*HEADER    SIGNALING PROTEIN                       13-NOV-15   2N9C              
*TITLE     NRAS ISOFORM 5                                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GTPASE NRAS;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 1-17;                                         
*COMPND   5 SYNONYM: TRANSFORMING PROTEIN N-RAS;                                 
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    NRAS, SIGNALING PROTEIN                                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    25                                                                    
*AUTHOR    J.MARKOWITZ, T.K.MAL, C.YUAN, N.B.COURTNEY, M.PATEL, A.R.STIFF,       
*AUTHOR   2 J.BLACHLY, C.WALKER, A.EISFELD, A.DE LA CHAPELLE, W.E.CARSON III     
*REVDAT   1   23-MAR-16 2N9C    0                                                


  1 MET  H       1 MET  HB2     3.16            #peak   466 #SUP  0.95  #QF  0.95
  1 MET  H       1 MET  HB3     3.16            #peak   465 #SUP  0.88  #QF  0.88
  1 MET  H       1 MET  QG      4.32            #peak   145 #SUP  1.00
  1 MET  H       2 THR  H       3.16            #peak    36 #SUP  0.98  #QF  0.98
  1 MET  QG      2 THR  H       4.53            #peak   146 #SUP  0.88  #QF  0.88
  2 THR  H       2 THR  HB      2.98            #peak   121 #SUP  0.69  #QF  0.69
  2 THR  H       2 THR  QG2     3.16            #peak   226 #SUP  0.97  #QF  0.97
  2 THR  H       3 GLU  H       2.99            #peak    35 #SUP  0.99  #QF  0.99
  2 THR  HA      5 LYS  QB      5.08            #peak   298 #SUP  1.00  
  2 THR  QG2     3 GLU  H       3.50            #peak   224 #SUP  0.99  #QF  0.99
  2 THR  QG2     3 GLU  HA      4.68            #peak   322 #SUP  1.00
  2 THR  QG2     3 GLU  QB      4.31            #peak   422 #SUP  0.95  #QF  0.95
  2 THR  QG2     3 GLU  QG      4.93            #peak   420 #SUP  0.99  #QF  0.99
  2 THR  QG2     4 TYR  H       4.06            #peak   228 #SUP  1.00
  2 THR  QG2     4 TYR  HD2     4.80            #peak   273 #SUP  0.98  #QF  0.98
  2 THR  QG2     4 TYR  HE2     4.45            #peak   274 #SUP  0.97  #QF  0.97
  2 THR  QG2     4 TYR  QB      5.45            #peak   355 #SUP  1.00  
  2 THR  QG2     5 LYS  H       4.07            #peak   227 #SUP  1.00  
  2 THR  QG2     5 LYS  QB      5.03            #peak   423 #SUP  1.00  
  2 THR  QG2     5 LYS  QD      3.80            #peak   425 #SUP  0.99  #QF  0.99  
  2 THR  QG2     5 LYS  QE      4.69            #peak   356 #SUP  0.98  #QF  0.98  
  3 GLU  H       3 GLU  HA      2.92            #peak    78 #SUP  1.00              
  3 GLU  H       3 GLU  QB      2.96            #peak   168 #SUP  0.97  #QF  0.97
  3 GLU  H       4 TYR  H       2.8             #peak    10 #SUP  0.98  #QF  0.98 
  3 GLU  H       4 TYR  HD2     4.76            #peak     1 #SUP  0.99  #QF  0.99  
  3 GLU  H       5 LYS  H       4.4            #peak    41 #SUP  0.99   #QF  0.99 
  3 GLU  QB      3 GLU  QG      2.51            #peak   429 #SUP  0.91  #QF  0.91
  3 GLU  QB      4 TYR  H       2.88            #peak   172 #SUP  0.90  #QF  0.90 
  3 GLU  QB      5 LYS  QD      4.82            #peak   437 #SUP  0.82  #QF  0.68  
  3 GLU  QG      4 TYR  QB      4.48            #peak   339 #SUP  0.98  #QF  0.98  
  3 GLU  QG      5 LYS  H       4.44            #peak   149 #SUP  0.59  #QF  0.59
  3 GLU  QG      6 LEU  H       5.50            #peak   151 #SUP  0.98  #QF  0.98
  4 TYR  H       4 TYR  HD1     3.69            #peak   476 #SUP  0.48  #QF  0.48
  4 TYR  H       4 TYR  HD2     3.15            #peak   480 #SUP  0.99  #QF  0.99
  4 TYR  H       4 TYR  HE1     4.70            #peak   484 #SUP  0.47  #QF  0.47
  4 TYR  H       4 TYR  HE2     4.44            #peak   483 #SUP  1.00
  4 TYR  H       4 TYR  QB      3.00            #peak   137 #SUP  0.98  #QF  0.98 
  4 TYR  HA      5 LYS  H       3.5             #peak    74 #SUP  0.93   #QF  0.88  
  4 TYR  HA      7 VAL  HB      3.4             #peak   285 #SUP  0.91   #QF  0.91  
  4 TYR  HA      7 VAL  QG2     3.79            #peak   324 #SUP  0.80  #QF  0.80
  4 TYR  HA      8 VAL  H       4.2             #peak    74 #SUP  0.93   #QF  0.88  
  4 TYR  HA      8 VAL  QQG     3.87            #peak   332 #SUP  0.88  #QF  0.88
  4 TYR  HA      7 VAL  H       3.4             #peak    72 #SUP  0.65   #QF  0.65 
  4 TYR  QB      5 LYS  H       3.5             #peak    136 #SUP 1.00                                  
  4 TYR  HD1    20 TRP  HB2     4.73            #peak   519 #SUP  0.93  #QF  0.93  
  4 TYR  HD2     5 LYS  H       3.55            #peak     6 #SUP  0.96  #QF  0.91
  4 TYR  HD2     5 LYS  HA      3.68            #peak   534 #SUP  0.97  #QF  0.97
  4 TYR  HD2     5 LYS  HG2     4.52            #peak   271 #SUP  0.99  #QF  0.99
  4 TYR  HD2     5 LYS  HG3     4.14            #peak   269 #SUP  0.98  #QF  0.98
  4 TYR  HD2     5 LYS  QB      4.47            #peak   266 #SUP  0.99  #QF  0.99
  4 TYR  HD2     5 LYS  QD      4.92            #peak   268 #SUP  0.99  #QF  0.99
  4 TYR  HD2     8 VAL  HB      3.85            #peak   263 #SUP  0.90  #QF  0.90  
  4 TYR  HE1    20 TRP  HB2     4.54            #peak   520 #SUP  0.98  #QF  0.98
  4 TYR  HE1    20 TRP  HB3     4.70            #peak   517 #SUP  0.97  #QF  0.97
  4 TYR  HE1    20 TRP  HD1     4.47            #peak   494 #SUP  0.74  #QF  0.74
  4 TYR  HE1    20 TRP  HE3     5.50            #peak   485 #SUP  0.94  #QF  0.94
  4 TYR  HE2     5 LYS  H       4.97            #peak   481 #SUP  0.61  #QF  0.61
  4 TYR  HE2     5 LYS  HA      4.87            #peak   535 #SUP  0.98  #QF  0.98
  4 TYR  HE2     5 LYS  HG2     4.79            #peak   272 #SUP  0.99  #QF  0.99
  4 TYR  HE2     5 LYS  HG3     4.70            #peak   270 #SUP  0.99  #QF  0.99
  4 TYR  HE2     5 LYS  QB      5.50            #peak   267 #SUP  1.00  #QF  0.99
  4 TYR  QB      4 TYR  HD2     2.72            #peak   522 #SUP  0.98  #QF  0.98
  4 TYR  QB      5 LYS  HG3     4.83            #peak   350 #SUP  1.00
  4 TYR  QB      5 LYS  QD      5.50            #peak   346 #SUP  1.00
  4 TYR  QB      7 VAL  HB      4.34            #peak   340 #SUP  0.94  #QF  0.94
  4 TYR  QB      8 VAL  QQG     3.58            #peak   362 #SUP  0.97  #QF  0.97
  5 LYS  H       5 LYS  HA      2.92            #peak    95 #SUP  1.00
  5 LYS  H       5 LYS  HG2     4.10            #peak   220 #SUP  1.00
  5 LYS  H       5 LYS  HG3     3.11            #peak   212 #SUP  0.99  #QF  0.99
  5 LYS  H       5 LYS  QB      2.50            #peak   186 #SUP  0.96  #QF  0.96
  5 LYS  H       5 LYS  QD      3.50            #peak   201 #SUP  1.00
  5 LYS  HA      5 LYS  HG2     3.51            #peak   319 #SUP  1.00
  5 LYS  HA      5 LYS  HG3     3.73            #peak   311 #SUP  1.00
  5 LYS  HA      5 LYS  QB      2.87            #peak   299 #SUP  1.00
  5 LYS  HA      5 LYS  QD      4.17            #peak   306 #SUP  0.99  #QF  0.99
  5 LYS  HA       6 LEU  H       3.5            #peak    97 #SUP  0.84  #QF  0.84  
  5 LYS  HG2     5 LYS  QD      2.98            #peak   418 #SUP  0.91  #QF  0.91
  5 LYS  HG2     5 LYS  QE      3.44            #peak   354 #SUP  0.98  #QF  0.98
  5 LYS  HG2     9 VAL  HB      4.92            #peak   419 #SUP  0.99  #QF  0.99
  5 LYS  HG2     9 VAL  QG2     4.60            #peak   374 #SUP  1.00
  5 LYS  HG3     5 LYS  QD      2.89            #peak   404 #SUP  0.95  #QF  0.95
  5 LYS  HG3     5 LYS  QE      3.46            #peak   351 #SUP  0.97  #QF  0.97
  5 LYS  QB      5 LYS  HG3     2.93            #peak   403 #SUP  0.91  #QF  0.91
  5 LYS  QB      5 LYS  QE      4.02            #peak   344 #SUP  1.00
  5 LYS  QD      5 LYS  QE      2.98            #peak   347 #SUP  0.93  #QF  0.93
  5 LYS  QD      9 VAL  HB      5.27            #peak   438 #SUP  1.00
  6 LEU  H       6 LEU  HB3     3.34            #peak   202 #SUP  0.96  #QF  0.96
  6 LEU  H       6 LEU  HG      2.93            #peak   209 #SUP  0.95  #QF  0.95
  6 LEU  H       6 LEU  QD1     3.69            #peak   469 #SUP  0.99  #QF  0.99
  6 LEU  H       6 LEU  QD2     3.36            #peak   470 #SUP  0.98  #QF  0.98
  6 LEU  HA     10 GLY  H       4.2             #peak    82 #SUP  0.75  #QF  0.68  
  6 LEU  HA      6 LEU  HG      3.78            #peak   309 #SUP  0.94  #QF  0.94
  6 LEU  HA      6 LEU  QD1     3.90            #peak   336 #SUP  0.95  #QF  0.95
  6 LEU  HA      7 VAL  H       3.5             #peak    84 #SUP  0.93  #QF  0.93  
  6 LEU  HB2     6 LEU  HG      3.00            #peak   401 #SUP  0.94  #QF  0.94
