  244    HB3  TYR  32           HB1      TYR  32  39.059   8.367  -6.032
  245    HD1  TYR  32           HD1      TYR  32  37.095  11.363  -6.974
  246    HD2  TYR  32           HD2      TYR  32  39.663   8.215  -8.375
  247    HE1  TYR  32           HE1      TYR  32  37.362  12.541  -9.138
  248    HE2  TYR  32           HE2      TYR  32  39.926   9.395 -10.539
  249    HH   TYR  32           HH       TYR  32  39.752  11.819 -11.340
  250    H    LEU  33           HN       LEU  33  38.377   6.086  -6.603
  251    HA   LEU  33           HA       LEU  33  38.232   5.822  -9.404
  252    HB2  LEU  33           HB2      LEU  33  38.919   3.870  -7.212
  253    HB3  LEU  33           HB1      LEU  33  39.041   3.458  -8.920
  254    HG   LEU  33           HG       LEU  33  40.407   5.850  -7.652
  255   HD11  LEU  33          HD11      LEU  33  42.481   4.399  -7.956
  256   HD12  LEU  33          HD12      LEU  33  41.383   3.041  -8.186
  257   HD13  LEU  33          HD13      LEU  33  41.389   3.919  -6.657
  258   HD21  LEU  33          HD21      LEU  33  40.545   6.392  -9.870
  259   HD22  LEU  33          HD22      LEU  33  40.198   4.752 -10.403
  260   HD23  LEU  33          HD23      LEU  33  41.826   5.185  -9.893
  261    H    SER  34           HN       SER  34  36.352   4.203  -6.828
  262    HA   SER  34           HA       SER  34  34.895   2.485  -8.528
  263    HB2  SER  34           HB2      SER  34  33.308   2.342  -6.656
  264    HB3  SER  34           HB1      SER  34  34.970   2.248  -6.076
  265    HG   SER  34           HG       SER  34  33.920   3.733  -4.813
  266    H    GLY  35           HN       GLY  35  34.479   5.827  -7.559
  267    HA2  GLY  35           HA2      GLY  35  31.880   6.186  -8.714
  268    HA3  GLY  35           HA1      GLY  35  32.979   7.467  -8.205
  269    H    LEU  36           HN       LEU  36  35.199   6.681  -9.716
  270    HA   LEU  36           HA       LEU  36  34.781   8.044 -12.111
  271    HB2  LEU  36           HB2      LEU  36  36.988   7.808 -11.051
  272    HB3  LEU  36           HB1      LEU  36  36.968   6.081 -11.389
  273    HG   LEU  36           HG       LEU  36  36.878   6.552 -13.816
  274   HD11  LEU  36          HD11      LEU  36  37.533   9.087 -14.294
  275   HD12  LEU  36          HD12      LEU  36  36.652   9.354 -12.789
  276   HD13  LEU  36          HD13      LEU  36  35.843   8.595 -14.159
  277   HD21  LEU  36          HD21      LEU  36  39.058   6.530 -12.333
  278   HD22  LEU  36          HD22      LEU  36  39.124   8.238 -12.758
  279   HD23  LEU  36          HD23      LEU  36  39.149   7.010 -14.026
  280    H    HIS  37           HN       HIS  37  34.794   4.582 -11.377
  281    HA   HIS  37           HA       HIS  37  34.492   3.780 -14.120
  282    HB2  HIS  37           HB2      HIS  37  34.113   2.271 -11.523
  283    HB3  HIS  37           HB1      HIS  37  33.998   1.537 -13.124
  284    HD2  HIS  37           HD2      HIS  37  36.686   1.999 -10.557
  285    HE1  HIS  37           HE1      HIS  37  38.743   2.101 -14.241
  286    HE2  HIS  37           HE2      HIS  37  39.018   1.893 -11.726
  287    H    SER  38           HN       SER  38  32.374   4.602 -11.487
  288    HA   SER  38           HA       SER  38  29.967   3.473 -12.500
  289    HB2  SER  38           HB2      SER  38  30.414   5.825 -10.654
  290    HB3  SER  38           HB1      SER  38  28.844   5.091 -10.973
  291    HG   SER  38           HG       SER  38  30.948   3.410 -10.252
  292    H    TRP  39           HN       TRP  39  31.460   6.722 -12.893
  293    HA   TRP  39           HA       TRP  39  29.299   7.765 -14.422
  294    HB2  TRP  39           HB2      TRP  39  30.793   9.327 -13.391
  295    HB3  TRP  39           HB1      TRP  39  32.198   8.581 -14.149
  296    HD1  TRP  39           HD1      TRP  39  32.949   9.597 -16.361
  297    HE1  TRP  39           HE1      TRP  39  31.901  11.183 -18.104
  298    HE3  TRP  39           HE3      TRP  39  28.245  10.029 -14.434
  299    HZ2  TRP  39           HZ2      TRP  39  29.396  12.464 -18.610
  300    HZ3  TRP  39           HZ3      TRP  39  26.549  11.437 -15.559
  301    HH2  TRP  39           HH2      TRP  39  27.116  12.653 -17.644
  302    H    LYS  40           HN       LYS  40  32.253   5.999 -15.182
  303    HA   LYS  40           HA       LYS  40  31.994   6.341 -18.022
  304    HB2  LYS  40           HB2      LYS  40  33.637   4.420 -16.358
  305    HB3  LYS  40           HB1      LYS  40  33.701   4.491 -18.121
  306    HG2  LYS  40           HG2      LYS  40  34.333   6.875 -18.005
  307    HG3  LYS  40           HG1      LYS  40  34.287   6.801 -16.244
  308    HD2  LYS  40           HD2      LYS  40  36.060   5.070 -16.280
  309    HD3  LYS  40           HD1      LYS  40  36.117   5.181 -18.040
  310    HE2  LYS  40           HE2      LYS  40  36.726   7.569 -17.868
  311    HE3  LYS  40           HE1      LYS  40  36.683   7.449 -16.109
  312    HZ1  LYS  40           HZ1      LYS  40  38.926   7.199 -17.211
  313    HZ2  LYS  40           HZ2      LYS  40  38.381   5.685 -17.765
  314    HZ3  LYS  40           HZ3      LYS  40  38.493   5.993 -16.098
  315    H    LYS  41           HN       LYS  41  31.239   4.903 -19.539
  316    HA   LYS  41           HA       LYS  41  29.289   2.941 -18.541
  317    HB2  LYS  41           HB2      LYS  41  29.693   4.242 -21.247
  318    HB3  LYS  41           HB1      LYS  41  28.517   2.961 -20.950
  319    HG2  LYS  41           HG2      LYS  41  27.400   4.335 -19.262
  320    HG3  LYS  41           HG1      LYS  41  28.600   5.610 -19.472
  321    HD2  LYS  41           HD2      LYS  41  27.911   5.867 -21.830
  322    HD3  LYS  41           HD1      LYS  41  26.709   4.592 -21.619
  323    HE2  LYS  41           HE2      LYS  41  25.608   5.951 -19.856
  324    HE3  LYS  41           HE1      LYS  41  26.787   7.232 -20.129
  325    HZ1  LYS  41           HZ1      LYS  41  24.480   7.200 -21.359
  326    HZ2  LYS  41           HZ2      LYS  41  25.328   6.206 -22.445
  327    HZ3  LYS  41           HZ3      LYS  41  25.882   7.781 -22.120
  328    H    LYS  42           HN       LYS  42  29.337   0.777 -19.168
  329    HA   LYS  42           HA       LYS  42  31.931  -0.124 -20.224
  330    HB2  LYS  42           HB2      LYS  42  29.754  -1.587 -18.722
  331    HB3  LYS  42           HB1      LYS  42  31.148  -2.392 -19.437
  332    HG2  LYS  42           HG2      LYS  42  32.657  -0.949 -18.109
  333    HG3  LYS  42           HG1      LYS  42  31.256  -0.174 -17.371
  334    HD2  LYS  42           HD2      LYS  42  30.532  -2.372 -16.476
  335    HD3  LYS  42           HD1      LYS  42  31.970  -3.116 -17.179
  336    HE2  LYS  42           HE2      LYS  42  33.401  -1.626 -15.819
  337    HE3  LYS  42           HE1      LYS  42  31.960  -0.908 -15.100
  338    HZ1  LYS  42           HZ1      LYS  42  32.854  -2.613 -13.667
  339    HZ2  LYS  42           HZ2      LYS  42  32.771  -3.760 -14.917
  340    HZ3  LYS  42           HZ3      LYS  42  31.344  -3.105 -14.267
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1  42.017  -8.858  13.518
    2    H2   MET   1           HT2      MET   1  43.466  -9.602  13.032
    3    H3   MET   1           HT3      MET   1  43.460  -8.520  14.342
    4    HA   MET   1           HA       MET   1  43.369 -11.175  14.601
    5    HB2  MET   1           HB2      MET   1  42.166  -9.020  16.362
    6    HB3  MET   1           HB1      MET   1  42.460 -10.675  16.898
    7    HG2  MET   1           HG2      MET   1  44.858 -10.423  16.370
    8    HG3  MET   1           HG1      MET   1  44.566  -8.767  15.838
    9    HE1  MET   1           HE1      MET   1  46.587  -8.485  19.069
   10    HE2  MET   1           HE2      MET   1  46.112  -7.344  17.813
   11    HE3  MET   1           HE3      MET   1  46.639  -8.965  17.366
   12    H    ALA   2           HN       ALA   2  40.573 -10.017  16.189
   13    HA   ALA   2           HA       ALA   2  38.932 -12.114  15.241
   14    HB1  ALA   2           HB1      ALA   2  37.202 -11.149  16.547
   15    HB2  ALA   2           HB2      ALA   2  37.915  -9.540  16.444
   16    HB3  ALA   2           HB3      ALA   2  38.694 -10.790  17.414
   17    H    GLU   3           HN       GLU   3  39.239  -8.716  14.317
   18    HA   GLU   3           HA       GLU   3  37.029  -8.727  12.500
   19    HB2  GLU   3           HB2      GLU   3  39.406  -6.880  12.796
   20    HB3  GLU   3           HB1      GLU   3  38.078  -6.599  11.668
   21    HG2  GLU   3           HG2      GLU   3  36.475  -6.563  13.514
   22    HG3  GLU   3           HG1      GLU   3  37.758  -6.939  14.664
   23    H    ALA   4           HN       ALA   4  37.037  -8.889  10.254
   24    HA   ALA   4           HA       ALA   4  38.844 -10.738   9.115
   25    HB1  ALA   4           HB1      ALA   4  37.435  -8.941   7.246
   26    HB2  ALA   4           HB2      ALA   4  36.398  -9.768   8.408
   27    HB3  ALA   4           HB3      ALA   4  37.437 -10.702   7.335
   28    H    HIS   5           HN       HIS   5  38.645  -7.210   8.983
   29    HA   HIS   5           HA       HIS   5  41.299  -7.165   7.670
   30    HB2  HIS   5           HB2      HIS   5  39.009  -5.200   7.447
   31    HB3  HIS   5           HB1      HIS   5  40.624  -4.925   6.794
   32    HD2  HIS   5           HD2      HIS   5  41.294  -6.554   4.538
   33    HE1  HIS   5           HE1      HIS   5  37.427  -8.174   4.045
   34    HE2  HIS   5           HE2      HIS   5  39.723  -7.948   2.986
   35    H    GLN   6           HN       GLN   6  42.902  -6.190   8.752
   36    HA   GLN   6           HA       GLN   6  42.549  -5.319  11.424
   37    HB2  GLN   6           HB2      GLN   6  44.908  -4.669  11.319
   38    HB3  GLN   6           HB1      GLN   6  44.671  -6.254  10.582
   39    HG2  GLN   6           HG2      GLN   6  44.564  -5.138   8.342
   40    HG3  GLN   6           HG1      GLN   6  44.956  -3.609   9.129
   41   HE21  GLN   6          HE21      GLN   6  47.053  -3.382   8.131
   42   HE22  GLN   6          HE22      GLN   6  48.341  -4.427   8.493
   43    H    ALA   7           HN       ALA   7  42.832  -3.599   8.352
   44    HA   ALA   7           HA       ALA   7  42.580  -1.020   9.734
   45    HB1  ALA   7           HB1      ALA   7  42.636  -0.692   6.913
   46    HB2  ALA   7           HB2      ALA   7  43.853  -1.899   7.327
   47    HB3  ALA   7           HB3      ALA   7  43.903  -0.304   8.077
   48    H    VAL   8           HN       VAL   8  40.927   0.463   9.222
   49    HA   VAL   8           HA       VAL   8  38.534  -0.728   7.945
   50    HB   VAL   8           HB       VAL   8  38.724   1.038  10.391
   51   HG11  VAL   8          HG11      VAL   8  36.891   1.924   9.143
   52   HG12  VAL   8          HG12      VAL   8  36.171   0.817  10.311
   53   HG13  VAL   8          HG13      VAL   8  36.372   0.318   8.631
   54   HG21  VAL   8          HG21      VAL   8  38.777  -1.699  10.153
   55   HG22  VAL   8          HG22      VAL   8  37.051  -1.391  10.352
   56   HG23  VAL   8          HG23      VAL   8  38.193  -0.832  11.574
   57    H    ALA   9           HN       ALA   9  37.579   0.446   6.393
   58    HA   ALA   9           HA       ALA   9  38.895   2.766   5.356
   59    HB1  ALA   9           HB1      ALA   9  36.877   0.923   4.487
   60    HB2  ALA   9           HB2      ALA   9  37.819   2.061   3.525
   61    HB3  ALA   9           HB3      ALA   9  36.295   2.572   4.250
   62    H    PHE  10           HN       PHE  10  35.910   2.210   7.193
   63    HA   PHE  10           HA       PHE  10  35.923   5.060   7.858
   64    HB2  PHE  10           HB2      PHE  10  33.271   4.792   7.610
   65    HB3  PHE  10           HB1      PHE  10  34.307   5.391   6.325
   66    HD1  PHE  10           HD1      PHE  10  34.235   1.788   7.355
   67    HD2  PHE  10           HD2      PHE  10  32.893   4.727   4.521
   68    HE1  PHE  10           HE1      PHE  10  33.506  -0.012   5.836
   69    HE2  PHE  10           HE2      PHE  10  32.149   2.915   3.007
   70    HZ   PHE  10           HZ       PHE  10  32.456   0.545   3.663
   71    H    GLN  11           HN       GLN  11  35.312   5.601   9.864
   72    HA   GLN  11           HA       GLN  11  34.129   3.488  11.574
   73    HB2  GLN  11           HB2      GLN  11  36.409   5.355  12.247
   74    HB3  GLN  11           HB1      GLN  11  35.536   4.405  13.447
   75    HG2  GLN  11           HG2      GLN  11  36.162   2.334  12.293
   76    HG3  GLN  11           HG1      GLN  11  36.986   3.265  11.045
   77   HE21  GLN  11          HE21      GLN  11  37.549   1.578  13.894
   78   HE22  GLN  11          HE22      GLN  11  39.009   2.317  14.348
   79    H    PHE  12           HN       PHE  12  32.387   4.094  12.732
   80    HA   PHE  12           HA       PHE  12  31.838   6.986  12.948
   81    HB2  PHE  12           HB2      PHE  12  30.319   6.213  11.337
   82    HB3  PHE  12           HB1      PHE  12  30.102   4.671  12.144
   83    HD1  PHE  12           HD1      PHE  12  29.989   7.929  13.961
   84    HD2  PHE  12           HD2      PHE  12  27.714   4.744  12.190
   85    HE1  PHE  12           HE1      PHE  12  27.959   8.734  15.114
   86    HE2  PHE  12           HE2      PHE  12  25.678   5.569  13.332
   87    HZ   PHE  12           HZ       PHE  12  25.800   7.564  14.796
   88    H    THR  13           HN       THR  13  31.726   7.628  15.017
   89    HA   THR  13           HA       THR  13  30.765   5.676  17.043
   90    HB   THR  13           HB       THR  13  32.725   7.722  17.889
   91    HG1  THR  13           HG1      THR  13  33.619   5.307  16.762
   92   HG21  THR  13          HG21      THR  13  32.404   4.778  18.511
   93   HG22  THR  13          HG22      THR  13  31.635   6.080  19.420
   94   HG23  THR  13          HG23      THR  13  33.393   5.939  19.398
   95    H    VAL  14           HN       VAL  14  29.249   6.328  18.373
   96    HA   VAL  14           HA       VAL  14  28.351   9.118  18.210
   97    HB   VAL  14           HB       VAL  14  27.030   6.614  19.275
   98   HG11  VAL  14          HG11      VAL  14  25.019   8.325  19.286
   99   HG12  VAL  14          HG12      VAL  14  26.305   9.519  19.468
  100   HG13  VAL  14          HG13      VAL  14  26.113   8.240  20.667
  101   HG21  VAL  14          HG21      VAL  14  27.089   6.768  16.834
  102   HG22  VAL  14          HG22      VAL  14  26.473   8.419  16.901
  103   HG23  VAL  14          HG23      VAL  14  25.448   7.075  17.402
  104    H    THR  15           HN       THR  15  28.785  10.527  19.844
  105    HA   THR  15           HA       THR  15  29.445   9.365  22.481
  106    HB   THR  15           HB       THR  15  31.294  10.685  22.690
  107    HG1  THR  15           HG1      THR  15  31.295  12.770  22.156
  108   HG21  THR  15          HG21      THR  15  31.005  10.899  19.685
  109   HG22  THR  15          HG22      THR  15  31.486   9.417  20.510
  110   HG23  THR  15          HG23      THR  15  32.503  10.854  20.616
  111    HA   PRO  16           HA       PRO  16  26.226  11.811  24.273
  112    HB2  PRO  16           HB2      PRO  16  28.241  13.122  26.032
  113    HB3  PRO  16           HB1      PRO  16  26.756  12.259  26.470
  114    HG2  PRO  16           HG2      PRO  16  29.226  11.217  26.787
  115    HG3  PRO  16           HG1      PRO  16  27.781  10.238  26.499
  116    HD2  PRO  16           HD2      PRO  16  30.043  10.788  24.682
  117    HD3  PRO  16           HD1      PRO  16  28.840   9.480  24.640
  118    H    ASP  17           HN       ASP  17  29.314  13.469  23.547
  119    HA   ASP  17           HA       ASP  17  28.114  16.062  23.366
  120    HB2  ASP  17           HB2      ASP  17  30.803  14.972  22.543
  121    HB3  ASP  17           HB1      ASP  17  30.340  16.660  22.328
  122    H    GLY  18           HN       GLY  18  28.332  13.376  21.111
  123    HA2  GLY  18           HA2      GLY  18  26.681  14.418  19.229
  124    HA3  GLY  18           HA1      GLY  18  28.238  15.099  18.776
  125    H    ILE  19           HN       ILE  19  28.712  13.991  16.933
  126    HA   ILE  19           HA       ILE  19  29.032  11.081  17.168
  127    HB   ILE  19           HB       ILE  19  28.317  10.992  14.749
  128   HG12  ILE  19          HG12      ILE  19  27.239  13.757  15.342
  129   HG13  ILE  19          HG11      ILE  19  28.661  13.442  14.348
  130   HG21  ILE  19          HG21      ILE  19  26.315  10.335  15.562
  131   HG22  ILE  19          HG22      ILE  19  25.860  12.009  15.866
  132   HG23  ILE  19          HG23      ILE  19  26.730  11.097  17.097
  133   HD11  ILE  19          HD11      ILE  19  25.948  13.431  13.527
  134   HD12  ILE  19          HD12      ILE  19  26.499  11.756  13.470
  135   HD13  ILE  19          HD13      ILE  19  27.363  13.001  12.566
  136    H    ASP  20           HN       ASP  20  30.711  10.263  15.994
  137    HA   ASP  20           HA       ASP  20  32.620  12.215  14.843
  138    HB2  ASP  20           HB2      ASP  20  33.168   9.755  16.518
  139    HB3  ASP  20           HB1      ASP  20  34.413  10.615  15.612
  140    H    LEU  21           HN       LEU  21  33.402  11.736  12.814
  141    HA   LEU  21           HA       LEU  21  32.845   9.044  11.753
  142    HB2  LEU  21           HB2      LEU  21  32.293  11.745  10.477
  143    HB3  LEU  21           HB1      LEU  21  32.491  10.290   9.514
  144    HG   LEU  21           HG       LEU  21  30.123  10.726   9.874
  145   HD11  LEU  21          HD11      LEU  21  30.530   8.483  11.764
  146   HD12  LEU  21          HD12      LEU  21  31.283   8.330  10.178
  147   HD13  LEU  21          HD13      LEU  21  29.540   8.565  10.311
  148   HD21  LEU  21          HD21      LEU  21  30.863  11.720  12.330
  149   HD22  LEU  21          HD22      LEU  21  30.118  10.181  12.762
  150   HD23  LEU  21          HD23      LEU  21  29.209  11.372  11.838
  151    H    ARG  22           HN       ARG  22  34.724   8.183  11.177
  152    HA   ARG  22           HA       ARG  22  36.887   9.974  10.212
  153    HB2  ARG  22           HB2      ARG  22  37.088   7.550  11.992
  154    HB3  ARG  22           HB1      ARG  22  38.479   8.295  11.206
  155    HG2  ARG  22           HG2      ARG  22  37.987  10.428  12.317
  156    HG3  ARG  22           HG1      ARG  22  36.560   9.718  13.075
  157    HD2  ARG  22           HD2      ARG  22  37.987   8.083  14.241
  158    HD3  ARG  22           HD1      ARG  22  39.414   8.779  13.478
  159    HE   ARG  22           HE       ARG  22  38.100  10.864  14.788
  160   HH11  ARG  22          HH21      ARG  22  39.617   7.843  15.530
  161   HH12  ARG  22          HH22      ARG  22  40.126   8.330  17.113
  162   HH21  ARG  22          HH11      ARG  22  38.765  11.509  16.861
  163   HH22  ARG  22          HH12      ARG  22  39.643  10.406  17.866
  164    H    LEU  23           HN       LEU  23  37.986   9.439   8.396
  165    HA   LEU  23           HA       LEU  23  37.524   6.769   7.273
  166    HB2  LEU  23           HB2      LEU  23  37.120   9.357   5.751
  167    HB3  LEU  23           HB1      LEU  23  37.074   7.735   5.059
  168    HG   LEU  23           HG       LEU  23  35.281   7.397   7.040
  169   HD11  LEU  23          HD11      LEU  23  34.632  10.193   6.161
  170   HD12  LEU  23          HD12      LEU  23  35.715   9.951   7.531
  171   HD13  LEU  23          HD13      LEU  23  34.071   9.315   7.584
  172   HD21  LEU  23          HD21      LEU  23  34.894   6.946   4.659
  173   HD22  LEU  23          HD22      LEU  23  34.746   8.674   4.341
  174   HD23  LEU  23          HD23      LEU  23  33.537   7.854   5.328
  175    H    SER  24           HN       SER  24  39.273   5.939   6.332
  176    HA   SER  24           HA       SER  24  41.785   7.310   6.546
  177    HB2  SER  24           HB2      SER  24  40.951   4.598   5.549
  178    HB3  SER  24           HB1      SER  24  42.604   5.174   5.351
  179    HG   SER  24           HG       SER  24  41.139   4.657   7.701
  180    H    HIS  25           HN       HIS  25  43.215   7.833   4.895
  181    HA   HIS  25           HA       HIS  25  42.156   9.150   2.652
  182    HB2  HIS  25           HB2      HIS  25  44.948   8.144   3.241
  183    HB3  HIS  25           HB1      HIS  25  44.551   9.127   1.832
  184    HD2  HIS  25           HD2      HIS  25  44.104  11.866   2.386
  185    HE1  HIS  25           HE1      HIS  25  44.770  11.614   6.547
  186    HE2  HIS  25           HE2      HIS  25  44.425  13.210   4.602
  187    H    GLU  26           HN       GLU  26  43.124   5.888   3.206
  188    HA   GLU  26           HA       GLU  26  43.345   5.009   0.498
  189    HB2  GLU  26           HB2      GLU  26  42.732   3.514   3.059
  190    HB3  GLU  26           HB1      GLU  26  43.001   2.730   1.499
  191    HG2  GLU  26           HG2      GLU  26  45.221   3.724   1.340
  192    HG3  GLU  26           HG1      GLU  26  44.962   4.601   2.848
  193    H    ALA  27           HN       ALA  27  40.726   5.345   2.831
  194    HA   ALA  27           HA       ALA  27  38.748   3.838   1.402
  195    HB1  ALA  27           HB1      ALA  27  37.105   4.801   2.849
  196    HB2  ALA  27           HB2      ALA  27  38.073   6.254   3.096
  197    HB3  ALA  27           HB3      ALA  27  38.572   4.733   3.830
  198    H    LEU  28           HN       LEU  28  39.935   7.099   1.267
  199    HA   LEU  28           HA       LEU  28  37.891   8.158  -0.428
  200    HB2  LEU  28           HB2      LEU  28  40.738   9.122  -0.020
  201    HB3  LEU  28           HB1      LEU  28  39.514  10.002  -0.929
  202    HG   LEU  28           HG       LEU  28  39.164   9.143   1.958
  203   HD11  LEU  28          HD11      LEU  28  39.334  11.949   1.789
  204   HD12  LEU  28          HD12      LEU  28  40.696  11.332   0.853
  205   HD13  LEU  28          HD13      LEU  28  40.495  10.855   2.540
  206   HD21  LEU  28          HD21      LEU  28  37.006   9.569   1.298
  207   HD22  LEU  28          HD22      LEU  28  37.499  10.601  -0.042
  208   HD23  LEU  28          HD23      LEU  28  37.494  11.234   1.602
  209    H    ARG  29           HN       ARG  29  41.016   6.685  -1.030
  210    HA   ARG  29           HA       ARG  29  41.197   7.175  -3.782
  211    HB2  ARG  29           HB2      ARG  29  42.297   4.933  -2.072
  212    HB3  ARG  29           HB1      ARG  29  42.689   5.096  -3.783
  213    HG2  ARG  29           HG2      ARG  29  43.560   7.368  -3.369
  214    HG3  ARG  29           HG1      ARG  29  43.170   7.203  -1.655
  215    HD2  ARG  29           HD2      ARG  29  44.693   5.264  -1.503
  216    HD3  ARG  29           HD1      ARG  29  45.079   5.440  -3.213
  217    HE   ARG  29           HE       ARG  29  45.598   7.899  -2.011
  218   HH11  ARG  29          HH21      ARG  29  46.657   4.616  -1.843
  219   HH12  ARG  29          HH22      ARG  29  48.274   5.017  -1.369
  220   HH21  ARG  29          HH11      ARG  29  47.705   8.441  -1.386
  221   HH22  ARG  29          HH12      ARG  29  48.873   7.192  -1.109
  222    H    GLN  30           HN       GLN  30  39.703   4.415  -2.051
  223    HA   GLN  30           HA       GLN  30  38.994   2.983  -4.435
  224    HB2  GLN  30           HB2      GLN  30  37.846   2.865  -1.626
  225    HB3  GLN  30           HB1      GLN  30  37.354   1.774  -2.923
  226    HG2  GLN  30           HG2      GLN  30  39.697   1.041  -3.190
  227    HG3  GLN  30           HG1      GLN  30  40.178   2.135  -1.895
  228   HE21  GLN  30          HE21      GLN  30  40.904  -0.236  -1.115
  229   HE22  GLN  30          HE22      GLN  30  39.767  -1.020  -0.127
  230    H    ILE  31           HN       ILE  31  37.324   5.347  -2.375
  231    HA   ILE  31           HA       ILE  31  34.809   5.094  -3.677
  232    HB   ILE  31           HB       ILE  31  35.964   7.392  -2.096
  233   HG12  ILE  31          HG12      ILE  31  33.802   5.395  -1.384
  234   HG13  ILE  31          HG11      ILE  31  35.501   5.130  -1.013
  235   HG21  ILE  31          HG21      ILE  31  33.330   7.072  -3.496
  236   HG22  ILE  31          HG22      ILE  31  34.309   8.523  -3.270
  237   HG23  ILE  31          HG23      ILE  31  33.366   7.877  -1.928
  238   HD11  ILE  31          HD11      ILE  31  35.569   7.182   0.317
  239   HD12  ILE  31          HD12      ILE  31  34.263   6.149   0.900
  240   HD13  ILE  31          HD13      ILE  31  33.900   7.542  -0.118
  241    H    TYR  32           HN       TYR  32  37.457   7.484  -4.296
  242    HA   TYR  32           HA       TYR  32  36.013   8.901  -6.280
  243    HB2  TYR  32           HB2      TYR  32  38.023   9.850  -5.310
  244    HB3  TYR  32           HB1      TYR  32  39.001   8.531  -5.953
  245    HD1  TYR  32           HD2      TYR  32  36.756  11.338  -6.960
  246    HD2  TYR  32           HD1      TYR  32  39.865   8.624  -8.152
  247    HE1  TYR  32           HE2      TYR  32  37.010  12.566  -9.098
  248    HE2  TYR  32           HE1      TYR  32  40.117   9.851 -10.291
  249    HH   TYR  32           HH       TYR  32  38.292  11.451 -11.708
  250    H    LEU  33           HN       LEU  33  38.353   6.234  -6.559
  251    HA   LEU  33           HA       LEU  33  38.259   6.022  -9.369
  252    HB2  LEU  33           HB2      LEU  33  38.910   3.986  -7.233
  253    HB3  LEU  33           HB1      LEU  33  39.108   3.679  -8.957
  254    HG   LEU  33           HG       LEU  33  40.402   5.991  -7.476
  255   HD11  LEU  33          HD11      LEU  33  42.473   4.703  -7.584
  256   HD12  LEU  33          HD12      LEU  33  41.639   3.384  -8.405
  257   HD13  LEU  33          HD13      LEU  33  41.246   3.767  -6.729
  258   HD21  LEU  33          HD21      LEU  33  40.648   6.733  -9.611
  259   HD22  LEU  33          HD22      LEU  33  40.222   5.169 -10.306
  260   HD23  LEU  33          HD23      LEU  33  41.867   5.468  -9.751
  261    H    SER  34           HN       SER  34  36.314   4.384  -6.845
  262    HA   SER  34           HA       SER  34  34.921   2.636  -8.558
  263    HB2  SER  34           HB2      SER  34  33.202   2.580  -6.784
  264    HB3  SER  34           HB1      SER  34  34.827   2.432  -6.118
  265    HG   SER  34           HG       SER  34  34.600   4.879  -5.997
  266    H    GLY  35           HN       GLY  35  34.424   6.012  -7.737
  267    HA2  GLY  35           HA2      GLY  35  31.890   6.291  -9.039
  268    HA3  GLY  35           HA1      GLY  35  32.954   7.605  -8.537
  269    H    LEU  36           HN       LEU  36  35.251   6.760  -9.940
  270    HA   LEU  36           HA       LEU  36  34.891   8.030 -12.402
  271    HB2  LEU  36           HB2      LEU  36  37.069   7.869 -11.262
  272    HB3  LEU  36           HB1      LEU  36  37.093   6.131 -11.550
  273    HG   LEU  36           HG       LEU  36  37.085   6.527 -13.989
  274   HD11  LEU  36          HD11      LEU  36  37.667   9.065 -14.533
  275   HD12  LEU  36          HD12      LEU  36  36.735   9.351 -13.064
  276   HD13  LEU  36          HD13      LEU  36  35.992   8.522 -14.431
  277   HD21  LEU  36          HD21      LEU  36  39.236   6.407 -12.745
  278   HD22  LEU  36          HD22      LEU  36  39.202   8.161 -12.557
  279   HD23  LEU  36          HD23      LEU  36  39.348   7.449 -14.164
  280    H    HIS  37           HN       HIS  37  34.866   4.614 -11.524
  281    HA   HIS  37           HA       HIS  37  34.703   3.670 -14.240
  282    HB2  HIS  37           HB2      HIS  37  34.163   2.310 -11.589
  283    HB3  HIS  37           HB1      HIS  37  34.149   1.491 -13.151
  284    HD2  HIS  37           HD2      HIS  37  36.666   2.267 -10.436
  285    HE1  HIS  37           HE1      HIS  37  38.950   1.762 -13.950
  286    HE2  HIS  37           HE2      HIS  37  39.064   1.954 -11.420
  287    H    SER  38           HN       SER  38  32.510   4.711 -11.775
  288    HA   SER  38           HA       SER  38  30.114   3.529 -12.755
  289    HB2  SER  38           HB2      SER  38  30.288   6.156 -11.281
  290    HB3  SER  38           HB1      SER  38  28.970   4.989 -11.271
  291    HG   SER  38           HG       SER  38  31.267   3.801 -10.548
  292    H    TRP  39           HN       TRP  39  32.151   5.782 -14.183
  293    HA   TRP  39           HA       TRP  39  30.271   7.585 -15.301
  294    HB2  TRP  39           HB2      TRP  39  32.576   8.218 -15.263
  295    HB3  TRP  39           HB1      TRP  39  33.056   6.759 -16.129
  296    HD1  TRP  39           HD1      TRP  39  33.189   6.926 -18.666
  297    HE1  TRP  39           HE1      TRP  39  32.413   8.632 -20.437
  298    HE3  TRP  39           HE3      TRP  39  30.500  10.106 -15.710
  299    HZ2  TRP  39           HZ2      TRP  39  30.858  11.029 -20.581
  300    HZ3  TRP  39           HZ3      TRP  39  29.384  12.090 -16.688
  301    HH2  TRP  39           HH2      TRP  39  29.560  12.556 -19.118
  302    H    LYS  40           HN       LYS  40  31.536   4.456 -16.309
  303    HA   LYS  40           HA       LYS  40  30.954   3.039 -18.022
  304    HB2  LYS  40           HB2      LYS  40  28.769   3.185 -16.850
  305    HB3  LYS  40           HB1      LYS  40  28.330   4.543 -17.887
  306    HG2  LYS  40           HG2      LYS  40  28.544   3.125 -19.878
  307    HG3  LYS  40           HG1      LYS  40  29.051   1.766 -18.873
  308    HD2  LYS  40           HD2      LYS  40  26.880   1.835 -17.692
  309    HD3  LYS  40           HD1      LYS  40  26.371   3.178 -18.715
  310    HE2  LYS  40           HE2      LYS  40  26.610   1.759 -20.714
  311    HE3  LYS  40           HE1      LYS  40  27.139   0.415 -19.702
  312    HZ1  LYS  40           HZ1      LYS  40  24.697   0.510 -20.358
  313    HZ2  LYS  40           HZ2      LYS  40  24.559   1.775 -19.231
  314    HZ3  LYS  40           HZ3      LYS  40  25.053   0.230 -18.724
  315    H    LYS  41           HN       LYS  41  32.258   3.609 -19.706
  316    HA   LYS  41           HA       LYS  41  31.764   5.949 -21.315
  317    HB2  LYS  41           HB2      LYS  41  33.632   3.596 -21.672
  318    HB3  LYS  41           HB1      LYS  41  33.587   4.995 -22.745
  319    HG2  LYS  41           HG2      LYS  41  34.090   6.479 -20.840
  320    HG3  LYS  41           HG1      LYS  41  34.135   5.082 -19.763
  321    HD2  LYS  41           HD2      LYS  41  35.998   4.128 -21.066
  322    HD3  LYS  41           HD1      LYS  41  35.955   5.520 -22.149
  323    HE2  LYS  41           HE2      LYS  41  36.462   7.017 -20.257
  324    HE3  LYS  41           HE1      LYS  41  36.496   5.631 -19.167
  325    HZ1  LYS  41           HZ1      LYS  41  38.340   4.722 -20.363
  326    HZ2  LYS  41           HZ2      LYS  41  38.715   6.324 -19.942
  327    HZ3  LYS  41           HZ3      LYS  41  38.258   5.947 -21.534
  328    H    LYS  42           HN       LYS  42  30.881   6.061 -23.351
  329    HA   LYS  42           HA       LYS  42  28.900   4.142 -24.036
  330    HB2  LYS  42           HB2      LYS  42  28.762   6.557 -24.618
  331    HB3  LYS  42           HB1      LYS  42  30.079   6.327 -25.770
  332    HG2  LYS  42           HG2      LYS  42  28.736   4.692 -27.014
  333    HG3  LYS  42           HG1      LYS  42  27.427   4.854 -25.842
  334    HD2  LYS  42           HD2      LYS  42  27.211   7.247 -26.414
  335    HD3  LYS  42           HD1      LYS  42  28.507   7.077 -27.600
  336    HE2  LYS  42           HE2      LYS  42  27.171   5.419 -28.838
  337    HE3  LYS  42           HE1      LYS  42  25.877   5.567 -27.647
  338    HZ1  LYS  42           HZ1      LYS  42  26.763   8.078 -28.748
  339    HZ2  LYS  42           HZ2      LYS  42  25.187   7.485 -28.522
  340    HZ3  LYS  42           HZ3      LYS  42  26.079   7.034 -29.896