  6 LEU  HB2     6 LEU  QD2     3.18            #peak   383 #SUP  0.82  #QF  0.82
  6 LEU  HB2     7 VAL  QG2     3.92            #peak   366 #SUP  0.90  #QF  0.90
  6 LEU  HB3     6 LEU  HG      2.92            #peak   402 #SUP  0.99  #QF  0.99
  6 LEU  HB3     6 LEU  QD1     3.11            #peak   395 #SUP  0.95  #QF  0.95
  6 LEU  HB3     6 LEU  QD2     2.94            #peak   384 #SUP  0.70  #QF  0.70
  6 LEU  HG      7 VAL  H       3.44            #peak   208 #SUP  0.97  #QF  0.97
  6 LEU  HG      7 VAL  HA      5.21            #peak   310 #SUP  0.96  #QF  0.96
  6 LEU  HG      7 VAL  HB      4.45            #peak   400 #SUP  0.99  #QF  0.99
  6 LEU  HG      7 VAL  QG2     3.98            #peak   367 #SUP  0.99  #QF  0.99
  7 VAL  H      10 GLY  H       3.4             #peak    65 #SUP  0.62  #QF  0.27  
  7 VAL  H       7 VAL  QG2     2.99            #peak   233 #SUP  0.94  #QF  0.94
  7 VAL  HA      7 VAL  QG1     2.89            #peak   331 #SUP  0.78  #QF  0.78
  7 VAL  HA      7 VAL  QG2     2.80            #peak   323 #SUP  0.90  #QF  0.90
  7 VAL  HB      8 VAL  H       2.72            #peak   158 #SUP  0.26  #QF  0.26  
  8 VAL  H      10 GLY  H       4.4             #peak    65 #SUP  0.62  #QF  0.27  
  8 VAL  H       8 VAL  HB      2.79            #peak   171 #SUP  0.91  #QF  0.91
  8 VAL  H       8 VAL  QQG     2.41            #peak   463 #SUP  0.87  #QF  0.87
  8 VAL  H       9 VAL  H       2.80            #peak    39 #SUP  0.99  #QF  0.99
  8 VAL  HA     11 ALA  H       4.31            #peak   106 #SUP  0.22  #QF  0.22  
  8 VAL  HA     11 ALA  QB      3.66            #peak   317 #SUP  0.63  #QF  0.63
  8 VAL  HA      8 VAL  QQG     2.52            #peak   334 #SUP  0.99  #QF  0.99
  8 VAL  HB      9 VAL  H       2.89            #peak   169 #SUP  0.95  #QF  0.95  
  8 VAL  QQG    11 ALA  H       5.24            #peak   252 #SUP  0.56  #QF  0.45
  8 VAL  QQG    14 VAL  H       4.22            #peak   462 #SUP  0.95  #QF  0.95  
  8 VAL  QQG    14 VAL  HB      4.17            #peak   388 #SUP  0.53  #QF  0.53  
  8 VAL  QQG     9 VAL  H       3.13            #peak   254 #SUP  0.99  #QF  0.99
  8 VAL  QQG     9 VAL  HA      3.76            #peak   333 #SUP  0.98  #QF  0.98
  9 VAL  H       9 VAL  HB      2.85            #peak   157 #SUP  0.95  #QF  0.95
  9 VAL  H       9 VAL  QG1     4.15            #peak   459 #SUP  1.00
  9 VAL  H       9 VAL  QG2     2.64            #peak   237 #SUP  0.94  #QF  0.94
  9 VAL  HA     14 VAL  H       3.78            #peak   102 #SUP  0.90  #QF  0.90  
  9 VAL  HA      9 VAL  QG1     2.93            #peak   330 #SUP  0.96  #QF  0.96
  9 VAL  HA      9 VAL  QG2     2.84            #peak   327 #SUP  0.96  #QF  0.96
  9 VAL  HB     10 GLY  H       3.09            #peak   156 #SUP  0.87  #QF  0.87
  9 VAL  QG1    10 GLY  H       4.11            #peak   245 #SUP  1.00
  9 VAL  QG1    12 GLY  H       4.33            #peak   248 #SUP  0.84  #QF  0.84
  9 VAL  QG1    14 VAL  H       5.00            #peak   460 #SUP  0.85  #QF  0.85 
  9 VAL  QG2    10 GLY  H       3.79            #peak   236 #SUP  1.00
  9 VAL  QG2    17 SER  H       5.05            #peak   238 #SUP  0.95  #QF  0.95  
 10 GLY  H      10 GLY  QA      2.40            #peak    98 #SUP  0.89  #QF  0.89
 10 GLY  QA     11 ALA  QB      4.34            #peak   314 #SUP  0.77  #QF  0.77
 11 ALA  H      11 ALA  QB      2.50            #peak   216 #SUP  0.68  #QF  0.68
 11 ALA  H      12 GLY  H       3.01            #peak    45 #SUP  0.64  #QF  0.23
 11 ALA  QB     12 GLY  H       3.01            #peak   215 #SUP  0.87  #QF  0.87
 11 ALA  QB     12 GLY  QA      3.72            #peak   313 #SUP  0.96  #QF  0.96
 11 ALA  QB     13 GLY  H       4.95            #peak   217 #SUP  0.99  #QF  0.58
 12 GLY  H      12 GLY  QA      2.55            #peak    94 #SUP  1.00
 12 GLY  H      13 GLY  H       2.79            #peak    54 #SUP  0.70  #QF  0.70
 12 GLY  H      14 VAL  H       4.68            #peak    13 #SUP  0.99  #QF  0.99
 13 GLY  H      14 VAL  H       3.11            #peak    16 #SUP  0.99  #QF  0.99
 13 GLY  H      15 GLY  H       5.24            #peak    24 #SUP  0.97  #QF  0.97
 13 GLY  QA     14 VAL  H       2.55            #peak    92 #SUP  0.96  #QF  0.96
 14 VAL  H      14 VAL  HB      2.72            #peak   163 #SUP  0.90  #QF  0.90
 14 VAL  H      14 VAL  QG2     2.72            #peak   241 #SUP  0.89  #QF  0.89
 14 VAL  H      15 GLY  H       3.02            #peak    27 #SUP  0.89  #QF  0.89
 14 VAL  HA     14 VAL  QG1     3.65            #peak   329 #SUP  0.98  #QF  0.61
 14 VAL  HA     14 VAL  QG2     3.06            #peak   328 #SUP  0.94  #QF  0.94
 14 VAL  HB     15 GLY  H       3.21            #peak   162 #SUP  0.92  #QF  0.92
 14 VAL  QG1    15 GLY  H       4.05            #peak   244 #SUP  1.00  #QF  0.93
 15 GLY  H      15 GLY  HA2     2.55            #peak    89 #SUP  0.79  #QF  0.79
 15 GLY  H      16 LYS  H       2.89            #peak    32 #SUP  0.90  #QF  0.50
 15 GLY  H      17 SER  H       4.12            #peak    46 #SUP  0.75  #QF  0.75
 15 GLY  H      18 HIS  H       4.84            #peak    48 #SUP  0.98  #QF  0.98  
 15 GLY  HA2    16 LYS  H       3.09            #peak    91 #SUP  0.89  #QF  0.89
 16 LYS  H      16 LYS  HB2     2.82            #peak   196 #SUP  0.91  #QF  0.91
 16 LYS  H      16 LYS  HB3     3.83            #peak   183 #SUP  1.00
 16 LYS  H      16 LYS  HG2     3.34            #peak   511 #SUP  0.98  #QF  0.98
 16 LYS  H      16 LYS  HG3     3.83            #peak   512 #SUP  0.99  #QF  0.99
 16 LYS  H      17 SER  H       2.85            #peak    30 #SUP  0.98  #QF  0.98
 16 LYS  HA     16 LYS  QD      4.98            #peak   307 #SUP  0.99  #QF  0.99
 16 LYS  HB2    17 SER  H       3.43            #peak   195 #SUP  0.99  #QF  0.99
 16 LYS  HB2    18 HIS  H       4.94            #peak   193 #SUP  0.96  #QF  0.96
 16 LYS  HB3    17 SER  H       3.78            #peak   182 #SUP  0.99  #QF  0.99
 16 LYS  HB3    18 HIS  H       5.42            #peak   181 #SUP  0.98  #QF  0.98
 16 LYS  HG2    16 LYS  QE      3.80            #peak   352 #SUP  0.89  #QF  0.89
 16 LYS  HG2    17 SER  H       4.07            #peak   513 #SUP  0.97  #QF  0.97
 16 LYS  QD     17 SER  H       4.87            #peak   203 #SUP  1.00
 16 LYS  QE     17 SER  H       5.03            #peak   142 #SUP  0.37  #QF  0.37
 17 SER  H      17 SER  HA      2.93            #peak    67 #SUP  0.69  #QF  0.69
 17 SER  H      17 SER  HB2     3.00            #peak   467 #SUP  0.93  #QF  0.93
 17 SER  H      17 SER  HB3     2.98            #peak   468 #SUP  0.92  #QF  0.92
 17 SER  H      18 HIS  H       3.03            #peak    52 #SUP  0.90  #QF  0.90
 18 HIS  H      18 HIS  HB2     3.22            #peak   130 #SUP  0.94  #QF  0.94
 18 HIS  H      18 HIS  HB3     3.74            #peak   139 #SUP  0.99  #QF  0.99
 18 HIS  H      18 HIS  HE1     4.60            #peak   472 #SUP  0.94  #QF  0.94
 18 HIS  H      19 VAL  H       3.05            #peak    31 #SUP  0.99  #QF  0.99
 18 HIS  HB2    19 VAL  H       3.60            #peak   128 #SUP  0.98  #QF  0.98
 18 HIS  HB2    20 TRP  H       5.50            #peak   129 #SUP  0.99  #QF  0.99
 18 HIS  HB3    19 VAL  H       4.01            #peak   140 #SUP  0.99  #QF  0.99
 19 VAL  H      19 VAL  HB      2.98            #peak   176 #SUP  0.90  #QF  0.90
 19 VAL  H      19 VAL  QG1     4.07            #peak   255 #SUP  1.00
 19 VAL  H      19 VAL  QG2     3.07            #peak   461 #SUP  0.92  #QF  0.92
 19 VAL  H      20 TRP  H       3.21            #peak    57 #SUP  0.91  #QF  0.91
 19 VAL  HA     19 VAL  QG1     3.56            #peak   337 #SUP  1.00
 19 VAL  HA     19 VAL  QG2     3.50            #peak   335 #SUP  0.99  #QF  0.99
 19 VAL  HA     20 TRP  HD1     5.50            #peak   540 #SUP  1.00
 19 VAL  HB     20 TRP  H       3.30            #peak   177 #SUP  0.93  #QF  0.93
 19 VAL  HB     20 TRP  HD1     4.56            #peak   265 #SUP  0.99  #QF  0.99
 19 VAL  QG1    20 TRP  H       3.69            #peak   256 #SUP  0.97  #QF  0.97
 19 VAL  QG1    20 TRP  HD1     4.51            #peak   282 #SUP  0.99  #QF  0.99
 19 VAL  QG2    20 TRP  HD1     4.53            #peak   280 #SUP  0.98  #QF  0.98
 20 TRP  H      20 TRP  HB2     3.16            #peak   126 #SUP  0.88  #QF  0.88
 20 TRP  H      20 TRP  HB3     3.81            #peak   124 #SUP  1.00
 20 TRP  H      20 TRP  HD1     3.68            #peak     5 #SUP  0.98  #QF  0.98
 20 TRP  HB2    20 TRP  HD1     3.30            #peak   518 #SUP  0.87  #QF  0.87
 20 TRP  HB2    20 TRP  HE3     4.13            #peak   127 #SUP  0.94  #QF  0.94
 20 TRP  HB3    20 TRP  HE3     3.50            #peak   125 #SUP  0.87  #QF  0.87

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H        MET   1   1.808  -0.000   0.855
    2    HA   MET   1           HA       MET   1   1.405  -0.185  -2.054
    3    HB2  MET   1           2HB      MET   1   2.024   2.135  -1.319
    4    HB3  MET   1           3HB      MET   1   3.543   1.482  -0.721
    5    HG2  MET   1           2HG      MET   1   3.739   0.564  -3.172
    6    HG3  MET   1           3HG      MET   1   2.613   1.875  -3.515
    7    HE1  MET   1           3HE      MET   1   4.504   5.035  -3.209
    8    HE2  MET   1           1HE      MET   1   2.985   4.175  -3.458
    9    HE3  MET   1           2HE      MET   1   3.563   4.485  -1.822
   10    H    THR   2           H        THR   2   1.756  -2.472  -0.802
   11    HA   THR   2           HA       THR   2   4.618  -3.109  -1.111
   12    HB   THR   2           HB       THR   2   3.746  -3.408   1.211
   13    HG1  THR   2           HG1      THR   2   4.880  -5.267   1.451
   14   HG21  THR   2          3HG2      THR   2   1.458  -4.114   0.561
   15   HG22  THR   2          1HG2      THR   2   2.222  -5.220   1.702
   16   HG23  THR   2          2HG2      THR   2   2.123  -5.645  -0.007
   17    H    GLU   3           H        GLU   3   1.350  -3.906  -1.975
   18    HA   GLU   3           HA       GLU   3   2.299  -5.562  -4.143
   19    HB2  GLU   3           2HB      GLU   3   2.185  -7.300  -2.540
   20    HB3  GLU   3           3HB      GLU   3   0.679  -6.691  -1.870
   21    HG2  GLU   3           2HG      GLU   3  -0.522  -7.347  -3.851
   22    HG3  GLU   3           3HG      GLU   3   0.978  -7.844  -4.633
   23    H    TYR   4           H        TYR   4  -0.768  -5.101  -2.378
   24    HA   TYR   4           HA       TYR   4  -1.989  -4.259  -4.921
   25    HB2  TYR   4           2HB      TYR   4  -4.162  -4.849  -3.615
   26    HB3  TYR   4           3HB      TYR   4  -3.177  -6.152  -4.272
   27    HD1  TYR   4           HD2      TYR   4  -3.539  -4.157  -1.132
   28    HD2  TYR   4           HD1      TYR   4  -2.662  -7.930  -2.892
   29    HE1  TYR   4           HE2      TYR   4  -3.378  -5.159   1.109
   30    HE2  TYR   4           HE1      TYR   4  -2.501  -8.942  -0.656
   31    HH   TYR   4           HH       TYR   4  -2.896  -6.985   2.279
   32    H    LYS   5           H        LYS   5  -1.258  -3.332  -1.691
   33    HA   LYS   5           HA       LYS   5  -3.175  -1.322  -1.278
   34    HB2  LYS   5           2HB      LYS   5  -0.416  -1.816  -0.203
   35    HB3  LYS   5           3HB      LYS   5  -1.278  -0.340   0.211
   36    HG2  LYS   5           2HG      LYS   5  -2.775  -1.416   1.531
   37    HG3  LYS   5           3HG      LYS   5  -2.728  -2.896   0.570
   38    HD2  LYS   5           2HD      LYS   5  -1.702  -3.436   2.625
   39    HD3  LYS   5           3HD      LYS   5  -0.380  -3.235   1.473
   40    HE2  LYS   5           2HE      LYS   5   0.433  -2.004   3.217
   41    HE3  LYS   5           3HE      LYS   5  -0.454  -0.749   2.354
   42    HZ1  LYS   5           3HZ      LYS   5  -1.676  -0.425   4.153
   43    HZ2  LYS   5           1HZ      LYS   5  -0.820  -1.626   4.982
   44    HZ3  LYS   5           2HZ      LYS   5  -2.216  -2.028   4.115
   45    H    LEU   6           H        LEU   6  -0.521  -1.472  -3.413
   46    HA   LEU   6           HA       LEU   6  -0.109   1.374  -3.613
   47    HB2  LEU   6           2HB      LEU   6   1.371   0.802  -5.481
   48    HB3  LEU   6           3HB      LEU   6   1.744  -0.114  -4.022
   49    HG   LEU   6           HG       LEU   6   0.046  -1.795  -5.396
   50   HD11  LEU   6          1HD1      LEU   6   0.341  -0.146  -7.325
   51   HD12  LEU   6          2HD1      LEU   6   0.636  -1.852  -7.657
   52   HD13  LEU   6          3HD1      LEU   6   1.995  -0.752  -7.425
   53   HD21  LEU   6          3HD2      LEU   6   2.114  -3.069  -5.876
   54   HD22  LEU   6          1HD2      LEU   6   2.025  -2.491  -4.212
   55   HD23  LEU   6          2HD2      LEU   6   3.059  -1.665  -5.377
   56    H    VAL   7           H        VAL   7  -2.310  -0.877  -4.890
   57    HA   VAL   7           HA       VAL   7  -3.050   0.979  -7.057
   58    HB   VAL   7           HB       VAL   7  -3.652  -1.973  -6.819
   59   HG11  VAL   7          1HG1      VAL   7  -4.780   0.148  -8.477
   60   HG12  VAL   7          2HG1      VAL   7  -4.177  -1.226  -9.404
   61   HG13  VAL   7          3HG1      VAL   7  -5.386  -1.474  -8.143
   62   HG21  VAL   7          3HG2      VAL   7  -1.505  -2.066  -7.532
   63   HG22  VAL   7          1HG2      VAL   7  -2.251  -1.730  -9.094
   64   HG23  VAL   7          2HG2      VAL   7  -1.527  -0.419  -8.162
   65    H    VAL   8           H        VAL   8  -4.539  -1.377  -4.827
   66    HA   VAL   8           HA       VAL   8  -7.154  -0.366  -5.055
   67    HB   VAL   8           HB       VAL   8  -5.919  -1.885  -2.753
   68   HG11  VAL   8          1HG1      VAL   8  -8.630  -2.489  -2.946
   69   HG12  VAL   8          2HG1      VAL   8  -7.845  -1.511  -1.704
   70   HG13  VAL   8          3HG1      VAL   8  -8.541  -0.737  -3.128
   71   HG21  VAL   8          3HG2      VAL   8  -6.100  -3.757  -3.955
   72   HG22  VAL   8          1HG2      VAL   8  -7.717  -3.331  -4.517
   73   HG23  VAL   8          2HG2      VAL   8  -6.297  -2.714  -5.363
   74    H    VAL   9           H        VAL   9  -4.778   0.065  -2.427
   75    HA   VAL   9           HA       VAL   9  -6.365   2.184  -1.255
   76    HB   VAL   9           HB       VAL   9  -3.596   1.302  -0.443
   77   HG11  VAL   9          1HG1      VAL   9  -4.343   3.461   0.451
   78   HG12  VAL   9          2HG1      VAL   9  -5.786   2.684   1.104
   79   HG13  VAL   9          3HG1      VAL   9  -4.192   2.244   1.718
   80   HG21  VAL   9          3HG2      VAL   9  -5.101  -0.624  -0.461
   81   HG22  VAL   9          1HG2      VAL   9  -4.680  -0.160   1.188
   82   HG23  VAL   9          2HG2      VAL   9  -6.259   0.266   0.528
   83    H    GLY  10           H        GLY  10  -3.647   1.866  -3.381
   84    HA2  GLY  10           2HA      GLY  10  -2.493   4.423  -2.987
   85    HA3  GLY  10           3HA      GLY  10  -2.290   3.410  -4.408
   86    H    ALA  11           H        ALA  11  -5.359   3.427  -4.594
   87    HA   ALA  11           HA       ALA  11  -5.479   5.849  -6.219
   88    HB1  ALA  11           1HB      ALA  11  -6.317   4.218  -7.549
   89    HB2  ALA  11           2HB      ALA  11  -6.910   3.260  -6.192
   90    HB3  ALA  11           3HB      ALA  11  -7.817   4.670  -6.739
   91    H    GLY  12           H        GLY  12  -6.946   4.400  -3.382
   92    HA2  GLY  12           2HA      GLY  12  -7.694   6.726  -2.139
   93    HA3  GLY  12           3HA      GLY  12  -9.063   6.320  -3.164
   94    H    GLY  13           H        GLY  13  -8.461   3.401  -2.817
   95    HA2  GLY  13           2HA      GLY  13  -8.475   1.886  -0.903
   96    HA3  GLY  13           3HA      GLY  13  -9.360   3.119  -0.018
   97    H    VAL  14           H        VAL  14  -9.582   0.864  -2.732
   98    HA   VAL  14           HA       VAL  14 -12.383   1.175  -3.109
   99    HB   VAL  14           HB       VAL  14 -10.601  -1.133  -3.900
  100   HG11  VAL  14          1HG1      VAL  14 -13.464  -0.606  -4.233
  101   HG12  VAL  14          2HG1      VAL  14 -12.622  -1.037  -5.723
  102   HG13  VAL  14          3HG1      VAL  14 -12.568  -2.122  -4.333
  103   HG21  VAL  14          3HG2      VAL  14 -10.725  -0.004  -6.157
  104   HG22  VAL  14          1HG2      VAL  14 -11.383   1.402  -5.320
  105   HG23  VAL  14          2HG2      VAL  14  -9.761   0.826  -4.936
  106    H    GLY  15           H        GLY  15 -10.392  -1.033  -1.212
  107    HA2  GLY  15           2HA      GLY  15 -11.328  -1.823   0.901
  108    HA3  GLY  15           3HA      GLY  15 -12.867  -2.003   0.074
  109    H    LYS  16           H        LYS  16  -9.984  -2.950  -1.576
  110    HA   LYS  16           HA       LYS  16 -10.899  -5.702  -1.602
  111    HB2  LYS  16           2HB      LYS  16  -8.491  -4.483  -2.963
  112    HB3  LYS  16           3HB      LYS  16  -9.202  -6.056  -3.302
  113    HG2  LYS  16           2HG      LYS  16 -10.471  -3.370  -3.792
  114    HG3  LYS  16           3HG      LYS  16  -9.839  -4.482  -5.009
  115    HD2  LYS  16           2HD      LYS  16 -12.142  -5.040  -3.139
  116    HD3  LYS  16           3HD      LYS  16 -12.282  -4.607  -4.845