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1  52.423 -10.737  19.598
    2    H2   MET   1           HT2      MET   1  53.508 -10.173  18.420
    3    H3   MET   1           HT3      MET   1  53.298 -11.842  18.656
    4    HA   MET   1           HA       MET   1  51.491  -9.909  17.362
    5    HB2  MET   1           HB2      MET   1  52.576 -12.668  16.727
    6    HB3  MET   1           HB1      MET   1  51.311 -11.898  15.774
    7    HG2  MET   1           HG2      MET   1  54.057 -10.711  16.273
    8    HG3  MET   1           HG1      MET   1  53.588 -11.561  14.804
    9    HE1  MET   1           HE1      MET   1  50.410 -10.219  14.180
   10    HE2  MET   1           HE2      MET   1  51.744 -11.127  13.476
   11    HE3  MET   1           HE3      MET   1  51.365  -9.519  12.867
   12    H    ALA   2           HN       ALA   2  51.284 -11.443  20.095
   13    HA   ALA   2           HA       ALA   2  49.227 -13.348  19.884
   14    HB1  ALA   2           HB1      ALA   2  49.513 -13.474  22.104
   15    HB2  ALA   2           HB2      ALA   2  49.014 -11.796  22.320
   16    HB3  ALA   2           HB3      ALA   2  50.699 -12.175  21.961
   17    H    GLU   3           HN       GLU   3  49.092  -9.818  20.257
   18    HA   GLU   3           HA       GLU   3  46.233  -9.752  20.517
   19    HB2  GLU   3           HB2      GLU   3  48.240  -7.587  19.868
   20    HB3  GLU   3           HB1      GLU   3  46.517  -7.302  20.121
   21    HG2  GLU   3           HG2      GLU   3  46.683  -8.255  22.383
   22    HG3  GLU   3           HG1      GLU   3  48.403  -8.556  22.134
   23    H    ALA   4           HN       ALA   4  44.710  -9.613  18.988
   24    HA   ALA   4           HA       ALA   4  45.331 -10.167  16.264
   25    HB1  ALA   4           HB1      ALA   4  43.243 -10.949  17.112
   26    HB2  ALA   4           HB2      ALA   4  42.853  -9.682  15.949
   27    HB3  ALA   4           HB3      ALA   4  42.793  -9.342  17.680
   28    H    HIS   5           HN       HIS   5  45.217  -8.827  14.442
   29    HA   HIS   5           HA       HIS   5  44.940  -5.924  14.948
   30    HB2  HIS   5           HB2      HIS   5  47.366  -6.760  14.744
   31    HB3  HIS   5           HB1      HIS   5  46.988  -7.048  13.046
   32    HD2  HIS   5           HD2      HIS   5  47.151  -3.953  15.522
   33    HE1  HIS   5           HE1      HIS   5  47.364  -2.536  11.551
   34    HE2  HIS   5           HE2      HIS   5  47.522  -1.868  13.996
   35    H    GLN   6           HN       GLN   6  43.579  -4.941  13.582
   36    HA   GLN   6           HA       GLN   6  43.121  -6.129  10.922
   37    HB2  GLN   6           HB2      GLN   6  40.983  -5.265  12.883
   38    HB3  GLN   6           HB1      GLN   6  40.685  -5.625  11.183
   39    HG2  GLN   6           HG2      GLN   6  41.539  -7.908  11.496
   40    HG3  GLN   6           HG1      GLN   6  41.890  -7.556  13.188
   41   HE21  GLN   6          HE21      GLN   6  40.262  -9.572  13.237
   42   HE22  GLN   6          HE22      GLN   6  38.625  -9.156  13.404
   43    H    ALA   7           HN       ALA   7  42.427  -4.656   9.327
   44    HA   ALA   7           HA       ALA   7  43.097  -1.852   9.951
   45    HB1  ALA   7           HB1      ALA   7  44.266  -3.300   8.095
   46    HB2  ALA   7           HB2      ALA   7  43.848  -1.620   7.761
   47    HB3  ALA   7           HB3      ALA   7  42.817  -2.920   7.164
   48    H    VAL   8           HN       VAL   8  41.593  -0.295   9.797
   49    HA   VAL   8           HA       VAL   8  38.970  -1.000   8.611
   50    HB   VAL   8           HB       VAL   8  37.975   0.577  10.233
   51   HG11  VAL   8          HG11      VAL   8  38.177  -1.836  10.800
   52   HG12  VAL   8          HG12      VAL   8  38.271  -0.809  12.231
   53   HG13  VAL   8          HG13      VAL   8  39.740  -1.510  11.552
   54   HG21  VAL   8          HG21      VAL   8  39.545   1.217  12.178
   55   HG22  VAL   8          HG22      VAL   8  39.721   2.122  10.673
   56   HG23  VAL   8          HG23      VAL   8  40.866   0.840  11.071
   57    H    ALA   9           HN       ALA   9  38.283   0.261   6.975
   58    HA   ALA   9           HA       ALA   9  39.933   2.533   6.183
   59    HB1  ALA   9           HB1      ALA   9  38.670   0.592   4.736
   60    HB2  ALA   9           HB2      ALA   9  39.207   2.138   4.080
   61    HB3  ALA   9           HB3      ALA   9  37.532   1.933   4.591
   62    H    PHE  10           HN       PHE  10  36.789   1.901   7.579
   63    HA   PHE  10           HA       PHE  10  36.453   4.785   7.891
   64    HB2  PHE  10           HB2      PHE  10  34.257   4.913   7.063
   65    HB3  PHE  10           HB1      PHE  10  35.164   4.028   5.851
   66    HD1  PHE  10           HD1      PHE  10  35.175   1.318   7.493
   67    HD2  PHE  10           HD2      PHE  10  32.100   4.113   6.401
   68    HE1  PHE  10           HE1      PHE  10  33.497  -0.479   7.628
   69    HE2  PHE  10           HE2      PHE  10  30.420   2.298   6.531
   70    HZ   PHE  10           HZ       PHE  10  31.118   0.002   7.145
   71    H    GLN  11           HN       GLN  11  35.765   5.410   9.843
   72    HA   GLN  11           HA       GLN  11  34.555   3.361  11.616
   73    HB2  GLN  11           HB2      GLN  11  36.717   5.360  12.287
   74    HB3  GLN  11           HB1      GLN  11  35.831   4.436  13.495
   75    HG2  GLN  11           HG2      GLN  11  36.596   2.342  12.468
   76    HG3  GLN  11           HG1      GLN  11  37.454   3.252  11.226
   77   HE21  GLN  11          HE21      GLN  11  37.834   1.797  14.273
   78   HE22  GLN  11          HE22      GLN  11  39.272   2.572  14.735
   79    H    PHE  12           HN       PHE  12  32.722   3.949  12.625
   80    HA   PHE  12           HA       PHE  12  32.023   6.822  12.649
   81    HB2  PHE  12           HB2      PHE  12  30.601   5.893  11.052
   82    HB3  PHE  12           HB1      PHE  12  30.463   4.367  11.906
   83    HD1  PHE  12           HD1      PHE  12  30.049   7.698  13.552
   84    HD2  PHE  12           HD2      PHE  12  28.086   4.250  11.899
   85    HE1  PHE  12           HE1      PHE  12  27.918   8.398  14.607
   86    HE2  PHE  12           HE2      PHE  12  25.955   4.967  12.935
   87    HZ   PHE  12           HZ       PHE  12  25.867   7.036  14.285
   88    H    THR  13           HN       THR  13  31.791   7.575  14.678
   89    HA   THR  13           HA       THR  13  30.903   5.702  16.794
   90    HB   THR  13           HB       THR  13  32.399   7.311  18.242
   91    HG1  THR  13           HG1      THR  13  34.317   7.605  16.694
   92   HG21  THR  13          HG21      THR  13  32.940   5.034  18.268
   93   HG22  THR  13          HG22      THR  13  34.388   5.760  17.569
   94   HG23  THR  13          HG23      THR  13  33.201   4.983  16.524
   95    H    VAL  14           HN       VAL  14  29.260   6.329  18.028
   96    HA   VAL  14           HA       VAL  14  28.215   9.046  17.654
   97    HB   VAL  14           HB       VAL  14  26.993   6.608  18.972
   98   HG11  VAL  14          HG11      VAL  14  25.779   8.261  19.993
   99   HG12  VAL  14          HG12      VAL  14  24.929   8.280  18.449
  100   HG13  VAL  14          HG13      VAL  14  26.195   9.463  18.774
  101   HG21  VAL  14          HG21      VAL  14  27.302   6.541  16.462
  102   HG22  VAL  14          HG22      VAL  14  26.274   7.968  16.365
  103   HG23  VAL  14          HG23      VAL  14  25.621   6.456  16.991
  104    H    THR  15           HN       THR  15  28.563  10.578  19.175
  105    HA   THR  15           HA       THR  15  29.285   9.657  21.891
  106    HB   THR  15           HB       THR  15  30.364  12.122  21.808
  107    HG1  THR  15           HG1      THR  15  30.257  12.761  19.813
  108   HG21  THR  15          HG21      THR  15  31.473   9.458  20.938
  109   HG22  THR  15          HG22      THR  15  31.713  10.307  22.467
  110   HG23  THR  15          HG23      THR  15  32.500  10.889  20.998
  111    HA   PRO  16           HA       PRO  16  25.840  11.923  23.401
  112    HB2  PRO  16           HB2      PRO  16  27.193  13.409  25.434
  113    HB3  PRO  16           HB1      PRO  16  26.270  11.912  25.628
  114    HG2  PRO  16           HG2      PRO  16  29.139  12.315  25.625
  115    HG3  PRO  16           HG1      PRO  16  28.203  10.899  26.118
  116    HD2  PRO  16           HD2      PRO  16  29.779  11.084  23.813
  117    HD3  PRO  16           HD1      PRO  16  28.534   9.858  24.123
  118    H    ASP  17           HN       ASP  17  28.834  13.599  22.585
  119    HA   ASP  17           HA       ASP  17  27.541  16.189  22.465
  120    HB2  ASP  17           HB2      ASP  17  30.299  15.227  21.690
  121    HB3  ASP  17           HB1      ASP  17  29.756  16.892  21.496
  122    H    GLY  18           HN       GLY  18  27.925  13.446  20.321
  123    HA2  GLY  18           HA2      GLY  18  26.257  14.315  18.371
  124    HA3  GLY  18           HA1      GLY  18  27.788  15.043  17.902
  125    H    ILE  19           HN       ILE  19  28.340  13.864  16.125
  126    HA   ILE  19           HA       ILE  19  28.781  10.987  16.509
  127    HB   ILE  19           HB       ILE  19  28.171  10.738  14.077
  128   HG12  ILE  19          HG12      ILE  19  26.915  13.468  14.440
  129   HG13  ILE  19          HG11      ILE  19  28.431  13.205  13.581
  130   HG21  ILE  19          HG21      ILE  19  26.607  10.246  16.023
  131   HG22  ILE  19          HG22      ILE  19  25.813  10.579  14.483
  132   HG23  ILE  19          HG23      ILE  19  25.884  11.825  15.730
  133   HD11  ILE  19          HD11      ILE  19  27.396  12.008  11.849
  134   HD12  ILE  19          HD12      ILE  19  26.220  13.273  12.203
  135   HD13  ILE  19          HD13      ILE  19  25.971  11.643  12.820
  136    H    ASP  20           HN       ASP  20  30.561  10.209  15.417
  137    HA   ASP  20           HA       ASP  20  32.358  12.205  14.170
  138    HB2  ASP  20           HB2      ASP  20  33.031  10.133  16.257
  139    HB3  ASP  20           HB1      ASP  20  34.259  10.839  15.210
  140    H    LEU  21           HN       LEU  21  33.456  11.530  12.347
  141    HA   LEU  21           HA       LEU  21  33.225   8.701  11.626
  142    HB2  LEU  21           HB2      LEU  21  32.433  11.028   9.858
  143    HB3  LEU  21           HB1      LEU  21  32.597   9.361   9.309
  144    HG   LEU  21           HG       LEU  21  30.941   8.966  11.411
  145   HD11  LEU  21          HD11      LEU  21  31.008  11.560  11.685
  146   HD12  LEU  21          HD12      LEU  21  29.445  10.744  11.767
  147   HD13  LEU  21          HD13      LEU  21  29.931  11.571  10.287
  148   HD21  LEU  21          HD21      LEU  21  30.416   8.140   9.231
  149   HD22  LEU  21          HD22      LEU  21  30.293   9.769   8.568
  150   HD23  LEU  21          HD23      LEU  21  29.064   9.178   9.685
  151    H    ARG  22           HN       ARG  22  35.127   7.974  11.157
  152    HA   ARG  22           HA       ARG  22  37.184   9.832  10.094
  153    HB2  ARG  22           HB2      ARG  22  37.467   7.482  11.957
  154    HB3  ARG  22           HB1      ARG  22  38.838   8.237  11.155
  155    HG2  ARG  22           HG2      ARG  22  38.288  10.388  12.181
  156    HG3  ARG  22           HG1      ARG  22  36.853   9.687  12.927
  157    HD2  ARG  22           HD2      ARG  22  38.243   8.162  14.238
  158    HD3  ARG  22           HD1      ARG  22  39.696   8.771  13.448
  159    HE   ARG  22           HE       ARG  22  38.465  10.992  14.545
  160   HH11  ARG  22          HH21      ARG  22  39.657   7.937  15.654
  161   HH12  ARG  22          HH22      ARG  22  40.112   8.527  17.217
  162   HH21  ARG  22          HH11      ARG  22  39.058  11.771  16.587
  163   HH22  ARG  22          HH12      ARG  22  39.774  10.702  17.744
  164    H    LEU  23           HN       LEU  23  38.303   9.302   8.283
  165    HA   LEU  23           HA       LEU  23  37.970   6.583   7.234
  166    HB2  LEU  23           HB2      LEU  23  37.406   9.128   5.696
  167    HB3  LEU  23           HB1      LEU  23  37.514   7.517   4.987
  168    HG   LEU  23           HG       LEU  23  35.724   7.073   7.003
  169   HD11  LEU  23          HD11      LEU  23  34.209   8.898   7.197
  170   HD12  LEU  23          HD12      LEU  23  34.981   9.776   5.878
  171   HD13  LEU  23          HD13      LEU  23  35.813   9.602   7.422
  172   HD21  LEU  23          HD21      LEU  23  35.456   6.352   4.700
  173   HD22  LEU  23          HD22      LEU  23  35.224   8.017   4.167
  174   HD23  LEU  23          HD23      LEU  23  34.008   7.238   5.180
  175    H    SER  24           HN       SER  24  39.764   5.820   6.313
  176    HA   SER  24           HA       SER  24  42.190   7.352   6.466
  177    HB2  SER  24           HB2      SER  24  43.305   5.372   5.988
  178    HB3  SER  24           HB1      SER  24  41.828   4.776   6.739
  179    HG   SER  24           HG       SER  24  41.727   3.687   4.922
  180    H    HIS  25           HN       HIS  25  43.605   7.823   4.730
  181    HA   HIS  25           HA       HIS  25  42.434   9.082   2.503
  182    HB2  HIS  25           HB2      HIS  25  45.264   8.092   2.935
  183    HB3  HIS  25           HB1      HIS  25  44.767   9.110   1.584
  184    HD2  HIS  25           HD2      HIS  25  42.714  10.703   4.118
  185    HE1  HIS  25           HE1      HIS  25  46.519  12.346   4.907
  186    HE2  HIS  25           HE2      HIS  25  44.027  12.617   5.302
  187    H    GLU  26           HN       GLU  26  43.459   5.846   3.095
  188    HA   GLU  26           HA       GLU  26  43.560   4.936   0.395
  189    HB2  GLU  26           HB2      GLU  26  44.602   3.688   2.262
  190    HB3  GLU  26           HB1      GLU  26  42.999   3.346   2.914
  191    HG2  GLU  26           HG2      GLU  26  42.393   2.148   0.859
  192    HG3  GLU  26           HG1      GLU  26  43.962   2.533   0.156
  193    H    ALA  27           HN       ALA  27  41.021   5.112   2.849
  194    HA   ALA  27           HA       ALA  27  39.013   3.685   1.478
  195    HB1  ALA  27           HB1      ALA  27  37.870   5.852   2.974
  196    HB2  ALA  27           HB2      ALA  27  39.221   5.174   3.881
  197    HB3  ALA  27           HB3      ALA  27  37.891   4.136   3.367
  198    H    LEU  28           HN       LEU  28  40.155   6.934   1.294
  199    HA   LEU  28           HA       LEU  28  38.038   8.011  -0.300
  200    HB2  LEU  28           HB2      LEU  28  40.876   8.957   0.159
  201    HB3  LEU  28           HB1      LEU  28  39.629   9.904  -0.652
  202    HG   LEU  28           HG       LEU  28  39.360   8.786   2.159
  203   HD11  LEU  28          HD11      LEU  28  40.963  10.936   1.361
  204   HD12  LEU  28          HD12      LEU  28  40.392  10.598   2.995
  205   HD13  LEU  28          HD13      LEU  28  39.478  11.684   1.948
  206   HD21  LEU  28          HD21      LEU  28  37.172   9.157   1.541
  207   HD22  LEU  28          HD22      LEU  28  37.599  10.370   0.337
  208   HD23  LEU  28          HD23      LEU  28  37.585  10.794   2.047
  209    H    ARG  29           HN       ARG  29  41.172   6.580  -0.979
  210    HA   ARG  29           HA       ARG  29  41.297   7.098  -3.738
  211    HB2  ARG  29           HB2      ARG  29  43.193   6.278  -2.330
  212    HB3  ARG  29           HB1      ARG  29  42.398   4.708  -2.238
  213    HG2  ARG  29           HG2      ARG  29  42.493   4.527  -4.713
  214    HG3  ARG  29           HG1      ARG  29  43.345   6.072  -4.776
  215    HD2  ARG  29           HD2      ARG  29  45.110   5.105  -3.293
  216    HD3  ARG  29           HD1      ARG  29  44.290   3.552  -3.388
  217    HE   ARG  29           HE       ARG  29  45.041   3.324  -5.600
  218   HH11  ARG  29          HH21      ARG  29  45.724   6.456  -4.290
  219   HH12  ARG  29          HH22      ARG  29  46.828   6.892  -5.549
  220   HH21  ARG  29          HH11      ARG  29  46.489   3.894  -7.254
  221   HH22  ARG  29          HH12      ARG  29  47.254   5.448  -7.230
  222    H    GLN  30           HN       GLN  30  39.838   4.406  -1.935
  223    HA   GLN  30           HA       GLN  30  39.127   2.889  -4.248
  224    HB2  GLN  30           HB2      GLN  30  38.920   2.628  -1.404
  225    HB3  GLN  30           HB1      GLN  30  37.335   2.327  -2.115
  226    HG2  GLN  30           HG2      GLN  30  38.596   0.238  -2.022
  227    HG3  GLN  30           HG1      GLN  30  38.385   0.724  -3.703
  228   HE21  GLN  30          HE21      GLN  30  40.325  -0.217  -4.551
  229   HE22  GLN  30          HE22      GLN  30  41.874   0.286  -4.071
  230    H    ILE  31           HN       ILE  31  37.436   5.213  -2.189
  231    HA   ILE  31           HA       ILE  31  34.936   4.946  -3.436
  232    HB   ILE  31           HB       ILE  31  36.153   7.182  -1.830
  233   HG12  ILE  31          HG12      ILE  31  35.438   4.784  -0.953
  234   HG13  ILE  31          HG11      ILE  31  35.047   6.228  -0.019
  235   HG21  ILE  31          HG21      ILE  31  33.460   6.952  -3.162
  236   HG22  ILE  31          HG22      ILE  31  34.550   8.337  -3.105
  237   HG23  ILE  31          HG23      ILE  31  33.645   7.871  -1.666
  238   HD11  ILE  31          HD11      ILE  31  33.146   4.512  -0.441
  239   HD12  ILE  31          HD12      ILE  31  33.117   5.152  -2.081
  240   HD13  ILE  31          HD13      ILE  31  32.792   6.215  -0.717
  241    H    TYR  32           HN       TYR  32  37.575   7.307  -4.149
  242    HA   TYR  32           HA       TYR  32  36.074   8.717  -6.091
  243    HB2  TYR  32           HB2      TYR  32  38.104   9.680  -5.200
  244    HB3  TYR  32           HB1      TYR  32  39.066   8.341  -5.829
  245    HD1  TYR  32           HD2      TYR  32  36.792  11.115  -6.867
  246    HD2  TYR  32           HD1      TYR  32  39.903   8.396  -8.046
  247    HE1  TYR  32           HE2      TYR  32  37.006  12.301  -9.034
  248    HE2  TYR  32           HE1      TYR  32  40.116   9.583 -10.217
  249    HH   TYR  32           HH       TYR  32  38.885  12.602 -10.789
  250    H    LEU  33           HN       LEU  33  38.364   5.998  -6.431
  251    HA   LEU  33           HA       LEU  33  38.154   5.769  -9.235
  252    HB2  LEU  33           HB2      LEU  33  38.758   3.688  -7.122
  253    HB3  LEU  33           HB1      LEU  33  38.913   3.398  -8.851
  254    HG   LEU  33           HG       LEU  33  40.373   5.575  -7.322
  255   HD11  LEU  33          HD11      LEU  33  41.261   2.853  -8.309
  256   HD12  LEU  33          HD12      LEU  33  41.234   3.425  -6.642
  257   HD13  LEU  33          HD13      LEU  33  42.377   4.116  -7.793
  258   HD21  LEU  33          HD21      LEU  33  40.487   6.405  -9.455
  259   HD22  LEU  33          HD22      LEU  33  40.120   4.847 -10.193
  260   HD23  LEU  33          HD23      LEU  33  41.754   5.191  -9.630
  261    H    SER  34           HN       SER  34  36.283   4.196  -6.620
  262    HA   SER  34           HA       SER  34  34.685   2.565  -8.280
  263    HB2  SER  34           HB2      SER  34  33.904   3.821  -5.640
  264    HB3  SER  34           HB1      SER  34  33.170   2.405  -6.386
  265    HG   SER  34           HG       SER  34  34.653   1.332  -5.369
  266    H    GLY  35           HN       GLY  35  34.420   5.898  -7.235
  267    HA2  GLY  35           HA2      GLY  35  31.801   6.370  -8.274
  268    HA3  GLY  35           HA1      GLY  35  32.961   7.599  -7.776
  269    H    LEU  36           HN       LEU  36  35.083   6.807  -9.473
  270    HA   LEU  36           HA       LEU  36  34.554   8.310 -11.761
  271    HB2  LEU  36           HB2      LEU  36  36.826   7.897 -10.840
  272    HB3  LEU  36           HB1      LEU  36  36.714   6.221 -11.369
  273    HG   LEU  36           HG       LEU  36  36.463   6.984 -13.717
  274   HD11  LEU  36          HD11      LEU  36  35.582   9.100 -13.826
  275   HD12  LEU  36          HD12      LEU  36  37.287   9.550 -13.866
  276   HD13  LEU  36          HD13      LEU  36  36.392   9.628 -12.350
  277   HD21  LEU  36          HD21      LEU  36  38.699   6.709 -13.703
  278   HD22  LEU  36          HD22      LEU  36  38.802   7.270 -12.035
  279   HD23  LEU  36          HD23      LEU  36  38.861   8.432 -13.360
  280    H    HIS  37           HN       HIS  37  34.478   4.834 -11.212
  281    HA   HIS  37           HA       HIS  37  33.954   4.170 -13.964
  282    HB2  HIS  37           HB2      HIS  37  34.143   2.710 -11.380
  283    HB3  HIS  37           HB1      HIS  37  33.183   1.961 -12.656
  284    HD2  HIS  37           HD2      HIS  37  36.835   2.168 -11.653
  285    HE1  HIS  37           HE1      HIS  37  36.867   1.285 -15.781
  286    HE2  HIS  37           HE2      HIS  37  38.292   1.411 -13.683
  287    H    SER  38           HN       SER  38  32.093   4.832 -11.088
  288    HA   SER  38           HA       SER  38  29.582   3.860 -11.950
  289    HB2  SER  38           HB2      SER  38  30.172   6.160 -10.077
  290    HB3  SER  38           HB1      SER  38  28.629   5.327 -10.231
  291    HG   SER  38           HG       SER  38  31.011   4.512  -9.055
  292    H    TRP  39           HN       TRP  39  31.117   7.099 -12.310
  293    HA   TRP  39           HA       TRP  39  28.849   8.225 -13.617
  294    HB2  TRP  39           HB2      TRP  39  30.580   9.620 -12.547
  295    HB3  TRP  39           HB1      TRP  39  31.755   9.080 -13.745
  296    HD1  TRP  39           HD1      TRP  39  28.208  10.637 -13.791
  297    HE1  TRP  39           HE1      TRP  39  28.112  12.382 -15.684
  298    HE3  TRP  39           HE3      TRP  39  32.942  10.167 -15.677
  299    HZ2  TRP  39           HZ2      TRP  39  29.808  13.442 -17.721
  300    HZ3  TRP  39           HZ3      TRP  39  33.668  11.564 -17.591
  301    HH2  TRP  39           HH2      TRP  39  32.110  13.199 -18.613
  302    H    LYS  40           HN       LYS  40  31.712   6.488 -14.662
  303    HA   LYS  40           HA       LYS  40  32.292   5.510 -16.648
  304    HB2  LYS  40           HB2      LYS  40  29.932   4.599 -16.400
  305    HB3  LYS  40           HB1      LYS  40  29.418   5.879 -17.496
  306    HG2  LYS  40           HG2      LYS  40  30.894   5.058 -19.245
  307    HG3  LYS  40           HG1      LYS  40  31.583   3.860 -18.148
  308    HD2  LYS  40           HD2      LYS  40  29.381   2.764 -17.946
  309    HD3  LYS  40           HD1      LYS  40  28.680   3.961 -19.035
  310    HE2  LYS  40           HE2      LYS  40  30.196   3.232 -20.834
  311    HE3  LYS  40           HE1      LYS  40  30.931   2.052 -19.749
  312    HZ1  LYS  40           HZ1      LYS  40  29.050   1.319 -21.329
  313    HZ2  LYS  40           HZ2      LYS  40  28.019   2.037 -20.186
  314    HZ3  LYS  40           HZ3      LYS  40  29.043   0.759 -19.728
  315    H    LYS  41           HN       LYS  41  33.076   6.076 -18.618
  316    HA   LYS  41           HA       LYS  41  32.991   8.887 -19.301
  317    HB2  LYS  41           HB2      LYS  41  34.298   6.617 -20.816
  318    HB3  LYS  41           HB1      LYS  41  34.679   8.331 -20.936
  319    HG2  LYS  41           HG2      LYS  41  35.024   6.698 -18.403
  320    HG3  LYS  41           HG1      LYS  41  36.320   7.004 -19.557
  321    HD2  LYS  41           HD2      LYS  41  36.003   9.454 -19.214
  322    HD3  LYS  41           HD1      LYS  41  34.784   9.100 -17.990
  323    HE2  LYS  41           HE2      LYS  41  36.460   7.825 -16.695
  324    HE3  LYS  41           HE1      LYS  41  37.685   8.250 -17.892
  325    HZ1  LYS  41           HZ1      LYS  41  37.573  10.488 -17.329
  326    HZ2  LYS  41           HZ2      LYS  41  37.483   9.706 -15.822
  327    HZ3  LYS  41           HZ3      LYS  41  36.077  10.328 -16.547
  328    H    LYS  42           HN       LYS  42  32.059   9.805 -21.091
  329    HA   LYS  42           HA       LYS  42  30.627  10.040 -22.874
  330    HB2  LYS  42           HB2      LYS  42  32.186   8.078 -23.681
  331    HB3  LYS  42           HB1      LYS  42  30.749   7.094 -23.415
  332    HG2  LYS  42           HG2      LYS  42  29.451   8.512 -24.922
  333    HG3  LYS  42           HG1      LYS  42  30.831   9.591 -25.137
  334    HD2  LYS  42           HD2      LYS  42  32.136   7.762 -26.124
  335    HD3  LYS  42           HD1      LYS  42  30.786   6.654 -25.877
  336    HE2  LYS  42           HE2      LYS  42  30.521   7.295 -28.117
  337    HE3  LYS  42           HE1      LYS  42  29.422   8.383 -27.269
  338    HZ1  LYS  42           HZ1      LYS  42  30.546   9.957 -28.370
  339    HZ2  LYS  42           HZ2      LYS  42  31.888   8.959 -28.662
  340    HZ3  LYS  42           HZ3      LYS  42  31.722   9.747 -27.168
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1  46.374  -4.775  -2.602
    2    H2   MET   1           HT2      MET   1  47.877  -5.539  -2.821
    3    H3   MET   1           HT3      MET   1  47.320  -5.181  -1.253
    4    HA   MET   1           HA       MET   1  45.307  -6.672  -2.031
    5    HB2  MET   1           HB2      MET   1  47.735  -7.677  -3.556
    6    HB3  MET   1           HB1      MET   1  46.236  -8.582  -3.346
    7    HG2  MET   1           HG2      MET   1  46.492  -5.894  -4.730
    8    HG3  MET   1           HG1      MET   1  46.290  -7.442  -5.539
    9    HE1  MET   1           HE1      MET   1  42.957  -8.625  -5.141
   10    HE2  MET   1           HE2      MET   1  43.699  -8.881  -3.565
   11    HE3  MET   1           HE3      MET   1  44.674  -9.031  -5.024
   12    H    ALA   2           HN       ALA   2  47.251  -5.839   0.022
   13    HA   ALA   2           HA       ALA   2  47.434  -8.395   1.437
   14    HB1  ALA   2           HB1      ALA   2  49.744  -8.164   1.993
   15    HB2  ALA   2           HB2      ALA   2  49.819  -6.544   1.297
   16    HB3  ALA   2           HB3      ALA   2  49.639  -7.948   0.247
   17    H    GLU   3           HN       GLU   3  47.521  -8.161   3.722
   18    HA   GLU   3           HA       GLU   3  47.423  -5.460   4.834
   19    HB2  GLU   3           HB2      GLU   3  45.081  -5.957   4.215
   20    HB3  GLU   3           HB1      GLU   3  45.141  -7.416   5.207
   21    HG2  GLU   3           HG2      GLU   3  45.576  -6.078   7.207
   22    HG3  GLU   3           HG1      GLU   3  45.617  -4.606   6.239
   23    H    ALA   4           HN       ALA   4  49.143  -5.769   6.160
   24    HA   ALA   4           HA       ALA   4  49.607  -8.195   7.605
   25    HB1  ALA   4           HB1      ALA   4  51.345  -6.493   6.845
   26    HB2  ALA   4           HB2      ALA   4  51.518  -7.115   8.486
   27    HB3  ALA   4           HB3      ALA   4  50.832  -5.511   8.218
   28    H    HIS   5           HN       HIS   5  48.364  -4.984   8.535
   29    HA   HIS   5           HA       HIS   5  47.551  -6.147  11.138
   30    HB2  HIS   5           HB2      HIS   5  48.248  -3.278  10.473
   31    HB3  HIS   5           HB1      HIS   5  47.703  -3.861  12.048
   32    HD2  HIS   5           HD2      HIS   5  50.998  -3.344  10.241
   33    HE1  HIS   5           HE1      HIS   5  51.794  -6.251  13.193
   34    HE2  HIS   5           HE2      HIS   5  52.852  -4.659  11.523
   35    H    GLN   6           HN       GLN   6  45.581  -5.261  12.094
   36    HA   GLN   6           HA       GLN   6  43.426  -5.231  10.223
   37    HB2  GLN   6           HB2      GLN   6  43.496  -4.623  13.189
   38    HB3  GLN   6           HB1      GLN   6  42.022  -4.781  12.236
   39    HG2  GLN   6           HG2      GLN   6  42.700  -7.085  11.604
   40    HG3  GLN   6           HG1      GLN   6  44.136  -6.923  12.613
   41   HE21  GLN   6          HE21      GLN   6  42.914  -8.930  13.632
   42   HE22  GLN   6          HE22      GLN   6  41.839  -8.565  14.896
   43    H    ALA   7           HN       ALA   7  42.352  -3.589   9.317
   44    HA   ALA   7           HA       ALA   7  42.649  -0.870  10.369
   45    HB1  ALA   7           HB1      ALA   7  43.214  -1.555   7.473
   46    HB2  ALA   7           HB2      ALA   7  44.445  -1.151   8.670
   47    HB3  ALA   7           HB3      ALA   7  43.244   0.052   8.197
   48    H    VAL   8           HN       VAL   8  41.049   0.595   9.570
   49    HA   VAL   8           HA       VAL   8  38.717  -0.713   8.300
   50    HB   VAL   8           HB       VAL   8  38.808   1.154  10.669
   51   HG11  VAL   8          HG11      VAL   8  36.990   2.093   9.623
   52   HG12  VAL   8          HG12      VAL   8  36.178   0.696  10.337
   53   HG13  VAL   8          HG13      VAL   8  36.679   0.660   8.645
   54   HG21  VAL   8          HG21      VAL   8  37.652  -0.636  11.789
   55   HG22  VAL   8          HG22      VAL   8  39.023  -1.360  10.948
   56   HG23  VAL   8          HG23      VAL   8  37.403  -1.500  10.272
   57    H    ALA   9           HN       ALA   9  37.832   0.353   6.627
   58    HA   ALA   9           HA       ALA   9  39.162   2.634   5.523
   59    HB1  ALA   9           HB1      ALA   9  37.700   2.406   3.693
   60    HB2  ALA   9           HB2      ALA   9  36.424   1.703   4.684
   61    HB3  ALA   9           HB3      ALA   9  37.860   0.755   4.294
   62    H    PHE  10           HN       PHE  10  36.143   2.114   7.281
   63    HA   PHE  10           HA       PHE  10  36.073   4.984   7.821
   64    HB2  PHE  10           HB2      PHE  10  33.879   5.368   7.100
   65    HB3  PHE  10           HB1      PHE  10  34.629   4.460   5.798
   66    HD1  PHE  10           HD1      PHE  10  34.469   1.676   7.295
   67    HD2  PHE  10           HD2      PHE  10  31.627   4.814   6.552
   68    HE1  PHE  10           HE1      PHE  10  32.629   0.048   7.480
   69    HE2  PHE  10           HE2      PHE  10  29.784   3.170   6.724
   70    HZ   PHE  10           HZ       PHE  10  30.283   0.789   7.190
   71    H    GLN  11           HN       GLN  11  35.360   5.562   9.804
   72    HA   GLN  11           HA       GLN  11  34.095   3.464  11.473
   73    HB2  GLN  11           HB2      GLN  11  36.470   3.616  12.071
   74    HB3  GLN  11           HB1      GLN  11  36.288   5.341  12.363
   75    HG2  GLN  11           HG2      GLN  11  34.719   4.932  14.168
   76    HG3  GLN  11           HG1      GLN  11  34.700   3.205  13.808
   77   HE21  GLN  11          HE21      GLN  11  35.499   4.343  16.380
   78   HE22  GLN  11          HE22      GLN  11  37.135   3.944  16.609
   79    H    PHE  12           HN       PHE  12  32.422   4.068  12.685
   80    HA   PHE  12           HA       PHE  12  31.815   6.953  12.836
   81    HB2  PHE  12           HB2      PHE  12  30.303   6.090  11.249
   82    HB3  PHE  12           HB1      PHE  12  30.119   4.581  12.118
   83    HD1  PHE  12           HD1      PHE  12  29.971   7.881  13.846
   84    HD2  PHE  12           HD2      PHE  12  27.728   4.625  12.157
   85    HE1  PHE  12           HE1      PHE  12  27.927   8.694  14.981
   86    HE2  PHE  12           HE2      PHE  12  25.684   5.454  13.284
   87    HZ   PHE  12           HZ       PHE  12  25.785   7.487  14.697
   88    H    THR  13           HN       THR  13  31.740   7.601  14.929
   89    HA   THR  13           HA       THR  13  30.761   5.655  16.952
   90    HB   THR  13           HB       THR  13  32.758   7.654  17.823
   91    HG1  THR  13           HG1      THR  13  33.591   5.240  16.631
   92   HG21  THR  13          HG21      THR  13  33.371   5.873  19.332
   93   HG22  THR  13          HG22      THR  13  32.450   4.698  18.394
   94   HG23  THR  13          HG23      THR  13  31.609   5.959  19.297
   95    H    VAL  14           HN       VAL  14  29.258   6.321  18.279
   96    HA   VAL  14           HA       VAL  14  28.349   9.103  18.065
   97    HB   VAL  14           HB       VAL  14  27.044   6.615  19.174