  117    HE2  LYS  16           2HE      LYS  16 -11.021  -6.632  -5.441
  118    HE3  LYS  16           3HE      LYS  16 -10.929  -7.066  -3.735
  119    HZ1  LYS  16           3HZ      LYS  16 -12.719  -8.224  -4.927
  120    HZ2  LYS  16           1HZ      LYS  16 -13.458  -6.738  -5.256
  121    HZ3  LYS  16           2HZ      LYS  16 -13.306  -7.271  -3.658
  122    H    SER  17           H        SER  17  -7.960  -3.934  -0.665
  123    HA   SER  17           HA       SER  17  -6.414  -6.045   0.213
  124    HB2  SER  17           2HB      SER  17  -5.270  -4.032   0.221
  125    HB3  SER  17           3HB      SER  17  -6.597  -3.161   0.989
  126    HG   SER  17           HG       SER  17  -5.231  -3.389   2.628
  127    H    HIS  18           H        HIS  18  -9.164  -4.545   1.741
  128    HA   HIS  18           HA       HIS  18  -8.875  -5.325   4.373
  129    HB2  HIS  18           2HB      HIS  18 -11.336  -5.086   2.646
  130    HB3  HIS  18           3HB      HIS  18 -11.427  -5.458   4.365
  131    HD1  HIS  18           HD1      HIS  18  -9.100  -2.927   2.783
  132    HD2  HIS  18           HD2      HIS  18 -12.420  -3.077   5.277
  133    HE1  HIS  18           HE1      HIS  18  -9.423  -0.576   3.615
  134    H    VAL  19           H        VAL  19  -9.680  -7.251   1.580
  135    HA   VAL  19           HA       VAL  19 -10.636  -9.525   3.011
  136    HB   VAL  19           HB       VAL  19  -9.528  -9.359   0.205
  137   HG11  VAL  19          1HG1      VAL  19 -10.786 -11.548   1.779
  138   HG12  VAL  19          2HG1      VAL  19 -11.155 -11.428   0.058
  139   HG13  VAL  19          3HG1      VAL  19  -9.484 -11.614   0.591
  140   HG21  VAL  19          3HG2      VAL  19 -11.376  -7.995   0.101
  141   HG22  VAL  19          1HG2      VAL  19 -12.104  -9.565  -0.238
  142   HG23  VAL  19          2HG2      VAL  19 -12.227  -8.867   1.377
  143    H    TRP  20           H        TRP  20  -7.497  -8.508   1.783
  144    HA   TRP  20           HA       TRP  20  -6.282 -10.971   2.810
  145    HB2  TRP  20           2HB      TRP  20  -5.232  -8.808   0.981
  146    HB3  TRP  20           3HB      TRP  20  -4.228 -10.109   1.614
  147    HD1  TRP  20           HD1      TRP  20  -6.937  -9.399  -0.958
  148    HE1  TRP  20           HE1      TRP  20  -7.202 -11.455  -2.483
  149    HE3  TRP  20           HE3      TRP  20  -3.989 -12.697   1.606
  150    HZ2  TRP  20           HZ2      TRP  20  -6.284 -14.123  -2.586
  151    HZ3  TRP  20           HZ3      TRP  20  -3.736 -14.981   0.727
  152    HH2  TRP  20           HH2      TRP  20  -4.861 -15.678  -1.325
  Start of MODEL    2
    1    H1   MET   1           H        MET   1   1.827   0.354   0.853
    2    HA   MET   1           HA       MET   1   1.350  -0.012  -2.031
    3    HB2  MET   1           2HB      MET   1   1.878   2.349  -1.374
    4    HB3  MET   1           3HB      MET   1   3.441   1.787  -0.798
    5    HG2  MET   1           2HG      MET   1   3.596   0.809  -3.242
    6    HG3  MET   1           3HG      MET   1   2.434   2.092  -3.571
    7    HE1  MET   1           3HE      MET   1   5.891   1.347  -4.116
    8    HE2  MET   1           1HE      MET   1   6.886   2.465  -3.183
    9    HE3  MET   1           2HE      MET   1   6.009   1.173  -2.364
   10    H    THR   2           H        THR   2   1.847  -2.255  -0.764
   11    HA   THR   2           HA       THR   2   4.727  -2.761  -1.142
   12    HB   THR   2           HB       THR   2   3.936  -3.060   1.208
   13    HG1  THR   2           HG1      THR   2   5.411  -4.573   1.321
   14   HG21  THR   2          3HG2      THR   2   1.667  -3.882   0.643
   15   HG22  THR   2          1HG2      THR   2   2.516  -4.937   1.771
   16   HG23  THR   2          2HG2      THR   2   2.385  -5.388   0.071
   17    H    GLU   3           H        GLU   3   1.473  -3.750  -1.874
   18    HA   GLU   3           HA       GLU   3   2.442  -5.393  -4.048
   19    HB2  GLU   3           2HB      GLU   3   2.450  -7.102  -2.411
   20    HB3  GLU   3           3HB      GLU   3   0.936  -6.547  -1.710
   21    HG2  GLU   3           2HG      GLU   3  -0.297  -7.312  -3.617
   22    HG3  GLU   3           3HG      GLU   3   1.192  -7.716  -4.469
   23    H    TYR   4           H        TYR   4  -0.593  -5.027  -2.207
   24    HA   TYR   4           HA       TYR   4  -1.920  -4.297  -4.732
   25    HB2  TYR   4           2HB      TYR   4  -4.028  -4.953  -3.353
   26    HB3  TYR   4           3HB      TYR   4  -3.005  -6.225  -4.011
   27    HD1  TYR   4           HD2      TYR   4  -3.367  -4.178  -0.904
   28    HD2  TYR   4           HD1      TYR   4  -2.376  -7.948  -2.608
   29    HE1  TYR   4           HE2      TYR   4  -3.101  -5.121   1.352
   30    HE2  TYR   4           HE1      TYR   4  -2.109  -8.903  -0.357
   31    HH   TYR   4           HH       TYR   4  -2.018  -6.954   2.466
   32    H    LYS   5           H        LYS   5  -1.141  -3.266  -1.545
   33    HA   LYS   5           HA       LYS   5  -3.135  -1.332  -1.125
   34    HB2  LYS   5           2HB      LYS   5  -0.311  -1.618  -0.124
   35    HB3  LYS   5           3HB      LYS   5  -1.312  -0.247   0.335
   36    HG2  LYS   5           2HG      LYS   5  -2.651  -1.493   1.675
   37    HG3  LYS   5           3HG      LYS   5  -2.472  -2.948   0.691
   38    HD2  LYS   5           2HD      LYS   5  -1.244  -3.562   2.520
   39    HD3  LYS   5           3HD      LYS   5   0.022  -2.796   1.556
   40    HE2  LYS   5           2HE      LYS   5  -1.566  -1.141   3.465
   41    HE3  LYS   5           3HE      LYS   5  -0.292  -2.188   4.088
   42    HZ1  LYS   5           3HZ      LYS   5  -0.081   0.194   2.403
   43    HZ2  LYS   5           1HZ      LYS   5   1.060  -1.034   2.176
   44    HZ3  LYS   5           2HZ      LYS   5   0.893  -0.305   3.693
   45    H    LEU   6           H        LEU   6  -0.538  -1.419  -3.327
   46    HA   LEU   6           HA       LEU   6  -0.252   1.439  -3.594
   47    HB2  LEU   6           2HB      LEU   6   1.225   0.900  -5.464
   48    HB3  LEU   6           3HB      LEU   6   1.653   0.008  -4.006
   49    HG   LEU   6           HG       LEU   6   0.015  -1.758  -5.321
   50   HD11  LEU   6          1HD1      LEU   6   0.144  -0.108  -7.267
   51   HD12  LEU   6          2HD1      LEU   6   0.514  -1.799  -7.604
   52   HD13  LEU   6          3HD1      LEU   6   1.821  -0.628  -7.433
   53   HD21  LEU   6          3HD2      LEU   6   2.947  -1.400  -5.001
   54   HD22  LEU   6          1HD2      LEU   6   2.379  -2.651  -6.107
   55   HD23  LEU   6          2HD2      LEU   6   1.890  -2.684  -4.413
   56    H    VAL   7           H        VAL   7  -2.388  -0.925  -4.757
   57    HA   VAL   7           HA       VAL   7  -3.250   0.840  -6.954
   58    HB   VAL   7           HB       VAL   7  -3.717  -2.129  -6.640
   59   HG11  VAL   7          1HG1      VAL   7  -4.487  -1.807  -9.084
   60   HG12  VAL   7          2HG1      VAL   7  -5.594  -1.371  -7.781
   61   HG13  VAL   7          3HG1      VAL   7  -4.692  -0.116  -8.631
   62   HG21  VAL   7          3HG2      VAL   7  -1.683  -0.519  -8.052
   63   HG22  VAL   7          1HG2      VAL   7  -1.583  -2.151  -7.391
   64   HG23  VAL   7          2HG2      VAL   7  -2.367  -1.876  -8.947
   65    H    VAL   8           H        VAL   8  -4.582  -1.528  -4.639
   66    HA   VAL   8           HA       VAL   8  -7.244  -0.620  -4.832
   67    HB   VAL   8           HB       VAL   8  -5.917  -2.076  -2.540
   68   HG11  VAL   8          1HG1      VAL   8  -8.584  -2.813  -2.674
   69   HG12  VAL   8          2HG1      VAL   8  -7.849  -1.739  -1.482
   70   HG13  VAL   8          3HG1      VAL   8  -8.606  -1.068  -2.928
   71   HG21  VAL   8          3HG2      VAL   8  -7.503  -3.187  -4.853
   72   HG22  VAL   8          1HG2      VAL   8  -5.744  -3.221  -4.730
   73   HG23  VAL   8          2HG2      VAL   8  -6.728  -4.106  -3.563
   74    H    VAL   9           H        VAL   9  -4.861  -0.122  -2.220
   75    HA   VAL   9           HA       VAL   9  -6.487   1.934  -1.014
   76    HB   VAL   9           HB       VAL   9  -3.644   1.204  -0.316
   77   HG11  VAL   9          1HG1      VAL   9  -5.609   3.056   0.749
   78   HG12  VAL   9          2HG1      VAL   9  -5.018   1.927   1.970
   79   HG13  VAL   9          3HG1      VAL   9  -3.880   2.933   1.073
   80   HG21  VAL   9          3HG2      VAL   9  -4.561  -0.325   1.339
   81   HG22  VAL   9          1HG2      VAL   9  -6.197   0.040   0.792
   82   HG23  VAL   9          2HG2      VAL   9  -5.073  -0.793  -0.282
   83    H    GLY  10           H        GLY  10  -3.838   1.761  -3.243
   84    HA2  GLY  10           2HA      GLY  10  -2.795   4.366  -2.899
   85    HA3  GLY  10           3HA      GLY  10  -2.626   3.374  -4.340
   86    H    ALA  11           H        ALA  11  -5.704   3.260  -4.341
   87    HA   ALA  11           HA       ALA  11  -6.022   5.704  -5.914
   88    HB1  ALA  11           1HB      ALA  11  -7.291   3.034  -5.908
   89    HB2  ALA  11           2HB      ALA  11  -8.311   4.398  -6.366
   90    HB3  ALA  11           3HB      ALA  11  -6.826   4.069  -7.258
   91    H    GLY  12           H        GLY  12  -7.650   3.922  -3.302
   92    HA2  GLY  12           2HA      GLY  12  -8.283   5.999  -1.668
   93    HA3  GLY  12           3HA      GLY  12  -9.565   6.032  -2.869
   94    H    GLY  13           H        GLY  13  -7.954   3.160  -1.589
   95    HA2  GLY  13           2HA      GLY  13  -8.785   1.337  -0.471
   96    HA3  GLY  13           3HA      GLY  13  -9.809   2.480   0.386
   97    H    VAL  14           H        VAL  14  -9.572   0.753  -2.714
   98    HA   VAL  14           HA       VAL  14 -12.232   1.097  -3.510
   99    HB   VAL  14           HB       VAL  14 -10.508  -1.304  -4.126
  100   HG11  VAL  14          1HG1      VAL  14 -12.549  -0.040  -5.921
  101   HG12  VAL  14          2HG1      VAL  14 -11.869  -1.667  -5.983
  102   HG13  VAL  14          3HG1      VAL  14 -13.013  -1.236  -4.712
  103   HG21  VAL  14          3HG2      VAL  14 -10.354   0.460  -6.261
  104   HG22  VAL  14          1HG2      VAL  14 -10.174   1.483  -4.835
  105   HG23  VAL  14          2HG2      VAL  14  -9.085   0.119  -5.084
  106    H    GLY  15           H        GLY  15 -10.742  -1.245  -1.358
  107    HA2  GLY  15           2HA      GLY  15 -12.146  -2.131   0.433
  108    HA3  GLY  15           3HA      GLY  15 -13.444  -2.267  -0.743
  109    H    LYS  16           H        LYS  16 -10.243  -3.143  -1.703
  110    HA   LYS  16           HA       LYS  16 -11.082  -5.957  -1.777
  111    HB2  LYS  16           2HB      LYS  16  -8.765  -4.717  -3.260
  112    HB3  LYS  16           3HB      LYS  16  -9.523  -6.275  -3.560
  113    HG2  LYS  16           2HG      LYS  16 -10.867  -3.608  -3.944
  114    HG3  LYS  16           3HG      LYS  16 -10.122  -4.564  -5.227
  115    HD2  LYS  16           2HD      LYS  16 -11.958  -5.805  -5.430
  116    HD3  LYS  16           3HD      LYS  16 -11.929  -6.200  -3.710
  117    HE2  LYS  16           2HE      LYS  16 -13.011  -3.972  -3.287
  118    HE3  LYS  16           3HE      LYS  16 -13.214  -3.817  -5.032
  119    HZ1  LYS  16           3HZ      LYS  16 -15.219  -4.694  -4.240
  120    HZ2  LYS  16           1HZ      LYS  16 -14.450  -5.803  -3.220
  121    HZ3  LYS  16           2HZ      LYS  16 -14.408  -6.026  -4.896
  122    H    SER  17           H        SER  17  -8.305  -3.894  -0.976
  123    HA   SER  17           HA       SER  17  -6.546  -5.832  -0.077
  124    HB2  SER  17           2HB      SER  17  -5.657  -3.670  -0.244
  125    HB3  SER  17           3HB      SER  17  -6.967  -2.956   0.695
  126    HG   SER  17           HG       SER  17  -4.761  -3.374   1.702
  127    H    HIS  18           H        HIS  18  -9.398  -4.554   1.442
  128    HA   HIS  18           HA       HIS  18  -8.947  -5.202   4.106
  129    HB2  HIS  18           2HB      HIS  18 -11.496  -5.208   2.486
  130    HB3  HIS  18           3HB      HIS  18 -11.465  -5.449   4.231
  131    HD1  HIS  18           HD1      HIS  18 -10.752  -2.831   1.616
  132    HD2  HIS  18           HD2      HIS  18 -11.208  -3.151   5.733
  133    HE1  HIS  18           HE1      HIS  18 -10.839  -0.467   2.469
  134    H    VAL  19           H        VAL  19  -9.635  -7.253   1.391
  135    HA   VAL  19           HA       VAL  19 -10.547  -9.534   2.782
  136    HB   VAL  19           HB       VAL  19  -9.059  -9.431   0.154
  137   HG11  VAL  19          1HG1      VAL  19 -10.541 -11.552  -0.168
  138   HG12  VAL  19          2HG1      VAL  19  -9.024 -11.666   0.726
  139   HG13  VAL  19          3HG1      VAL  19 -10.556 -11.577   1.595
  140   HG21  VAL  19          3HG2      VAL  19 -11.191  -9.312  -0.923
  141   HG22  VAL  19          1HG2      VAL  19 -12.036  -9.483   0.615
  142   HG23  VAL  19          2HG2      VAL  19 -11.119  -8.017   0.272
  143    H    TRP  20           H        TRP  20  -7.309  -8.589   1.662
  144    HA   TRP  20           HA       TRP  20  -6.136 -10.854   3.079
  145    HB2  TRP  20           2HB      TRP  20  -4.778  -8.745   1.388
  146    HB3  TRP  20           3HB      TRP  20  -4.055 -10.239   1.979
  147    HD1  TRP  20           HD1      TRP  20  -6.571  -8.959  -0.621
  148    HE1  TRP  20           HE1      TRP  20  -6.911 -10.790  -2.397
  149    HE3  TRP  20           HE3      TRP  20  -3.915 -12.731   1.583
  150    HZ2  TRP  20           HZ2      TRP  20  -6.154 -13.478  -2.809
  151    HZ3  TRP  20           HZ3      TRP  20  -3.772 -14.901   0.432
  152    HH2  TRP  20           HH2      TRP  20  -4.869 -15.265  -1.718
  Start of MODEL    3
    1    H1   MET   1           H        MET   1   1.833   0.018   0.918
    2    HA   MET   1           HA       MET   1   1.381  -0.204  -1.985
    3    HB2  MET   1           2HB      MET   1   1.968   2.110  -1.230
    4    HB3  MET   1           3HB      MET   1   3.504   1.480  -0.649
    5    HG2  MET   1           2HG      MET   1   3.673   0.593  -3.128
    6    HG3  MET   1           3HG      MET   1   2.559   1.926  -3.424
    7    HE1  MET   1           3HE      MET   1   3.897   4.891  -2.292
    8    HE2  MET   1           1HE      MET   1   4.367   4.715  -3.983
    9    HE3  MET   1           2HE      MET   1   2.845   4.028  -3.415
   10    H    THR   2           H        THR   2   1.789  -2.517  -0.841
   11    HA   THR   2           HA       THR   2   4.660  -3.092  -1.193
   12    HB   THR   2           HB       THR   2   3.822  -3.473   1.131
   13    HG1  THR   2           HG1      THR   2   4.867  -5.461   1.292
   14   HG21  THR   2          3HG2      THR   2   2.201  -5.662  -0.175
   15   HG22  THR   2          1HG2      THR   2   1.546  -4.197   0.554
   16   HG23  THR   2          2HG2      THR   2   2.369  -5.389   1.559
   17    H    GLU   3           H        GLU   3   1.381  -3.986  -1.974
   18    HA   GLU   3           HA       GLU   3   2.333  -5.544  -4.222
   19    HB2  GLU   3           2HB      GLU   3   2.271  -7.323  -2.663
   20    HB3  GLU   3           3HB      GLU   3   0.765  -6.754  -1.955
   21    HG2  GLU   3           2HG      GLU   3  -0.477  -7.420  -3.877
   22    HG3  GLU   3           3HG      GLU   3   0.999  -7.779  -4.771
   23    H    TYR   4           H        TYR   4  -0.714  -5.172  -2.403
   24    HA   TYR   4           HA       TYR   4  -1.988  -4.298  -4.910
   25    HB2  TYR   4           2HB      TYR   4  -4.130  -4.942  -3.580
   26    HB3  TYR   4           3HB      TYR   4  -3.139  -6.219  -4.276
   27    HD1  TYR   4           HD2      TYR   4  -3.476  -4.285  -1.095
   28    HD2  TYR   4           HD1      TYR   4  -2.578  -8.014  -2.936
   29    HE1  TYR   4           HE2      TYR   4  -3.266  -5.323   1.124
   30    HE2  TYR   4           HE1      TYR   4  -2.366  -9.063  -0.722
   31    HH   TYR   4           HH       TYR   4  -3.131  -7.295   2.229
   32    H    LYS   5           H        LYS   5  -1.217  -3.419  -1.675
   33    HA   LYS   5           HA       LYS   5  -3.154  -1.445  -1.193
   34    HB2  LYS   5           2HB      LYS   5  -0.362  -1.896  -0.181
   35    HB3  LYS   5           3HB      LYS   5  -1.265  -0.462   0.290
   36    HG2  LYS   5           2HG      LYS   5  -2.675  -1.618   1.626
   37    HG3  LYS   5           3HG      LYS   5  -2.647  -3.054   0.600
   38    HD2  LYS   5           2HD      LYS   5  -0.795  -3.915   1.621
   39    HD3  LYS   5           3HD      LYS   5  -0.144  -2.324   2.024
   40    HE2  LYS   5           2HE      LYS   5  -2.615  -3.411   3.341
   41    HE3  LYS   5           3HE      LYS   5  -1.001  -3.783   3.944
   42    HZ1  LYS   5           3HZ      LYS   5  -1.044  -1.867   5.024
   43    HZ2  LYS   5           1HZ      LYS   5  -2.540  -1.458   4.348
   44    HZ3  LYS   5           2HZ      LYS   5  -1.109  -1.037   3.551
   45    H    LEU   6           H        LEU   6  -0.533  -1.516  -3.374
   46    HA   LEU   6           HA       LEU   6  -0.194   1.346  -3.536