   98   HG11  VAL  14          HG11      VAL  14  26.329   9.517  19.335
   99   HG12  VAL  14          HG12      VAL  14  26.076   8.234  20.520
  100   HG13  VAL  14          HG13      VAL  14  25.029   8.345  19.104
  101   HG21  VAL  14          HG21      VAL  14  26.428   8.378  16.784
  102   HG22  VAL  14          HG22      VAL  14  25.511   6.952  17.274
  103   HG23  VAL  14          HG23      VAL  14  27.173   6.781  16.715
  104    H    THR  15           HN       THR  15  28.702  10.555  19.659
  105    HA   THR  15           HA       THR  15  29.409   9.496  22.326
  106    HB   THR  15           HB       THR  15  30.741  11.712  22.461
  107    HG1  THR  15           HG1      THR  15  29.725  11.802  19.991
  108   HG21  THR  15          HG21      THR  15  32.691  10.638  21.421
  109   HG22  THR  15          HG22      THR  15  31.629   9.515  20.565
  110   HG23  THR  15          HG23      THR  15  31.750   9.447  22.323
  111    HA   PRO  16           HA       PRO  16  26.034  11.832  24.011
  112    HB2  PRO  16           HB2      PRO  16  27.937  13.175  25.862
  113    HB3  PRO  16           HB1      PRO  16  26.462  12.264  26.229
  114    HG2  PRO  16           HG2      PRO  16  28.944  11.290  26.640
  115    HG3  PRO  16           HG1      PRO  16  27.543  10.273  26.270
  116    HD2  PRO  16           HD2      PRO  16  29.865  10.937  24.561
  117    HD3  PRO  16           HD1      PRO  16  28.725   9.576  24.457
  118    H    ASP  17           HN       ASP  17  29.064  13.512  23.181
  119    HA   ASP  17           HA       ASP  17  27.747  16.084  23.066
  120    HB2  ASP  17           HB2      ASP  17  30.173  15.749  23.703
  121    HB3  ASP  17           HB1      ASP  17  30.486  15.390  22.005
  122    H    GLY  18           HN       GLY  18  28.109  13.409  20.840
  123    HA2  GLY  18           HA2      GLY  18  26.496  14.421  18.897
  124    HA3  GLY  18           HA1      GLY  18  28.067  15.099  18.482
  125    H    ILE  19           HN       ILE  19  28.548  13.973  16.654
  126    HA   ILE  19           HA       ILE  19  28.900  11.067  16.920
  127    HB   ILE  19           HB       ILE  19  28.180  10.951  14.500
  128   HG12  ILE  19          HG12      ILE  19  27.075  13.715  15.057
  129   HG13  ILE  19          HG11      ILE  19  28.533  13.424  14.113
  130   HG21  ILE  19          HG21      ILE  19  25.726  11.984  15.620
  131   HG22  ILE  19          HG22      ILE  19  26.602  11.081  16.852
  132   HG23  ILE  19          HG23      ILE  19  26.177  10.306  15.329
  133   HD11  ILE  19          HD11      ILE  19  27.363  12.406  12.363
  134   HD12  ILE  19          HD12      ILE  19  26.245  13.673  12.869
  135   HD13  ILE  19          HD13      ILE  19  25.982  12.008  13.383
  136    H    ASP  20           HN       ASP  20  30.587  10.259  15.678
  137    HA   ASP  20           HA       ASP  20  32.445  12.251  14.506
  138    HB2  ASP  20           HB2      ASP  20  33.177  11.494  16.786
  139    HB3  ASP  20           HB1      ASP  20  33.295   9.856  16.140
  140    H    LEU  21           HN       LEU  21  33.423  11.665  12.599
  141    HA   LEU  21           HA       LEU  21  33.051   8.892  11.701
  142    HB2  LEU  21           HB2      LEU  21  32.515  11.419  10.105
  143    HB3  LEU  21           HB1      LEU  21  32.603   9.806   9.397
  144    HG   LEU  21           HG       LEU  21  30.684  10.526  11.630
  145   HD11  LEU  21          HD11      LEU  21  28.965  10.750   9.898
  146   HD12  LEU  21          HD12      LEU  21  30.164  10.444   8.643
  147   HD13  LEU  21          HD13      LEU  21  30.257  11.912   9.611
  148   HD21  LEU  21          HD21      LEU  21  29.779   8.470   9.859
  149   HD22  LEU  21          HD22      LEU  21  30.181   8.342  11.568
  150   HD23  LEU  21          HD23      LEU  21  31.423   8.070  10.350
  151    H    ARG  22           HN       ARG  22  34.936   8.073  11.220
  152    HA   ARG  22           HA       ARG  22  37.110   9.866  10.283
  153    HB2  ARG  22           HB2      ARG  22  37.532   8.973  12.547
  154    HB3  ARG  22           HB1      ARG  22  37.416   7.337  11.908
  155    HG2  ARG  22           HG2      ARG  22  39.319   7.767  10.408
  156    HG3  ARG  22           HG1      ARG  22  39.422   9.424  11.002
  157    HD2  ARG  22           HD2      ARG  22  39.765   8.486  13.317
  158    HD3  ARG  22           HD1      ARG  22  39.859   6.881  12.594
  159    HE   ARG  22           HE       ARG  22  41.702   8.531  11.263
  160   HH11  ARG  22          HH21      ARG  22  41.099   7.197  14.401
  161   HH12  ARG  22          HH22      ARG  22  42.770   7.134  14.847
  162   HH21  ARG  22          HH11      ARG  22  43.905   8.449  11.853
  163   HH22  ARG  22          HH12      ARG  22  44.353   7.837  13.411
  164    H    LEU  23           HN       LEU  23  38.180   9.361   8.459
  165    HA   LEU  23           HA       LEU  23  37.747   6.690   7.317
  166    HB2  LEU  23           HB2      LEU  23  37.377   9.282   5.797
  167    HB3  LEU  23           HB1      LEU  23  37.287   7.657   5.120
  168    HG   LEU  23           HG       LEU  23  35.502   7.416   7.145
  169   HD11  LEU  23          HD11      LEU  23  35.942   9.941   7.567
  170   HD12  LEU  23          HD12      LEU  23  34.267   9.396   7.503
  171   HD13  LEU  23          HD13      LEU  23  34.987  10.201   6.109
  172   HD21  LEU  23          HD21      LEU  23  35.160   8.388   4.304
  173   HD22  LEU  23          HD22      LEU  23  33.771   8.039   5.333
  174   HD23  LEU  23          HD23      LEU  23  34.918   6.761   4.939
  175    H    SER  24           HN       SER  24  39.505   5.884   6.361
  176    HA   SER  24           HA       SER  24  42.016   7.268   6.593
  177    HB2  SER  24           HB2      SER  24  42.992   5.219   5.755
  178    HB3  SER  24           HB1      SER  24  41.733   4.804   6.915
  179    HG   SER  24           HG       SER  24  41.891   3.865   4.561
  180    H    HIS  25           HN       HIS  25  43.443   7.810   4.917
  181    HA   HIS  25           HA       HIS  25  42.372   9.149   2.692
  182    HB2  HIS  25           HB2      HIS  25  45.153   8.081   3.232
  183    HB3  HIS  25           HB1      HIS  25  44.754   9.095   1.843
  184    HD2  HIS  25           HD2      HIS  25  44.373  11.819   2.437
  185    HE1  HIS  25           HE1      HIS  25  45.021  11.510   6.597
  186    HE2  HIS  25           HE2      HIS  25  44.695  13.133   4.670
  187    H    GLU  26           HN       GLU  26  43.331   5.888   3.234
  188    HA   GLU  26           HA       GLU  26  43.508   5.012   0.532
  189    HB2  GLU  26           HB2      GLU  26  42.970   3.514   3.106
  190    HB3  GLU  26           HB1      GLU  26  43.208   2.728   1.544
  191    HG2  GLU  26           HG2      GLU  26  45.430   3.709   1.342
  192    HG3  GLU  26           HG1      GLU  26  45.196   4.622   2.831
  193    H    ALA  27           HN       ALA  27  40.896   5.206   2.884
  194    HA   ALA  27           HA       ALA  27  38.917   3.790   1.477
  195    HB1  ALA  27           HB1      ALA  27  38.802   4.571   3.885
  196    HB2  ALA  27           HB2      ALA  27  37.338   4.843   2.940
  197    HB3  ALA  27           HB3      ALA  27  38.440   6.182   3.264
  198    H    LEU  28           HN       LEU  28  40.057   7.075   1.296
  199    HA   LEU  28           HA       LEU  28  38.003   8.108  -0.385
  200    HB2  LEU  28           HB2      LEU  28  40.828   9.028   0.151
  201    HB3  LEU  28           HB1      LEU  28  39.714   9.917  -0.881
  202    HG   LEU  28           HG       LEU  28  39.098   9.144   1.987
  203   HD11  LEU  28          HD11      LEU  28  40.675  11.360   0.859
  204   HD12  LEU  28          HD12      LEU  28  40.624  10.739   2.508
  205   HD13  LEU  28          HD13      LEU  28  39.394  11.873   1.956
  206   HD21  LEU  28          HD21      LEU  28  37.659  11.422   1.220
  207   HD22  LEU  28          HD22      LEU  28  37.016   9.790   1.385
  208   HD23  LEU  28          HD23      LEU  28  37.571  10.365  -0.187
  209    H    ARG  29           HN       ARG  29  41.151   6.657  -1.021
  210    HA   ARG  29           HA       ARG  29  41.262   7.157  -3.778
  211    HB2  ARG  29           HB2      ARG  29  43.191   6.373  -2.461
  212    HB3  ARG  29           HB1      ARG  29  42.412   4.803  -2.263
  213    HG2  ARG  29           HG2      ARG  29  42.419   4.477  -4.705
  214    HG3  ARG  29           HG1      ARG  29  43.160   6.062  -4.921
  215    HD2  ARG  29           HD2      ARG  29  45.081   5.287  -3.521
  216    HD3  ARG  29           HD1      ARG  29  44.357   3.686  -3.476
  217    HE   ARG  29           HE       ARG  29  45.660   4.946  -5.762
  218   HH11  ARG  29          HH21      ARG  29  43.610   2.434  -4.540
  219   HH12  ARG  29          HH22      ARG  29  43.882   1.372  -5.877
  220   HH21  ARG  29          HH11      ARG  29  46.023   3.552  -7.516
  221   HH22  ARG  29          HH12      ARG  29  45.250   2.003  -7.562
  222    H    GLN  30           HN       GLN  30  39.810   4.425  -2.011
  223    HA   GLN  30           HA       GLN  30  39.138   2.967  -4.364
  224    HB2  GLN  30           HB2      GLN  30  38.030   2.888  -1.552
  225    HB3  GLN  30           HB1      GLN  30  37.517   1.784  -2.831
  226    HG2  GLN  30           HG2      GLN  30  39.876   1.068  -3.128
  227    HG3  GLN  30           HG1      GLN  30  40.349   2.128  -1.800
  228   HE21  GLN  30          HE21      GLN  30  41.062  -0.234  -1.018
  229   HE22  GLN  30          HE22      GLN  30  39.905  -1.054  -0.081
  230    H    ILE  31           HN       ILE  31  37.427   5.284  -2.338
  231    HA   ILE  31           HA       ILE  31  34.939   5.077  -3.610
  232    HB   ILE  31           HB       ILE  31  36.229   7.289  -2.025
  233   HG12  ILE  31          HG12      ILE  31  35.422   4.924  -1.127
  234   HG13  ILE  31          HG11      ILE  31  35.118   6.390  -0.198
  235   HG21  ILE  31          HG21      ILE  31  33.776   8.097  -1.857
  236   HG22  ILE  31          HG22      ILE  31  33.509   7.143  -3.316
  237   HG23  ILE  31          HG23      ILE  31  34.667   8.474  -3.333
  238   HD11  ILE  31          HD11      ILE  31  33.117   5.360  -2.217
  239   HD12  ILE  31          HD12      ILE  31  32.851   6.492  -0.893
  240   HD13  ILE  31          HD13      ILE  31  33.128   4.787  -0.551
  241    H    TYR  32           HN       TYR  32  37.626   7.378  -4.288
  242    HA   TYR  32           HA       TYR  32  36.206   8.849  -6.229
  243    HB2  TYR  32           HB2      TYR  32  38.282   9.664  -5.248
  244    HB3  TYR  32           HB1      TYR  32  39.175   8.331  -5.977
  245    HD1  TYR  32           HD2      TYR  32  37.001  11.248  -6.814
  246    HD2  TYR  32           HD1      TYR  32  40.021   8.512  -8.177
  247    HE1  TYR  32           HE2      TYR  32  37.258  12.569  -8.895
  248    HE2  TYR  32           HE1      TYR  32  40.275   9.835 -10.259
  249    HH   TYR  32           HH       TYR  32  38.708  11.456 -11.610
  250    H    LEU  33           HN       LEU  33  38.466   6.107  -6.619
  251    HA   LEU  33           HA       LEU  33  38.206   5.970  -9.428
  252    HB2  LEU  33           HB2      LEU  33  39.172   4.063  -7.318
  253    HB3  LEU  33           HB1      LEU  33  38.958   3.491  -8.970
  254    HG   LEU  33           HG       LEU  33  40.387   5.635  -9.592
  255   HD11  LEU  33          HD11      LEU  33  40.300   6.382  -7.136
  256   HD12  LEU  33          HD12      LEU  33  41.885   6.387  -7.909
  257   HD13  LEU  33          HD13      LEU  33  41.440   5.074  -6.817
  258   HD21  LEU  33          HD21      LEU  33  41.310   3.561 -10.142
  259   HD22  LEU  33          HD22      LEU  33  41.312   3.003  -8.470
  260   HD23  LEU  33          HD23      LEU  33  42.490   4.204  -9.002
  261    H    SER  34           HN       SER  34  36.366   4.284  -6.854
  262    HA   SER  34           HA       SER  34  34.908   2.599  -8.597
  263    HB2  SER  34           HB2      SER  34  33.340   2.326  -6.776
  264    HB3  SER  34           HB1      SER  34  34.966   2.373  -6.104
  265    HG   SER  34           HG       SER  34  34.550   4.257  -5.209
  266    H    GLY  35           HN       GLY  35  34.480   5.922  -7.589
  267    HA2  GLY  35           HA2      GLY  35  31.880   6.296  -8.708
  268    HA3  GLY  35           HA1      GLY  35  33.000   7.572  -8.230
  269    H    LEU  36           HN       LEU  36  35.170   6.723  -9.828
  270    HA   LEU  36           HA       LEU  36  34.682   8.111 -12.206
  271    HB2  LEU  36           HB2      LEU  36  36.917   7.806 -11.175
  272    HB3  LEU  36           HB1      LEU  36  36.870   6.106 -11.628
  273    HG   LEU  36           HG       LEU  36  36.662   6.774 -14.024
  274   HD11  LEU  36          HD11      LEU  36  35.826   8.883 -14.287
  275   HD12  LEU  36          HD12      LEU  36  37.522   9.349 -14.191
  276   HD13  LEU  36          HD13      LEU  36  36.500   9.453 -12.760
  277   HD21  LEU  36          HD21      LEU  36  38.896   6.536 -13.980
  278   HD22  LEU  36          HD22      LEU  36  38.940   7.054 -12.296
  279   HD23  LEU  36          HD23      LEU  36  39.049   8.248 -13.588
  280    H    HIS  37           HN       HIS  37  34.630   4.658 -11.471
  281    HA   HIS  37           HA       HIS  37  34.271   3.854 -14.213
  282    HB2  HIS  37           HB2      HIS  37  34.278   2.502 -11.550
  283    HB3  HIS  37           HB1      HIS  37  33.480   1.683 -12.892
  284    HD2  HIS  37           HD2      HIS  37  37.095   2.615 -11.735
  285    HE1  HIS  37           HE1      HIS  37  37.426   0.576 -15.417
  286    HE2  HIS  37           HE2      HIS  37  38.729   1.516 -13.449
  287    H    SER  38           HN       SER  38  32.276   4.836 -11.565
  288    HA   SER  38           HA       SER  38  29.782   3.753 -12.404
  289    HB2  SER  38           HB2      SER  38  30.125   6.353 -10.908
  290    HB3  SER  38           HB1      SER  38  28.794   5.203 -10.807
  291    HG   SER  38           HG       SER  38  31.478   4.614 -10.102
  292    H    TRP  39           HN       TRP  39  31.802   6.002 -13.881
  293    HA   TRP  39           HA       TRP  39  29.922   7.876 -14.878
  294    HB2  TRP  39           HB2      TRP  39  32.238   8.452 -14.932
  295    HB3  TRP  39           HB1      TRP  39  32.650   6.985 -15.817
  296    HD1  TRP  39           HD1      TRP  39  31.027  10.414 -16.275
  297    HE1  TRP  39           HE1      TRP  39  30.909  10.941 -18.798
  298    HE3  TRP  39           HE3      TRP  39  32.546   5.930 -18.183
  299    HZ2  TRP  39           HZ2      TRP  39  31.394   9.632 -21.292
  300    HZ3  TRP  39           HZ3      TRP  39  32.710   5.597 -20.634
  301    HH2  TRP  39           HH2      TRP  39  32.138   7.441 -22.189
  302    H    LYS  40           HN       LYS  40  31.089   4.760 -15.984
  303    HA   LYS  40           HA       LYS  40  29.825   4.872 -18.556
  304    HB2  LYS  40           HB2      LYS  40  31.791   3.451 -18.107
  305    HB3  LYS  40           HB1      LYS  40  30.840   2.507 -16.958
  306    HG2  LYS  40           HG2      LYS  40  29.302   1.837 -18.750
  307    HG3  LYS  40           HG1      LYS  40  30.193   2.830 -19.905
  308    HD2  LYS  40           HD2      LYS  40  32.214   1.464 -19.512
  309    HD3  LYS  40           HD1      LYS  40  31.311   0.464 -18.371
  310    HE2  LYS  40           HE2      LYS  40  29.755  -0.200 -20.142
  311    HE3  LYS  40           HE1      LYS  40  30.597   0.837 -21.293
  312    HZ1  LYS  40           HZ1      LYS  40  32.069  -1.237 -19.806
  313    HZ2  LYS  40           HZ2      LYS  40  32.440  -0.522 -21.303
  314    HZ3  LYS  40           HZ3      LYS  40  31.178  -1.654 -21.189
  315    H    LYS  41           HN       LYS  41  27.784   4.349 -19.091
  316    HA   LYS  41           HA       LYS  41  25.856   3.883 -17.021
  317    HB2  LYS  41           HB2      LYS  41  25.410   5.228 -19.082
  318    HB3  LYS  41           HB1      LYS  41  25.468   3.732 -20.017
  319    HG2  LYS  41           HG2      LYS  41  23.603   2.813 -18.720
  320    HG3  LYS  41           HG1      LYS  41  23.574   4.256 -17.706
  321    HD2  LYS  41           HD2      LYS  41  23.053   5.644 -19.673
  322    HD3  LYS  41           HD1      LYS  41  23.090   4.212 -20.702
  323    HE2  LYS  41           HE2      LYS  41  20.775   4.725 -20.142
  324    HE3  LYS  41           HE1      LYS  41  21.244   3.234 -19.319
  325    HZ1  LYS  41           HZ1      LYS  41  21.075   5.956 -18.154
  326    HZ2  LYS  41           HZ2      LYS  41  21.771   4.632 -17.350
  327    HZ3  LYS  41           HZ3      LYS  41  20.123   4.610 -17.761
  328    H    LYS  42           HN       LYS  42  24.793   2.044 -16.472
  329    HA   LYS  42           HA       LYS  42  24.384  -0.196 -16.213
  330    HB2  LYS  42           HB2      LYS  42  23.530   0.046 -18.545
  331    HB3  LYS  42           HB1      LYS  42  25.128  -0.398 -19.140
  332    HG2  LYS  42           HG2      LYS  42  24.987  -2.555 -17.967
  333    HG3  LYS  42           HG1      LYS  42  23.404  -2.111 -17.325
  334    HD2  LYS  42           HD2      LYS  42  22.525  -1.931 -19.627
  335    HD3  LYS  42           HD1      LYS  42  24.102  -2.404 -20.261
  336    HE2  LYS  42           HE2      LYS  42  23.939  -4.554 -19.046
  337    HE3  LYS  42           HE1      LYS  42  22.348  -4.082 -18.441
  338    HZ1  LYS  42           HZ1      LYS  42  22.877  -4.028 -21.333
  339    HZ2  LYS  42           HZ2      LYS  42  21.407  -4.253 -20.509
  340    HZ3  LYS  42           HZ3      LYS  42  22.546  -5.511 -20.577
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1  36.797  -6.852  21.201
    2    H2   MET   1           HT2      MET   1  36.472  -8.378  20.526
    3    H3   MET   1           HT3      MET   1  36.548  -7.005  19.530
    4    HA   MET   1           HA       MET   1  38.926  -6.741  20.187
    5    HB2  MET   1           HB2      MET   1  38.701  -8.155  22.247
    6    HB3  MET   1           HB1      MET   1  38.503  -9.567  21.212
    7    HG2  MET   1           HG2      MET   1  40.723  -9.123  20.195
    8    HG3  MET   1           HG1      MET   1  40.917  -7.729  21.253
    9    HE1  MET   1           HE1      MET   1  40.144 -11.260  20.837
   10    HE2  MET   1           HE2      MET   1  39.496 -11.557  22.448
   11    HE3  MET   1           HE3      MET   1  41.105 -12.139  22.033
   12    H    ALA   2           HN       ALA   2  36.781  -9.141  18.859
   13    HA   ALA   2           HA       ALA   2  38.607 -10.384  17.072
   14    HB1  ALA   2           HB1      ALA   2  36.453 -11.401  17.696
   15    HB2  ALA   2           HB2      ALA   2  36.620 -11.252  15.947
   16    HB3  ALA   2           HB3      ALA   2  35.603 -10.117  16.836
   17    H    GLU   3           HN       GLU   3  36.399  -7.624  16.704
   18    HA   GLU   3           HA       GLU   3  36.741  -7.279  13.935
   19    HB2  GLU   3           HB2      GLU   3  36.098  -5.295  16.117
   20    HB3  GLU   3           HB1      GLU   3  36.091  -4.890  14.402
   21    HG2  GLU   3           HG2      GLU   3  34.397  -6.577  13.961
   22    HG3  GLU   3           HG1      GLU   3  34.455  -7.116  15.640
   23    H    ALA   4           HN       ALA   4  38.829  -6.579  16.596
   24    HA   ALA   4           HA       ALA   4  40.371  -4.509  15.502
   25    HB1  ALA   4           HB1      ALA   4  41.542  -4.739  17.398
   26    HB2  ALA   4           HB2      ALA   4  41.974  -6.404  17.009
   27    HB3  ALA   4           HB3      ALA   4  40.446  -6.055  17.819
   28    H    HIS   5           HN       HIS   5  40.491  -8.012  14.987
   29    HA   HIS   5           HA       HIS   5  42.959  -7.993  13.560
   30    HB2  HIS   5           HB2      HIS   5  40.694  -9.999  13.604
   31    HB3  HIS   5           HB1      HIS   5  42.231 -10.252  12.775
   32    HD2  HIS   5           HD2      HIS   5  44.519 -10.436  14.546
   33    HE1  HIS   5           HE1      HIS   5  42.206 -10.940  18.041
   34    HE2  HIS   5           HE2      HIS   5  44.547 -11.086  17.071
   35    H    GLN   6           HN       GLN   6  39.577  -7.662  12.622
   36    HA   GLN   6           HA       GLN   6  39.977  -7.847   9.806
   37    HB2  GLN   6           HB2      GLN   6  37.778  -6.465  11.364
   38    HB3  GLN   6           HB1      GLN   6  37.723  -6.869   9.649
   39    HG2  GLN   6           HG2      GLN   6  38.054  -8.886  11.887
   40    HG3  GLN   6           HG1      GLN   6  36.538  -8.542  11.058
   41   HE21  GLN   6          HE21      GLN   6  38.834 -10.844  11.102
   42   HE22  GLN   6          HE22      GLN   6  38.861 -11.296   9.466
   43    H    ALA   7           HN       ALA   7  40.327  -6.265   8.272
   44    HA   ALA   7           HA       ALA   7  41.730  -3.915   9.064
   45    HB1  ALA   7           HB1      ALA   7  41.012  -3.429   6.467
   46    HB2  ALA   7           HB2      ALA   7  40.894  -5.187   6.539
   47    HB3  ALA   7           HB3      ALA   7  42.412  -4.389   6.948
   48    H    VAL   8           HN       VAL   8  41.060  -1.810   9.242
   49    HA   VAL   8           HA       VAL   8  38.173  -1.281   8.823
   50    HB   VAL   8           HB       VAL   8  39.954  -0.395  11.098
   51   HG11  VAL   8          HG11      VAL   8  37.436   0.469  11.710
   52   HG12  VAL   8          HG12      VAL   8  37.467   0.735   9.967
   53   HG13  VAL   8          HG13      VAL   8  38.684   1.491  10.997
   54   HG21  VAL   8          HG21      VAL   8  37.310  -1.640  11.546
   55   HG22  VAL   8          HG22      VAL   8  38.843  -1.926  12.370
   56   HG23  VAL   8          HG23      VAL   8  38.516  -2.700  10.819
   57    H    ALA   9           HN       ALA   9  37.757   0.361   7.500
   58    HA   ALA   9           HA       ALA   9  39.893   2.354   7.020
   59    HB1  ALA   9           HB1      ALA   9  39.792   1.760   4.866
   60    HB2  ALA   9           HB2      ALA   9  38.126   2.339   4.827
   61    HB3  ALA   9           HB3      ALA   9  38.464   0.647   5.196
   62    H    PHE  10           HN       PHE  10  36.632   1.770   7.911
   63    HA   PHE  10           HA       PHE  10  36.175   4.655   8.037
   64    HB2  PHE  10           HB2      PHE  10  33.671   3.867   7.496
   65    HB3  PHE  10           HB1      PHE  10  34.795   4.405   6.272
   66    HD1  PHE  10           HD1      PHE  10  35.114   1.060   7.936
   67    HD2  PHE  10           HD2      PHE  10  33.781   3.238   4.474
   68    HE1  PHE  10           HE1      PHE  10  34.885  -1.058   6.691
   69    HE2  PHE  10           HE2      PHE  10  33.538   1.107   3.237
   70    HZ   PHE  10           HZ       PHE  10  34.088  -1.040   4.341
   71    H    GLN  11           HN       GLN  11  35.456   5.358   9.954
   72    HA   GLN  11           HA       GLN  11  34.131   3.394  11.738
   73    HB2  GLN  11           HB2      GLN  11  36.451   5.199  12.386
   74    HB3  GLN  11           HB1      GLN  11  35.440   4.462  13.627
   75    HG2  GLN  11           HG2      GLN  11  35.969   2.232  12.779
   76    HG3  GLN  11           HG1      GLN  11  36.904   2.934  11.460
   77   HE21  GLN  11          HE21      GLN  11  37.233   1.592  14.526
   78   HE22  GLN  11          HE22      GLN  11  38.731   2.270  14.945
   79    H    PHE  12           HN       PHE  12  32.390   4.060  12.767
   80    HA   PHE  12           HA       PHE  12  31.819   6.959  12.834
   81    HB2  PHE  12           HB2      PHE  12  30.355   6.137  11.202
   82    HB3  PHE  12           HB1      PHE  12  30.140   4.601  12.023
   83    HD1  PHE  12           HD1      PHE  12  29.914   7.891  13.766
   84    HD2  PHE  12           HD2      PHE  12  27.745   4.620  12.010
   85    HE1  PHE  12           HE1      PHE  12  27.830   8.682  14.842
   86    HE2  PHE  12           HE2      PHE  12  25.661   5.427  13.076
   87    HZ   PHE  12           HZ       PHE  12  25.704   7.464  14.496
   88    H    THR  13           HN       THR  13  31.684   7.622  14.923
   89    HA   THR  13           HA       THR  13  30.619   5.699  16.918
   90    HB   THR  13           HB       THR  13  32.648   7.649  17.826
   91    HG1  THR  13           HG1      THR  13  33.753   6.870  16.104
   92   HG21  THR  13          HG21      THR  13  33.090   5.980  19.442
   93   HG22  THR  13          HG22      THR  13  32.380   4.713  18.444
   94   HG23  THR  13          HG23      THR  13  31.343   5.916  19.212
   95    H    VAL  14           HN       VAL  14  29.116   6.362  18.224
   96    HA   VAL  14           HA       VAL  14  28.242   9.154  18.058
   97    HB   VAL  14           HB       VAL  14  26.874   6.708  19.201
   98   HG11  VAL  14          HG11      VAL  14  26.092   9.607  18.957
   99   HG12  VAL  14          HG12      VAL  14  25.972   8.551  20.364
  100   HG13  VAL  14          HG13      VAL  14  24.865   8.341  19.006
  101   HG21  VAL  14          HG21      VAL  14  25.981   8.231  16.770
  102   HG22  VAL  14          HG22      VAL  14  25.686   6.548  17.203
  103   HG23  VAL  14          HG23      VAL  14  27.272   7.041  16.623
  104    H    THR  15           HN       THR  15  28.643  10.567  19.717
  105    HA   THR  15           HA       THR  15  29.209   9.399  22.377
  106    HB   THR  15           HB       THR  15  30.647  11.660  22.494
  107    HG1  THR  15           HG1      THR  15  31.725  11.316  20.202
  108   HG21  THR  15          HG21      THR  15  31.424   8.949  21.412
  109   HG22  THR  15          HG22      THR  15  31.666   9.587  23.040
  110   HG23  THR  15          HG23      THR  15  32.619  10.214  21.697
  111    HA   PRO  16           HA       PRO  16  26.034  11.982  24.062
  112    HB2  PRO  16           HB2      PRO  16  28.085  13.221  25.848
  113    HB3  PRO  16           HB1      PRO  16  26.528  12.479  26.263
  114    HG2  PRO  16           HG2      PRO  16  28.891  11.252  26.673
  115    HG3  PRO  16           HG1      PRO  16  27.388  10.383  26.332
  116    HD2  PRO  16           HD2      PRO  16  29.756  10.740  24.602
  117    HD3  PRO  16           HD1      PRO  16  28.458   9.531  24.518
  118    H    ASP  17           HN       ASP  17  29.197  13.523  23.410
  119    HA   ASP  17           HA       ASP  17  28.179  16.164  23.164
  120    HB2  ASP  17           HB2      ASP  17  30.383  16.651  22.176
  121    HB3  ASP  17           HB1      ASP  17  30.521  15.748  23.681
  122    H    GLY  18           HN       GLY  18  28.300  13.434  20.945
  123    HA2  GLY  18           HA2      GLY  18  26.596  14.412  19.092
  124    HA3  GLY  18           HA1      GLY  18  28.126  15.124  18.593
  125    H    ILE  19           HN       ILE  19  28.666  13.993  16.780
  126    HA   ILE  19           HA       ILE  19  29.009  11.095  17.074
  127    HB   ILE  19           HB       ILE  19  28.339  10.931  14.655
  128   HG12  ILE  19          HG12      ILE  19  27.236  13.700  15.166
  129   HG13  ILE  19          HG11      ILE  19  28.641  13.347  14.157
  130   HG21  ILE  19          HG21      ILE  19  26.109  12.012  16.388
  131   HG22  ILE  19          HG22      ILE  19  26.812  10.415  16.636
  132   HG23  ILE  19          HG23      ILE  19  25.993  10.790  15.121
  133   HD11  ILE  19          HD11      ILE  19  25.878  13.258  13.427
  134   HD12  ILE  19          HD12      ILE  19  26.526  11.621  13.331
  135   HD13  ILE  19          HD13      ILE  19  27.283  12.924  12.416
  136    H    ASP  20           HN       ASP  20  30.677  10.263  15.850
  137    HA   ASP  20           HA       ASP  20  32.587  12.223  14.707
  138    HB2  ASP  20           HB2      ASP  20  33.159   9.829  16.466
  139    HB3  ASP  20           HB1      ASP  20  34.401  10.687  15.552
  140    H    LEU  21           HN       LEU  21  33.525  11.661  12.736
  141    HA   LEU  21           HA       LEU  21  33.001   8.940  11.738
  142    HB2  LEU  21           HB2      LEU  21  32.488  11.557  10.281
  143    HB3  LEU  21           HB1      LEU  21  32.541   9.990   9.481
  144    HG   LEU  21           HG       LEU  21  30.679  10.537  11.804
  145   HD11  LEU  21          HD11      LEU  21  30.115  10.839   8.836
  146   HD12  LEU  21          HD12      LEU  21  30.219  12.166   9.992
  147   HD13  LEU  21          HD13      LEU  21  28.922  10.978  10.129
  148   HD21  LEU  21          HD21      LEU  21  29.976   8.420  11.440
  149   HD22  LEU  21          HD22      LEU  21  31.346   8.212  10.352
  150   HD23  LEU  21          HD23      LEU  21  29.788   8.724   9.715
  151    H    ARG  22           HN       ARG  22  34.870   8.072  11.195
  152    HA   ARG  22           HA       ARG  22  37.052   9.848  10.240
  153    HB2  ARG  22           HB2      ARG  22  37.222   7.313  11.870
  154    HB3  ARG  22           HB1      ARG  22  38.612   8.104  11.136
  155    HG2  ARG  22           HG2      ARG  22  38.072  10.175  12.391
  156    HG3  ARG  22           HG1      ARG  22  36.723   9.336  13.157
  157    HD2  ARG  22           HD2      ARG  22  38.260   7.696  14.126
  158    HD3  ARG  22           HD1      ARG  22  39.623   8.479  13.329
  159    HE   ARG  22           HE       ARG  22  38.108  10.266  15.018
  160   HH11  ARG  22          HH21      ARG  22  40.603   7.868  14.845
  161   HH12  ARG  22          HH22      ARG  22  41.434   8.433  16.256
  162   HH21  ARG  22          HH11      ARG  22  39.192  11.011  16.863
  163   HH22  ARG  22          HH12      ARG  22  40.634  10.217  17.398
  164    H    LEU  23           HN       LEU  23  38.030   9.391   8.351
  165    HA   LEU  23           HA       LEU  23  37.450   6.779   7.109
  166    HB2  LEU  23           HB2      LEU  23  37.276   9.497   5.764
  167    HB3  LEU  23           HB1      LEU  23  37.149   7.944   4.943
  168    HG   LEU  23           HG       LEU  23  35.285   8.862   7.163
  169   HD11  LEU  23          HD11      LEU  23  33.998   8.566   4.619
  170   HD12  LEU  23          HD12      LEU  23  35.374   9.651   4.423
  171   HD13  LEU  23          HD13      LEU  23  34.127  10.014   5.616
  172   HD21  LEU  23          HD21      LEU  23  35.100   6.546   7.147
  173   HD22  LEU  23          HD22      LEU  23  35.518   6.418   5.441
  174   HD23  LEU  23          HD23      LEU  23  33.913   6.968   5.918
  175    H    SER  24           HN       SER  24  39.222   5.910   6.226
  176    HA   SER  24           HA       SER  24  41.772   7.205   6.515
  177    HB2  SER  24           HB2      SER  24  42.594   5.096   5.350
  178    HB3  SER  24           HB1      SER  24  41.738   4.850   6.869
  179    HG   SER  24           HG       SER  24  40.341   3.736   5.786
  180    H    HIS  25           HN       HIS  25  43.218   7.777   4.883
  181    HA   HIS  25           HA       HIS  25  42.181   9.147   2.668
  182    HB2  HIS  25           HB2      HIS  25  44.973   8.050   3.122
  183    HB3  HIS  25           HB1      HIS  25  44.538   9.196   1.853
  184    HD2  HIS  25           HD2      HIS  25  45.522   9.248   5.569
  185    HE1  HIS  25           HE1      HIS  25  43.958  13.070   4.698
  186    HE2  HIS  25           HE2      HIS  25  45.208  11.695   6.425
  187    H    GLU  26           HN       GLU  26  43.081   5.877   3.184
  188    HA   GLU  26           HA       GLU  26  43.271   5.018   0.475
  189    HB2  GLU  26           HB2      GLU  26  42.678   3.525   3.039
  190    HB3  GLU  26           HB1      GLU  26  42.877   2.729   1.476
  191    HG2  GLU  26           HG2      GLU  26  45.141   3.617   1.270
  192    HG3  GLU  26           HG1      GLU  26  44.948   4.530   2.766
  193    H    ALA  27           HN       ALA  27  40.644   5.248   2.821
  194    HA   ALA  27           HA       ALA  27  38.654   3.893   1.366