   47    HB2  LEU   6           2HB      LEU   6   1.313   0.843  -5.395
   48    HB3  LEU   6           3HB      LEU   6   1.701  -0.095  -3.954
   49    HG   LEU   6           HG       LEU   6   0.064  -1.798  -5.358
   50   HD11  LEU   6          1HD1      LEU   6   0.130  -0.252  -7.286
   51   HD12  LEU   6          2HD1      LEU   6   0.837  -1.828  -7.638
   52   HD13  LEU   6          3HD1      LEU   6   1.883  -0.440  -7.342
   53   HD21  LEU   6          3HD2      LEU   6   2.284  -2.155  -4.168
   54   HD22  LEU   6          1HD2      LEU   6   3.049  -1.713  -5.695
   55   HD23  LEU   6          2HD2      LEU   6   1.990  -3.121  -5.615
   56    H    VAL   7           H        VAL   7  -2.356  -0.932  -4.796
   57    HA   VAL   7           HA       VAL   7  -3.127   0.893  -6.979
   58    HB   VAL   7           HB       VAL   7  -3.778  -2.046  -6.727
   59   HG11  VAL   7          1HG1      VAL   7  -4.905   0.030  -8.308
   60   HG12  VAL   7          2HG1      VAL   7  -4.018  -1.061  -9.374
   61   HG13  VAL   7          3HG1      VAL   7  -5.283  -1.692  -8.319
   62   HG21  VAL   7          3HG2      VAL   7  -1.666  -0.601  -8.311
   63   HG22  VAL   7          1HG2      VAL   7  -1.452  -1.902  -7.139
   64   HG23  VAL   7          2HG2      VAL   7  -2.206  -2.235  -8.698
   65    H    VAL   8           H        VAL   8  -4.573  -1.458  -4.716
   66    HA   VAL   8           HA       VAL   8  -7.199  -0.449  -4.942
   67    HB   VAL   8           HB       VAL   8  -5.970  -2.013  -2.667
   68   HG11  VAL   8          1HG1      VAL   8  -7.904  -1.651  -1.626
   69   HG12  VAL   8          2HG1      VAL   8  -8.599  -0.871  -3.048
   70   HG13  VAL   8          3HG1      VAL   8  -8.673  -2.626  -2.878
   71   HG21  VAL   8          3HG2      VAL   8  -7.753  -3.424  -4.479
   72   HG22  VAL   8          1HG2      VAL   8  -6.317  -2.797  -5.288
   73   HG23  VAL   8          2HG2      VAL   8  -6.148  -3.868  -3.897
   74    H    VAL   9           H        VAL   9  -4.860  -0.117  -2.265
   75    HA   VAL   9           HA       VAL   9  -6.423   1.972  -1.040
   76    HB   VAL   9           HB       VAL   9  -3.621   1.118  -0.316
   77   HG11  VAL   9          1HG1      VAL   9  -5.292   3.166   0.641
   78   HG12  VAL   9          2HG1      VAL   9  -5.289   1.906   1.876
   79   HG13  VAL   9          3HG1      VAL   9  -3.766   2.606   1.325
   80   HG21  VAL   9          3HG2      VAL   9  -6.247   0.016   0.683
   81   HG22  VAL   9          1HG2      VAL   9  -5.084  -0.832  -0.336
   82   HG23  VAL   9          2HG2      VAL   9  -4.652  -0.392   1.316
   83    H    GLY  10           H        GLY  10  -3.733   1.755  -3.219
   84    HA2  GLY  10           2HA      GLY  10  -2.608   4.312  -2.794
   85    HA3  GLY  10           3HA      GLY  10  -2.447   3.350  -4.256
   86    H    ALA  11           H        ALA  11  -5.519   3.340  -4.336
   87    HA   ALA  11           HA       ALA  11  -5.720   5.820  -5.864
   88    HB1  ALA  11           1HB      ALA  11  -6.844   3.181  -6.091
   89    HB2  ALA  11           2HB      ALA  11  -8.115   4.404  -6.114
   90    HB3  ALA  11           3HB      ALA  11  -6.792   4.485  -7.278
   91    H    GLY  12           H        GLY  12  -7.644   4.042  -3.437
   92    HA2  GLY  12           2HA      GLY  12  -8.152   6.216  -1.781
   93    HA3  GLY  12           3HA      GLY  12  -9.451   6.176  -2.964
   94    H    GLY  13           H        GLY  13  -7.809   3.340  -1.680
   95    HA2  GLY  13           2HA      GLY  13  -8.593   1.554  -0.469
   96    HA3  GLY  13           3HA      GLY  13  -9.582   2.721   0.397
   97    H    VAL  14           H        VAL  14  -9.464   0.891  -2.648
   98    HA   VAL  14           HA       VAL  14 -12.154   1.228  -3.356
   99    HB   VAL  14           HB       VAL  14 -10.433  -1.176  -3.974
  100   HG11  VAL  14          1HG1      VAL  14 -11.882  -1.031  -6.114
  101   HG12  VAL  14          2HG1      VAL  14 -12.583  -1.729  -4.652
  102   HG13  VAL  14          3HG1      VAL  14 -12.971  -0.071  -5.114
  103   HG21  VAL  14          3HG2      VAL  14  -9.162   0.690  -4.655
  104   HG22  VAL  14          1HG2      VAL  14  -9.975   0.117  -6.112
  105   HG23  VAL  14          2HG2      VAL  14 -10.584   1.538  -5.263
  106    H    GLY  15           H        GLY  15 -10.580  -1.076  -1.219
  107    HA2  GLY  15           2HA      GLY  15 -11.891  -1.924   0.653
  108    HA3  GLY  15           3HA      GLY  15 -13.258  -2.049  -0.445
  109    H    LYS  16           H        LYS  16 -10.202  -2.992  -1.688
  110    HA   LYS  16           HA       LYS  16 -11.080  -5.787  -1.658
  111    HB2  LYS  16           2HB      LYS  16  -8.809  -4.593  -3.249
  112    HB3  LYS  16           3HB      LYS  16  -9.594  -6.147  -3.502
  113    HG2  LYS  16           2HG      LYS  16 -10.822  -3.431  -3.927
  114    HG3  LYS  16           3HG      LYS  16 -10.313  -4.568  -5.178
  115    HD2  LYS  16           2HD      LYS  16 -12.479  -5.052  -3.132
  116    HD3  LYS  16           3HD      LYS  16 -12.739  -4.632  -4.827
  117    HE2  LYS  16           2HE      LYS  16 -11.254  -6.731  -5.276
  118    HE3  LYS  16           3HE      LYS  16 -11.716  -7.174  -3.633
  119    HZ1  LYS  16           3HZ      LYS  16 -14.091  -6.627  -4.545
  120    HZ2  LYS  16           1HZ      LYS  16 -13.387  -8.141  -4.817
  121    HZ3  LYS  16           2HZ      LYS  16 -13.375  -6.972  -6.039
  122    H    SER  17           H        SER  17  -8.089  -3.902  -1.193
  123    HA   SER  17           HA       SER  17  -6.453  -5.917  -0.257
  124    HB2  SER  17           2HB      SER  17  -5.389  -3.869  -0.661
  125    HB3  SER  17           3HB      SER  17  -6.552  -2.965   0.309
  126    HG   SER  17           HG       SER  17  -4.496  -3.275   1.343
  127    H    HIS  18           H        HIS  18  -9.016  -4.220   1.385
  128    HA   HIS  18           HA       HIS  18  -8.433  -4.698   4.041
  129    HB2  HIS  18           2HB      HIS  18 -11.061  -4.604   2.570
  130    HB3  HIS  18           3HB      HIS  18 -10.982  -4.822   4.315
  131    HD1  HIS  18           HD1      HIS  18  -8.644  -2.506   2.509
  132    HD2  HIS  18           HD2      HIS  18 -12.046  -2.321   4.888
  133    HE1  HIS  18           HE1      HIS  18  -8.919  -0.077   3.101
  134    H    VAL  19           H        VAL  19  -9.561  -6.918   1.597
  135    HA   VAL  19           HA       VAL  19 -10.411  -9.000   3.314
  136    HB   VAL  19           HB       VAL  19  -9.332  -9.266   0.505
  137   HG11  VAL  19          1HG1      VAL  19 -10.857 -11.261   0.480
  138   HG12  VAL  19          2HG1      VAL  19  -9.453 -11.407   1.540
  139   HG13  VAL  19          3HG1      VAL  19 -11.042 -11.055   2.222
  140   HG21  VAL  19          3HG2      VAL  19 -11.775  -8.071   1.517
  141   HG22  VAL  19          1HG2      VAL  19 -11.091  -8.042  -0.109
  142   HG23  VAL  19          2HG2      VAL  19 -12.094  -9.399   0.402
  143    H    TRP  20           H        TRP  20  -7.335  -8.404   1.636
  144    HA   TRP  20           HA       TRP  20  -6.089 -10.690   2.893
  145    HB2  TRP  20           2HB      TRP  20  -5.019  -8.521   1.081
  146    HB3  TRP  20           3HB      TRP  20  -4.029  -9.830   1.720
  147    HD1  TRP  20           HD1      TRP  20  -6.837  -9.150  -0.789
  148    HE1  TRP  20           HE1      TRP  20  -7.036 -11.174  -2.368
  149    HE3  TRP  20           HE3      TRP  20  -3.610 -12.339   1.567
  150    HZ2  TRP  20           HZ2      TRP  20  -5.968 -13.777  -2.585
  151    HZ3  TRP  20           HZ3      TRP  20  -3.255 -14.578   0.610
  152    HH2  TRP  20           HH2      TRP  20  -4.411 -15.280  -1.423
  Start of MODEL    4
    1    H1   MET   1           H        MET   1   1.549   0.134   1.241
    2    HA   MET   1           HA       MET   1   1.346  -0.066  -1.692
    3    HB2  MET   1           2HB      MET   1   1.747   2.266  -0.841
    4    HB3  MET   1           3HB      MET   1   3.277   1.701  -0.185
    5    HG2  MET   1           2HG      MET   1   3.744   0.920  -2.607
    6    HG3  MET   1           3HG      MET   1   2.454   2.041  -3.033
    7    HE1  MET   1           3HE      MET   1   3.491   5.375  -2.448
    8    HE2  MET   1           1HE      MET   1   3.851   4.664  -4.021
    9    HE3  MET   1           2HE      MET   1   2.412   4.160  -3.134
   10    H    THR   2           H        THR   2   1.787  -2.370  -0.545
   11    HA   THR   2           HA       THR   2   4.704  -2.784  -0.663