  195    HB1  ALA  27           HB1      ALA  27  38.769   5.067   3.828
  196    HB2  ALA  27           HB2      ALA  27  37.283   4.516   3.056
  197    HB3  ALA  27           HB3      ALA  27  37.756   6.212   2.948
  198    H    LEU  28           HN       LEU  28  39.930   7.098   1.207
  199    HA   LEU  28           HA       LEU  28  37.898   8.229  -0.471
  200    HB2  LEU  28           HB2      LEU  28  40.719   9.081   0.159
  201    HB3  LEU  28           HB1      LEU  28  39.629  10.023  -0.852
  202    HG   LEU  28           HG       LEU  28  38.937   9.116   1.957
  203   HD11  LEU  28          HD11      LEU  28  40.702  11.231   1.073
  204   HD12  LEU  28          HD12      LEU  28  40.317  10.717   2.715
  205   HD13  LEU  28          HD13      LEU  28  39.298  11.903   1.899
  206   HD21  LEU  28          HD21      LEU  28  37.601  10.785  -0.143
  207   HD22  LEU  28          HD22      LEU  28  37.423  11.292   1.534
  208   HD23  LEU  28          HD23      LEU  28  36.892   9.687   1.040
  209    H    ARG  29           HN       ARG  29  41.034   6.714  -1.050
  210    HA   ARG  29           HA       ARG  29  41.197   7.256  -3.809
  211    HB2  ARG  29           HB2      ARG  29  43.115   6.479  -2.453
  212    HB3  ARG  29           HB1      ARG  29  42.346   4.903  -2.279
  213    HG2  ARG  29           HG2      ARG  29  42.408   4.603  -4.731
  214    HG3  ARG  29           HG1      ARG  29  43.184   6.179  -4.900
  215    HD2  ARG  29           HD2      ARG  29  44.333   3.897  -3.271
  216    HD3  ARG  29           HD1      ARG  29  44.792   4.242  -4.935
  217    HE   ARG  29           HE       ARG  29  45.542   5.762  -2.575
  218   HH11  ARG  29          HH21      ARG  29  45.152   5.683  -6.009
  219   HH12  ARG  29          HH22      ARG  29  46.340   6.910  -6.311
  220   HH21  ARG  29          HH11      ARG  29  47.100   7.360  -2.955
  221   HH22  ARG  29          HH12      ARG  29  47.437   7.870  -4.577
  222    H    GLN  30           HN       GLN  30  39.678   4.548  -2.063
  223    HA   GLN  30           HA       GLN  30  39.030   3.072  -4.416
  224    HB2  GLN  30           HB2      GLN  30  37.889   3.038  -1.620
  225    HB3  GLN  30           HB1      GLN  30  37.392   1.912  -2.886
  226    HG2  GLN  30           HG2      GLN  30  39.734   1.164  -3.134
  227    HG3  GLN  30           HG1      GLN  30  40.225   2.281  -1.862
  228   HE21  GLN  30          HE21      GLN  30  40.925  -0.072  -1.019
  229   HE22  GLN  30          HE22      GLN  30  39.780  -0.834  -0.025
  230    H    ILE  31           HN       ILE  31  37.259   5.416  -2.423
  231    HA   ILE  31           HA       ILE  31  34.800   5.212  -3.760
  232    HB   ILE  31           HB       ILE  31  36.045   7.454  -2.179
  233   HG12  ILE  31          HG12      ILE  31  33.687   5.685  -1.512
  234   HG13  ILE  31          HG11      ILE  31  35.339   5.201  -1.134
  235   HG21  ILE  31          HG21      ILE  31  33.509   8.156  -2.101
  236   HG22  ILE  31          HG22      ILE  31  33.414   7.272  -3.624
  237   HG23  ILE  31          HG23      ILE  31  34.506   8.649  -3.470
  238   HD11  ILE  31          HD11      ILE  31  33.662   6.839   0.421
  239   HD12  ILE  31          HD12      ILE  31  34.849   7.937  -0.277
  240   HD13  ILE  31          HD13      ILE  31  35.380   6.548   0.673
  241    H    TYR  32           HN       TYR  32  37.520   7.502  -4.400
  242    HA   TYR  32           HA       TYR  32  36.137   8.933  -6.403
  243    HB2  TYR  32           HB2      TYR  32  38.157   9.826  -5.439
  244    HB3  TYR  32           HB1      TYR  32  39.097   8.450  -6.013
  245    HD1  TYR  32           HD2      TYR  32  37.030  11.338  -7.152
  246    HD2  TYR  32           HD1      TYR  32  40.005   8.424  -8.206
  247    HE1  TYR  32           HE2      TYR  32  37.422  12.513  -9.299
  248    HE2  TYR  32           HE1      TYR  32  40.403   9.601 -10.357
  249    HH   TYR  32           HH       TYR  32  39.636  11.198 -11.739
  250    H    LEU  33           HN       LEU  33  38.363   6.165  -6.640
  251    HA   LEU  33           HA       LEU  33  38.247   5.921  -9.450
  252    HB2  LEU  33           HB2      LEU  33  38.781   3.863  -7.304
  253    HB3  LEU  33           HB1      LEU  33  39.019   3.573  -9.025
  254    HG   LEU  33           HG       LEU  33  40.366   5.785  -7.443
  255   HD11  LEU  33          HD11      LEU  33  41.122   3.544  -6.754
  256   HD12  LEU  33          HD12      LEU  33  42.392   4.387  -7.644
  257   HD13  LEU  33          HD13      LEU  33  41.443   3.133  -8.438
  258   HD21  LEU  33          HD21      LEU  33  40.531   6.583  -9.593
  259   HD22  LEU  33          HD22      LEU  33  40.312   4.989 -10.319
  260   HD23  LEU  33          HD23      LEU  33  41.878   5.448  -9.653
  261    H    SER  34           HN       SER  34  36.293   4.403  -6.882
  262    HA   SER  34           HA       SER  34  34.801   2.660  -8.484
  263    HB2  SER  34           HB2      SER  34  34.613   2.407  -6.131
  264    HB3  SER  34           HB1      SER  34  34.177   4.100  -5.910
  265    HG   SER  34           HG       SER  34  32.225   3.687  -6.954
  266    H    GLY  35           HN       GLY  35  34.319   6.061  -7.700
  267    HA2  GLY  35           HA2      GLY  35  31.801   6.278  -9.038
  268    HA3  GLY  35           HA1      GLY  35  32.821   7.620  -8.524
  269    H    LEU  36           HN       LEU  36  35.163   6.743  -9.918
  270    HA   LEU  36           HA       LEU  36  34.824   8.053 -12.354
  271    HB2  LEU  36           HB2      LEU  36  37.006   7.806 -11.230
  272    HB3  LEU  36           HB1      LEU  36  36.990   6.081 -11.586
  273    HG   LEU  36           HG       LEU  36  36.904   6.610 -14.024
  274   HD11  LEU  36          HD11      LEU  36  35.943   8.719 -14.266
  275   HD12  LEU  36          HD12      LEU  36  37.652   9.094 -14.474
  276   HD13  LEU  36          HD13      LEU  36  36.863   9.406 -12.927
  277   HD21  LEU  36          HD21      LEU  36  39.069   6.226 -12.884
  278   HD22  LEU  36          HD22      LEU  36  39.184   7.954 -12.545
  279   HD23  LEU  36          HD23      LEU  36  39.225   7.377 -14.210
  280    H    HIS  37           HN       HIS  37  34.785   4.591 -11.581
  281    HA   HIS  37           HA       HIS  37  34.514   3.769 -14.328
  282    HB2  HIS  37           HB2      HIS  37  34.059   2.295 -11.720
  283    HB3  HIS  37           HB1      HIS  37  33.978   1.544 -13.314
  284    HD2  HIS  37           HD2      HIS  37  36.612   2.320 -10.671
  285    HE1  HIS  37           HE1      HIS  37  38.754   1.732 -14.262
  286    HE2  HIS  37           HE2      HIS  37  38.968   1.992 -11.745
  287    H    SER  38           HN       SER  38  32.428   4.664 -11.715
  288    HA   SER  38           HA       SER  38  29.968   3.601 -12.650
  289    HB2  SER  38           HB2      SER  38  30.313   6.127 -11.035
  290    HB3  SER  38           HB1      SER  38  28.936   5.031 -11.038
  291    HG   SER  38           HG       SER  38  31.542   4.182 -10.339
  292    H    TRP  39           HN       TRP  39  31.966   5.912 -14.048
  293    HA   TRP  39           HA       TRP  39  30.058   7.807 -14.963
  294    HB2  TRP  39           HB2      TRP  39  32.351   8.440 -14.987
  295    HB3  TRP  39           HB1      TRP  39  32.807   7.014 -15.918
  296    HD1  TRP  39           HD1      TRP  39  32.707   7.169 -18.474
  297    HE1  TRP  39           HE1      TRP  39  31.973   8.981 -20.158
  298    HE3  TRP  39           HE3      TRP  39  30.534  10.512 -15.280
  299    HZ2  TRP  39           HZ2      TRP  39  30.642  11.514 -20.150
  300    HZ3  TRP  39           HZ3      TRP  39  29.545  12.611 -16.140
  301    HH2  TRP  39           HH2      TRP  39  29.593  13.119 -18.568
  302    H    LYS  40           HN       LYS  40  31.265   4.754 -16.207
  303    HA   LYS  40           HA       LYS  40  30.125   4.970 -18.800
  304    HB2  LYS  40           HB2      LYS  40  31.961   3.422 -18.288
  305    HB3  LYS  40           HB1      LYS  40  30.901   2.510 -17.210
  306    HG2  LYS  40           HG2      LYS  40  29.422   1.957 -19.082
  307    HG3  LYS  40           HG1      LYS  40  30.397   2.941 -20.170
  308    HD2  LYS  40           HD2      LYS  40  32.331   1.454 -19.780
  309    HD3  LYS  40           HD1      LYS  40  31.346   0.464 -18.697
  310    HE2  LYS  40           HE2      LYS  40  29.777  -0.001 -20.546
  311    HE3  LYS  40           HE1      LYS  40  30.756   0.986 -21.627
  312    HZ1  LYS  40           HZ1      LYS  40  31.420  -1.609 -20.390
  313    HZ2  LYS  40           HZ2      LYS  40  32.640  -0.575 -20.963
  314    HZ3  LYS  40           HZ3      LYS  40  31.458  -1.170 -22.026
  315    H    LYS  41           HN       LYS  41  28.115   4.566 -19.526
  316    HA   LYS  41           HA       LYS  41  26.044   3.942 -17.568
  317    HB2  LYS  41           HB2      LYS  41  25.940   4.818 -20.462
  318    HB3  LYS  41           HB1      LYS  41  24.502   4.382 -19.539
  319    HG2  LYS  41           HG2      LYS  41  25.053   6.107 -17.861
  320    HG3  LYS  41           HG1      LYS  41  26.489   6.546 -18.785
  321    HD2  LYS  41           HD2      LYS  41  25.050   7.143 -20.716
  322    HD3  LYS  41           HD1      LYS  41  23.622   6.741 -19.764
  323    HE2  LYS  41           HE2      LYS  41  25.657   8.888 -19.088
  324    HE3  LYS  41           HE1      LYS  41  24.029   9.167 -19.710
  325    HZ1  LYS  41           HZ1      LYS  41  23.824   7.478 -17.499
  326    HZ2  LYS  41           HZ2      LYS  41  23.274   9.079 -17.647
  327    HZ3  LYS  41           HZ3      LYS  41  24.831   8.764 -17.050
  328    H    LYS  42           HN       LYS  42  24.670   2.168 -17.667
  329    HA   LYS  42           HA       LYS  42  25.602  -0.053 -19.392
  330    HB2  LYS  42           HB2      LYS  42  24.894  -1.573 -17.598
  331    HB3  LYS  42           HB1      LYS  42  26.090  -0.420 -17.012
  332    HG2  LYS  42           HG2      LYS  42  24.303   0.976 -16.065
  333    HG3  LYS  42           HG1      LYS  42  23.088  -0.155 -16.658
  334    HD2  LYS  42           HD2      LYS  42  24.055  -1.943 -15.270
  335    HD3  LYS  42           HD1      LYS  42  25.281  -0.822 -14.676
  336    HE2  LYS  42           HE2      LYS  42  23.607  -0.791 -13.000
  337    HE3  LYS  42           HE1      LYS  42  23.302   0.665 -13.949
  338    HZ1  LYS  42           HZ1      LYS  42  21.968  -1.919 -14.501
  339    HZ2  LYS  42           HZ2      LYS  42  21.556  -0.382 -15.100
  340    HZ3  LYS  42           HZ3      LYS  42  21.310  -0.754 -13.460
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1  45.062  -1.964  15.171
    2    H2   MET   1           HT2      MET   1  43.485  -1.711  15.747
    3    H3   MET   1           HT3      MET   1  44.271  -3.190  16.035
    4    HA   MET   1           HA       MET   1  44.159  -1.151  17.784
    5    HB2  MET   1           HB2      MET   1  46.237  -3.328  17.432
    6    HB3  MET   1           HB1      MET   1  46.073  -2.362  18.898
    7    HG2  MET   1           HG2      MET   1  43.713  -3.111  19.103
    8    HG3  MET   1           HG1      MET   1  43.928  -4.127  17.678
    9    HE1  MET   1           HE1      MET   1  45.305  -5.979  17.391
   10    HE2  MET   1           HE2      MET   1  46.107  -6.959  18.616
   11    HE3  MET   1           HE3      MET   1  46.883  -5.493  18.028
   12    H    ALA   2           HN       ALA   2  47.089  -1.950  15.892
   13    HA   ALA   2           HA       ALA   2  48.536   0.345  16.726
   14    HB1  ALA   2           HB1      ALA   2  49.111  -1.968  15.307
   15    HB2  ALA   2           HB2      ALA   2  50.226  -0.635  15.610
   16    HB3  ALA   2           HB3      ALA   2  49.303  -0.689  14.108
   17    H    GLU   3           HN       GLU   3  48.803   2.332  15.804
   18    HA   GLU   3           HA       GLU   3  46.697   3.358  14.186
   19    HB2  GLU   3           HB2      GLU   3  49.363   4.523  15.008
   20    HB3  GLU   3           HB1      GLU   3  48.137   5.422  14.115
   21    HG2  GLU   3           HG2      GLU   3  46.523   5.072  15.919
   22    HG3  GLU   3           HG1      GLU   3  47.692   4.093  16.803
   23    H    ALA   4           HN       ALA   4  49.993   2.306  13.530
   24    HA   ALA   4           HA       ALA   4  50.221   3.305  10.905
   25    HB1  ALA   4           HB1      ALA   4  51.498   0.741  11.836
   26    HB2  ALA   4           HB2      ALA   4  52.044   2.311  12.425
   27    HB3  ALA   4           HB3      ALA   4  52.129   1.937  10.704
   28    H    HIS   5           HN       HIS   5  48.862   0.305  12.183
   29    HA   HIS   5           HA       HIS   5  48.027  -0.435   9.443
   30    HB2  HIS   5           HB2      HIS   5  48.677  -2.073  11.880
   31    HB3  HIS   5           HB1      HIS   5  47.654  -2.728  10.599
   32    HD2  HIS   5           HD2      HIS   5  49.048  -3.552   8.314
   33    HE1  HIS   5           HE1      HIS   5  52.834  -2.049   9.426
   34    HE2  HIS   5           HE2      HIS   5  51.586  -3.439   7.706
   35    H    GLN   6           HN       GLN   6  45.930  -0.366   8.966
   36    HA   GLN   6           HA       GLN   6  43.975  -0.260  11.191
   37    HB2  GLN   6           HB2      GLN   6  43.898   1.185   8.529
   38    HB3  GLN   6           HB1      GLN   6  42.591   1.180   9.711
   39    HG2  GLN   6           HG2      GLN   6  45.405   2.161  10.268
   40    HG3  GLN   6           HG1      GLN   6  44.040   3.206   9.882
   41   HE21  GLN   6          HE21      GLN   6  45.768   2.267  12.488
   42   HE22  GLN   6          HE22      GLN   6  44.552   2.257  13.673
   43    H    ALA   7           HN       ALA   7  42.618  -1.910  11.224
   44    HA   ALA   7           HA       ALA   7  42.442  -3.756   9.010
   45    HB1  ALA   7           HB1      ALA   7  40.935  -5.019  10.491
   46    HB2  ALA   7           HB2      ALA   7  40.937  -3.676  11.635
   47    HB3  ALA   7           HB3      ALA   7  42.424  -4.572  11.326
   48    H    VAL   8           HN       VAL   8  40.901  -0.885   9.815
   49    HA   VAL   8           HA       VAL   8  38.635  -1.526   8.027
   50    HB   VAL   8           HB       VAL   8  37.207  -0.068   9.415
   51   HG11  VAL   8          HG11      VAL   8  38.110  -1.830  11.544
   52   HG12  VAL   8          HG12      VAL   8  38.085  -2.669   9.992
   53   HG13  VAL   8          HG13      VAL   8  36.621  -1.895  10.601
   54   HG21  VAL   8          HG21      VAL   8  38.612   1.444  10.507
   55   HG22  VAL   8          HG22      VAL   8  39.780   0.203  10.947
   56   HG23  VAL   8          HG23      VAL   8  38.248   0.313  11.809
   57    H    ALA   9           HN       ALA   9  37.707   0.377   6.967
   58    HA   ALA   9           HA       ALA   9  39.770   2.438   6.475
   59    HB1  ALA   9           HB1      ALA   9  38.492   0.741   4.681
   60    HB2  ALA   9           HB2      ALA   9  39.405   2.194   4.275
   61    HB3  ALA   9           HB3      ALA   9  37.657   2.282   4.484
   62    H    PHE  10           HN       PHE  10  36.507   1.879   7.514
   63    HA   PHE  10           HA       PHE  10  36.146   4.788   7.777
   64    HB2  PHE  10           HB2      PHE  10  34.818   4.271   5.889
   65    HB3  PHE  10           HB1      PHE  10  34.236   2.776   6.606
   66    HD1  PHE  10           HD1      PHE  10  34.405   6.009   8.490
   67    HD2  PHE  10           HD2      PHE  10  31.906   3.247   6.341
   68    HE1  PHE  10           HE1      PHE  10  32.397   7.137   9.375
   69    HE2  PHE  10           HE2      PHE  10  29.896   4.396   7.218
   70    HZ   PHE  10           HZ       PHE  10  30.141   6.339   8.734
   71    H    GLN  11           HN       GLN  11  35.535   5.379   9.796
   72    HA   GLN  11           HA       GLN  11  34.243   3.344  11.519
   73    HB2  GLN  11           HB2      GLN  11  36.481   5.215  12.324
   74    HB3  GLN  11           HB1      GLN  11  35.583   4.177  13.429
   75    HG2  GLN  11           HG2      GLN  11  37.148   3.182  11.032
   76    HG3  GLN  11           HG1      GLN  11  37.748   3.167  12.690
   77   HE21  GLN  11          HE21      GLN  11  36.319   1.177  10.438
   78   HE22  GLN  11          HE22      GLN  11  35.525   0.102  11.484
   79    H    PHE  12           HN       PHE  12  32.509   3.992  12.633
   80    HA   PHE  12           HA       PHE  12  31.961   6.894  12.752
   81    HB2  PHE  12           HB2      PHE  12  30.478   6.119  11.124
   82    HB3  PHE  12           HB1      PHE  12  30.238   4.577  11.926
   83    HD1  PHE  12           HD1      PHE  12  30.077   7.859  13.693
   84    HD2  PHE  12           HD2      PHE  12  27.853   4.630  11.941
   85    HE1  PHE  12           HE1      PHE  12  28.023   8.664  14.808
   86    HE2  PHE  12           HE2      PHE  12  25.792   5.458  13.039
   87    HZ   PHE  12           HZ       PHE  12  25.879   7.476  14.474
   88    H    THR  13           HN       THR  13  31.764   7.577  14.818
   89    HA   THR  13           HA       THR  13  30.753   5.661  16.846
   90    HB   THR  13           HB       THR  13  32.671   7.739  17.710
   91    HG1  THR  13           HG1      THR  13  33.692   6.881  15.885
   92   HG21  THR  13          HG21      THR  13  31.468   6.017  19.162
   93   HG22  THR  13          HG22      THR  13  33.217   6.116  19.356
   94   HG23  THR  13          HG23      THR  13  32.509   4.809  18.407
   95    H    VAL  14           HN       VAL  14  29.194   6.332  18.115
   96    HA   VAL  14           HA       VAL  14  28.273   9.106  17.857
   97    HB   VAL  14           HB       VAL  14  26.623   7.331  17.438
   98   HG11  VAL  14          HG11      VAL  14  26.633   6.550  20.318
   99   HG12  VAL  14          HG12      VAL  14  27.898   5.874  19.294
  100   HG13  VAL  14          HG13      VAL  14  26.203   5.597  18.899
  101   HG21  VAL  14          HG21      VAL  14  24.900   8.340  18.650
  102   HG22  VAL  14          HG22      VAL  14  26.158   9.572  18.753
  103   HG23  VAL  14          HG23      VAL  14  25.877   8.482  20.110
  104    H    THR  15           HN       THR  15  28.642  10.563  19.459
  105    HA   THR  15           HA       THR  15  29.234   9.488  22.149
  106    HB   THR  15           HB       THR  15  30.535  11.844  22.196
  107    HG1  THR  15           HG1      THR  15  31.671  11.486  19.960
  108   HG21  THR  15          HG21      THR  15  31.600   9.810  22.849
  109   HG22  THR  15          HG22      THR  15  32.589  10.474  21.549
  110   HG23  THR  15          HG23      THR  15  31.478   9.144  21.219
  111    HA   PRO  16           HA       PRO  16  25.970  11.972  23.788
  112    HB2  PRO  16           HB2      PRO  16  27.932  13.372  25.537
  113    HB3  PRO  16           HB1      PRO  16  26.449  12.506  25.977
  114    HG2  PRO  16           HG2      PRO  16  28.924  11.509  26.383
  115    HG3  PRO  16           HG1      PRO  16  27.499  10.500  26.094
  116    HD2  PRO  16           HD2      PRO  16  29.793  11.033  24.310
  117    HD3  PRO  16           HD1      PRO  16  28.622   9.696  24.292
  118    H    ASP  17           HN       ASP  17  29.050  13.653  23.069
  119    HA   ASP  17           HA       ASP  17  27.808  16.215  22.766
  120    HB2  ASP  17           HB2      ASP  17  30.535  15.148  22.043
  121    HB3  ASP  17           HB1      ASP  17  30.046  16.816  21.752
  122    H    GLY  18           HN       GLY  18  28.121  13.454  20.618
  123    HA2  GLY  18           HA2      GLY  18  26.494  14.384  18.665
  124    HA3  GLY  18           HA1      GLY  18  28.042  15.094  18.223
  125    H    ILE  19           HN       ILE  19  28.606  13.932  16.437
  126    HA   ILE  19           HA       ILE  19  28.989  11.044  16.798
  127    HB   ILE  19           HB       ILE  19  28.400  10.880  14.330
  128   HG12  ILE  19          HG12      ILE  19  27.093  13.554  14.879
  129   HG13  ILE  19          HG11      ILE  19  28.573  13.351  13.941
  130   HG21  ILE  19          HG21      ILE  19  26.028  10.670  14.772
  131   HG22  ILE  19          HG22      ILE  19  26.142  11.776  16.142
  132   HG23  ILE  19          HG23      ILE  19  26.892  10.181  16.230
  133   HD11  ILE  19          HD11      ILE  19  26.774  13.428  12.357
  134   HD12  ILE  19          HD12      ILE  19  25.819  12.277  13.292
  135   HD13  ILE  19          HD13      ILE  19  27.277  11.741  12.459
  136    H    ASP  20           HN       ASP  20  30.731  10.224  15.724
  137    HA   ASP  20           HA       ASP  20  32.623  12.170  14.533
  138    HB2  ASP  20           HB2      ASP  20  33.191   9.874  16.421
  139    HB3  ASP  20           HB1      ASP  20  34.441  10.716  15.507
  140    H    LEU  21           HN       LEU  21  33.610  11.533  12.623
  141    HA   LEU  21           HA       LEU  21  33.208   8.752  11.766
  142    HB2  LEU  21           HB2      LEU  21  32.621  11.210  10.092
  143    HB3  LEU  21           HB1      LEU  21  32.591   9.545   9.510
  144    HG   LEU  21           HG       LEU  21  30.941   9.301  11.639
  145   HD11  LEU  21          HD11      LEU  21  31.253  11.851  11.969
  146   HD12  LEU  21          HD12      LEU  21  29.604  11.226  11.980
  147   HD13  LEU  21          HD13      LEU  21  30.235  12.022  10.540
  148   HD21  LEU  21          HD21      LEU  21  30.303  10.230   8.827
  149   HD22  LEU  21          HD22      LEU  21  29.077   9.656   9.956
  150   HD23  LEU  21          HD23      LEU  21  30.358   8.570   9.419
  151    H    ARG  22           HN       ARG  22  35.088   7.940  11.248
  152    HA   ARG  22           HA       ARG  22  37.227   9.748  10.257
  153    HB2  ARG  22           HB2      ARG  22  37.672   8.848  12.521
  154    HB3  ARG  22           HB1      ARG  22  37.572   7.217  11.870
  155    HG2  ARG  22           HG2      ARG  22  39.454   7.695  10.350
  156    HG3  ARG  22           HG1      ARG  22  39.550   9.338  10.987
  157    HD2  ARG  22           HD2      ARG  22  39.938   8.358  13.268
  158    HD3  ARG  22           HD1      ARG  22  40.018   6.766  12.519
  159    HE   ARG  22           HE       ARG  22  41.822   8.493  11.199
  160   HH11  ARG  22          HH21      ARG  22  41.293   6.908  14.224
  161   HH12  ARG  22          HH22      ARG  22  42.977   6.777  14.609
  162   HH21  ARG  22          HH11      ARG  22  44.030   8.332  11.688
  163   HH22  ARG  22          HH12      ARG  22  44.531   7.589  13.171
  164    H    LEU  23           HN       LEU  23  38.331   9.210   8.453
  165    HA   LEU  23           HA       LEU  23  37.891   6.556   7.337
  166    HB2  LEU  23           HB2      LEU  23  37.566   7.718   5.088
  167    HB3  LEU  23           HB1      LEU  23  36.211   7.767   6.215
  168    HG   LEU  23           HG       LEU  23  38.161   9.988   6.449
  169   HD11  LEU  23          HD11      LEU  23  36.273   9.699   4.087
  170   HD12  LEU  23          HD12      LEU  23  38.033   9.793   4.016
  171   HD13  LEU  23          HD13      LEU  23  37.097  11.195   4.536
  172   HD21  LEU  23          HD21      LEU  23  36.230  11.195   7.082
  173   HD22  LEU  23          HD22      LEU  23  35.912   9.572   7.691
  174   HD23  LEU  23          HD23      LEU  23  35.155  10.114   6.194
  175    H    SER  24           HN       SER  24  39.641   5.754   6.372
  176    HA   SER  24           HA       SER  24  42.152   7.141   6.600
  177    HB2  SER  24           HB2      SER  24  43.130   5.106   5.715
  178    HB3  SER  24           HB1      SER  24  41.908   4.680   6.911
  179    HG   SER  24           HG       SER  24  41.900   4.405   4.130
  180    H    HIS  25           HN       HIS  25  43.590   7.648   4.895
  181    HA   HIS  25           HA       HIS  25  42.512   9.040   2.721
  182    HB2  HIS  25           HB2      HIS  25  45.233   8.034   3.431
  183    HB3  HIS  25           HB1      HIS  25  44.948   8.509   1.756
  184    HD2  HIS  25           HD2      HIS  25  44.756  11.253   1.324
  185    HE1  HIS  25           HE1      HIS  25  44.961  12.442   5.369
  186    HE2  HIS  25           HE2      HIS  25  44.905  13.273   2.970
  187    H    GLU  26           HN       GLU  26  43.351   5.705   3.142
  188    HA   GLU  26           HA       GLU  26  43.373   4.922   0.399
  189    HB2  GLU  26           HB2      GLU  26  42.882   3.334   2.929
  190    HB3  GLU  26           HB1      GLU  26  43.060   2.610   1.332
  191    HG2  GLU  26           HG2      GLU  26  45.136   4.382   2.654
  192    HG3  GLU  26           HG1      GLU  26  45.189   2.621   2.657
  193    H    ALA  27           HN       ALA  27  40.857   5.221   2.843
  194    HA   ALA  27           HA       ALA  27  38.768   3.894   1.484
  195    HB1  ALA  27           HB1      ALA  27  37.442   4.559   3.222
  196    HB2  ALA  27           HB2      ALA  27  38.031   6.221   3.160
  197    HB3  ALA  27           HB3      ALA  27  38.986   4.984   3.969
  198    H    LEU  28           HN       LEU  28  40.081   7.115   1.329
  199    HA   LEU  28           HA       LEU  28  37.955   8.280  -0.215
  200    HB2  LEU  28           HB2      LEU  28  40.828   9.209   0.121
  201    HB3  LEU  28           HB1      LEU  28  39.572  10.121  -0.710
  202    HG   LEU  28           HG       LEU  28  39.382   9.200   2.172
  203   HD11  LEU  28          HD11      LEU  28  41.179  10.897   1.776
  204   HD12  LEU  28          HD12      LEU  28  39.873  11.489   2.802
  205   HD13  LEU  28          HD13      LEU  28  39.955  11.979   1.110
  206   HD21  LEU  28          HD21      LEU  28  37.177   9.589   1.666
  207   HD22  LEU  28          HD22      LEU  28  37.557  10.625   0.293
  208   HD23  LEU  28          HD23      LEU  28  37.648  11.266   1.932
  209    H    ARG  29           HN       ARG  29  41.048   6.785  -0.970
  210    HA   ARG  29           HA       ARG  29  41.092   7.306  -3.730
  211    HB2  ARG  29           HB2      ARG  29  42.305   5.056  -2.114
  212    HB3  ARG  29           HB1      ARG  29  42.635   5.318  -3.827
  213    HG2  ARG  29           HG2      ARG  29  43.485   7.575  -3.333
  214    HG3  ARG  29           HG1      ARG  29  43.126   7.336  -1.621
  215    HD2  ARG  29           HD2      ARG  29  45.490   6.884  -2.012
  216    HD3  ARG  29           HD1      ARG  29  44.666   5.386  -1.595
  217    HE   ARG  29           HE       ARG  29  44.702   5.701  -4.416
  218   HH11  ARG  29          HH21      ARG  29  46.715   5.032  -1.687
  219   HH12  ARG  29          HH22      ARG  29  47.862   4.092  -2.582
  220   HH21  ARG  29          HH11      ARG  29  46.213   4.458  -5.606
  221   HH22  ARG  29          HH12      ARG  29  47.580   3.770  -4.796
  222    H    GLN  30           HN       GLN  30  39.576   4.633  -1.925
  223    HA   GLN  30           HA       GLN  30  38.894   3.146  -4.278
  224    HB2  GLN  30           HB2      GLN  30  37.813   3.071  -1.454
  225    HB3  GLN  30           HB1      GLN  30  37.318   1.953  -2.726
  226    HG2  GLN  30           HG2      GLN  30  39.640   1.213  -3.008
  227    HG3  GLN  30           HG1      GLN  30  40.164   2.352  -1.769
  228   HE21  GLN  30          HE21      GLN  30  40.888  -0.041  -0.971
  229   HE22  GLN  30          HE22      GLN  30  39.789  -0.768   0.100
  230    H    ILE  31           HN       ILE  31  37.225   5.466  -2.205
  231    HA   ILE  31           HA       ILE  31  34.711   5.282  -3.443
  232    HB   ILE  31           HB       ILE  31  36.008   7.520  -1.885
  233   HG12  ILE  31          HG12      ILE  31  33.767   5.633  -1.116
  234   HG13  ILE  31          HG11      ILE  31  35.461   5.270  -0.789
  235   HG21  ILE  31          HG21      ILE  31  33.259   7.237  -3.093
  236   HG22  ILE  31          HG22      ILE  31  34.347   8.622  -3.153
  237   HG23  ILE  31          HG23      ILE  31  33.523   8.214  -1.649
  238   HD11  ILE  31          HD11      ILE  31  35.658   7.377   0.501
  239   HD12  ILE  31          HD12      ILE  31  34.404   6.330   1.170
  240   HD13  ILE  31          HD13      ILE  31  33.956   7.722   0.183
  241    H    TYR  32           HN       TYR  32  37.400   7.603  -4.128
  242    HA   TYR  32           HA       TYR  32  35.956   9.058  -6.078
  243    HB2  TYR  32           HB2      TYR  32  38.021   9.931  -5.134
  244    HB3  TYR  32           HB1      TYR  32  38.934   8.584  -5.813
  245    HD1  TYR  32           HD1      TYR  32  36.778  11.490  -6.747
  246    HD2  TYR  32           HD2      TYR  32  39.743   8.660  -8.035
  247    HE1  TYR  32           HE1      TYR  32  37.046  12.737  -8.875
  248    HE2  TYR  32           HE2      TYR  32  40.009   9.906 -10.162
  249    HH   TYR  32           HH       TYR  32  38.379  11.540 -11.552
  250    H    LEU  33           HN       LEU  33  38.220   6.330  -6.405
  251    HA   LEU  33           HA       LEU  33  38.054   6.126  -9.210
  252    HB2  LEU  33           HB2      LEU  33  38.727   4.092  -7.084
  253    HB3  LEU  33           HB1      LEU  33  38.871   3.766  -8.810
  254    HG   LEU  33           HG       LEU  33  40.241   6.070  -7.385
  255   HD11  LEU  33          HD11      LEU  33  41.550   4.404  -6.557
  256   HD12  LEU  33          HD12      LEU  33  42.233   4.382  -8.184
  257   HD13  LEU  33          HD13      LEU  33  40.974   3.229  -7.739
  258   HD21  LEU  33          HD21      LEU  33  40.438   6.784  -9.537
  259   HD22  LEU  33          HD22      LEU  33  39.981   5.217 -10.201
  260   HD23  LEU  33          HD23      LEU  33  41.643   5.508  -9.690
  261    H    SER  34           HN       SER  34  36.154   4.517  -6.643
  262    HA   SER  34           HA       SER  34  34.700   2.777  -8.293
  263    HB2  SER  34           HB2      SER  34  33.860   4.156  -5.735
  264    HB3  SER  34           HB1      SER  34  32.988   2.824  -6.488
  265    HG   SER  34           HG       SER  34  34.412   2.039  -4.922
  266    H    GLY  35           HN       GLY  35  34.211   6.164  -7.481
  267    HA2  GLY  35           HA2      GLY  35  31.667   6.430  -8.762
  268    HA3  GLY  35           HA1      GLY  35  32.729   7.750  -8.273
  269    H    LEU  36           HN       LEU  36  35.010   6.897  -9.696
  270    HA   LEU  36           HA       LEU  36  34.641   8.172 -12.153
  271    HB2  LEU  36           HB2      LEU  36  36.822   7.996 -11.017
  272    HB3  LEU  36           HB1      LEU  36  36.838   6.261 -11.320
  273    HG   LEU  36           HG       LEU  36  36.813   6.686 -13.758
  274   HD11  LEU  36          HD11      LEU  36  37.438   9.237 -14.247
  275   HD12  LEU  36          HD12      LEU  36  36.480   9.493 -12.789
  276   HD13  LEU  36          HD13      LEU  36  35.760   8.697 -14.189
  277   HD21  LEU  36          HD21      LEU  36  39.088   7.327 -13.929
  278   HD22  LEU  36          HD22      LEU  36  38.951   6.647 -12.307
  279   HD23  LEU  36          HD23      LEU  36  38.978   8.396 -12.529
  280    H    HIS  37           HN       HIS  37  34.608   4.762 -11.270
  281    HA   HIS  37           HA       HIS  37  34.433   3.809 -13.982
  282    HB2  HIS  37           HB2      HIS  37  33.950   2.471 -11.311
  283    HB3  HIS  37           HB1      HIS  37  33.863   1.632 -12.861
  284    HD2  HIS  37           HD2      HIS  37  36.368   1.157 -14.101
  285    HE1  HIS  37           HE1      HIS  37  38.728   2.750 -10.983
  286    HE2  HIS  37           HE2      HIS  37  38.787   1.440 -13.158
  287    H    SER  38           HN       SER  38  32.243   4.833 -11.506
  288    HA   SER  38           HA       SER  38  29.857   3.626 -12.492
  289    HB2  SER  38           HB2      SER  38  30.023   6.219 -10.954
  290    HB3  SER  38           HB1      SER  38  28.697   5.057 -10.981
  291    HG   SER  38           HG       SER  38  30.636   3.613 -10.234
  292    H    TRP  39           HN       TRP  39  31.857   5.838 -13.950
  293    HA   TRP  39           HA       TRP  39  29.941   7.672 -14.997
  294    HB2  TRP  39           HB2      TRP  39  32.566   7.813 -14.818
  295    HB3  TRP  39           HB1      TRP  39  32.504   7.049 -16.407
  296    HD1  TRP  39           HD1      TRP  39  31.523  10.241 -14.566
  297    HE1  TRP  39           HE1      TRP  39  30.974  12.066 -16.302
  298    HE3  TRP  39           HE3      TRP  39  31.695   7.465 -18.847
  299    HZ2  TRP  39           HZ2      TRP  39  30.649  12.315 -19.132
  300    HZ3  TRP  39           HZ3      TRP  39  31.263   8.520 -21.047
  301    HH2  TRP  39           HH2      TRP  39  30.739  10.939 -21.195
  302    H    LYS  40           HN       LYS  40  31.286   4.600 -16.076
  303    HA   LYS  40           HA       LYS  40  29.803   4.785 -18.599
  304    HB2  LYS  40           HB2      LYS  40  31.808   2.769 -17.570
  305    HB3  LYS  40           HB1      LYS  40  31.000   2.653 -19.133
  306    HG2  LYS  40           HG2      LYS  40  31.931   4.829 -19.795
  307    HG3  LYS  40           HG1      LYS  40  32.719   4.980 -18.223
  308    HD2  LYS  40           HD2      LYS  40  33.992   2.894 -18.691
  309    HD3  LYS  40           HD1      LYS  40  33.254   2.829 -20.292
  310    HE2  LYS  40           HE2      LYS  40  34.881   5.172 -19.270
  311    HE3  LYS  40           HE1      LYS  40  35.532   3.886 -20.284
  312    HZ1  LYS  40           HZ1      LYS  40  33.172   4.782 -21.463
  313    HZ2  LYS  40           HZ2      LYS  40  34.759   4.951 -22.044
  314    HZ3  LYS  40           HZ3      LYS  40  34.079   6.160 -21.063
  315    H    LYS  41           HN       LYS  41  28.289   3.234 -19.245
  316    HA   LYS  41           HA       LYS  41  26.609   2.234 -17.139
  317    HB2  LYS  41           HB2      LYS  41  26.512   1.907 -20.147
  318    HB3  LYS  41           HB1      LYS  41  25.264   1.323 -19.046
  319    HG2  LYS  41           HG2      LYS  41  24.904   3.613 -18.220
  320    HG3  LYS  41           HG1      LYS  41  26.170   4.206 -19.296
  321    HD2  LYS  41           HD2      LYS  41  24.882   3.429 -21.250
  322    HD3  LYS  41           HD1      LYS  41  23.615   2.831 -20.179
  323    HE2  LYS  41           HE2      LYS  41  23.240   5.113 -19.332
  324    HE3  LYS  41           HE1      LYS  41  24.517   5.719 -20.388
  325    HZ1  LYS  41           HZ1      LYS  41  22.611   4.156 -21.819
  326    HZ2  LYS  41           HZ2      LYS  41  23.138   5.747 -22.107
  327    HZ3  LYS  41           HZ3      LYS  41  21.864   5.455 -21.020
  328    H    LYS  42           HN       LYS  42  26.272   0.128 -16.499
  329    HA   LYS  42           HA       LYS  42  28.444  -1.722 -16.976
  330    HB2  LYS  42           HB2      LYS  42  25.911  -1.919 -15.335
  331    HB3  LYS  42           HB1      LYS  42  27.128  -3.193 -15.420
  332    HG2  LYS  42           HG2      LYS  42  28.839  -1.633 -14.587
  333    HG3  LYS  42           HG1      LYS  42  27.637  -0.342 -14.521
  334    HD2  LYS  42           HD2      LYS  42  26.323  -1.636 -12.889
  335    HD3  LYS  42           HD1      LYS  42  27.510  -2.939 -12.961
  336    HE2  LYS  42           HE2      LYS  42  29.255  -1.401 -12.140
  337    HE3  LYS  42           HE1      LYS  42  28.071  -0.096 -12.067
  338    HZ1  LYS  42           HZ1      LYS  42  28.098  -2.603 -10.488
  339    HZ2  LYS  42           HZ2      LYS  42  26.757  -1.561 -10.553
  340    HZ3  LYS  42           HZ3      LYS  42  28.231  -1.014  -9.910
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1  57.381   0.711   7.987
    2    H2   MET   1           HT2      MET   1  56.065   1.789   7.958
    3    H3   MET   1           HT3      MET   1  57.642   2.356   7.657
    4    HA   MET   1           HA       MET   1  56.611   2.229   5.558
    5    HB2  MET   1           HB2      MET   1  58.333  -0.207   6.117
    6    HB3  MET   1           HB1      MET   1  57.916   0.358   4.499
    7    HG2  MET   1           HG2      MET   1  58.992   2.525   4.967
    8    HG3  MET   1           HG1      MET   1  59.385   1.988   6.600
    9    HE1  MET   1           HE1      MET   1  62.531   1.787   6.289
   10    HE2  MET   1           HE2      MET   1  61.371   3.032   5.847
   11    HE3  MET   1           HE3      MET   1  62.540   2.462   4.656
   12    H    ALA   2           HN       ALA   2  56.353  -0.891   7.264
   13    HA   ALA   2           HA       ALA   2  54.362  -1.921   5.467
   14    HB1  ALA   2           HB1      ALA   2  55.932  -2.885   7.719
   15    HB2  ALA   2           HB2      ALA   2  55.265  -3.777   6.350
   16    HB3  ALA   2           HB3      ALA   2  54.268  -3.462   7.769
   17    H    GLU   3           HN       GLU   3  52.190  -2.022   5.707
   18    HA   GLU   3           HA       GLU   3  50.951  -0.149   7.510
   19    HB2  GLU   3           HB2      GLU   3  49.839  -2.106   5.495
   20    HB3  GLU   3           HB1      GLU   3  48.841  -0.984   6.427
   21    HG2  GLU   3           HG2      GLU   3  50.078   0.921   5.502
   22    HG3  GLU   3           HG1      GLU   3  51.136  -0.178   4.615
   23    H    ALA   4           HN       ALA   4  49.253  -0.679   8.998
   24    HA   ALA   4           HA       ALA   4  49.916  -2.837  10.722
   25    HB1  ALA   4           HB1      ALA   4  48.895  -1.242  11.982
   26    HB2  ALA   4           HB2      ALA   4  47.437  -2.140  11.553
   27    HB3  ALA   4           HB3      ALA   4  47.879  -0.694  10.650
   28    H    HIS   5           HN       HIS   5  48.720  -4.698  11.214
   29    HA   HIS   5           HA       HIS   5  47.669  -6.120   8.998
   30    HB2  HIS   5           HB2      HIS   5  48.787  -7.176  10.930
   31    HB3  HIS   5           HB1      HIS   5  47.435  -6.708  11.959
   32    HD2  HIS   5           HD2      HIS   5  48.113  -9.171   8.930
   33    HE1  HIS   5           HE1      HIS   5  44.550 -10.357  10.865
   34    HE2  HIS   5           HE2      HIS   5  46.219 -10.964   9.052
   35    H    GLN   6           HN       GLN   6  46.141  -4.573  11.792
   36    HA   GLN   6           HA       GLN   6  43.492  -5.076  10.604
   37    HB2  GLN   6           HB2      GLN   6  44.342  -4.318  13.404
   38    HB3  GLN   6           HB1      GLN   6  42.659  -4.397  12.884
   39    HG2  GLN   6           HG2      GLN   6  42.960  -6.762  12.255
   40    HG3  GLN   6           HG1      GLN   6  44.640  -6.690  12.778
   41   HE21  GLN   6          HE21      GLN   6  43.682  -8.529  14.242
   42   HE22  GLN   6          HE22      GLN   6  43.037  -8.034  15.730
   43    H    ALA   7           HN       ALA   7  42.482  -3.469   9.626
   44    HA   ALA   7           HA       ALA   7  42.862  -0.706  10.488
   45    HB1  ALA   7           HB1      ALA   7  44.602  -1.443   8.657
   46    HB2  ALA   7           HB2      ALA   7  43.768   0.104   8.505
   47    HB3  ALA   7           HB3      ALA   7  43.221  -1.290   7.570
   48    H    VAL   8           HN       VAL   8  41.194   0.683   9.719
   49    HA   VAL   8           HA       VAL   8  38.925  -0.708   8.418
   50    HB   VAL   8           HB       VAL   8  38.880   1.220  10.738
   51   HG11  VAL   8          HG11      VAL   8  37.081   1.951   9.375
   52   HG12  VAL   8          HG12      VAL   8  36.335   0.804  10.491
   53   HG13  VAL   8          HG13      VAL   8  36.718   0.309   8.841
   54   HG21  VAL   8          HG21      VAL   8  38.340  -0.588  12.004
   55   HG22  VAL   8          HG22      VAL   8  39.065  -1.510  10.689
   56   HG23  VAL   8          HG23      VAL   8  37.322  -1.277  10.743
   57    H    ALA   9           HN       ALA   9  37.961   0.342   6.774
   58    HA   ALA   9           HA       ALA   9  39.250   2.638   5.654
   59    HB1  ALA   9           HB1      ALA   9  37.187   0.741   4.861
   60    HB2  ALA   9           HB2      ALA   9  38.300   1.668   3.857
   61    HB3  ALA   9           HB3      ALA   9  36.780   2.388   4.385
   62    H    PHE  10           HN       PHE  10  36.205   2.092   7.405
   63    HA   PHE  10           HA       PHE  10  36.159   4.963   7.962
   64    HB2  PHE  10           HB2      PHE  10  33.983   5.356   7.213
   65    HB3  PHE  10           HB1      PHE  10  34.723   4.405   5.939
   66    HD1  PHE  10           HD1      PHE  10  34.512   1.656   7.505
   67    HD2  PHE  10           HD2      PHE  10  31.717   4.815   6.660
   68    HE1  PHE  10           HE1      PHE  10  32.640   0.058   7.710
   69    HE2  PHE  10           HE2      PHE  10  29.850   3.199   6.851
   70    HZ   PHE  10           HZ       PHE  10  30.306   0.823   7.378
   71    H    GLN  11           HN       GLN  11  35.429   5.572   9.903
   72    HA   GLN  11           HA       GLN  11  34.207   3.512  11.646
   73    HB2  GLN  11           HB2      GLN  11  36.454   5.421  12.304
   74    HB3  GLN  11           HB1      GLN  11  35.515   4.583  13.535
   75    HG2  GLN  11           HG2      GLN  11  36.152   2.414  12.571
   76    HG3  GLN  11           HG1      GLN  11  37.061   3.238  11.305
   77   HE21  GLN  11          HE21      GLN  11  38.759   1.684  12.564
   78   HE22  GLN  11          HE22      GLN  11  39.638   2.470  13.783
   79    H    PHE  12           HN       PHE  12  32.388   4.142  12.663
   80    HA   PHE  12           HA       PHE  12  31.797   7.050  12.707
   81    HB2  PHE  12           HB2      PHE  12  30.549   5.298  11.094
   82    HB3  PHE  12           HB1      PHE  12  29.617   5.026  12.557
   83    HD1  PHE  12           HD1      PHE  12  29.884   7.983  13.597
   84    HD2  PHE  12           HD2      PHE  12  28.780   6.264   9.819
   85    HE1  PHE  12           HE1      PHE  12  28.595  10.017  13.034
   86    HE2  PHE  12           HE2      PHE  12  27.479   8.299   9.274
   87    HZ   PHE  12           HZ       PHE  12  27.387  10.177  10.884
   88    H    THR  13           HN       THR  13  31.557   7.742  14.855
   89    HA   THR  13           HA       THR  13  30.525   5.761  16.817
   90    HB   THR  13           HB       THR  13  32.497   7.744  17.773
   91    HG1  THR  13           HG1      THR  13  33.579   7.058  15.986
   92   HG21  THR  13          HG21      THR  13  33.142   5.900  19.208
   93   HG22  THR  13          HG22      THR  13  32.158   4.779  18.271
   94   HG23  THR  13          HG23      THR  13  31.386   6.040  19.228
   95    H    VAL  14           HN       VAL  14  29.052   6.401  18.240
   96    HA   VAL  14           HA       VAL  14  28.187   9.205  18.132
   97    HB   VAL  14           HB       VAL  14  26.799   6.764  19.257
   98   HG11  VAL  14          HG11      VAL  14  24.849   8.571  19.036
   99   HG12  VAL  14          HG12      VAL  14  26.191   9.699  19.242
  100   HG13  VAL  14          HG13      VAL  14  25.858   8.490  20.479
  101   HG21  VAL  14          HG21      VAL  14  27.183   7.437  16.624
  102   HG22  VAL  14          HG22      VAL  14  25.666   8.266  16.974
  103   HG23  VAL  14          HG23      VAL  14  25.800   6.525  17.223
  104    H    THR  15           HN       THR  15  28.616  10.580  19.814
  105    HA   THR  15           HA       THR  15  29.258   9.322  22.414
  106    HB   THR  15           HB       THR  15  30.581  11.724  22.487
  107    HG1  THR  15           HG1      THR  15  31.386  10.654  20.049
  108   HG21  THR  15          HG21      THR  15  31.566   9.730  23.328
  109   HG22  THR  15          HG22      THR  15  32.626  10.255  22.028
  110   HG23  THR  15          HG23      THR  15  31.484   8.939  21.756
  111    HA   PRO  16           HA       PRO  16  26.096  11.787  24.272
  112    HB2  PRO  16           HB2      PRO  16  28.112  13.033  26.071
  113    HB3  PRO  16           HB1      PRO  16  26.628  12.154  26.479
  114    HG2  PRO  16           HG2      PRO  16  29.118  11.119  26.751
  115    HG3  PRO  16           HG1      PRO  16  27.665  10.145  26.487
  116    HD2  PRO  16           HD2      PRO  16  29.896  10.681  24.644
  117    HD3  PRO  16           HD1      PRO  16  28.659   9.409  24.585
  118    H    ASP  17           HN       ASP  17  29.203  13.465  23.576
  119    HA   ASP  17           HA       ASP  17  27.971  16.058  23.455
  120    HB2  ASP  17           HB2      ASP  17  30.675  15.048  22.570
  121    HB3  ASP  17           HB1      ASP  17  30.164  16.730  22.439
  122    H    GLY  18           HN       GLY  18  28.215  13.410  21.188
  123    HA2  GLY  18           HA2      GLY  18  26.593  14.471  19.298
  124    HA3  GLY  18           HA1      GLY  18  28.160  15.155  18.878
  125    H    ILE  19           HN       ILE  19  28.703  14.049  17.053
  126    HA   ILE  19           HA       ILE  19  29.084  11.173  17.344
  127    HB   ILE  19           HB       ILE  19  28.210  10.813  15.104
  128   HG12  ILE  19          HG12      ILE  19  27.333  13.712  15.197
  129   HG13  ILE  19          HG11      ILE  19  28.669  13.113  14.216
  130   HG21  ILE  19          HG21      ILE  19  26.022  10.669  15.763
  131   HG22  ILE  19          HG22      ILE  19  25.995  12.323  16.382
  132   HG23  ILE  19          HG23      ILE  19  26.748  11.035  17.329
  133   HD11  ILE  19          HD11      ILE  19  26.382  11.443  13.754
  134   HD12  ILE  19          HD12      ILE  19  27.242  12.473  12.609
  135   HD13  ILE  19          HD13      ILE  19  25.908  13.131  13.554
  136    H    ASP  20           HN       ASP  20  30.668  10.339  15.998
  137    HA   ASP  20           HA       ASP  20  32.504  12.296  14.747
  138    HB2  ASP  20           HB2      ASP  20  33.208  10.003  16.588
  139    HB3  ASP  20           HB1      ASP  20  34.392  10.861  15.597
  140    H    LEU  21           HN       LEU  21  33.463  11.672  12.820
  141    HA   LEU  21           HA       LEU  21  33.049   8.910  11.926
  142    HB2  LEU  21           HB2      LEU  21  32.290   9.720   9.729
  143    HB3  LEU  21           HB1      LEU  21  31.194  10.229  11.011
  144    HG   LEU  21           HG       LEU  21  33.038  12.289  10.935
  145   HD11  LEU  21          HD11      LEU  21  33.857  11.169   8.775
  146   HD12  LEU  21          HD12      LEU  21  33.416  12.873   8.649
  147   HD13  LEU  21          HD13      LEU  21  32.306  11.631   8.076
  148   HD21  LEU  21          HD21      LEU  21  31.187  13.551   9.886
  149   HD22  LEU  21          HD22      LEU  21  30.587  12.485  11.160
  150   HD23  LEU  21          HD23      LEU  21  30.395  12.033   9.467
  151    H    ARG  22           HN       ARG  22  34.878   8.125  11.215
  152    HA   ARG  22           HA       ARG  22  36.951   9.976  10.166
  153    HB2  ARG  22           HB2      ARG  22  37.308   7.555  11.933
  154    HB3  ARG  22           HB1      ARG  22  38.632   8.409  11.149
  155    HG2  ARG  22           HG2      ARG  22  37.972  10.496  12.315
  156    HG3  ARG  22           HG1      ARG  22  36.657   9.626  13.110
  157    HD2  ARG  22           HD2      ARG  22  38.243   8.146  14.215
  158    HD3  ARG  22           HD1      ARG  22  39.583   8.885  13.345
  159    HE   ARG  22           HE       ARG  22  39.437  10.752  14.762
  160   HH11  ARG  22          HH21      ARG  22  36.863   8.493  15.283
  161   HH12  ARG  22          HH22      ARG  22  36.341   9.231  16.755
  162   HH21  ARG  22          HH11      ARG  22  38.738  11.715  16.697
  163   HH22  ARG  22          HH12      ARG  22  37.383  11.047  17.547
  164    H    LEU  23           HN       LEU  23  38.115   9.382   8.383
  165    HA   LEU  23           HA       LEU  23  37.639   6.724   7.261
  166    HB2  LEU  23           HB2      LEU  23  37.163   7.725   5.053
  167    HB3  LEU  23           HB1      LEU  23  35.942   8.158   6.248
  168    HG   LEU  23           HG       LEU  23  37.889  10.141   6.516
  169   HD11  LEU  23          HD11      LEU  23  38.791   9.300   4.298
  170   HD12  LEU  23          HD12      LEU  23  38.300  10.990   4.307
  171   HD13  LEU  23          HD13      LEU  23  37.252   9.774   3.581
  172   HD21  LEU  23          HD21      LEU  23  35.287  10.131   4.966
  173   HD22  LEU  23          HD22      LEU  23  36.136  11.577   5.515
  174   HD23  LEU  23          HD23      LEU  23  35.470  10.447   6.692
  175    H    SER  24           HN       SER  24  39.404   5.928   6.285
  176    HA   SER  24           HA       SER  24  41.875   7.381   6.510
  177    HB2  SER  24           HB2      SER  24  42.926   5.355   6.020
  178    HB3  SER  24           HB1      SER  24  41.439   4.856   6.821
  179    HG   SER  24           HG       SER  24  42.126   3.902   4.652
  180    H    HIS  25           HN       HIS  25  43.380   7.804   4.813
  181    HA   HIS  25           HA       HIS  25  42.353   9.149   2.567
  182    HB2  HIS  25           HB2      HIS  25  45.046   8.283   3.464
  183    HB3  HIS  25           HB1      HIS  25  44.866   8.644   1.745
  184    HD2  HIS  25           HD2      HIS  25  44.386  11.377   1.150
  185    HE1  HIS  25           HE1      HIS  25  44.579  12.736   5.141
  186    HE2  HIS  25           HE2      HIS  25  44.420  13.469   2.714
  187    H    GLU  26           HN       GLU  26  43.264   5.887   3.106
  188    HA   GLU  26           HA       GLU  26  43.416   4.981   0.412
  189    HB2  GLU  26           HB2      GLU  26  44.307   3.756   2.411
  190    HB3  GLU  26           HB1      GLU  26  42.644   3.422   2.897
  191    HG2  GLU  26           HG2      GLU  26  43.437   1.494   1.693
  192    HG3  GLU  26           HG1      GLU  26  42.300   2.331   0.642
  193    H    ALA  27           HN       ALA  27  40.813   5.225   2.796
  194    HA   ALA  27           HA       ALA  27  38.813   3.851   1.382
  195    HB1  ALA  27           HB1      ALA  27  38.825   4.765   3.817
  196    HB2  ALA  27           HB2      ALA  27  37.306   4.755   2.932
  197    HB3  ALA  27           HB3      ALA  27  38.221   6.255   3.097
  198    H    LEU  28           HN       LEU  28  40.009   7.110   1.205
  199    HA   LEU  28           HA       LEU  28  37.971   8.164  -0.495
  200    HB2  LEU  28           HB2      LEU  28  40.811   9.092   0.012
  201    HB3  LEU  28           HB1      LEU  28  39.641   9.989  -0.946
  202    HG   LEU  28           HG       LEU  28  39.229   9.176   1.947
  203   HD11  LEU  28          HD11      LEU  28  39.309  11.955   1.767
  204   HD12  LEU  28          HD12      LEU  28  40.625  11.429   0.719
  205   HD13  LEU  28          HD13      LEU  28  40.583  10.922   2.409
  206   HD21  LEU  28          HD21      LEU  28  37.467  11.145   1.553
  207   HD22  LEU  28          HD22      LEU  28  37.069   9.472   1.170
  208   HD23  LEU  28          HD23      LEU  28  37.568  10.577  -0.112
  209    H    ARG  29           HN       ARG  29  41.080   6.643  -1.060
  210    HA   ARG  29           HA       ARG  29  41.250   7.108  -3.828
  211    HB2  ARG  29           HB2      ARG  29  43.159   6.353  -2.453
  212    HB3  ARG  29           HB1      ARG  29  42.377   4.786  -2.254
  213    HG2  ARG  29           HG2      ARG  29  42.427   4.441  -4.702
  214    HG3  ARG  29           HG1      ARG  29  43.199   6.015  -4.905
  215    HD2  ARG  29           HD2      ARG  29  45.056   5.198  -3.412
  216    HD3  ARG  29           HD1      ARG  29  44.309   3.602  -3.458
  217    HE   ARG  29           HE       ARG  29  45.754   4.900  -5.622
  218   HH11  ARG  29          HH21      ARG  29  43.496   2.454  -4.662
  219   HH12  ARG  29          HH22      ARG  29  43.836   1.422  -6.010
  220   HH21  ARG  29          HH11      ARG  29  46.198   3.554  -7.394
  221   HH22  ARG  29          HH12      ARG  29  45.360   2.049  -7.564
  222    H    GLN  30           HN       GLN  30  39.785   4.369  -2.053
  223    HA   GLN  30           HA       GLN  30  39.197   2.914  -4.441
  224    HB2  GLN  30           HB2      GLN  30  38.061   2.729  -1.640
  225    HB3  GLN  30           HB1      GLN  30  37.631   1.625  -2.950
  226    HG2  GLN  30           HG2      GLN  30  39.973   0.968  -3.216
  227    HG3  GLN  30           HG1      GLN  30  40.456   2.119  -1.967
  228   HE21  GLN  30          HE21      GLN  30  41.269  -0.293  -1.265
  229   HE22  GLN  30          HE22      GLN  30  40.229  -1.061  -0.168
  230    H    ILE  31           HN       ILE  31  37.415   5.159  -2.402
  231    HA   ILE  31           HA       ILE  31  34.937   4.927  -3.702
  232    HB   ILE  31           HB       ILE  31  36.141   7.161  -2.074
  233   HG12  ILE  31          HG12      ILE  31  33.932   5.217  -1.385
  234   HG13  ILE  31          HG11      ILE  31  35.632   4.868  -1.049
  235   HG21  ILE  31          HG21      ILE  31  33.629   7.771  -1.868
  236   HG22  ILE  31          HG22      ILE  31  33.427   6.826  -3.342
  237   HG23  ILE  31          HG23      ILE  31  34.470   8.247  -3.343
  238   HD11  ILE  31          HD11      ILE  31  35.822   6.803   0.372
  239   HD12  ILE  31          HD12      ILE  31  34.371   5.937   0.873
  240   HD13  ILE  31          HD13      ILE  31  34.234   7.386  -0.116
  241    H    TYR  32           HN       TYR  32  37.618   7.276  -4.310
  242    HA   TYR  32           HA       TYR  32  36.190   8.777  -6.221
  243    HB2  TYR  32           HB2      TYR  32  38.230   9.666  -5.314
  244    HB3  TYR  32           HB1      TYR  32  39.163   8.296  -5.919
  245    HD1  TYR  32           HD2      TYR  32  37.071  11.204  -7.015
  246    HD2  TYR  32           HD1      TYR  32  40.008   8.271  -8.116
  247    HE1  TYR  32           HE2      TYR  32  37.415  12.364  -9.186
  248    HE2  TYR  32           HE1      TYR  32  40.355   9.426 -10.284
  249    HH   TYR  32           HH       TYR  32  40.040  11.831 -11.158
  250    H    LEU  33           HN       LEU  33  38.439   6.027  -6.703
  251    HA   LEU  33           HA       LEU  33  38.159   5.958  -9.513
  252    HB2  LEU  33           HB2      LEU  33  38.868   3.795  -7.533
  253    HB3  LEU  33           HB1      LEU  33  38.994   3.602  -9.277
  254    HG   LEU  33           HG       LEU  33  40.378   5.796  -7.713
  255   HD11  LEU  33          HD11      LEU  33  41.330   3.691  -7.025
  256   HD12  LEU  33          HD12      LEU  33  42.444   4.428  -8.175
  257   HD13  LEU  33          HD13      LEU  33  41.384   3.117  -8.692
  258   HD21  LEU  33          HD21      LEU  33  40.063   5.171 -10.571
  259   HD22  LEU  33          HD22      LEU  33  41.744   5.352 -10.080
  260   HD23  LEU  33          HD23      LEU  33  40.600   6.663  -9.795
  261    H    SER  34           HN       SER  34  36.351   4.238  -6.950
  262    HA   SER  34           HA       SER  34  34.846   2.584  -8.652
  263    HB2  SER  34           HB2      SER  34  33.265   2.420  -6.780
  264    HB3  SER  34           HB1      SER  34  34.921   2.305  -6.202
  265    HG   SER  34           HG       SER  34  33.033   4.324  -5.877
  266    H    GLY  35           HN       GLY  35  34.463   5.917  -7.664
  267    HA2  GLY  35           HA2      GLY  35  31.873   6.345  -8.797
  268    HA3  GLY  35           HA1      GLY  35  33.018   7.590  -8.312
  269    H    LEU  36           HN       LEU  36  35.192   6.779  -9.884
  270    HA   LEU  36           HA       LEU  36  34.698   8.131 -12.277
  271    HB2  LEU  36           HB2      LEU  36  36.935   7.949 -11.255
  272    HB3  LEU  36           HB1      LEU  36  36.961   6.227 -11.621
  273    HG   LEU  36           HG       LEU  36  36.781   6.742 -14.039
  274   HD11  LEU  36          HD11      LEU  36  35.722   8.761 -14.343
  275   HD12  LEU  36          HD12      LEU  36  37.389   9.324 -14.433
  276   HD13  LEU  36          HD13      LEU  36  36.481   9.495 -12.935
  277   HD21  LEU  36          HD21      LEU  36  39.034   6.755 -14.026
  278   HD22  LEU  36          HD22      LEU  36  39.008   7.224 -12.331
  279   HD23  LEU  36          HD23      LEU  36  39.036   8.459 -13.588
  280    H    HIS  37           HN       HIS  37  34.676   4.698 -11.506
  281    HA   HIS  37           HA       HIS  37  34.434   3.808 -14.228
  282    HB2  HIS  37           HB2      HIS  37  33.909   2.444 -11.587
  283    HB3  HIS  37           HB1      HIS  37  33.836   1.632 -13.153
  284    HD2  HIS  37           HD2      HIS  37  36.410   2.248 -10.489
  285    HE1  HIS  37           HE1      HIS  37  38.650   1.929 -14.050
  286    HE2  HIS  37           HE2      HIS  37  38.796   2.001 -11.515
  287    H    SER  38           HN       SER  38  32.273   4.884 -11.757
  288    HA   SER  38           HA       SER  38  29.864   3.722 -12.704
  289    HB2  SER  38           HB2      SER  38  30.157   6.364 -11.279
  290    HB3  SER  38           HB1      SER  38  28.751   5.301 -11.286
  291    HG   SER  38           HG       SER  38  31.153   4.169 -10.490
  292    H    TRP  39           HN       TRP  39  31.921   5.848 -14.265
  293    HA   TRP  39           HA       TRP  39  29.946   7.568 -15.452
  294    HB2  TRP  39           HB2      TRP  39  32.874   7.078 -15.847
  295    HB3  TRP  39           HB1      TRP  39  31.962   7.944 -17.084
  296    HD1  TRP  39           HD1      TRP  39  32.582   8.125 -13.273
  297    HE1  TRP  39           HE1      TRP  39  32.470  10.602 -12.568
  298    HE3  TRP  39           HE3      TRP  39  31.299  10.229 -17.728
  299    HZ2  TRP  39           HZ2      TRP  39  31.894  13.141 -13.746
  300    HZ3  TRP  39           HZ3      TRP  39  30.963  12.676 -17.913
  301    HH2  TRP  39           HH2      TRP  39  31.259  14.134 -15.931
  302    H    LYS  40           HN       LYS  40  31.283   4.444 -16.104
  303    HA   LYS  40           HA       LYS  40  30.639   4.340 -18.887
  304    HB2  LYS  40           HB2      LYS  40  32.300   2.845 -17.804
  305    HB3  LYS  40           HB1      LYS  40  30.985   2.063 -16.925
  306    HG2  LYS  40           HG2      LYS  40  29.941   1.358 -18.989
  307    HG3  LYS  40           HG1      LYS  40  31.120   2.260 -19.947
  308    HD2  LYS  40           HD2      LYS  40  32.930   0.835 -19.018
  309    HD3  LYS  40           HD1      LYS  40  31.722  -0.096 -18.129
  310    HE2  LYS  40           HE2      LYS  40  31.872   0.200 -21.144
  311    HE3  LYS  40           HE1      LYS  40  32.300  -1.238 -20.220
  312    HZ1  LYS  40           HZ1      LYS  40  29.900  -0.850 -21.264
  313    HZ2  LYS  40           HZ2      LYS  40  29.652  -0.151 -19.741
  314    HZ3  LYS  40           HZ3      LYS  40  30.155  -1.761 -19.860
  315    H    LYS  41           HN       LYS  41  28.708   3.953 -19.847
  316    HA   LYS  41           HA       LYS  41  26.370   3.628 -18.173
  317    HB2  LYS  41           HB2      LYS  41  26.310   5.054 -20.193
  318    HB3  LYS  41           HB1      LYS  41  26.575   3.629 -21.194
  319    HG2  LYS  41           HG2      LYS  41  24.500   2.620 -20.330
  320    HG3  LYS  41           HG1      LYS  41  24.243   4.027 -19.299
  321    HD2  LYS  41           HD2      LYS  41  24.153   5.464 -21.297
  322    HD3  LYS  41           HD1      LYS  41  24.396   4.047 -22.320
  323    HE2  LYS  41           HE2      LYS  41  22.318   3.059 -21.482
  324    HE3  LYS  41           HE1      LYS  41  22.069   4.444 -20.419
  325    HZ1  LYS  41           HZ1      LYS  41  21.415   5.734 -22.110
  326    HZ2  LYS  41           HZ2      LYS  41  21.101   4.261 -22.905
  327    HZ3  LYS  41           HZ3      LYS  41  22.558   5.093 -23.190
  328    H    LYS  42           HN       LYS  42  25.312   1.778 -17.712
  329    HA   LYS  42           HA       LYS  42  26.432  -0.751 -18.476
  330    HB2  LYS  42           HB2      LYS  42  25.305  -0.278 -16.273
  331    HB3  LYS  42           HB1      LYS  42  23.767  -0.248 -17.139
  332    HG2  LYS  42           HG2      LYS  42  24.122  -2.538 -17.925
  333    HG3  LYS  42           HG1      LYS  42  25.708  -2.578 -17.157
  334    HD2  LYS  42           HD2      LYS  42  24.652  -2.275 -14.949
  335    HD3  LYS  42           HD1      LYS  42  23.065  -2.250 -15.711
  336    HE2  LYS  42           HE2      LYS  42  23.471  -4.534 -16.606
  337    HE3  LYS  42           HE1      LYS  42  25.028  -4.559 -15.777
  338    HZ1  LYS  42           HZ1      LYS  42  22.844  -3.822 -14.073
  339    HZ2  LYS  42           HZ2      LYS  42  24.071  -4.978 -13.832
  340    HZ3  LYS  42           HZ3      LYS  42  22.679  -5.381 -14.722
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1  54.742  -2.246  -1.769
    2    H2   MET   1           HT2      MET   1  53.790  -3.078  -0.634
    3    H3   MET   1           HT3      MET   1  55.173  -2.228  -0.130
    4    HA   MET   1           HA       MET   1  54.102  -0.146  -0.927
    5    HB2  MET   1           HB2      MET   1  51.775  -2.071  -1.173
    6    HB3  MET   1           HB1      MET   1  51.601  -0.315  -1.164
    7    HG2  MET   1           HG2      MET   1  53.130  -0.178  -3.118
    8    HG3  MET   1           HG1      MET   1  53.220  -1.937  -3.152
    9    HE1  MET   1           HE1      MET   1  50.017  -2.843  -2.542
   10    HE2  MET   1           HE2      MET   1  51.472  -3.451  -3.328
   11    HE3  MET   1           HE3      MET   1  49.992  -3.251  -4.262
   12    H    ALA   2           HN       ALA   2  54.106  -2.616   1.282
   13    HA   ALA   2           HA       ALA   2  53.776  -2.744   3.548
   14    HB1  ALA   2           HB1      ALA   2  54.122  -0.751   4.825
   15    HB2  ALA   2           HB2      ALA   2  53.647   0.273   3.470
   16    HB3  ALA   2           HB3      ALA   2  55.158  -0.635   3.402
   17    H    GLU   3           HN       GLU   3  51.736  -3.707   3.438
   18    HA   GLU   3           HA       GLU   3  49.427  -1.888   3.733
   19    HB2  GLU   3           HB2      GLU   3  49.614  -4.765   2.836
   20    HB3  GLU   3           HB1      GLU   3  48.088  -3.940   3.162
   21    HG2  GLU   3           HG2      GLU   3  48.566  -2.268   1.469
   22    HG3  GLU   3           HG1      GLU   3  50.175  -2.937   1.208
   23    H    ALA   4           HN       ALA   4  48.528  -1.712   5.672
   24    HA   ALA   4           HA       ALA   4  49.509  -3.113   7.932
   25    HB1  ALA   4           HB1      ALA   4  48.319  -1.598   9.111
   26    HB2  ALA   4           HB2      ALA   4  46.835  -1.931   8.217
   27    HB3  ALA   4           HB3      ALA   4  48.038  -0.827   7.551
   28    H    HIS   5           HN       HIS   5  48.587  -4.742   9.171
   29    HA   HIS   5           HA       HIS   5  47.141  -6.733   7.760
   30    HB2  HIS   5           HB2      HIS   5  47.764  -6.397  10.700
   31    HB3  HIS   5           HB1      HIS   5  46.984  -7.829  10.019
   32    HD2  HIS   5           HD2      HIS   5  50.539  -6.349  10.380
   33    HE1  HIS   5           HE1      HIS   5  50.850  -9.639   7.750
   34    HE2  HIS   5           HE2      HIS   5  52.169  -7.950   9.111
   35    H    GLN   6           HN       GLN   6  46.212  -4.333  10.183
   36    HA   GLN   6           HA       GLN   6  43.369  -5.001   9.685
   37    HB2  GLN   6           HB2      GLN   6  44.651  -3.738  12.125
   38    HB3  GLN   6           HB1      GLN   6  42.923  -4.020  11.913
   39    HG2  GLN   6           HG2      GLN   6  45.034  -6.194  11.846
   40    HG3  GLN   6           HG1      GLN   6  44.041  -5.811  13.250
   41   HE21  GLN   6          HE21      GLN   6  44.210  -7.998  10.792
   42   HE22  GLN   6          HE22      GLN   6  42.560  -8.342  10.593
   43    H    ALA   7           HN       ALA   7  42.186  -3.468   8.701
   44    HA   ALA   7           HA       ALA   7  42.898  -0.649   8.994
   45    HB1  ALA   7           HB1      ALA   7  43.616  -0.276   6.873
   46    HB2  ALA   7           HB2      ALA   7  42.469  -1.425   6.183
   47    HB3  ALA   7           HB3      ALA   7  43.981  -2.002   6.885
   48    H    VAL   8           HN       VAL   8  41.163   0.728   8.710
   49    HA   VAL   8           HA       VAL   8  38.617  -0.498   7.837