   12    HB   THR   2           HB       THR   2   3.700  -3.246   1.578
   13    HG1  THR   2           HG1      THR   2   4.617  -5.644   0.363
   14   HG21  THR   2          3HG2      THR   2   1.523  -4.091   0.754
   15   HG22  THR   2          1HG2      THR   2   2.299  -5.200   1.884
   16   HG23  THR   2          2HG2      THR   2   2.339  -5.534   0.152
   17    H    GLU   3           H        GLU   3   1.554  -3.840  -1.724
   18    HA   GLU   3           HA       GLU   3   2.774  -5.312  -3.901
   19    HB2  GLU   3           2HB      GLU   3   2.674  -7.114  -2.371
   20    HB3  GLU   3           3HB      GLU   3   1.086  -6.635  -1.788
   21    HG2  GLU   3           2HG      GLU   3   0.040  -7.351  -3.795
   22    HG3  GLU   3           3HG      GLU   3   1.594  -7.585  -4.593
   23    H    TYR   4           H        TYR   4  -0.431  -5.120  -2.343
   24    HA   TYR   4           HA       TYR   4  -1.533  -4.279  -4.940
   25    HB2  TYR   4           2HB      TYR   4  -3.743  -5.049  -3.800
   26    HB3  TYR   4           3HB      TYR   4  -2.633  -6.264  -4.425
   27    HD1  TYR   4           HD2      TYR   4  -3.333  -4.396  -1.263
   28    HD2  TYR   4           HD1      TYR   4  -2.092  -8.047  -3.061
   29    HE1  TYR   4           HE2      TYR   4  -3.254  -5.455   0.956
   30    HE2  TYR   4           HE1      TYR   4  -2.011  -9.117  -0.848
   31    HH   TYR   4           HH       TYR   4  -2.575  -7.268   2.108
   32    H    LYS   5           H        LYS   5  -1.084  -3.407  -1.643
   33    HA   LYS   5           HA       LYS   5  -3.154  -1.536  -1.316
   34    HB2  LYS   5           2HB      LYS   5  -0.433  -1.822  -0.064
   35    HB3  LYS   5           3HB      LYS   5  -1.507  -0.499   0.368
   36    HG2  LYS   5           2HG      LYS   5  -2.933  -1.841   1.509
   37    HG3  LYS   5           3HG      LYS   5  -2.633  -3.233   0.466
   38    HD2  LYS   5           2HD      LYS   5  -1.617  -3.881   2.440
   39    HD3  LYS   5           3HD      LYS   5  -0.264  -3.191   1.541
   40    HE2  LYS   5           2HE      LYS   5  -0.279  -1.224   2.811
   41    HE3  LYS   5           3HE      LYS   5  -1.901  -1.531   3.430
   42    HZ1  LYS   5           3HZ      LYS   5  -0.362  -1.988   5.159
   43    HZ2  LYS   5           1HZ      LYS   5   0.597  -2.956   4.156
   44    HZ3  LYS   5           2HZ      LYS   5  -0.944  -3.481   4.616
   45    H    LEU   6           H        LEU   6  -0.359  -1.455  -3.261
   46    HA   LEU   6           HA       LEU   6  -0.131   1.422  -3.352
   47    HB2  LEU   6           2HB      LEU   6   1.563   1.028  -5.055
   48    HB3  LEU   6           3HB      LEU   6   1.847   0.040  -3.623
   49    HG   LEU   6           HG       LEU   6   0.425  -1.669  -5.212
   50   HD11  LEU   6          1HD1      LEU   6   2.355  -0.330  -7.076
   51   HD12  LEU   6          2HD1      LEU   6   0.653   0.124  -7.020
   52   HD13  LEU   6          3HD1      LEU   6   1.111  -1.526  -7.439
   53   HD21  LEU   6          3HD2      LEU   6   2.346  -2.372  -4.034
   54   HD22  LEU   6          1HD2      LEU   6   3.385  -1.238  -4.897
   55   HD23  LEU   6          2HD2      LEU   6   2.706  -2.630  -5.742
   56    H    VAL   7           H        VAL   7  -2.080  -0.921  -4.821
   57    HA   VAL   7           HA       VAL   7  -2.746   0.915  -7.029
   58    HB   VAL   7           HB       VAL   7  -3.172  -2.073  -6.882
   59   HG11  VAL   7          1HG1      VAL   7  -4.879  -1.530  -8.266
   60   HG12  VAL   7          2HG1      VAL   7  -4.169   0.023  -8.713
   61   HG13  VAL   7          3HG1      VAL   7  -3.582  -1.464  -9.459
   62   HG21  VAL   7          3HG2      VAL   7  -1.600  -1.725  -9.016
   63   HG22  VAL   7          1HG2      VAL   7  -1.057  -0.358  -8.042
   64   HG23  VAL   7          2HG2      VAL   7  -0.962  -1.996  -7.394
   65    H    VAL   8           H        VAL   8  -4.253  -1.569  -4.956
   66    HA   VAL   8           HA       VAL   8  -6.900  -0.681  -5.388
   67    HB   VAL   8           HB       VAL   8  -5.804  -2.261  -3.056
   68   HG11  VAL   8          1HG1      VAL   8  -7.855  -2.253  -2.209
   69   HG12  VAL   8          2HG1      VAL   8  -8.368  -1.150  -3.488
   70   HG13  VAL   8          3HG1      VAL   8  -8.502  -2.894  -3.719
   71   HG21  VAL   8          3HG2      VAL   8  -7.086  -4.062  -4.596
   72   HG22  VAL   8          1HG2      VAL   8  -6.482  -2.964  -5.838
   73   HG23  VAL   8          2HG2      VAL   8  -5.358  -3.729  -4.715
   74    H    VAL   9           H        VAL   9  -4.837  -0.351  -2.492
   75    HA   VAL   9           HA       VAL   9  -6.599   1.605  -1.332
   76    HB   VAL   9           HB       VAL   9  -3.806   0.898  -0.433
   77   HG11  VAL   9          1HG1      VAL   9  -4.471   2.825   0.706
   78   HG12  VAL   9          2HG1      VAL   9  -6.144   2.279   0.842
   79   HG13  VAL   9          3HG1      VAL   9  -4.884   1.516   1.813
   80   HG21  VAL   9          3HG2      VAL   9  -5.153  -1.132  -0.629
   81   HG22  VAL   9          1HG2      VAL   9  -4.842  -0.735   1.061
   82   HG23  VAL   9          2HG2      VAL   9  -6.420  -0.393   0.350
   83    H    GLY  10           H        GLY  10  -3.744   1.638  -3.306
   84    HA2  GLY  10           2HA      GLY  10  -2.798   4.226  -2.721
   85    HA3  GLY  10           3HA      GLY  10  -2.517   3.350  -4.218
   86    H    ALA  11           H        ALA  11  -5.576   3.190  -4.454
   87    HA   ALA  11           HA       ALA  11  -5.826   5.613  -6.012
   88    HB1  ALA  11           1HB      ALA  11  -8.172   4.561  -6.431
   89    HB2  ALA  11           2HB      ALA  11  -6.737   3.829  -7.151
   90    HB3  ALA  11           3HB      ALA  11  -7.450   3.127  -5.699
   91    H    GLY  12           H        GLY  12  -7.375   4.172  -3.165
   92    HA2  GLY  12           2HA      GLY  12  -7.821   6.497  -1.773
   93    HA3  GLY  12           3HA      GLY  12  -9.227   6.326  -2.814
   94    H    GLY  13           H        GLY  13  -9.161   3.393  -2.701
   95    HA2  GLY  13           2HA      GLY  13  -9.226   1.852  -0.690
   96    HA3  GLY  13           3HA      GLY  13 -10.231   3.098   0.035
   97    H    VAL  14           H        VAL  14 -10.070   0.569  -2.368
   98    HA   VAL  14           HA       VAL  14 -12.834   0.928  -3.166
   99    HB   VAL  14           HB       VAL  14 -10.979  -1.344  -3.880
  100   HG11  VAL  14          1HG1      VAL  14 -12.859  -2.169  -4.758
  101   HG12  VAL  14          2HG1      VAL  14 -13.724  -0.644  -4.556
  102   HG13  VAL  14          3HG1      VAL  14 -12.706  -0.900  -5.974
  103   HG21  VAL  14          3HG2      VAL  14 -10.904   0.096  -6.084
  104   HG22  VAL  14          1HG2      VAL  14 -11.224   1.418  -4.962
  105   HG23  VAL  14          2HG2      VAL  14  -9.791   0.412  -4.753
  106    H    GLY  15           H        GLY  15 -10.912  -1.326  -1.239
  107    HA2  GLY  15           2HA      GLY  15 -11.956  -2.279   0.745
  108    HA3  GLY  15           3HA      GLY  15 -13.442  -2.420  -0.183
  109    H    LYS  16           H        LYS  16 -10.528  -3.216  -1.812
  110    HA   LYS  16           HA       LYS  16 -11.305  -6.041  -1.767
  111    HB2  LYS  16           2HB      LYS  16  -9.278  -4.757  -3.592
  112    HB3  LYS  16           3HB      LYS  16 -10.101  -6.297  -3.805
  113    HG2  LYS  16           2HG      LYS  16 -11.465  -3.614  -3.852
  114    HG3  LYS  16           3HG      LYS  16 -10.943  -4.505  -5.284
  115    HD2  LYS  16           2HD      LYS  16 -13.048  -5.317  -5.220
  116    HD3  LYS  16           3HD      LYS  16 -12.370  -6.415  -4.016
  117    HE2  LYS  16           2HE      LYS  16 -13.392  -5.353  -2.275
  118    HE3  LYS  16           3HE      LYS  16 -13.358  -3.781  -3.072
  119    HZ1  LYS  16           3HZ      LYS  16 -15.509  -5.487  -2.867
  120    HZ2  LYS  16           1HZ      LYS  16 -15.022  -5.595  -4.484
  121    HZ3  LYS  16           2HZ      LYS  16 -15.409  -4.090  -3.816
  122    H    SER  17           H        SER  17  -8.260  -4.178  -1.835
  123    HA   SER  17           HA       SER  17  -6.552  -6.194  -1.038
  124    HB2  SER  17           2HB      SER  17  -5.353  -4.342  -1.653
  125    HB3  SER  17           3HB      SER  17  -6.490  -3.224  -0.899
  126    HG   SER  17           HG       SER  17  -4.931  -3.118   0.534
  127    H    HIS  18           H        HIS  18  -8.754  -4.289   0.876
  128    HA   HIS  18           HA       HIS  18  -7.753  -4.612   3.427