   50    HB   VAL   8           HB       VAL   8  37.472   0.922   9.552
   51   HG11  VAL   8          HG11      VAL   8  37.484  -1.099  10.551
   52   HG12  VAL   8          HG12      VAL   8  38.886  -0.539  11.462
   53   HG13  VAL   8          HG13      VAL   8  39.110  -1.452   9.970
   54   HG21  VAL   8          HG21      VAL   8  40.106   1.990   9.821
   55   HG22  VAL   8          HG22      VAL   8  39.690   1.201  11.343
   56   HG23  VAL   8          HG23      VAL   8  38.648   2.466  10.692
   57    H    ALA   9           HN       ALA   9  37.551   0.590   6.320
   58    HA   ALA   9           HA       ALA   9  38.674   2.931   5.143
   59    HB1  ALA   9           HB1      ALA   9  37.567   1.952   3.456
   60    HB2  ALA   9           HB2      ALA   9  36.113   2.695   4.122
   61    HB3  ALA   9           HB3      ALA   9  36.535   1.040   4.560
   62    H    PHE  10           HN       PHE  10  35.719   2.370   7.082
   63    HA   PHE  10           HA       PHE  10  35.805   5.209   7.765
   64    HB2  PHE  10           HB2      PHE  10  33.168   5.108   7.454
   65    HB3  PHE  10           HB1      PHE  10  34.256   5.611   6.171
   66    HD1  PHE  10           HD1      PHE  10  33.972   2.056   7.252
   67    HD2  PHE  10           HD2      PHE  10  32.779   5.008   4.370
   68    HE1  PHE  10           HE1      PHE  10  33.121   0.271   5.785
   69    HE2  PHE  10           HE2      PHE  10  31.919   3.209   2.900
   70    HZ   PHE  10           HZ       PHE  10  32.090   0.840   3.609
   71    H    GLN  11           HN       GLN  11  34.961   5.808   9.697
   72    HA   GLN  11           HA       GLN  11  33.707   3.706  11.356
   73    HB2  GLN  11           HB2      GLN  11  36.099   5.390  12.090
   74    HB3  GLN  11           HB1      GLN  11  35.121   4.539  13.283
   75    HG2  GLN  11           HG2      GLN  11  36.426   3.185  10.910
   76    HG3  GLN  11           HG1      GLN  11  37.155   3.261  12.514
   77   HE21  GLN  11          HE21      GLN  11  36.078   0.875  10.942
   78   HE22  GLN  11          HE22      GLN  11  34.961   0.147  11.993
   79    H    PHE  12           HN       PHE  12  32.054   4.336  12.587
   80    HA   PHE  12           HA       PHE  12  31.600   7.234  12.896
   81    HB2  PHE  12           HB2      PHE  12  30.037   6.583  11.283
   82    HB3  PHE  12           HB1      PHE  12  29.788   5.009  12.019
   83    HD1  PHE  12           HD1      PHE  12  29.796   8.188  13.979
   84    HD2  PHE  12           HD2      PHE  12  27.415   5.136  12.114
   85    HE1  PHE  12           HE1      PHE  12  27.795   8.999  15.190
   86    HE2  PHE  12           HE2      PHE  12  25.415   5.964  13.313
   87    HZ   PHE  12           HZ       PHE  12  25.602   7.896  14.851
   88    H    THR  13           HN       THR  13  31.576   7.755  15.020
   89    HA   THR  13           HA       THR  13  30.548   5.728  16.933
   90    HB   THR  13           HB       THR  13  32.633   7.585  17.896
   91    HG1  THR  13           HG1      THR  13  34.199   6.000  17.089
   92   HG21  THR  13          HG21      THR  13  31.351   5.660  19.120
   93   HG22  THR  13          HG22      THR  13  33.083   5.847  19.392
   94   HG23  THR  13          HG23      THR  13  32.495   4.612  18.279
   95    H    VAL  14           HN       VAL  14  29.100   6.367  18.350
   96    HA   VAL  14           HA       VAL  14  28.350   9.204  18.382
   97    HB   VAL  14           HB       VAL  14  26.898   6.747  19.393
   98   HG11  VAL  14          HG11      VAL  14  26.389   9.682  19.646
   99   HG12  VAL  14          HG12      VAL  14  26.043   8.383  20.787
  100   HG13  VAL  14          HG13      VAL  14  25.005   8.619  19.381
  101   HG21  VAL  14          HG21      VAL  14  26.170   8.616  17.124
  102   HG22  VAL  14          HG22      VAL  14  25.434   7.062  17.518
  103   HG23  VAL  14          HG23      VAL  14  27.078   7.122  16.879
  104    H    THR  15           HN       THR  15  28.882  10.481  20.084
  105    HA   THR  15           HA       THR  15  29.540   9.125  22.628
  106    HB   THR  15           HB       THR  15  31.638   9.905  22.134
  107    HG1  THR  15           HG1      THR  15  30.510  12.378  22.902
  108   HG21  THR  15          HG21      THR  15  31.945  12.090  20.818
  109   HG22  THR  15          HG22      THR  15  30.217  11.991  20.483
  110   HG23  THR  15          HG23      THR  15  31.295  10.710  19.930
  111    HA   PRO  16           HA       PRO  16  26.471  11.600  24.632
  112    HB2  PRO  16           HB2      PRO  16  28.616  12.694  26.392
  113    HB3  PRO  16           HB1      PRO  16  27.082  11.928  26.838
  114    HG2  PRO  16           HG2      PRO  16  29.458  10.679  27.044
  115    HG3  PRO  16           HG1      PRO  16  27.942   9.829  26.714
  116    HD2  PRO  16           HD2      PRO  16  30.220  10.330  24.909
  117    HD3  PRO  16           HD1      PRO  16  28.931   9.113  24.799
  118    H    ASP  17           HN       ASP  17  29.630  13.149  23.962
  119    HA   ASP  17           HA       ASP  17  28.583  15.803  23.934
  120    HB2  ASP  17           HB2      ASP  17  31.172  14.599  22.958
  121    HB3  ASP  17           HB1      ASP  17  30.805  16.318  22.830
  122    H    GLY  18           HN       GLY  18  28.582  13.239  21.530
  123    HA2  GLY  18           HA2      GLY  18  26.925  14.454  19.766
  124    HA3  GLY  18           HA1      GLY  18  28.495  15.097  19.304
  125    H    ILE  19           HN       ILE  19  28.867  14.093  17.392
  126    HA   ILE  19           HA       ILE  19  29.075  11.171  17.415
  127    HB   ILE  19           HB       ILE  19  28.273  11.248  15.048
  128   HG12  ILE  19          HG12      ILE  19  27.420  14.057  15.774
  129   HG13  ILE  19          HG11      ILE  19  28.777  13.676  14.716
  130   HG21  ILE  19          HG21      ILE  19  26.766  11.261  17.406
  131   HG22  ILE  19          HG22      ILE  19  26.207  10.745  15.816
  132   HG23  ILE  19          HG23      ILE  19  25.941  12.404  16.347
  133   HD11  ILE  19          HD11      ILE  19  27.001  12.261  13.398
  134   HD12  ILE  19          HD12      ILE  19  27.056  14.009  13.181
  135   HD13  ILE  19          HD13      ILE  19  25.839  13.290  14.235
  136    H    ASP  20           HN       ASP  20  30.686  10.371  16.121
  137    HA   ASP  20           HA       ASP  20  32.608  12.332  15.004
  138    HB2  ASP  20           HB2      ASP  20  33.194   9.842  16.619
  139    HB3  ASP  20           HB1      ASP  20  34.415  10.727  15.705
  140    H    LEU  21           HN       LEU  21  33.427  11.863  12.982
  141    HA   LEU  21           HA       LEU  21  32.774   9.222  11.846
  142    HB2  LEU  21           HB2      LEU  21  32.393  11.954  10.579
  143    HB3  LEU  21           HB1      LEU  21  32.304  10.442   9.684
  144    HG   LEU  21           HG       LEU  21  30.569  11.007  12.102
  145   HD11  LEU  21          HD11      LEU  21  30.300  11.836   9.240
  146   HD12  LEU  21          HD12      LEU  21  29.785  12.676  10.703
  147   HD13  LEU  21          HD13      LEU  21  28.845  11.316  10.090
  148   HD21  LEU  21          HD21      LEU  21  29.404   9.331  10.076
  149   HD22  LEU  21          HD22      LEU  21  29.818   8.907  11.735
  150   HD23  LEU  21          HD23      LEU  21  31.008   8.710  10.450
  151    H    ARG  22           HN       ARG  22  34.575   8.312  11.157
  152    HA   ARG  22           HA       ARG  22  36.800  10.038  10.224
  153    HB2  ARG  22           HB2      ARG  22  36.915   7.566  11.940
  154    HB3  ARG  22           HB1      ARG  22  38.324   8.209  11.096
  155    HG2  ARG  22           HG2      ARG  22  38.017  10.378  12.230
  156    HG3  ARG  22           HG1      ARG  22  36.610   9.735  13.078
  157    HD2  ARG  22           HD2      ARG  22  37.994   8.073  14.198
  158    HD3  ARG  22           HD1      ARG  22  39.401   8.570  13.268
  159    HE   ARG  22           HE       ARG  22  39.459  10.613  14.509
  160   HH11  ARG  22          HH21      ARG  22  37.022   8.371  15.600
  161   HH12  ARG  22          HH22      ARG  22  36.825   9.156  17.129
  162   HH21  ARG  22          HH11      ARG  22  39.170  11.619  16.494
  163   HH22  ARG  22          HH12      ARG  22  38.031  10.986  17.635
  164    H    LEU  23           HN       LEU  23  37.857   9.530   8.388
  165    HA   LEU  23           HA       LEU  23  37.252   6.945   7.138
  166    HB2  LEU  23           HB2      LEU  23  36.992   9.637   5.767
  167    HB3  LEU  23           HB1      LEU  23  36.876   8.066   4.975
  168    HG   LEU  23           HG       LEU  23  35.051   7.679   6.908
  169   HD11  LEU  23          HD11      LEU  23  33.899   9.613   7.557
  170   HD12  LEU  23          HD12      LEU  23  34.585  10.578   6.250
  171   HD13  LEU  23          HD13      LEU  23  35.580  10.138   7.635
  172   HD21  LEU  23          HD21      LEU  23  34.594   9.196   4.319
  173   HD22  LEU  23          HD22      LEU  23  33.346   8.347   5.230
  174   HD23  LEU  23          HD23      LEU  23  34.666   7.442   4.491
  175    H    SER  24           HN       SER  24  38.996   6.063   6.273
  176    HA   SER  24           HA       SER  24  41.542   7.354   6.547
  177    HB2  SER  24           HB2      SER  24  40.659   4.680   5.490
  178    HB3  SER  24           HB1      SER  24  42.334   5.211   5.372
  179    HG   SER  24           HG       SER  24  41.953   4.057   7.303
  180    H    HIS  25           HN       HIS  25  42.954   8.002   4.986
  181    HA   HIS  25           HA       HIS  25  41.980   9.292   2.715
  182    HB2  HIS  25           HB2      HIS  25  44.735   8.304   3.439
  183    HB3  HIS  25           HB1      HIS  25  44.421   9.164   1.932
  184    HD2  HIS  25           HD2      HIS  25  44.680   9.933   5.760
  185    HE1  HIS  25           HE1      HIS  25  43.843  13.559   3.766
  186    HE2  HIS  25           HE2      HIS  25  44.484  12.528   5.995
  187    H    GLU  26           HN       GLU  26  42.885   6.027   3.281
  188    HA   GLU  26           HA       GLU  26  43.132   5.180   0.565
  189    HB2  GLU  26           HB2      GLU  26  42.525   3.643   3.098
  190    HB3  GLU  26           HB1      GLU  26  42.803   2.889   1.528
  191    HG2  GLU  26           HG2      GLU  26  45.037   3.885   1.411
  192    HG3  GLU  26           HG1      GLU  26  44.766   4.717   2.943
  193    H    ALA  27           HN       ALA  27  40.482   5.379   2.877
  194    HA   ALA  27           HA       ALA  27  38.520   3.971   1.437
  195    HB1  ALA  27           HB1      ALA  27  37.515   6.298   2.910
  196    HB2  ALA  27           HB2      ALA  27  38.631   5.313   3.854
  197    HB3  ALA  27           HB3      ALA  27  37.187   4.580   3.158
  198    H    LEU  28           HN       LEU  28  39.747   7.189   1.244
  199    HA   LEU  28           HA       LEU  28  37.758   8.274  -0.504
  200    HB2  LEU  28           HB2      LEU  28  40.579   9.141   0.135
  201    HB3  LEU  28           HB1      LEU  28  39.488  10.073  -0.880
  202    HG   LEU  28           HG       LEU  28  38.841   9.210   1.958
  203   HD11  LEU  28          HD11      LEU  28  39.554  11.273   2.767
  204   HD12  LEU  28          HD12      LEU  28  39.456  12.045   1.185
  205   HD13  LEU  28          HD13      LEU  28  40.782  10.944   1.547
  206   HD21  LEU  28          HD21      LEU  28  37.294  11.388   1.393
  207   HD22  LEU  28          HD22      LEU  28  36.758   9.723   1.177
  208   HD23  LEU  28          HD23      LEU  28  37.381  10.635  -0.195
  209    H    ARG  29           HN       ARG  29  40.903   6.755  -0.967
  210    HA   ARG  29           HA       ARG  29  41.137   7.222  -3.730
  211    HB2  ARG  29           HB2      ARG  29  43.026   6.500  -2.313
  212    HB3  ARG  29           HB1      ARG  29  42.269   4.916  -2.128
  213    HG2  ARG  29           HG2      ARG  29  42.425   4.497  -4.508
  214    HG3  ARG  29           HG1      ARG  29  43.000   6.137  -4.804
  215    HD2  ARG  29           HD2      ARG  29  44.897   4.600  -4.805
  216    HD3  ARG  29           HD1      ARG  29  44.998   5.663  -3.405
  217    HE   ARG  29           HE       ARG  29  43.607   3.301  -2.691
  218   HH11  ARG  29          HH21      ARG  29  46.742   4.472  -3.566
  219   HH12  ARG  29          HH22      ARG  29  47.597   3.281  -2.643
  220   HH21  ARG  29          HH11      ARG  29  44.717   1.746  -1.469
  221   HH22  ARG  29          HH12      ARG  29  46.448   1.738  -1.455
  222    H    GLN  30           HN       GLN  30  39.586   4.549  -1.974
  223    HA   GLN  30           HA       GLN  30  39.059   3.007  -4.320
  224    HB2  GLN  30           HB2      GLN  30  37.839   2.984  -1.555
  225    HB3  GLN  30           HB1      GLN  30  37.443   1.810  -2.813
  226    HG2  GLN  30           HG2      GLN  30  39.804   1.168  -2.982
  227    HG3  GLN  30           HG1      GLN  30  40.227   2.366  -1.762
  228   HE21  GLN  30          HE21      GLN  30  41.052   0.050  -0.902
  229   HE22  GLN  30          HE22      GLN  30  39.978  -0.714   0.168
  230    H    ILE  31           HN       ILE  31  37.227   5.360  -2.437
  231    HA   ILE  31           HA       ILE  31  34.804   5.061  -3.822
  232    HB   ILE  31           HB       ILE  31  35.954   7.373  -2.259
  233   HG12  ILE  31          HG12      ILE  31  33.701   5.470  -1.567
  234   HG13  ILE  31          HG11      ILE  31  35.379   5.121  -1.160
  235   HG21  ILE  31          HG21      ILE  31  33.361   7.910  -2.207
  236   HG22  ILE  31          HG22      ILE  31  33.370   7.045  -3.744
  237   HG23  ILE  31          HG23      ILE  31  34.365   8.486  -3.539
  238   HD11  ILE  31          HD11      ILE  31  33.995   6.276   0.655
  239   HD12  ILE  31          HD12      ILE  31  34.035   7.711  -0.367
  240   HD13  ILE  31          HD13      ILE  31  35.537   7.032   0.260
  241    H    TYR  32           HN       TYR  32  37.505   7.371  -4.456
  242    HA   TYR  32           HA       TYR  32  36.170   8.759  -6.523
  243    HB2  TYR  32           HB2      TYR  32  38.167   9.680  -5.536
  244    HB3  TYR  32           HB1      TYR  32  39.118   8.286  -6.049
  245    HD1  TYR  32           HD2      TYR  32  36.914  10.983  -7.428
  246    HD2  TYR  32           HD1      TYR  32  40.242   8.355  -8.107
  247    HE1  TYR  32           HE2      TYR  32  37.344  12.089  -9.606
  248    HE2  TYR  32           HE1      TYR  32  40.672   9.461 -10.286
  249    HH   TYR  32           HH       TYR  32  40.203  11.337 -11.513
  250    H    LEU  33           HN       LEU  33  38.423   6.003  -6.681
  251    HA   LEU  33           HA       LEU  33  38.364   5.736  -9.487
  252    HB2  LEU  33           HB2      LEU  33  39.108   3.941  -7.215
  253    HB3  LEU  33           HB1      LEU  33  38.946   3.247  -8.821
  254    HG   LEU  33           HG       LEU  33  40.539   5.134  -9.604
  255   HD11  LEU  33          HD11      LEU  33  41.731   6.362  -8.054
  256   HD12  LEU  33          HD12      LEU  33  41.562   5.139  -6.797
  257   HD13  LEU  33          HD13      LEU  33  40.217   6.207  -7.172
  258   HD21  LEU  33          HD21      LEU  33  41.189   2.781  -9.444
  259   HD22  LEU  33          HD22      LEU  33  41.481   2.961  -7.715
  260   HD23  LEU  33          HD23      LEU  33  42.506   3.807  -8.873
  261    H    SER  34           HN       SER  34  36.316   4.193  -6.983
  262    HA   SER  34           HA       SER  34  34.956   2.461  -8.746
  263    HB2  SER  34           HB2      SER  34  34.060   3.707  -6.140
  264    HB3  SER  34           HB1      SER  34  33.163   2.454  -6.996
  265    HG   SER  34           HG       SER  34  34.866   1.906  -5.283
  266    H    GLY  35           HN       GLY  35  34.440   5.827  -7.882
  267    HA2  GLY  35           HA2      GLY  35  31.934   6.123  -9.231
  268    HA3  GLY  35           HA1      GLY  35  32.990   7.431  -8.701
  269    H    LEU  36           HN       LEU  36  35.304   6.576 -10.064
  270    HA   LEU  36           HA       LEU  36  34.993   7.868 -12.526
  271    HB2  LEU  36           HB2      LEU  36  37.132   7.648 -11.242
  272    HB3  LEU  36           HB1      LEU  36  37.193   5.957 -11.728
  273    HG   LEU  36           HG       LEU  36  37.167   6.673 -14.118
  274   HD11  LEU  36          HD11      LEU  36  37.915   9.217 -14.301
  275   HD12  LEU  36          HD12      LEU  36  36.996   9.365 -12.805
  276   HD13  LEU  36          HD13      LEU  36  36.207   8.785 -14.272
  277   HD21  LEU  36          HD21      LEU  36  39.330   7.726 -12.283
  278   HD22  LEU  36          HD22      LEU  36  39.494   7.726 -14.039
  279   HD23  LEU  36          HD23      LEU  36  39.313   6.201 -13.170
  280    H    HIS  37           HN       HIS  37  34.952   4.462 -11.646
  281    HA   HIS  37           HA       HIS  37  34.924   3.503 -14.358
  282    HB2  HIS  37           HB2      HIS  37  34.225   2.161 -11.732
  283    HB3  HIS  37           HB1      HIS  37  34.331   1.330 -13.285
  284    HD2  HIS  37           HD2      HIS  37  37.125   3.719 -13.557
  285    HE1  HIS  37           HE1      HIS  37  38.813   0.515 -11.387
  286    HE2  HIS  37           HE2      HIS  37  39.336   2.619 -12.708
  287    H    SER  38           HN       SER  38  32.623   4.612 -12.041
  288    HA   SER  38           HA       SER  38  30.262   3.435 -13.124
  289    HB2  SER  38           HB2      SER  38  30.392   6.077 -11.673
  290    HB3  SER  38           HB1      SER  38  29.061   4.924 -11.716
  291    HG   SER  38           HG       SER  38  31.386   3.804 -10.856
  292    H    TRP  39           HN       TRP  39  32.396   5.646 -14.480
  293    HA   TRP  39           HA       TRP  39  30.568   7.448 -15.698
  294    HB2  TRP  39           HB2      TRP  39  32.999   7.896 -15.419
  295    HB3  TRP  39           HB1      TRP  39  33.341   6.650 -16.617
  296    HD1  TRP  39           HD1      TRP  39  31.848  10.141 -16.247
  297    HE1  TRP  39           HE1      TRP  39  31.679  11.229 -18.576
  298    HE3  TRP  39           HE3      TRP  39  33.132   6.161 -19.180
  299    HZ2  TRP  39           HZ2      TRP  39  32.038  10.510 -21.320
  300    HZ3  TRP  39           HZ3      TRP  39  33.208   6.392 -21.646
  301    HH2  TRP  39           HH2      TRP  39  32.663   8.559 -22.720
  302    H    LYS  40           HN       LYS  40  31.911   4.319 -16.608
  303    HA   LYS  40           HA       LYS  40  30.810   4.403 -19.282
  304    HB2  LYS  40           HB2      LYS  40  31.955   2.100 -17.674
  305    HB3  LYS  40           HB1      LYS  40  31.536   2.036 -19.387
  306    HG2  LYS  40           HG2      LYS  40  33.146   3.881 -19.827
  307    HG3  LYS  40           HG1      LYS  40  33.594   3.872 -18.123
  308    HD2  LYS  40           HD2      LYS  40  34.315   1.505 -18.337
  309    HD3  LYS  40           HD1      LYS  40  33.912   1.557 -20.054
  310    HE2  LYS  40           HE2      LYS  40  35.549   3.356 -20.408
  311    HE3  LYS  40           HE1      LYS  40  35.930   3.362 -18.687
  312    HZ1  LYS  40           HZ1      LYS  40  37.555   2.080 -19.896
  313    HZ2  LYS  40           HZ2      LYS  40  36.340   1.097 -20.564
  314    HZ3  LYS  40           HZ3      LYS  40  36.653   1.050 -18.895
  315    H    LYS  41           HN       LYS  41  28.855   3.661 -19.947
  316    HA   LYS  41           HA       LYS  41  26.890   2.980 -17.940
  317    HB2  LYS  41           HB2      LYS  41  26.722   3.127 -20.962
  318    HB3  LYS  41           HB1      LYS  41  25.349   2.781 -19.911
  319    HG2  LYS  41           HG2      LYS  41  25.727   4.951 -18.748
  320    HG3  LYS  41           HG1      LYS  41  27.045   5.295 -19.869
  321    HD2  LYS  41           HD2      LYS  41  25.461   5.148 -21.768
  322    HD3  LYS  41           HD1      LYS  41  24.145   4.837 -20.636
  323    HE2  LYS  41           HE2      LYS  41  25.884   7.318 -20.563
  324    HE3  LYS  41           HE1      LYS  41  24.306   7.242 -21.350
  325    HZ1  LYS  41           HZ1      LYS  41  23.281   6.701 -19.276
  326    HZ2  LYS  41           HZ2      LYS  41  24.225   8.096 -19.051
  327    HZ3  LYS  41           HZ3      LYS  41  24.783   6.591 -18.494
  328    H    LYS  42           HN       LYS  42  25.816   1.002 -17.700
  329    HA   LYS  42           HA       LYS  42  26.654  -1.266 -19.328
  330    HB2  LYS  42           HB2      LYS  42  28.363  -1.080 -17.494
  331    HB3  LYS  42           HB1      LYS  42  27.059  -1.330 -16.331
  332    HG2  LYS  42           HG2      LYS  42  26.531  -3.495 -17.326
  333    HG3  LYS  42           HG1      LYS  42  27.746  -3.246 -18.580
  334    HD2  LYS  42           HD2      LYS  42  29.508  -3.170 -16.848
  335    HD3  LYS  42           HD1      LYS  42  28.289  -3.447 -15.603
  336    HE2  LYS  42           HE2      LYS  42  27.697  -5.599 -16.661
  337    HE3  LYS  42           HE1      LYS  42  28.920  -5.326 -17.901
  338    HZ1  LYS  42           HZ1      LYS  42  30.602  -5.752 -16.474
  339    HZ2  LYS  42           HZ2      LYS  42  29.413  -6.693 -15.709
  340    HZ3  LYS  42           HZ3      LYS  42  29.781  -5.142 -15.121
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1  49.271 -12.775  25.203
    2    H2   MET   1           HT2      MET   1  50.867 -13.335  25.053
    3    H3   MET   1           HT3      MET   1  49.857 -13.269  23.689
    4    HA   MET   1           HA       MET   1  49.956 -10.715  24.861
    5    HB2  MET   1           HB2      MET   1  52.616 -12.053  24.287
    6    HB3  MET   1           HB1      MET   1  52.404 -10.309  24.445
    7    HG2  MET   1           HG2      MET   1  51.510 -10.646  26.739
    8    HG3  MET   1           HG1      MET   1  51.788 -12.381  26.574
    9    HE1  MET   1           HE1      MET   1  53.061 -12.594  28.537
   10    HE2  MET   1           HE2      MET   1  53.129 -10.908  29.046
   11    HE3  MET   1           HE3      MET   1  54.614 -11.851  28.944
   12    H    ALA   2           HN       ALA   2  51.601  -9.502  23.008
   13    HA   ALA   2           HA       ALA   2  51.562  -8.729  20.841
   14    HB1  ALA   2           HB1      ALA   2  52.158 -10.281  19.224
   15    HB2  ALA   2           HB2      ALA   2  51.092 -11.524  19.880
   16    HB3  ALA   2           HB3      ALA   2  52.607 -11.139  20.698
   17    H    GLU   3           HN       GLU   3  49.800  -7.555  20.347
   18    HA   GLU   3           HA       GLU   3  47.448  -9.003  19.336
   19    HB2  GLU   3           HB2      GLU   3  46.975  -8.383  21.686
   20    HB3  GLU   3           HB1      GLU   3  47.288  -6.693  21.284
   21    HG2  GLU   3           HG2      GLU   3  45.457  -6.693  19.672
   22    HG3  GLU   3           HG1      GLU   3  45.186  -8.413  19.937
   23    H    ALA   4           HN       ALA   4  46.237  -7.880  17.797
   24    HA   ALA   4           HA       ALA   4  47.165  -5.243  16.942
   25    HB1  ALA   4           HB1      ALA   4  46.946  -7.262  14.774
   26    HB2  ALA   4           HB2      ALA   4  48.385  -7.335  15.791
   27    HB3  ALA   4           HB3      ALA   4  48.006  -5.858  14.907
   28    H    HIS   5           HN       HIS   5  45.696  -4.150  15.601
   29    HA   HIS   5           HA       HIS   5  42.976  -5.317  15.549
   30    HB2  HIS   5           HB2      HIS   5  43.996  -2.513  15.918
   31    HB3  HIS   5           HB1      HIS   5  42.370  -2.790  15.299
   32    HD2  HIS   5           HD2      HIS   5  44.302  -2.986  18.671
   33    HE1  HIS   5           HE1      HIS   5  40.376  -4.366  19.384
   34    HE2  HIS   5           HE2      HIS   5  42.562  -3.691  20.485
   35    H    GLN   6           HN       GLN   6  41.799  -5.256  13.655
   36    HA   GLN   6           HA       GLN   6  43.289  -5.091  11.209
   37    HB2  GLN   6           HB2      GLN   6  41.456  -6.715  11.539
   38    HB3  GLN   6           HB1      GLN   6  40.309  -5.379  11.642
   39    HG2  GLN   6           HG2      GLN   6  40.811  -4.694   9.372
   40    HG3  GLN   6           HG1      GLN   6  42.110  -5.881   9.260
   41   HE21  GLN   6          HE21      GLN   6  39.858  -5.851   7.447
   42   HE22  GLN   6          HE22      GLN   6  38.971  -7.275   7.706
   43    H    ALA   7           HN       ALA   7  43.291  -3.525   9.673
   44    HA   ALA   7           HA       ALA   7  42.652  -0.861  10.411
   45    HB1  ALA   7           HB1      ALA   7  44.312  -0.778   8.864
   46    HB2  ALA   7           HB2      ALA   7  42.970  -0.708   7.722
   47    HB3  ALA   7           HB3      ALA   7  43.768  -2.246   8.052
   48    H    VAL   8           HN       VAL   8  40.990   0.477   9.824
   49    HA   VAL   8           HA       VAL   8  38.727  -0.755   8.371
   50    HB   VAL   8           HB       VAL   8  38.709   1.011  10.817
   51   HG11  VAL   8          HG11      VAL   8  36.139   0.748  10.443
   52   HG12  VAL   8          HG12      VAL   8  36.577   0.442   8.762
   53   HG13  VAL   8          HG13      VAL   8  36.998   1.979   9.518
   54   HG21  VAL   8          HG21      VAL   8  37.127  -1.501  10.376
   55   HG22  VAL   8          HG22      VAL   8  37.765  -0.835  11.880
   56   HG23  VAL   8          HG23      VAL   8  38.847  -1.633  10.739
   57    H    ALA   9           HN       ALA   9  37.853   0.364   6.759
   58    HA   ALA   9           HA       ALA   9  39.204   2.670   5.730
   59    HB1  ALA   9           HB1      ALA   9  36.522   2.081   4.671
   60    HB2  ALA   9           HB2      ALA   9  37.649   0.727   4.616
   61    HB3  ALA   9           HB3      ALA   9  38.060   2.248   3.825
   62    H    PHE  10           HN       PHE  10  36.177   2.106   7.451
   63    HA   PHE  10           HA       PHE  10  36.034   4.976   7.960
   64    HB2  PHE  10           HB2      PHE  10  33.400   4.540   7.635
   65    HB3  PHE  10           HB1      PHE  10  34.448   5.180   6.379
   66    HD1  PHE  10           HD1      PHE  10  34.553   1.598   7.489
   67    HD2  PHE  10           HD2      PHE  10  33.151   4.386   4.528
   68    HE1  PHE  10           HE1      PHE  10  33.998  -0.275   5.988
   69    HE2  PHE  10           HE2      PHE  10  32.575   2.494   3.035
   70    HZ   PHE  10           HZ       PHE  10  33.001   0.165   3.765
   71    H    GLN  11           HN       GLN  11  35.441   5.533   9.947
   72    HA   GLN  11           HA       GLN  11  34.248   3.461  11.700
   73    HB2  GLN  11           HB2      GLN  11  36.743   4.992  11.979
   74    HB3  GLN  11           HB1      GLN  11  35.701   5.061  13.400
   75    HG2  GLN  11           HG2      GLN  11  36.410   2.466  12.017
   76    HG3  GLN  11           HG1      GLN  11  37.349   3.127  13.356
   77   HE21  GLN  11          HE21      GLN  11  35.102   0.836  12.857
   78   HE22  GLN  11          HE22      GLN  11  34.206   0.960  14.294
   79    H    PHE  12           HN       PHE  12  32.451   4.079  12.772
   80    HA   PHE  12           HA       PHE  12  31.869   6.974  12.922
   81    HB2  PHE  12           HB2      PHE  12  30.393   6.142  11.302
   82    HB3  PHE  12           HB1      PHE  12  30.169   4.621  12.148
   83    HD1  PHE  12           HD1      PHE  12  30.009   7.948  13.841
   84    HD2  PHE  12           HD2      PHE  12  27.787   4.667  12.186
   85    HE1  PHE  12           HE1      PHE  12  27.955   8.781  14.937
   86    HE2  PHE  12           HE2      PHE  12  25.730   5.515  13.272
   87    HZ   PHE  12           HZ       PHE  12  25.812   7.574  14.645
   88    H    THR  13           HN       THR  13  31.673   7.643  14.997
   89    HA   THR  13           HA       THR  13  30.666   5.708  17.009
   90    HB   THR  13           HB       THR  13  32.693   7.696  17.850
   91    HG1  THR  13           HG1      THR  13  33.129   6.062  15.854
   92   HG21  THR  13          HG21      THR  13  33.228   5.987  19.455
   93   HG22  THR  13          HG22      THR  13  32.285   4.788  18.569
   94   HG23  THR  13          HG23      THR  13  31.471   6.119  19.391
   95    H    VAL  14           HN       VAL  14  29.189   6.375  18.352
   96    HA   VAL  14           HA       VAL  14  28.309   9.171  18.208
   97    HB   VAL  14           HB       VAL  14  26.648   7.389  17.762
   98   HG11  VAL  14          HG11      VAL  14  26.653   6.610  20.642
   99   HG12  VAL  14          HG12      VAL  14  27.928   5.936  19.627
  100   HG13  VAL  14          HG13      VAL  14  26.236   5.655  19.220
  101   HG21  VAL  14          HG21      VAL  14  24.937   8.238  19.281
  102   HG22  VAL  14          HG22      VAL  14  25.995   9.565  18.805
  103   HG23  VAL  14          HG23      VAL  14  26.172   8.823  20.395
  104    H    THR  15           HN       THR  15  28.786  10.551  19.864
  105    HA   THR  15           HA       THR  15  29.361   9.339  22.500
  106    HB   THR  15           HB       THR  15  30.796  11.594  22.663
  107    HG1  THR  15           HG1      THR  15  30.231  11.212  20.032
  108   HG21  THR  15          HG21      THR  15  31.476   8.872  21.582
  109   HG22  THR  15          HG22      THR  15  31.871   9.570  23.152
  110   HG23  THR  15          HG23      THR  15  32.727  10.110  21.709
  111    HA   PRO  16           HA       PRO  16  26.227  11.853  24.307
  112    HB2  PRO  16           HB2      PRO  16  28.273  13.128  26.058
  113    HB3  PRO  16           HB1      PRO  16  26.770  12.300  26.500
  114    HG2  PRO  16           HG2      PRO  16  29.207  11.198  26.818
  115    HG3  PRO  16           HG1      PRO  16  27.743  10.252  26.511
  116    HD2  PRO  16           HD2      PRO  16  30.029  10.780  24.713
  117    HD3  PRO  16           HD1      PRO  16  28.812   9.486  24.661
  118    H    ASP  17           HN       ASP  17  29.322  13.458  23.549
  119    HA   ASP  17           HA       ASP  17  28.154  16.070  23.404
  120    HB2  ASP  17           HB2      ASP  17  30.827  14.923  22.627
  121    HB3  ASP  17           HB1      ASP  17  30.408  16.612  22.350
  122    H    GLY  18           HN       GLY  18  28.363  13.402  21.118
  123    HA2  GLY  18           HA2      GLY  18  26.714  14.476  19.250
  124    HA3  GLY  18           HA1      GLY  18  28.277  15.146  18.797
  125    H    ILE  19           HN       ILE  19  28.715  14.042  16.928
  126    HA   ILE  19           HA       ILE  19  29.016  11.131  17.147
  127    HB   ILE  19           HB       ILE  19  28.268  11.071  14.722
  128   HG12  ILE  19          HG12      ILE  19  27.021  13.742  15.396
  129   HG13  ILE  19          HG11      ILE  19  28.520  13.599  14.477
  130   HG21  ILE  19          HG21      ILE  19  25.795  11.340  15.403
  131   HG22  ILE  19          HG22      ILE  19  26.412  11.801  16.989
  132   HG23  ILE  19          HG23      ILE  19  26.759  10.200  16.343
  133   HD11  ILE  19          HD11      ILE  19  26.018  12.110  13.676
  134   HD12  ILE  19          HD12      ILE  19  27.451  12.439  12.703
  135   HD13  ILE  19          HD13      ILE  19  26.346  13.751  13.113
  136    H    ASP  20           HN       ASP  20  30.657  10.301  15.863
  137    HA   ASP  20           HA       ASP  20  32.516  12.259  14.650
  138    HB2  ASP  20           HB2      ASP  20  33.230  11.488  16.968
  139    HB3  ASP  20           HB1      ASP  20  33.447   9.887  16.265
  140    H    LEU  21           HN       LEU  21  33.486  11.633  12.757
  141    HA   LEU  21           HA       LEU  21  33.071   8.856  11.885
  142    HB2  LEU  21           HB2      LEU  21  32.435  11.351  10.286
  143    HB3  LEU  21           HB1      LEU  21  32.441   9.716   9.633
  144    HG   LEU  21           HG       LEU  21  30.827   9.364  11.798
  145   HD11  LEU  21          HD11      LEU  21  31.057  11.974  12.045
  146   HD12  LEU  21          HD12      LEU  21  29.480  11.213  12.244
  147   HD13  LEU  21          HD13      LEU  21  29.888  12.007  10.723
  148   HD21  LEU  21          HD21      LEU  21  30.014  10.333   9.040
  149   HD22  LEU  21          HD22      LEU  21  28.956   9.496  10.176
  150   HD23  LEU  21          HD23      LEU  21  30.351   8.662   9.493
  151    H    ARG  22           HN       ARG  22  34.973   8.056  11.448
  152    HA   ARG  22           HA       ARG  22  37.105   9.829  10.398
  153    HB2  ARG  22           HB2      ARG  22  37.312   7.282  12.019
  154    HB3  ARG  22           HB1      ARG  22  38.691   8.106  11.288
  155    HG2  ARG  22           HG2      ARG  22  38.214  10.126  12.574
  156    HG3  ARG  22           HG1      ARG  22  36.766   9.381  13.249
  157    HD2  ARG  22           HD2      ARG  22  38.598   9.224  14.859
  158    HD3  ARG  22           HD1      ARG  22  38.164   7.618  14.282
  159    HE   ARG  22           HE       ARG  22  40.248   8.659  12.666
  160   HH11  ARG  22          HH21      ARG  22  39.561   7.497  15.851
  161   HH12  ARG  22          HH22      ARG  22  41.166   6.918  16.140
  162   HH21  ARG  22          HH11      ARG  22  42.372   7.893  13.045
  163   HH22  ARG  22          HH12      ARG  22  42.757   7.155  14.564
  164    H    LEU  23           HN       LEU  23  38.154   9.334   8.512
  165    HA   LEU  23           HA       LEU  23  37.584   6.719   7.311
  166    HB2  LEU  23           HB2      LEU  23  37.242   9.366   5.873
  167    HB3  LEU  23           HB1      LEU  23  37.115   7.766   5.142
  168    HG   LEU  23           HG       LEU  23  35.358   7.449   7.162
  169   HD11  LEU  23          HD11      LEU  23  34.847  10.305   6.358
  170   HD12  LEU  23          HD12      LEU  23  35.875   9.943   7.745
  171   HD13  LEU  23          HD13      LEU  23  34.195   9.408   7.728
  172   HD21  LEU  23          HD21      LEU  23  33.584   8.143   5.493
  173   HD22  LEU  23          HD22      LEU  23  34.788   7.023   4.858
  174   HD23  LEU  23          HD23      LEU  23  34.885   8.738   4.463
  175    H    SER  24           HN       SER  24  39.309   5.853   6.380
  176    HA   SER  24           HA       SER  24  41.871   7.130   6.571
  177    HB2  SER  24           HB2      SER  24  40.897   4.479   5.545
  178    HB3  SER  24           HB1      SER  24  42.563   4.986   5.280
  179    HG   SER  24           HG       SER  24  42.304   5.516   7.712
  180    H    HIS  25           HN       HIS  25  43.271   7.680   4.892
  181    HA   HIS  25           HA       HIS  25  42.168   9.075   2.721
  182    HB2  HIS  25           HB2      HIS  25  44.897   8.187   3.521
  183    HB3  HIS  25           HB1      HIS  25  44.669   8.646   1.833
  184    HD2  HIS  25           HD2      HIS  25  45.027  10.327   5.291
  185    HE1  HIS  25           HE1      HIS  25  43.919  13.369   2.581
  186    HE2  HIS  25           HE2      HIS  25  44.747  12.898   4.934
  187    H    GLU  26           HN       GLU  26  43.099   5.780   3.150
  188    HA   GLU  26           HA       GLU  26  43.201   4.987   0.418
  189    HB2  GLU  26           HB2      GLU  26  42.591   3.376   2.914
  190    HB3  GLU  26           HB1      GLU  26  42.927   2.688   1.326
  191    HG2  GLU  26           HG2      GLU  26  44.825   4.501   2.844
  192    HG3  GLU  26           HG1      GLU  26  44.945   2.744   2.803
  193    H    ALA  27           HN       ALA  27  40.638   5.195   2.825
  194    HA   ALA  27           HA       ALA  27  38.598   3.878   1.409
  195    HB1  ALA  27           HB1      ALA  27  37.320   4.450   3.185
  196    HB2  ALA  27           HB2      ALA  27  37.716   6.161   3.030
  197    HB3  ALA  27           HB3      ALA  27  38.817   5.076   3.878
  198    H    LEU  28           HN       LEU  28  39.831   7.128   1.302
  199    HA   LEU  28           HA       LEU  28  37.778   8.284  -0.317
  200    HB2  LEU  28           HB2      LEU  28  40.647   9.100   0.170
  201    HB3  LEU  28           HB1      LEU  28  39.505  10.064  -0.759
  202    HG   LEU  28           HG       LEU  28  39.049   9.168   2.101
  203   HD11  LEU  28          HD11      LEU  28  40.475  10.808   2.680
  204   HD12  LEU  28          HD12      LEU  28  39.332  11.957   1.986
  205   HD13  LEU  28          HD13      LEU  28  40.648  11.322   0.999
  206   HD21  LEU  28          HD21      LEU  28  37.443  11.298   1.757
  207   HD22  LEU  28          HD22      LEU  28  36.913   9.662   1.374
  208   HD23  LEU  28          HD23      LEU  28  37.479  10.728   0.090
  209    H    ARG  29           HN       ARG  29  40.867   6.745  -1.025
  210    HA   ARG  29           HA       ARG  29  40.969   7.343  -3.774
  211    HB2  ARG  29           HB2      ARG  29  42.150   5.039  -2.201
  212    HB3  ARG  29           HB1      ARG  29  42.529   5.375  -3.888
  213    HG2  ARG  29           HG2      ARG  29  43.352   7.619  -3.263
  214    HG3  ARG  29           HG1      ARG  29  42.975   7.280  -1.572
  215    HD2  ARG  29           HD2      ARG  29  44.529   5.378  -1.592
  216    HD3  ARG  29           HD1      ARG  29  44.903   5.685  -3.283
  217    HE   ARG  29           HE       ARG  29  45.790   7.267  -0.986
  218   HH11  ARG  29          HH21      ARG  29  45.433   6.939  -4.415
  219   HH12  ARG  29          HH22      ARG  29  46.701   8.054  -4.790
  220   HH21  ARG  29          HH11      ARG  29  47.448   8.735  -1.470
  221   HH22  ARG  29          HH12      ARG  29  47.861   9.053  -3.122
  222    H    GLN  30           HN       GLN  30  39.420   4.666  -2.028
  223    HA   GLN  30           HA       GLN  30  38.789   3.186  -4.392
  224    HB2  GLN  30           HB2      GLN  30  37.599   3.133  -1.611
  225    HB3  GLN  30           HB1      GLN  30  37.165   2.000  -2.891
  226    HG2  GLN  30           HG2      GLN  30  39.513   1.272  -3.058
  227    HG3  GLN  30           HG1      GLN  30  39.962   2.417  -1.794
  228   HE21  GLN  30          HE21      GLN  30  40.662   0.063  -0.915
  229   HE22  GLN  30          HE22      GLN  30  39.510  -0.682   0.084
  230    H    ILE  31           HN       ILE  31  37.060   5.505  -2.376
  231    HA   ILE  31           HA       ILE  31  34.584   5.330  -3.671
  232    HB   ILE  31           HB       ILE  31  35.865   7.590  -2.123
  233   HG12  ILE  31          HG12      ILE  31  33.673   5.675  -1.296
  234   HG13  ILE  31          HG11      ILE  31  35.378   5.317  -1.026
  235   HG21  ILE  31          HG21      ILE  31  33.226   8.004  -1.842
  236   HG22  ILE  31          HG22      ILE  31  33.217   7.320  -3.466
  237   HG23  ILE  31          HG23      ILE  31  34.159   8.771  -3.127
  238   HD11  ILE  31          HD11      ILE  31  35.546   6.822   0.668
  239   HD12  ILE  31          HD12      ILE  31  33.784   6.734   0.713
  240   HD13  ILE  31          HD13      ILE  31  34.580   8.024  -0.189
  241    H    TYR  32           HN       TYR  32  37.322   7.611  -4.364
  242    HA   TYR  32           HA       TYR  32  35.889   8.995  -6.400
  243    HB2  TYR  32           HB2      TYR  32  37.885   9.981  -5.413
  244    HB3  TYR  32           HB1      TYR  32  38.871   8.649  -6.016
  245    HD1  TYR  32           HD1      TYR  32  36.689  11.482  -7.088
  246    HD2  TYR  32           HD2      TYR  32  39.688   8.627  -8.237
  247    HE1  TYR  32           HE1      TYR  32  36.979  12.653  -9.258
  248    HE2  TYR  32           HE2      TYR  32  39.975   9.798 -10.400
  249    HH   TYR  32           HH       TYR  32  39.517  12.390 -11.155
  250    H    LEU  33           HN       LEU  33  38.235   6.322  -6.527
  251    HA   LEU  33           HA       LEU  33  38.194   5.999  -9.327
  252    HB2  LEU  33           HB2      LEU  33  38.854   4.072  -7.093
  253    HB3  LEU  33           HB1      LEU  33  39.067   3.678  -8.797
  254    HG   LEU  33           HG       LEU  33  40.297   6.105  -7.457
  255   HD11  LEU  33          HD11      LEU  33  41.609   3.462  -8.152
  256   HD12  LEU  33          HD12      LEU  33  41.184   3.978  -6.520
  257   HD13  LEU  33          HD13      LEU  33  42.398   4.869  -7.436
  258   HD21  LEU  33          HD21      LEU  33  40.336   4.948 -10.211
  259   HD22  LEU  33          HD22      LEU  33  41.843   5.623  -9.596
  260   HD23  LEU  33          HD23      LEU  33  40.401   6.631  -9.697
  261    H    SER  34           HN       SER  34  36.202   4.472  -6.779
  262    HA   SER  34           HA       SER  34  34.852   2.661  -8.465
  263    HB2  SER  34           HB2      SER  34  34.726   2.530  -6.016
  264    HB3  SER  34           HB1      SER  34  33.832   4.047  -5.974
  265    HG   SER  34           HG       SER  34  32.340   2.408  -5.968
  266    H    GLY  35           HN       GLY  35  34.316   6.047  -7.708
  267    HA2  GLY  35           HA2      GLY  35  31.801   6.281  -9.059
  268    HA3  GLY  35           HA1      GLY  35  32.830   7.609  -8.531
  269    H    LEU  36           HN       LEU  36  35.156   6.778  -9.887
  270    HA   LEU  36           HA       LEU  36  34.887   8.077 -12.343
  271    HB2  LEU  36           HB2      LEU  36  37.003   7.892 -11.080
  272    HB3  LEU  36           HB1      LEU  36  37.051   6.166 -11.426
  273    HG   LEU  36           HG       LEU  36  37.134   6.663 -13.853
  274   HD11  LEU  36          HD11      LEU  36  36.133   8.696 -14.277
  275   HD12  LEU  36          HD12      LEU  36  37.815   9.222 -14.219
  276   HD13  LEU  36          HD13      LEU  36  36.776   9.438 -12.812
  277   HD21  LEU  36          HD21      LEU  36  39.251   6.370 -12.711
  278   HD22  LEU  36          HD22      LEU  36  39.214   8.033 -12.124
  279   HD23  LEU  36          HD23      LEU  36  39.425   7.709 -13.845
  280    H    HIS  37           HN       HIS  37  34.840   4.651 -11.505
  281    HA   HIS  37           HA       HIS  37  34.788   3.731 -14.238
  282    HB2  HIS  37           HB2      HIS  37  34.645   2.506 -11.538
  283    HB3  HIS  37           HB1      HIS  37  33.878   1.610 -12.850
  284    HD2  HIS  37           HD2      HIS  37  35.665   0.361 -14.601
  285    HE1  HIS  37           HE1      HIS  37  39.205   2.033 -13.022
  286    HE2  HIS  37           HE2      HIS  37  38.276   0.353 -14.685
  287    H    SER  38           HN       SER  38  32.501   4.989 -12.048
  288    HA   SER  38           HA       SER  38  30.157   3.640 -12.968
  289    HB2  SER  38           HB2      SER  38  30.250   6.418 -11.795
  290    HB3  SER  38           HB1      SER  38  28.932   5.256 -11.724
  291    HG   SER  38           HG       SER  38  30.995   4.030 -10.716
  292    H    TRP  39           HN       TRP  39  32.244   5.774 -14.533
  293    HA   TRP  39           HA       TRP  39  30.320   7.325 -15.967
  294    HB2  TRP  39           HB2      TRP  39  32.893   7.715 -15.583
  295    HB3  TRP  39           HB1      TRP  39  33.049   6.755 -17.054
  296    HD1  TRP  39           HD1      TRP  39  31.425   9.996 -15.763
  297    HE1  TRP  39           HE1      TRP  39  31.015  11.562 -17.772
  298    HE3  TRP  39           HE3      TRP  39  32.765   6.892 -19.601
  299    HZ2  TRP  39           HZ2      TRP  39  31.231  11.507 -20.624
  300    HZ3  TRP  39           HZ3      TRP  39  32.652   7.685 -21.951
  301    HH2  TRP  39           HH2      TRP  39  31.886   9.979 -22.465
  302    H    LYS  40           HN       LYS  40  31.916   4.232 -16.496
  303    HA   LYS  40           HA       LYS  40  31.588   2.563 -18.039
  304    HB2  LYS  40           HB2      LYS  40  29.233   2.814 -17.207
  305    HB3  LYS  40           HB1      LYS  40  28.929   3.913 -18.552
  306    HG2  LYS  40           HG2      LYS  40  29.512   2.136 -20.157
  307    HG3  LYS  40           HG1      LYS  40  29.864   1.036 -18.824
  308    HD2  LYS  40           HD2      LYS  40  27.529   1.208 -18.050
  309    HD3  LYS  40           HD1      LYS  40  27.171   2.323 -19.367
  310    HE2  LYS  40           HE2      LYS  40  27.746   0.567 -21.010
  311    HE3  LYS  40           HE1      LYS  40  28.088  -0.553 -19.690
  312    HZ1  LYS  40           HZ1      LYS  40  25.649   0.288 -19.024
  313    HZ2  LYS  40           HZ2      LYS  40  25.936  -1.090 -19.977
  314    HZ3  LYS  40           HZ3      LYS  40  25.540   0.387 -20.714
  315    H    LYS  41           HN       LYS  41  33.319   3.803 -19.223
  316    HA   LYS  41           HA       LYS  41  32.616   5.433 -21.459
  317    HB2  LYS  41           HB2      LYS  41  34.848   5.442 -20.301
  318    HB3  LYS  41           HB1      LYS  41  35.172   3.873 -21.039
  319    HG2  LYS  41           HG2      LYS  41  34.896   4.851 -23.278
  320    HG3  LYS  41           HG1      LYS  41  34.532   6.420 -22.557
  321    HD2  LYS  41           HD2      LYS  41  36.765   6.433 -21.486
  322    HD3  LYS  41           HD1      LYS  41  37.128   4.886 -22.256
  323    HE2  LYS  41           HE2      LYS  41  36.850   5.893 -24.470
  324    HE3  LYS  41           HE1      LYS  41  36.425   7.438 -23.730
  325    HZ1  LYS  41           HZ1      LYS  41  38.605   7.833 -23.899
  326    HZ2  LYS  41           HZ2      LYS  41  39.011   6.190 -24.045
  327    HZ3  LYS  41           HZ3      LYS  41  38.735   6.867 -22.511
  328    H    LYS  42           HN       LYS  42  32.194   4.887 -23.536
  329    HA   LYS  42           HA       LYS  42  31.239   2.383 -24.242
  330    HB2  LYS  42           HB2      LYS  42  32.420   4.566 -25.974
  331    HB3  LYS  42           HB1      LYS  42  31.608   3.141 -26.620
  332    HG2  LYS  42           HG2      LYS  42  29.556   3.725 -25.410
  333    HG3  LYS  42           HG1      LYS  42  30.357   5.124 -24.694
  334    HD2  LYS  42           HD2      LYS  42  30.649   6.141 -26.886
  335    HD3  LYS  42           HD1      LYS  42  29.998   4.704 -27.677
  336    HE2  LYS  42           HE2      LYS  42  28.258   6.426 -27.518
  337    HE3  LYS  42           HE1      LYS  42  27.842   5.055 -26.490
  338    HZ1  LYS  42           HZ1      LYS  42  28.159   7.719 -25.742
  339    HZ2  LYS  42           HZ2      LYS  42  29.432   6.849 -25.028
  340    HZ3  LYS  42           HZ3      LYS  42  27.822   6.389 -24.745
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1  43.183 -16.660  12.085
    2    H2   MET   1           HT2      MET   1  44.715 -17.195  11.574
    3    H3   MET   1           HT3      MET   1  44.087 -17.705  13.068
    4    HA   MET   1           HA       MET   1  43.866 -19.489  11.508
    5    HB2  MET   1           HB2      MET   1  41.294 -18.025  12.136
    6    HB3  MET   1           HB1      MET   1  41.361 -19.683  11.543
    7    HG2  MET   1           HG2      MET   1  42.763 -18.740  14.065
    8    HG3  MET   1           HG1      MET   1  41.183 -19.520  14.058
    9    HE1  MET   1           HE1      MET   1  41.707 -22.191  11.760
   10    HE2  MET   1           HE2      MET   1  40.625 -21.417  12.911
   11    HE3  MET   1           HE3      MET   1  41.432 -22.919  13.346
   12    H    ALA   2           HN       ALA   2  41.751 -16.804  10.419
   13    HA   ALA   2           HA       ALA   2  41.560 -17.814   7.756
   14    HB1  ALA   2           HB1      ALA   2  40.895 -15.080   8.875
   15    HB2  ALA   2           HB2      ALA   2  39.780 -16.434   8.684
   16    HB3  ALA   2           HB3      ALA   2  40.461 -15.647   7.258
   17    H    GLU   3           HN       GLU   3  42.625 -17.309   5.945
   18    HA   GLU   3           HA       GLU   3  45.260 -16.268   6.143
   19    HB2  GLU   3           HB2      GLU   3  43.510 -16.932   3.764
   20    HB3  GLU   3           HB1      GLU   3  45.203 -16.457   3.631
   21    HG2  GLU   3           HG2      GLU   3  45.318 -18.785   3.656
   22    HG3  GLU   3           HG1      GLU   3  45.637 -18.372   5.334
   23    H    ALA   4           HN       ALA   4  42.187 -14.955   5.076
   24    HA   ALA   4           HA       ALA   4  43.213 -12.529   3.979
   25    HB1  ALA   4           HB1      ALA   4  41.072 -12.713   3.245
   26    HB2  ALA   4           HB2      ALA   4  40.675 -11.892   4.755
   27    HB3  ALA   4           HB3      ALA   4  40.570 -13.651   4.651
   28    H    HIS   5           HN       HIS   5  43.228 -10.445   4.893
   29    HA   HIS   5           HA       HIS   5  43.343 -10.440   7.852
   30    HB2  HIS   5           HB2      HIS   5  44.721  -8.568   5.909
   31    HB3  HIS   5           HB1      HIS   5  44.796  -8.470   7.666
   32    HD2  HIS   5           HD2      HIS   5  46.540 -10.385   4.806
   33    HE1  HIS   5           HE1      HIS   5  47.795 -12.152   8.430
   34    HE2  HIS   5           HE2      HIS   5  48.238 -12.020   5.930
   35    H    GLN   6           HN       GLN   6  41.983  -9.217   8.977
   36    HA   GLN   6           HA       GLN   6  39.908  -7.789   7.605
   37    HB2  GLN   6           HB2      GLN   6  40.576  -8.041  10.541
   38    HB3  GLN   6           HB1      GLN   6  39.177  -7.163   9.923
   39    HG2  GLN   6           HG2      GLN   6  38.336  -9.176   8.834
   40    HG3  GLN   6           HG1      GLN   6  39.772 -10.073   9.312
   41   HE21  GLN   6          HE21      GLN   6  37.703 -11.373  10.224
   42   HE22  GLN   6          HE22      GLN   6  37.327 -11.031  11.842
   43    H    ALA   7           HN       ALA   7  39.599  -5.647   7.361
   44    HA   ALA   7           HA       ALA   7  41.585  -3.793   8.487
   45    HB1  ALA   7           HB1      ALA   7  40.755  -3.594   5.596
   46    HB2  ALA   7           HB2      ALA   7  42.142  -4.570   6.080
   47    HB3  ALA   7           HB3      ALA   7  42.133  -2.840   6.405
   48    H    VAL   8           HN       VAL   8  40.863  -1.674   8.719
   49    HA   VAL   8           HA       VAL   8  37.964  -1.241   8.291
   50    HB   VAL   8           HB       VAL   8  39.711  -0.454  10.631
   51   HG11  VAL   8          HG11      VAL   8  38.472   1.453  10.599
   52   HG12  VAL   8          HG12      VAL   8  37.221   0.421  11.289
   53   HG13  VAL   8          HG13      VAL   8  37.228   0.754   9.559
   54   HG21  VAL   8          HG21      VAL   8  38.082  -2.684  10.145
   55   HG22  VAL   8          HG22      VAL   8  37.110  -1.642  11.182
   56   HG23  VAL   8          HG23      VAL   8  38.708  -2.163  11.712
   57    H    ALA   9           HN       ALA   9  37.474   0.575   7.143
   58    HA   ALA   9           HA       ALA   9  39.629   2.574   6.768
   59    HB1  ALA   9           HB1      ALA   9  39.094   1.175   4.757
   60    HB2  ALA   9           HB2      ALA   9  38.880   2.909   4.517
   61    HB3  ALA   9           HB3      ALA   9  37.477   1.873   4.774
   62    H    PHE  10           HN       PHE  10  36.359   2.009   7.691
   63    HA   PHE  10           HA       PHE  10  36.000   4.901   8.039
   64    HB2  PHE  10           HB2      PHE  10  33.453   4.212   7.592
   65    HB3  PHE  10           HB1      PHE  10  34.523   4.749   6.318
   66    HD1  PHE  10           HD1      PHE  10  34.799   1.356   7.884
   67    HD2  PHE  10           HD2      PHE  10  33.425   3.658   4.536
   68    HE1  PHE  10           HE1      PHE  10  34.479  -0.723   6.603
   69    HE2  PHE  10           HE2      PHE  10  33.080   1.568   3.258
   70    HZ   PHE  10           HZ       PHE  10  33.609  -0.622   4.286
   71    H    GLN  11           HN       GLN  11  35.358   5.496  10.060
   72    HA   GLN  11           HA       GLN  11  34.041   3.429  11.746
   73    HB2  GLN  11           HB2      GLN  11  36.344   5.206  12.555
   74    HB3  GLN  11           HB1      GLN  11  35.369   4.279  13.692
   75    HG2  GLN  11           HG2      GLN  11  36.000   2.195  12.503
   76    HG3  GLN  11           HG1      GLN  11  37.005   3.138  11.404
   77   HE21  GLN  11          HE21      GLN  11  38.690   1.546  12.479
   78   HE22  GLN  11          HE22      GLN  11  39.451   2.113  13.888
   79    H    PHE  12           HN       PHE  12  32.356   4.099  12.935
   80    HA   PHE  12           HA       PHE  12  31.868   7.011  13.094
   81    HB2  PHE  12           HB2      PHE  12  30.300   6.293  11.510
   82    HB3  PHE  12           HB1      PHE  12  30.064   4.741  12.297
   83    HD1  PHE  12           HD1      PHE  12  30.038   7.994  14.130
   84    HD2  PHE  12           HD2      PHE  12  27.689   4.837  12.397
   85    HE1  PHE  12           HE1      PHE  12  28.040   8.810  15.338
   86    HE2  PHE  12           HE2      PHE  12  25.693   5.669  13.589
   87    HZ   PHE  12           HZ       PHE  12  25.864   7.657  15.056
   88    H    THR  13           HN       THR  13  31.766   7.659  15.179
   89    HA   THR  13           HA       THR  13  30.876   5.710  17.237
   90    HB   THR  13           HB       THR  13  32.523   7.309  18.633
   91    HG1  THR  13           HG1      THR  13  33.320   7.314  15.937
   92   HG21  THR  13          HG21      THR  13  34.252   5.545  18.318
   93   HG22  THR  13          HG22      THR  13  33.325   4.912  16.959
   94   HG23  THR  13          HG23      THR  13  32.644   4.861  18.584
   95    H    VAL  14           HN       VAL  14  29.251   6.350  18.510
   96    HA   VAL  14           HA       VAL  14  28.425   9.162  18.383
   97    HB   VAL  14           HB       VAL  14  26.743   7.454  17.867
   98   HG11  VAL  14          HG11      VAL  14  26.282   5.669  19.206
   99   HG12  VAL  14          HG12      VAL  14  26.557   6.577  20.691
  100   HG13  VAL  14          HG13      VAL  14  27.924   5.942  19.780
  101   HG21  VAL  14          HG21      VAL  14  26.199   8.830  20.521
  102   HG22  VAL  14          HG22      VAL  14  24.997   8.321  19.336
  103   HG23  VAL  14          HG23      VAL  14  26.117   9.628  18.951
  104    H    THR  15           HN       THR  15  28.762  10.544  20.029
  105    HA   THR  15           HA       THR  15  29.315   9.391  22.699
  106    HB   THR  15           HB       THR  15  31.358  10.341  22.532
  107    HG1  THR  15           HG1      THR  15  31.378  12.463  23.071
  108   HG21  THR  15          HG21      THR  15  31.290  10.384  20.129
  109   HG22  THR  15          HG22      THR  15  31.872  11.966  20.652
  110   HG23  THR  15          HG23      THR  15  30.199  11.772  20.131
  111    HA   PRO  16           HA       PRO  16  26.070  11.908  24.386
  112    HB2  PRO  16           HB2      PRO  16  28.054  13.245  26.168
  113    HB3  PRO  16           HB1      PRO  16  26.551  12.405  26.592
  114    HG2  PRO  16           HG2      PRO  16  28.982  11.331  27.007
  115    HG3  PRO  16           HG1      PRO  16  27.546  10.362  26.641
  116    HD2  PRO  16           HD2      PRO  16  29.884  10.957  24.912
  117    HD3  PRO  16           HD1      PRO  16  28.739   9.602  24.851
  118    H    ASP  17           HN       ASP  17  29.185  13.525  23.696
  119    HA   ASP  17           HA       ASP  17  28.037  16.133  23.455
  120    HB2  ASP  17           HB2      ASP  17  30.718  14.943  22.793
  121    HB3  ASP  17           HB1      ASP  17  30.330  16.617  22.393
  122    H    GLY  18           HN       GLY  18  28.301  13.446  21.184
  123    HA2  GLY  18           HA2      GLY  18  26.694  14.547  19.272
  124    HA3  GLY  18           HA1      GLY  18  28.288  15.180  18.864
  125    H    ILE  19           HN       ILE  19  28.744  14.057  17.024
  126    HA   ILE  19           HA       ILE  19  29.018  11.141  17.295
  127    HB   ILE  19           HB       ILE  19  28.350  11.056  14.848
  128   HG12  ILE  19          HG12      ILE  19  27.224  13.797  15.470
  129   HG13  ILE  19          HG11      ILE  19  28.690  13.532  14.521
  130   HG21  ILE  19          HG21      ILE  19  26.183  12.080  16.697
  131   HG22  ILE  19          HG22      ILE  19  26.845  10.450  16.803
  132   HG23  ILE  19          HG23      ILE  19  25.988  10.961  15.349
  133   HD11  ILE  19          HD11      ILE  19  26.888  13.760  12.950
  134   HD12  ILE  19          HD12      ILE  19  25.880  12.629  13.856
  135   HD13  ILE  19          HD13      ILE  19  27.308  12.048  12.996
  136    H    ASP  20           HN       ASP  20  30.735  10.300  16.109
  137    HA   ASP  20           HA       ASP  20  32.607  12.263  14.905
  138    HB2  ASP  20           HB2      ASP  20  33.324  11.473  17.194
  139    HB3  ASP  20           HB1      ASP  20  33.479   9.863  16.502
  140    H    LEU  21           HN       LEU  21  33.614  11.636  13.016
  141    HA   LEU  21           HA       LEU  21  33.156   8.878  12.117
  142    HB2  LEU  21           HB2      LEU  21  32.611  11.343  10.438
  143    HB3  LEU  21           HB1      LEU  21  32.458   9.671   9.909
  144    HG   LEU  21           HG       LEU  21  30.867   9.617  12.108
  145   HD11  LEU  21          HD11      LEU  21  31.337  12.125  12.329
  146   HD12  LEU  21          HD12      LEU  21  29.637  11.648  12.323
  147   HD13  LEU  21          HD13      LEU  21  30.369  12.328  10.870
  148   HD21  LEU  21          HD21      LEU  21  30.202  10.440   9.264
  149   HD22  LEU  21          HD22      LEU  21  28.979   9.979  10.450
  150   HD23  LEU  21          HD23      LEU  21  30.194   8.807   9.932
  151    H    ARG  22           HN       ARG  22  35.008   8.056  11.554
  152    HA   ARG  22           HA       ARG  22  37.159   9.848  10.574
  153    HB2  ARG  22           HB2      ARG  22  37.311   7.258  12.109
  154    HB3  ARG  22           HB1      ARG  22  38.699   7.959  11.290
  155    HG2  ARG  22           HG2      ARG  22  38.461  10.019  12.611
  156    HG3  ARG  22           HG1      ARG  22  37.037   9.353  13.419
  157    HD2  ARG  22           HD2      ARG  22  38.419   7.504  14.299
  158    HD3  ARG  22           HD1      ARG  22  39.833   8.192  13.502
  159    HE   ARG  22           HE       ARG  22  39.909   9.859  15.134
  160   HH11  ARG  22          HH21      ARG  22  37.000   7.992  15.345
  161   HH12  ARG  22          HH22      ARG  22  36.529   8.652  16.875
  162   HH21  ARG  22          HH11      ARG  22  39.281  10.737  17.123
  163   HH22  ARG  22          HH12      ARG  22  37.809  10.214  17.874
  164    H    LEU  23           HN       LEU  23  38.155   9.425   8.647
  165    HA   LEU  23           HA       LEU  23  37.395   6.941   7.263
  166    HB2  LEU  23           HB2      LEU  23  37.307   9.743   6.095
  167    HB3  LEU  23           HB1      LEU  23  37.102   8.260   5.176
  168    HG   LEU  23           HG       LEU  23  35.318   9.138   7.472
  169   HD11  LEU  23          HD11      LEU  23  33.663   9.457   5.545
  170   HD12  LEU  23          HD12      LEU  23  35.059   9.395   4.472
  171   HD13  LEU  23          HD13      LEU  23  34.939  10.662   5.693
  172   HD21  LEU  23          HD21      LEU  23  35.549   6.695   5.832
  173   HD22  LEU  23          HD22      LEU  23  33.911   7.343   5.944
  174   HD23  LEU  23          HD23      LEU  23  34.796   6.921   7.409
  175    H    SER  24           HN       SER  24  39.090   6.035   6.300
  176    HA   SER  24           HA       SER  24  41.722   7.195   6.538
  177    HB2  SER  24           HB2      SER  24  42.530   5.083   6.049
  178    HB3  SER  24           HB1      SER  24  40.956   4.682   6.721
  179    HG   SER  24           HG       SER  24  40.158   4.531   4.598
  180    H    HIS  25           HN       HIS  25  43.085   7.789   4.909
  181    HA   HIS  25           HA       HIS  25  42.051   9.140   2.686
  182    HB2  HIS  25           HB2      HIS  25  44.817   8.098   3.306
  183    HB3  HIS  25           HB1      HIS  25  44.469   9.080   1.888
  184    HD2  HIS  25           HD2      HIS  25  43.900  11.827   2.465
  185    HE1  HIS  25           HE1      HIS  25  44.765  11.559   6.589
  186    HE2  HIS  25           HE2      HIS  25  44.287  13.160   4.678
  187    H    GLU  26           HN       GLU  26  42.999   5.862   3.189
  188    HA   GLU  26           HA       GLU  26  43.203   5.046   0.471
  189    HB2  GLU  26           HB2      GLU  26  42.624   3.490   3.000
  190    HB3  GLU  26           HB1      GLU  26  42.856   2.738   1.421
  191    HG2  GLU  26           HG2      GLU  26  45.102   3.745   1.264
  192    HG3  GLU  26           HG1      GLU  26  44.874   4.500   2.845
  193    H    ALA  27           HN       ALA  27  40.523   5.288   2.762
  194    HA   ALA  27           HA       ALA  27  38.597   3.876   1.251
  195    HB1  ALA  27           HB1      ALA  27  37.360   4.299   3.075
  196    HB2  ALA  27           HB2      ALA  27  37.313   6.010   2.648
  197    HB3  ALA  27           HB3      ALA  27  38.609   5.393   3.670
  198    H    LEU  28           HN       LEU  28  39.784   7.150   1.157
  199    HA   LEU  28           HA       LEU  28  37.791   8.230  -0.583
  200    HB2  LEU  28           HB2      LEU  28  40.628   9.098   0.008
  201    HB3  LEU  28           HB1      LEU  28  39.520  10.025  -1.002
  202    HG   LEU  28           HG       LEU  28  38.852   9.171   1.833
  203   HD11  LEU  28          HD11      LEU  28  39.255  11.950   1.733
  204   HD12  LEU  28          HD12      LEU  28  40.642  11.247   0.902
  205   HD13  LEU  28          HD13      LEU  28  40.263  10.763   2.557
  206   HD21  LEU  28          HD21      LEU  28  37.385  10.496  -0.306
  207   HD22  LEU  28          HD22      LEU  28  37.538  11.558   1.091
  208   HD23  LEU  28          HD23      LEU  28  36.806   9.963   1.273
  209    H    ARG  29           HN       ARG  29  40.902   6.681  -1.100
  210    HA   ARG  29           HA       ARG  29  41.125   7.138  -3.854
  211    HB2  ARG  29           HB2      ARG  29  42.969   6.265  -2.446
  212    HB3  ARG  29           HB1      ARG  29  42.102   4.740  -2.277
  213    HG2  ARG  29           HG2      ARG  29  42.182   4.450  -4.753
  214    HG3  ARG  29           HG1      ARG  29  43.116   5.939  -4.880
  215    HD2  ARG  29           HD2      ARG  29  43.949   3.547  -3.229
  216    HD3  ARG  29           HD1      ARG  29  44.517   3.857  -4.867
  217    HE   ARG  29           HE       ARG  29  45.340   5.250  -2.461
  218   HH11  ARG  29          HH21      ARG  29  44.952   5.355  -5.888
  219   HH12  ARG  29          HH22      ARG  29  46.228   6.497  -6.145
  220   HH21  ARG  29          HH11      ARG  29  47.043   6.735  -2.784
  221   HH22  ARG  29          HH12      ARG  29  47.414   7.276  -4.384
  222    H    GLN  30           HN       GLN  30  39.501   4.490  -2.104
  223    HA   GLN  30           HA       GLN  30  38.853   3.042  -4.473
  224    HB2  GLN  30           HB2      GLN  30  37.635   2.999  -1.705
  225    HB3  GLN  30           HB1      GLN  30  37.182   1.889  -3.000
  226    HG2  GLN  30           HG2      GLN  30  39.458   1.060  -3.151
  227    HG3  GLN  30           HG1      GLN  30  40.000   2.245  -1.960
  228   HE21  GLN  30          HE21      GLN  30  40.652  -0.083  -0.981
  229   HE22  GLN  30          HE22      GLN  30  39.505  -0.744   0.085
  230    H    ILE  31           HN       ILE  31  37.139   5.386  -2.481
  231    HA   ILE  31           HA       ILE  31  34.681   5.225  -3.816
  232    HB   ILE  31           HB       ILE  31  35.955   7.484  -2.269
  233   HG12  ILE  31          HG12      ILE  31  33.677   5.635  -1.510
  234   HG13  ILE  31          HG11      ILE  31  35.360   5.256  -1.143
  235   HG21  ILE  31          HG21      ILE  31  33.367   7.262  -3.744
  236   HG22  ILE  31          HG22      ILE  31  34.361   8.684  -3.431
  237   HG23  ILE  31          HG23      ILE  31  33.325   8.034  -2.159
  238   HD11  ILE  31          HD11      ILE  31  33.765   6.640   0.548
  239   HD12  ILE  31          HD12      ILE  31  34.433   7.980  -0.386
  240   HD13  ILE  31          HD13      ILE  31  35.515   6.877   0.468
  241    H    TYR  32           HN       TYR  32  37.419   7.498  -4.440
  242    HA   TYR  32           HA       TYR  32  36.080   8.958  -6.450
  243    HB2  TYR  32           HB2      TYR  32  38.112   9.798  -5.451
  244    HB3  TYR  32           HB1      TYR  32  39.023   8.405  -6.034
  245    HD1  TYR  32           HD1      TYR  32  36.923  11.267  -7.254
  246    HD2  TYR  32           HD2      TYR  32  40.081   8.485  -8.142
  247    HE1  TYR  32           HE1      TYR  32  37.390  12.466  -9.379
  248    HE2  TYR  32           HE2      TYR  32  40.550   9.696 -10.257
  249    HH   TYR  32           HH       TYR  32  40.105  11.497 -11.474
  250    H    LEU  33           HN       LEU  33  38.308   6.168  -6.739
  251    HA   LEU  33           HA       LEU  33  38.145   6.004  -9.554
  252    HB2  LEU  33           HB2      LEU  33  38.870   3.945  -7.474
  253    HB3  LEU  33           HB1      LEU  33  38.952   3.629  -9.204
  254    HG   LEU  33           HG       LEU  33  40.351   5.969  -7.874
  255   HD11  LEU  33          HD11      LEU  33  41.052   3.143  -7.920
  256   HD12  LEU  33          HD12      LEU  33  41.819   4.473  -7.053
  257   HD13  LEU  33          HD13      LEU  33  42.275   4.127  -8.719
  258   HD21  LEU  33          HD21      LEU  33  40.627   6.589 -10.029
  259   HD22  LEU  33          HD22      LEU  33  39.983   5.068 -10.633
  260   HD23  LEU  33          HD23      LEU  33  41.689   5.194 -10.202
  261    H    SER  34           HN       SER  34  36.205   4.395  -7.023
  262    HA   SER  34           HA       SER  34  34.776   2.648  -8.695
  263    HB2  SER  34           HB2      SER  34  34.674   2.548  -6.243
  264    HB3  SER  34           HB1      SER  34  33.846   4.099  -6.209
  265    HG   SER  34           HG       SER  34  32.176   2.770  -6.251
  266    H    GLY  35           HN       GLY  35  34.304   6.033  -7.894
  267    HA2  GLY  35           HA2      GLY  35  31.796   6.348  -9.222
  268    HA3  GLY  35           HA1      GLY  35  32.873   7.645  -8.706
  269    H    LEU  36           HN       LEU  36  35.159   6.799 -10.117
  270    HA   LEU  36           HA       LEU  36  34.800   8.102 -12.561
  271    HB2  LEU  36           HB2      LEU  36  36.979   7.871 -11.399
  272    HB3  LEU  36           HB1      LEU  36  36.992   6.161 -11.826
  273    HG   LEU  36           HG       LEU  36  36.908   6.772 -14.238
  274   HD11  LEU  36          HD11      LEU  36  35.956   8.848 -14.534
  275   HD12  LEU  36          HD12      LEU  36  37.653   9.324 -14.531
  276   HD13  LEU  36          HD13      LEU  36  36.689   9.511 -13.069
  277   HD21  LEU  36          HD21      LEU  36  39.072   6.392 -13.138
  278   HD22  LEU  36          HD22      LEU  36  39.142   8.092 -12.670
  279   HD23  LEU  36          HD23      LEU  36  39.214   7.643 -14.373
  280    H    HIS  37           HN       HIS  37  34.772   4.663 -11.737
  281    HA   HIS  37           HA       HIS  37  34.671   3.776 -14.471
  282    HB2  HIS  37           HB2      HIS  37  34.137   2.331 -11.856
  283    HB3  HIS  37           HB1      HIS  37  34.095   1.549 -13.438
  284    HD2  HIS  37           HD2      HIS  37  36.685   2.306 -10.756
  285    HE1  HIS  37           HE1      HIS  37  38.862   1.900 -14.348
  286    HE2  HIS  37           HE2      HIS  37  39.052   2.028 -11.822
  287    H    SER  38           HN       SER  38  32.419   5.072 -12.301
  288    HA   SER  38           HA       SER  38  30.060   3.738 -13.185
  289    HB2  SER  38           HB2      SER  38  30.228   6.536 -12.073
  290    HB3  SER  38           HB1      SER  38  28.882   5.405 -11.958
  291    HG   SER  38           HG       SER  38  31.320   4.528 -10.971
  292    H    TRP  39           HN       TRP  39  32.181   5.785 -14.857
  293    HA   TRP  39           HA       TRP  39  30.104   7.185 -16.323
  294    HB2  TRP  39           HB2      TRP  39  33.109   7.158 -16.460
  295    HB3  TRP  39           HB1      TRP  39  32.146   7.863 -17.766
  296    HD1  TRP  39           HD1      TRP  39  33.047   8.367 -14.093
  297    HE1  TRP  39           HE1      TRP  39  32.256  10.715 -13.367
  298    HE3  TRP  39           HE3      TRP  39  30.414   9.744 -18.250
  299    HZ2  TRP  39           HZ2      TRP  39  30.733  12.889 -14.416
  300    HZ3  TRP  39           HZ3      TRP  39  29.306  11.961 -18.367
  301    HH2  TRP  39           HH2      TRP  39  29.461  13.538 -16.450
  302    H    LYS  40           HN       LYS  40  31.707   4.190 -16.454
  303    HA   LYS  40           HA       LYS  40  31.673   2.464 -17.968
  304    HB2  LYS  40           HB2      LYS  40  29.213   2.875 -17.682
  305    HB3  LYS  40           HB1      LYS  40  29.274   3.921 -19.100
  306    HG2  LYS  40           HG2      LYS  40  30.100   2.046 -20.471
  307    HG3  LYS  40           HG1      LYS  40  30.065   0.991 -19.058
  308    HD2  LYS  40           HD2      LYS  40  27.626   1.314 -18.863
  309    HD3  LYS  40           HD1      LYS  40  27.657   2.380 -20.268
  310    HE2  LYS  40           HE2      LYS  40  26.974   0.148 -20.979
  311    HE3  LYS  40           HE1      LYS  40  28.568   0.507 -21.635
  312    HZ1  LYS  40           HZ1      LYS  40  27.811  -1.607 -19.969
  313    HZ2  LYS  40           HZ2      LYS  40  28.904  -0.629 -19.110
  314    HZ3  LYS  40           HZ3      LYS  40  29.340  -1.274 -20.622
  315    H    LYS  41           HN       LYS  41  33.678   3.464 -18.802
  316    HA   LYS  41           HA       LYS  41  33.659   5.120 -21.122
  317    HB2  LYS  41           HB2      LYS  41  35.584   4.926 -19.561
  318    HB3  LYS  41           HB1      LYS  41  35.851   3.279 -20.136
  319    HG2  LYS  41           HG2      LYS  41  36.203   4.114 -22.424
  320    HG3  LYS  41           HG1      LYS  41  35.899   5.766 -21.880
  321    HD2  LYS  41           HD2      LYS  41  37.829   5.586 -20.328
  322    HD3  LYS  41           HD1      LYS  41  38.139   3.961 -20.937
  323    HE2  LYS  41           HE2      LYS  41  38.490   4.846 -23.199
  324    HE3  LYS  41           HE1      LYS  41  38.141   6.477 -22.627
  325    HZ1  LYS  41           HZ1      LYS  41  40.469   6.270 -22.640
  326    HZ2  LYS  41           HZ2      LYS  41  40.426   4.746 -21.887
  327    HZ3  LYS  41           HZ3      LYS  41  40.013   6.140 -21.012
  328    H    LYS  42           HN       LYS  42  33.540   4.612 -23.243
  329    HA   LYS  42           HA       LYS  42  34.054   1.885 -24.132
  330    HB2  LYS  42           HB2      LYS  42  31.666   1.857 -23.509
  331    HB3  LYS  42           HB1      LYS  42  31.376   3.206 -24.604
  332    HG2  LYS  42           HG2      LYS  42  32.133   1.854 -26.508
  333    HG3  LYS  42           HG1      LYS  42  32.489   0.508 -25.424
  334    HD2  LYS  42           HD2      LYS  42  30.120   0.400 -24.770
  335    HD3  LYS  42           HD1      LYS  42  29.759   1.750 -25.843
  336    HE2  LYS  42           HE2      LYS  42  29.211  -0.359 -26.951
  337    HE3  LYS  42           HE1      LYS  42  30.563   0.414 -27.775
  338    HZ1  LYS  42           HZ1      LYS  42  32.077  -1.088 -26.847
  339    HZ2  LYS  42           HZ2      LYS  42  30.745  -2.062 -27.251
  340    HZ3  LYS  42           HZ3      LYS  42  30.998  -1.593 -25.642
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1  51.202  -3.815  22.739
    2    H2   MET   1           HT2      MET   1  52.236  -2.545  23.187
    3    H3   MET   1           HT3      MET   1  51.606  -3.587  24.371
    4    HA   MET   1           HA       MET   1  54.041  -3.845  23.333
    5    HB2  MET   1           HB2      MET   1  52.126  -5.987  24.304
    6    HB3  MET   1           HB1      MET   1  53.862  -6.243  24.108
    7    HG2  MET   1           HG2      MET   1  54.291  -4.351  25.661
    8    HG3  MET   1           HG1      MET   1  52.554  -4.169  25.895
    9    HE1  MET   1           HE1      MET   1  51.354  -7.037  27.868
   10    HE2  MET   1           HE2      MET   1  51.445  -7.297  26.130
   11    HE3  MET   1           HE3      MET   1  51.039  -5.701  26.752
   12    H    ALA   2           HN       ALA   2  51.764  -6.420  22.456
   13    HA   ALA   2           HA       ALA   2  52.611  -6.177  19.635
   14    HB1  ALA   2           HB1      ALA   2  54.009  -7.927  20.339
   15    HB2  ALA   2           HB2      ALA   2  52.610  -8.771  19.674
   16    HB3  ALA   2           HB3      ALA   2  52.786  -8.594  21.420
   17    H    GLU   3           HN       GLU   3  50.135  -5.575  21.245
   18    HA   GLU   3           HA       GLU   3  48.131  -7.481  20.631
   19    HB2  GLU   3           HB2      GLU   3  47.954  -4.510  21.191
   20    HB3  GLU   3           HB1      GLU   3  46.569  -5.597  21.127
   21    HG2  GLU   3           HG2      GLU   3  47.043  -5.568  23.414
   22    HG3  GLU   3           HG1      GLU   3  47.926  -6.998  22.890
   23    H    ALA   4           HN       ALA   4  46.870  -7.774  18.866
   24    HA   ALA   4           HA       ALA   4  47.664  -6.722  16.352
   25    HB1  ALA   4           HB1      ALA   4  45.486  -8.477  17.353
   26    HB2  ALA   4           HB2      ALA   4  46.597  -8.715  16.005
   27    HB3  ALA   4           HB3      ALA   4  45.195  -7.661  15.817
   28    H    HIS   5           HN       HIS   5  46.743  -5.158  15.049
   29    HA   HIS   5           HA       HIS   5  44.830  -3.339  16.388
   30    HB2  HIS   5           HB2      HIS   5  47.005  -2.785  14.361
   31    HB3  HIS   5           HB1      HIS   5  45.778  -1.604  14.812
   32    HD2  HIS   5           HD2      HIS   5  48.943  -3.327  16.397
   33    HE1  HIS   5           HE1      HIS   5  47.633  -0.292  19.025
   34    HE2  HIS   5           HE2      HIS   5  49.488  -1.963  18.556
   35    H    GLN   6           HN       GLN   6  42.961  -2.823  15.377
   36    HA   GLN   6           HA       GLN   6  42.510  -3.980  12.685
   37    HB2  GLN   6           HB2      GLN   6  40.555  -3.550  14.960
   38    HB3  GLN   6           HB1      GLN   6  40.115  -4.103  13.344
   39    HG2  GLN   6           HG2      GLN   6  41.566  -6.070  13.602
   40    HG3  GLN   6           HG1      GLN   6  42.051  -5.512  15.202
   41   HE21  GLN   6          HE21      GLN   6  39.830  -7.503  13.601
   42   HE22  GLN   6          HE22      GLN   6  38.685  -7.646  14.846
   43    H    ALA   7           HN       ALA   7  42.032  -2.585  11.114
   44    HA   ALA   7           HA       ALA   7  41.022   0.095  11.850
   45    HB1  ALA   7           HB1      ALA   7  42.929   0.973  11.061
   46    HB2  ALA   7           HB2      ALA   7  42.449   0.400   9.464
   47    HB3  ALA   7           HB3      ALA   7  43.483  -0.598  10.484
   48    H    VAL   8           HN       VAL   8  39.669   1.085  10.323
   49    HA   VAL   8           HA       VAL   8  38.637  -0.696   8.202
   50    HB   VAL   8           HB       VAL   8  36.357   0.061   8.742
   51   HG11  VAL   8          HG11      VAL   8  37.522  -0.901  11.339
   52   HG12  VAL   8          HG12      VAL   8  37.613  -1.933   9.912
   53   HG13  VAL   8          HG13      VAL   8  36.043  -1.411  10.524
   54   HG21  VAL   8          HG21      VAL   8  37.885   1.716  10.713
   55   HG22  VAL   8          HG22      VAL   8  36.294   1.127  11.187
   56   HG23  VAL   8          HG23      VAL   8  36.468   2.141   9.754
   57    H    ALA   9           HN       ALA   9  37.336   0.510   6.567
   58    HA   ALA   9           HA       ALA   9  38.816   2.780   5.623
   59    HB1  ALA   9           HB1      ALA   9  36.210   2.428   4.371
   60    HB2  ALA   9           HB2      ALA   9  37.112   0.917   4.457
   61    HB3  ALA   9           HB3      ALA   9  37.819   2.323   3.660
   62    H    PHE  10           HN       PHE  10  35.691   2.292   7.192
   63    HA   PHE  10           HA       PHE  10  35.638   5.160   7.769
   64    HB2  PHE  10           HB2      PHE  10  33.428   5.519   7.077
   65    HB3  PHE  10           HB1      PHE  10  34.196   4.662   5.752
   66    HD1  PHE  10           HD1      PHE  10  34.046   1.822   7.192
   67    HD2  PHE  10           HD2      PHE  10  31.199   4.960   6.483
   68    HE1  PHE  10           HE1      PHE  10  32.209   0.179   7.286
   69    HE2  PHE  10           HE2      PHE  10  29.363   3.304   6.574
   70    HZ   PHE  10           HZ       PHE  10  29.866   0.916   6.973
   71    H    GLN  11           HN       GLN  11  35.031   5.698   9.787
   72    HA   GLN  11           HA       GLN  11  33.700   3.624  11.432
   73    HB2  GLN  11           HB2      GLN  11  36.125   3.694  11.950
   74    HB3  GLN  11           HB1      GLN  11  35.957   5.395  12.370
   75    HG2  GLN  11           HG2      GLN  11  34.399   4.861  14.157
   76    HG3  GLN  11           HG1      GLN  11  34.393   3.163  13.686
   77   HE21  GLN  11          HE21      GLN  11  35.172   3.932  16.328
   78   HE22  GLN  11          HE22      GLN  11  36.831   3.622  16.509
   79    H    PHE  12           HN       PHE  12  32.101   4.281  12.726
   80    HA   PHE  12           HA       PHE  12  31.670   7.186  13.018
   81    HB2  PHE  12           HB2      PHE  12  30.097   6.564  11.403
   82    HB3  PHE  12           HB1      PHE  12  29.818   4.993  12.134
   83    HD1  PHE  12           HD1      PHE  12  29.882   8.162  14.097
   84    HD2  PHE  12           HD2      PHE  12  27.438   5.166  12.221
   85    HE1  PHE  12           HE1      PHE  12  27.905   9.018  15.310
   86    HE2  PHE  12           HE2      PHE  12  25.456   6.034  13.429
   87    HZ   PHE  12           HZ       PHE  12  25.689   7.959  14.972
   88    H    THR  13           HN       THR  13  31.623   7.717  15.153
   89    HA   THR  13           HA       THR  13  30.598   5.706  17.070
   90    HB   THR  13           HB       THR  13  32.336   6.849  18.652
   91    HG1  THR  13           HG1      THR  13  33.074   7.634  16.093
   92   HG21  THR  13          HG21      THR  13  34.057   5.176  17.836
   93   HG22  THR  13          HG22      THR  13  32.977   4.843  16.482
   94   HG23  THR  13          HG23      THR  13  32.451   4.508  18.132
   95    H    VAL  14           HN       VAL  14  29.141   6.358  18.496
   96    HA   VAL  14           HA       VAL  14  28.380   9.194  18.475
   97    HB   VAL  14           HB       VAL  14  26.968   6.766  19.609
   98   HG11  VAL  14          HG11      VAL  14  25.127   8.804  19.256
   99   HG12  VAL  14          HG12      VAL  14  26.545   9.656  19.867
  100   HG13  VAL  14          HG13      VAL  14  25.846   8.330  20.796
  101   HG21  VAL  14          HG21      VAL  14  25.981   8.387  17.290
  102   HG22  VAL  14          HG22      VAL  14  25.722   6.681  17.652
  103   HG23  VAL  14          HG23      VAL  14  27.272   7.219  17.006
  104    H    THR  15           HN       THR  15  28.934  10.519  20.143
  105    HA   THR  15           HA       THR  15  29.650   9.233  22.717
  106    HB   THR  15           HB       THR  15  31.631  10.278  22.599
  107    HG1  THR  15           HG1      THR  15  30.166  12.667  22.169
  108   HG21  THR  15          HG21      THR  15  31.409  10.067  20.156
  109   HG22  THR  15          HG22      THR  15  32.262  11.550  20.584
  110   HG23  THR  15          HG23      THR  15  30.569  11.619  20.096
  111    HA   PRO  16           HA       PRO  16  26.535  11.637  24.648
  112    HB2  PRO  16           HB2      PRO  16  27.935  12.812  26.760
  113    HB3  PRO  16           HB1      PRO  16  27.249  11.178  26.786
  114    HG2  PRO  16           HG2      PRO  16  30.048  12.049  26.292
  115    HG3  PRO  16           HG1      PRO  16  29.442  10.616  27.141
  116    HD2  PRO  16           HD2      PRO  16  30.445  10.466  24.628
  117    HD3  PRO  16           HD1      PRO  16  29.109   9.420  25.167
  118    H    ASP  17           HN       ASP  17  29.616  13.171  23.833
  119    HA   ASP  17           HA       ASP  17  28.515  15.842  23.985
  120    HB2  ASP  17           HB2      ASP  17  31.161  14.747  23.037
  121    HB3  ASP  17           HB1      ASP  17  30.745  16.459  22.981
  122    H    GLY  18           HN       GLY  18  28.580  13.314  21.559
  123    HA2  GLY  18           HA2      GLY  18  26.959  14.555  19.767
  124    HA3  GLY  18           HA1      GLY  18  28.548  15.167  19.328
  125    H    ILE  19           HN       ILE  19  28.907  14.135  17.411
  126    HA   ILE  19           HA       ILE  19  29.090  11.204  17.488
  127    HB   ILE  19           HB       ILE  19  28.376  11.315  15.046
  128   HG12  ILE  19          HG12      ILE  19  27.310  14.014  15.914
  129   HG13  ILE  19          HG11      ILE  19  28.709  13.794  14.862
  130   HG21  ILE  19          HG21      ILE  19  26.902  10.569  16.974
  131   HG22  ILE  19          HG22      ILE  19  26.031  11.197  15.575
  132   HG23  ILE  19          HG23      ILE  19  26.249  12.208  17.003
  133   HD11  ILE  19          HD11      ILE  19  27.173  12.406  13.356
  134   HD12  ILE  19          HD12      ILE  19  26.864  14.143  13.396
  135   HD13  ILE  19          HD13      ILE  19  25.835  13.042  14.313
  136    H    ASP  20           HN       ASP  20  30.693  10.380  16.185
  137    HA   ASP  20           HA       ASP  20  32.642  12.307  15.066
  138    HB2  ASP  20           HB2      ASP  20  33.452  11.464  17.241
  139    HB3  ASP  20           HB1      ASP  20  33.297   9.816  16.644
  140    H    LEU  21           HN       LEU  21  33.520  11.745  13.112
  141    HA   LEU  21           HA       LEU  21  32.944   9.051  12.103
  142    HB2  LEU  21           HB2      LEU  21  32.403  11.621  10.589
  143    HB3  LEU  21           HB1      LEU  21  32.199   9.986   9.960
  144    HG   LEU  21           HG       LEU  21  30.712   9.798  12.217
  145   HD11  LEU  21          HD11      LEU  21  29.455  11.830  12.575
  146   HD12  LEU  21          HD12      LEU  21  30.270  12.630  11.233
  147   HD13  LEU  21          HD13      LEU  21  31.165  12.238  12.699
  148   HD21  LEU  21          HD21      LEU  21  28.753  10.464  10.650
  149   HD22  LEU  21          HD22      LEU  21  29.788   9.129  10.144
  150   HD23  LEU  21          HD23      LEU  21  30.003  10.729   9.436
  151    H    ARG  22           HN       ARG  22  34.685   8.183  11.306
  152    HA   ARG  22           HA       ARG  22  36.878   9.935  10.346
  153    HB2  ARG  22           HB2      ARG  22  37.031   7.427  12.014
  154    HB3  ARG  22           HB1      ARG  22  38.430   8.145  11.216
  155    HG2  ARG  22           HG2      ARG  22  38.059  10.249  12.420
  156    HG3  ARG  22           HG1      ARG  22  36.621   9.574  13.186
  157    HD2  ARG  22           HD2      ARG  22  39.390   8.379  13.460
  158    HD3  ARG  22           HD1      ARG  22  38.689   9.502  14.623
  159    HE   ARG  22           HE       ARG  22  36.853   7.419  14.267
  160   HH11  ARG  22          HH21      ARG  22  40.080   7.944  15.377
  161   HH12  ARG  22          HH22      ARG  22  40.038   6.671  16.549
  162   HH21  ARG  22          HH11      ARG  22  36.780   5.740  15.805
  163   HH22  ARG  22          HH12      ARG  22  38.168   5.422  16.792
  164    H    LEU  23           HN       LEU  23  37.896   9.445   8.476
  165    HA   LEU  23           HA       LEU  23  37.300   6.850   7.252
  166    HB2  LEU  23           HB2      LEU  23  36.999   9.501   5.816
  167    HB3  LEU  23           HB1      LEU  23  36.851   7.903   5.088
  168    HG   LEU  23           HG       LEU  23  35.081   7.662   7.138
  169   HD11  LEU  23          HD11      LEU  23  33.847   9.689   7.442
  170   HD12  LEU  23          HD12      LEU  23  34.744  10.506   6.161
  171   HD13  LEU  23          HD13      LEU  23  35.543  10.112   7.685
  172   HD21  LEU  23          HD21      LEU  23  34.777   8.631   4.300
  173   HD22  LEU  23          HD22      LEU  23  33.361   8.445   5.334
  174   HD23  LEU  23          HD23      LEU  23  34.381   7.051   4.979
  175    H    SER  24           HN       SER  24  39.013   5.991   6.287
  176    HA   SER  24           HA       SER  24  41.567   7.279   6.526
  177    HB2  SER  24           HB2      SER  24  42.363   5.174   5.358
  178    HB3  SER  24           HB1      SER  24  41.513   4.929   6.881
  179    HG   SER  24           HG       SER  24  39.685   4.371   5.748
  180    H    HIS  25           HN       HIS  25  43.006   7.788   4.876
  181    HA   HIS  25           HA       HIS  25  42.014   9.247   2.707
  182    HB2  HIS  25           HB2      HIS  25  44.738   7.987   3.144
  183    HB3  HIS  25           HB1      HIS  25  44.379   9.159   1.876
  184    HD2  HIS  25           HD2      HIS  25  44.971   9.083   5.747
  185    HE1  HIS  25           HE1      HIS  25  44.351  13.101   4.617
  186    HE2  HIS  25           HE2      HIS  25  45.038  11.573   6.522
  187    H    GLU  26           HN       GLU  26  42.814   5.912   3.110
  188    HA   GLU  26           HA       GLU  26  42.932   5.161   0.367
  189    HB2  GLU  26           HB2      GLU  26  42.309   3.545   2.848
  190    HB3  GLU  26           HB1      GLU  26  42.560   2.850   1.246
  191    HG2  GLU  26           HG2      GLU  26  44.824   3.807   1.170
  192    HG3  GLU  26           HG1      GLU  26  44.573   4.550   2.749
  193    H    ALA  27           HN       ALA  27  40.330   5.378   2.750
  194    HA   ALA  27           HA       ALA  27  38.302   4.097   1.279
  195    HB1  ALA  27           HB1      ALA  27  36.736   5.213   2.730
  196    HB2  ALA  27           HB2      ALA  27  37.929   6.440   3.160
  197    HB3  ALA  27           HB3      ALA  27  38.146   4.771   3.693
  198    H    LEU  28           HN       LEU  28  39.630   7.300   1.158
  199    HA   LEU  28           HA       LEU  28  37.641   8.445  -0.566
  200    HB2  LEU  28           HB2      LEU  28  40.478   9.278   0.080
  201    HB3  LEU  28           HB1      LEU  28  39.422  10.204  -0.979
  202    HG   LEU  28           HG       LEU  28  38.772   9.471   1.894
  203   HD11  LEU  28          HD11      LEU  28  40.545  11.042   2.018
  204   HD12  LEU  28          HD12      LEU  28  39.087  12.020   2.164
  205   HD13  LEU  28          HD13      LEU  28  39.949  11.949   0.629
  206   HD21  LEU  28          HD21      LEU  28  37.277  10.754  -0.321
  207   HD22  LEU  28          HD22      LEU  28  37.218  11.622   1.213
  208   HD23  LEU  28          HD23      LEU  28  36.674   9.947   1.126
  209    H    ARG  29           HN       ARG  29  40.754   6.882  -1.022
  210    HA   ARG  29           HA       ARG  29  41.021   7.338  -3.789
  211    HB2  ARG  29           HB2      ARG  29  42.129   5.184  -1.984
  212    HB3  ARG  29           HB1      ARG  29  42.563   5.324  -3.686
  213    HG2  ARG  29           HG2      ARG  29  43.342   7.634  -3.297
  214    HG3  ARG  29           HG1      ARG  29  42.922   7.482  -1.590
  215    HD2  ARG  29           HD2      ARG  29  44.523   5.621  -1.357
  216    HD3  ARG  29           HD1      ARG  29  44.934   5.761  -3.063
  217    HE   ARG  29           HE       ARG  29  45.347   8.277  -2.003
  218   HH11  ARG  29          HH21      ARG  29  46.462   5.060  -1.369
  219   HH12  ARG  29          HH22      ARG  29  48.039   5.566  -0.864
  220   HH21  ARG  29          HH11      ARG  29  47.398   8.939  -1.346
  221   HH22  ARG  29          HH12      ARG  29  48.570   7.764  -0.851
  222    H    GLN  30           HN       GLN  30  39.406   4.697  -2.025
  223    HA   GLN  30           HA       GLN  30  38.905   3.151  -4.384
  224    HB2  GLN  30           HB2      GLN  30  37.589   3.108  -1.658
  225    HB3  GLN  30           HB1      GLN  30  37.301   1.917  -2.923
  226    HG2  GLN  30           HG2      GLN  30  40.011   2.524  -1.708
  227    HG3  GLN  30           HG1      GLN  30  38.997   1.155  -1.266
  228   HE21  GLN  30          HE21      GLN  30  41.671   1.767  -3.032
  229   HE22  GLN  30          HE22      GLN  30  41.475   0.645  -4.291
  230    H    ILE  31           HN       ILE  31  37.055   5.489  -2.491
  231    HA   ILE  31           HA       ILE  31  34.641   5.216  -3.899
  232    HB   ILE  31           HB       ILE  31  35.774   7.512  -2.297
  233   HG12  ILE  31          HG12      ILE  31  33.502   5.619  -1.647
  234   HG13  ILE  31          HG11      ILE  31  35.172   5.248  -1.230
  235   HG21  ILE  31          HG21      ILE  31  34.207   8.640  -3.592
  236   HG22  ILE  31          HG22      ILE  31  33.181   8.058  -2.278
  237   HG23  ILE  31          HG23      ILE  31  33.210   7.204  -3.821
  238   HD11  ILE  31          HD11      ILE  31  33.407   6.734   0.321
  239   HD12  ILE  31          HD12      ILE  31  34.410   7.964  -0.450
  240   HD13  ILE  31          HD13      ILE  31  35.160   6.690   0.512
  241    H    TYR  32           HN       TYR  32  37.363   7.524  -4.492
  242    HA   TYR  32           HA       TYR  32  36.042   8.918  -6.580
  243    HB2  TYR  32           HB2      TYR  32  38.027   9.851  -5.551
  244    HB3  TYR  32           HB1      TYR  32  38.991   8.470  -6.067
  245    HD1  TYR  32           HD1      TYR  32  36.780  11.154  -7.463
  246    HD2  TYR  32           HD2      TYR  32  40.156   8.575  -8.098
  247    HE1  TYR  32           HE1      TYR  32  37.241  12.287  -9.621
  248    HE2  TYR  32           HE2      TYR  32  40.616   9.708 -10.257
  249    HH   TYR  32           HH       TYR  32  38.373  11.848 -11.723
  250    H    LEU  33           HN       LEU  33  38.326   6.204  -6.661
  251    HA   LEU  33           HA       LEU  33  38.362   5.869  -9.463
  252    HB2  LEU  33           HB2      LEU  33  38.918   3.966  -7.191
  253    HB3  LEU  33           HB1      LEU  33  39.180   3.547  -8.881
  254    HG   LEU  33           HG       LEU  33  40.401   5.972  -7.537
  255   HD11  LEU  33          HD11      LEU  33  42.521   4.467  -7.800
  256   HD12  LEU  33          HD12      LEU  33  41.360   3.140  -7.844
  257   HD13  LEU  33          HD13      LEU  33  41.442   4.191  -6.432
  258   HD21  LEU  33          HD21      LEU  33  40.785   6.515  -9.709
  259   HD22  LEU  33          HD22      LEU  33  40.351   4.908 -10.283
  260   HD23  LEU  33          HD23      LEU  33  41.978   5.219  -9.683
  261    H    SER  34           HN       SER  34  36.306   4.381  -6.957
  262    HA   SER  34           HA       SER  34  35.024   2.496  -8.594
  263    HB2  SER  34           HB2      SER  34  34.858   2.512  -6.134
  264    HB3  SER  34           HB1      SER  34  33.916   3.998  -6.207
  265    HG   SER  34           HG       SER  34  32.240   2.910  -6.993
  266    H    GLY  35           HN       GLY  35  34.406   5.895  -7.979
  267    HA2  GLY  35           HA2      GLY  35  31.949   6.043  -9.444
  268    HA3  GLY  35           HA1      GLY  35  32.922   7.407  -8.902
  269    H    LEU  36           HN       LEU  36  35.343   6.532 -10.156
  270    HA   LEU  36           HA       LEU  36  35.104   7.784 -12.646
  271    HB2  LEU  36           HB2      LEU  36  37.221   7.711 -11.429
  272    HB3  LEU  36           HB1      LEU  36  37.292   5.961 -11.615
  273    HG   LEU  36           HG       LEU  36  37.422   6.203 -14.062
  274   HD11  LEU  36          HD11      LEU  36  37.900   8.682 -14.811
  275   HD12  LEU  36          HD12      LEU  36  36.960   9.087 -13.376
  276   HD13  LEU  36          HD13      LEU  36  36.237   8.116 -14.661
  277   HD21  LEU  36          HD21      LEU  36  39.604   6.166 -13.390
  278   HD22  LEU  36          HD22      LEU  36  39.383   7.482 -12.239
  279   HD23  LEU  36          HD23      LEU  36  39.579   7.836 -13.954
  280    H    HIS  37           HN       HIS  37  35.062   4.383 -11.727
  281    HA   HIS  37           HA       HIS  37  35.125   3.417 -14.439
  282    HB2  HIS  37           HB2      HIS  37  34.428   2.089 -11.807
  283    HB3  HIS  37           HB1      HIS  37  34.480   1.239 -13.351
  284    HD2  HIS  37           HD2      HIS  37  37.046   0.521 -14.191
  285    HE1  HIS  37           HE1      HIS  37  39.187   2.561 -11.177
  286    HE2  HIS  37           HE2      HIS  37  39.391   0.937 -13.120
  287    H    SER  38           HN       SER  38  32.763   4.667 -12.321
  288    HA   SER  38           HA       SER  38  30.458   3.342 -13.398
  289    HB2  SER  38           HB2      SER  38  30.486   5.999 -11.975
  290    HB3  SER  38           HB1      SER  38  29.182   4.814 -12.039
  291    HG   SER  38           HG       SER  38  31.599   3.873 -11.098
  292    H    TRP  39           HN       TRP  39  32.563   5.530 -14.781
  293    HA   TRP  39           HA       TRP  39  30.692   7.237 -16.097
  294    HB2  TRP  39           HB2      TRP  39  33.237   7.591 -15.706
  295    HB3  TRP  39           HB1      TRP  39  33.430   6.617 -17.164
  296    HD1  TRP  39           HD1      TRP  39  33.046   7.776 -19.426
  297    HE1  TRP  39           HE1      TRP  39  32.247  10.118 -20.155
  298    HE3  TRP  39           HE3      TRP  39  31.533   9.632 -14.917
  299    HZ2  TRP  39           HZ2      TRP  39  31.120  12.472 -18.975
  300    HZ3  TRP  39           HZ3      TRP  39  30.602  11.922 -14.748
  301    HH2  TRP  39           HH2      TRP  39  30.393  13.342 -16.769
  302    H    LYS  40           HN       LYS  40  32.223   4.153 -16.802
  303    HA   LYS  40           HA       LYS  40  30.879   4.079 -19.423
  304    HB2  LYS  40           HB2      LYS  40  33.085   2.371 -18.254
  305    HB3  LYS  40           HB1      LYS  40  32.329   2.079 -19.823
  306    HG2  LYS  40           HG2      LYS  40  33.005   4.295 -20.602
  307    HG3  LYS  40           HG1      LYS  40  33.678   4.670 -19.018
  308    HD2  LYS  40           HD2      LYS  40  35.555   4.016 -20.309
  309    HD3  LYS  40           HD1      LYS  40  35.171   2.598 -19.337
  310    HE2  LYS  40           HE2      LYS  40  34.139   1.491 -21.184
  311    HE3  LYS  40           HE1      LYS  40  34.099   2.970 -22.143
  312    HZ1  LYS  40           HZ1      LYS  40  36.550   1.546 -21.266
  313    HZ2  LYS  40           HZ2      LYS  40  36.510   2.978 -22.181
  314    HZ3  LYS  40           HZ3      LYS  40  35.904   1.531 -22.834
  315    H    LYS  41           HN       LYS  41  29.495   2.456 -19.997
  316    HA   LYS  41           HA       LYS  41  27.962   1.287 -17.869
  317    HB2  LYS  41           HB2      LYS  41  27.808   1.062 -20.881
  318    HB3  LYS  41           HB1      LYS  41  26.656   0.303 -19.781
  319    HG2  LYS  41           HG2      LYS  41  26.091   2.509 -18.832
  320    HG3  LYS  41           HG1      LYS  41  27.254   3.277 -19.913
  321    HD2  LYS  41           HD2      LYS  41  25.989   2.437 -21.866
  322    HD3  LYS  41           HD1      LYS  41  24.820   1.687 -20.779
  323    HE2  LYS  41           HE2      LYS  41  24.231   3.889 -19.861
  324    HE3  LYS  41           HE1      LYS  41  25.428   4.657 -20.904
  325    HZ1  LYS  41           HZ1      LYS  41  23.334   4.848 -21.964
  326    HZ2  LYS  41           HZ2      LYS  41  22.979   3.202 -21.731
  327    HZ3  LYS  41           HZ3      LYS  41  24.202   3.667 -22.818
  328    H    LYS  42           HN       LYS  42  27.799  -0.838 -17.283
  329    HA   LYS  42           HA       LYS  42  30.076  -2.535 -17.924
  330    HB2  LYS  42           HB2      LYS  42  29.275  -2.292 -15.587
  331    HB3  LYS  42           HB1      LYS  42  27.740  -3.019 -16.054
  332    HG2  LYS  42           HG2      LYS  42  28.930  -5.080 -16.744
  333    HG3  LYS  42           HG1      LYS  42  30.459  -4.348 -16.261
  334    HD2  LYS  42           HD2      LYS  42  29.660  -4.162 -13.942
  335    HD3  LYS  42           HD1      LYS  42  28.106  -4.850 -14.415
  336    HE2  LYS  42           HE2      LYS  42  29.519  -6.595 -13.423
  337    HE3  LYS  42           HE1      LYS  42  29.259  -6.928 -15.134
  338    HZ1  LYS  42           HZ1      LYS  42  31.491  -7.162 -15.068
  339    HZ2  LYS  42           HZ2      LYS  42  31.691  -6.116 -13.744
  340    HZ3  LYS  42           HZ3      LYS  42  31.452  -5.485 -15.302