  129    HB2  HIS  18           2HB      HIS  18 -10.554  -4.440   2.359
  130    HB3  HIS  18           3HB      HIS  18 -10.269  -4.678   4.081
  131    HD1  HIS  18           HD1      HIS  18  -8.835  -2.297   1.466
  132    HD2  HIS  18           HD2      HIS  18 -10.360  -2.296   5.331
  133    HE1  HIS  18           HE1      HIS  18  -8.723   0.095   2.233
  134    H    VAL  19           H        VAL  19  -9.316  -6.946   1.364
  135    HA   VAL  19           HA       VAL  19 -10.061  -8.874   3.235
  136    HB   VAL  19           HB       VAL  19  -9.038  -9.326   0.428
  137   HG11  VAL  19          1HG1      VAL  19  -9.000 -11.445   1.307
  138   HG12  VAL  19          2HG1      VAL  19 -10.301 -11.113   2.452
  139   HG13  VAL  19          3HG1      VAL  19 -10.668 -11.356   0.744
  140   HG21  VAL  19          3HG2      VAL  19 -11.883  -9.576   0.780
  141   HG22  VAL  19          1HG2      VAL  19 -11.331  -7.985   1.305
  142   HG23  VAL  19          2HG2      VAL  19 -10.978  -8.546  -0.329
  143    H    TRP  20           H        TRP  20  -6.984  -8.479   1.501
  144    HA   TRP  20           HA       TRP  20  -5.783 -10.557   3.173
  145    HB2  TRP  20           2HB      TRP  20  -4.527  -9.063   0.864
  146    HB3  TRP  20           3HB      TRP  20  -3.936 -10.538   1.626
  147    HD1  TRP  20           HD1      TRP  20  -6.477  -9.291  -0.914
  148    HE1  TRP  20           HE1      TRP  20  -7.488 -11.312  -2.147
  149    HE3  TRP  20           HE3      TRP  20  -4.518 -13.049   1.946
  150    HZ2  TRP  20           HZ2      TRP  20  -7.459 -14.126  -1.934
  151    HZ3  TRP  20           HZ3      TRP  20  -5.059 -15.378   1.364
  152    HH2  TRP  20           HH2      TRP  20  -6.500 -15.903  -0.536
  Start of MODEL    5
    1    H1   MET   1           H        MET   1   1.702   0.245   0.948
    2    HA   MET   1           HA       MET   1   1.490  -0.066  -1.971
    3    HB2  MET   1           2HB      MET   1   2.213   2.166  -0.697
    4    HB3  MET   1           3HB      MET   1   3.786   1.381  -0.750
    5    HG2  MET   1           2HG      MET   1   3.698   1.252  -3.148
    6    HG3  MET   1           3HG      MET   1   2.052   1.882  -3.156
    7    HE1  MET   1           3HE      MET   1   5.498   2.249  -3.401
    8    HE2  MET   1           1HE      MET   1   5.711   3.932  -3.884
    9    HE3  MET   1           2HE      MET   1   5.965   3.459  -2.204
   10    H    THR   2           H        THR   2   1.782  -2.412  -0.765
   11    HA   THR   2           HA       THR   2   4.650  -3.048  -1.029
   12    HB   THR   2           HB       THR   2   3.736  -3.399   1.270
   13    HG1  THR   2           HG1      THR   2   5.482  -4.690   0.343
   14   HG21  THR   2          3HG2      THR   2   1.458  -4.095   0.538
   15   HG22  THR   2          1HG2      THR   2   2.193  -5.199   1.699
   16   HG23  THR   2          2HG2      THR   2   2.146  -5.622  -0.013
   17    H    GLU   3           H        GLU   3   1.373  -3.900  -1.884
   18    HA   GLU   3           HA       GLU   3   2.354  -5.469  -4.112
   19    HB2  GLU   3           2HB      GLU   3   2.250  -7.241  -2.542
   20    HB3  GLU   3           3HB      GLU   3   0.727  -6.667  -1.879
   21    HG2  GLU   3           2HG      GLU   3  -0.431  -7.284  -3.907
   22    HG3  GLU   3           3HG      GLU   3   1.089  -7.773  -4.654
   23    H    TYR   4           H        TYR   4  -0.734  -5.117  -2.361
   24    HA   TYR   4           HA       TYR   4  -1.949  -4.213  -4.886
   25    HB2  TYR   4           2HB      TYR   4  -4.121  -4.862  -3.610
   26    HB3  TYR   4           3HB      TYR   4  -3.114  -6.138  -4.287
   27    HD1  TYR   4           HD2      TYR   4  -3.518  -4.212  -1.108
   28    HD2  TYR   4           HD1      TYR   4  -2.596  -7.940  -2.940
   29    HE1  TYR   4           HE2      TYR   4  -3.363  -5.259   1.113
   30    HE2  TYR   4           HE1      TYR   4  -2.439  -8.997  -0.725
   31    HH   TYR   4           HH       TYR   4  -2.375  -8.634   1.489
   32    H    LYS   5           H        LYS   5  -1.238  -3.352  -1.635
   33    HA   LYS   5           HA       LYS   5  -3.181  -1.387  -1.163
   34    HB2  LYS   5           2HB      LYS   5  -0.419  -1.890  -0.122
   35    HB3  LYS   5           3HB      LYS   5  -1.239  -0.391   0.295
   36    HG2  LYS   5           2HG      LYS   5  -2.711  -1.416   1.667
   37    HG3  LYS   5           3HG      LYS   5  -2.781  -2.878   0.680
   38    HD2  LYS   5           2HD      LYS   5  -1.731  -3.442   2.753
   39    HD3  LYS   5           3HD      LYS   5  -0.487  -3.444   1.501
   40    HE2  LYS   5           2HE      LYS   5   0.594  -2.255   3.125
   41    HE3  LYS   5           3HE      LYS   5  -0.203  -0.936   2.268
   42    HZ1  LYS   5           3HZ      LYS   5  -2.040  -1.763   4.114
   43    HZ2  LYS   5           1HZ      LYS   5  -1.061  -0.387   4.226
   44    HZ3  LYS   5           2HZ      LYS   5  -0.572  -1.834   4.952
   45    H    LEU   6           H        LEU   6  -0.533  -1.431  -3.319
   46    HA   LEU   6           HA       LEU   6  -0.190   1.424  -3.470
   47    HB2  LEU   6           2HB      LEU   6   1.224   0.877  -5.443
   48    HB3  LEU   6           3HB      LEU   6   1.710   0.076  -3.950
   49    HG   LEU   6           HG       LEU   6  -0.000  -1.722  -5.260
   50   HD11  LEU   6          1HD1      LEU   6   0.681  -1.891  -7.460
   51   HD12  LEU   6          2HD1      LEU   6   2.130  -0.921  -7.197
   52   HD13  LEU   6          3HD1      LEU   6   0.546  -0.146  -7.244
   53   HD21  LEU   6          3HD2      LEU   6   2.152  -2.993  -5.552
   54   HD22  LEU   6          1HD2      LEU   6   1.814  -2.441  -3.911
   55   HD23  LEU   6          2HD2      LEU   6   2.986  -1.578  -4.907
   56    H    VAL   7           H        VAL   7  -2.366  -0.842  -4.765
   57    HA   VAL   7           HA       VAL   7  -3.181   1.053  -6.871
   58    HB   VAL   7           HB       VAL   7  -3.686  -1.922  -6.722
   59   HG11  VAL   7          1HG1      VAL   7  -5.347  -1.608  -8.160
   60   HG12  VAL   7          2HG1      VAL   7  -5.076   0.135  -8.119
   61   HG13  VAL   7          3HG1      VAL   7  -4.216  -0.864  -9.291
   62   HG21  VAL   7          3HG2      VAL   7  -2.301  -1.786  -8.901
   63   HG22  VAL   7          1HG2      VAL   7  -1.752  -0.235  -8.265
   64   HG23  VAL   7          2HG2      VAL   7  -1.459  -1.716  -7.353
   65    H    VAL   8           H        VAL   8  -4.606  -1.455  -4.766
   66    HA   VAL   8           HA       VAL   8  -7.240  -0.521  -4.913
   67    HB   VAL   8           HB       VAL   8  -5.961  -2.003  -2.611
   68   HG11  VAL   8          1HG1      VAL   8  -8.694  -2.680  -3.108
   69   HG12  VAL   8          2HG1      VAL   8  -7.962  -2.010  -1.648
   70   HG13  VAL   8          3HG1      VAL   8  -8.550  -0.933  -2.915
   71   HG21  VAL   8          3HG2      VAL   8  -6.886  -2.861  -5.298
   72   HG22  VAL   8          1HG2      VAL   8  -5.567  -3.477  -4.302
   73   HG23  VAL   8          2HG2      VAL   8  -7.233  -3.924  -3.934
   74    H    VAL   9           H        VAL   9  -4.798   0.011  -2.371
   75    HA   VAL   9           HA       VAL   9  -6.474   2.042  -1.136
   76    HB   VAL   9           HB       VAL   9  -3.693   1.208  -0.315
   77   HG11  VAL   9          1HG1      VAL   9  -5.183   1.937   1.908
   78   HG12  VAL   9          2HG1      VAL   9  -3.938   2.901   1.112
   79   HG13  VAL   9          3HG1      VAL   9  -5.633   3.116   0.676
   80   HG21  VAL   9          3HG2      VAL   9  -5.171  -0.746  -0.381
   81   HG22  VAL   9          1HG2      VAL   9  -4.746  -0.311   1.275
   82   HG23  VAL   9          2HG2      VAL   9  -6.336   0.102   0.635
   83    H    GLY  10           H        GLY  10  -3.745   1.813  -3.254
   84    HA2  GLY  10           2HA      GLY  10  -2.675   4.410  -2.809
   85    HA3  GLY  10           3HA      GLY  10  -2.383   3.398  -4.215
   86    H    ALA  11           H        ALA  11  -5.443   3.299  -4.508
   87    HA   ALA  11           HA       ALA  11  -5.595   5.709  -6.150
   88    HB1  ALA  11           1HB      ALA  11  -6.938   3.069  -6.156
   89    HB2  ALA  11           2HB      ALA  11  -7.859   4.446  -6.763
   90    HB3  ALA  11           3HB      ALA  11  -6.311   4.029  -7.497
   91    H    GLY  12           H        GLY  12  -7.633   3.985  -3.778
   92    HA2  GLY  12           2HA      GLY  12  -8.322   6.269  -2.313
   93    HA3  GLY  12           3HA      GLY  12  -9.565   6.020  -3.529
   94    H    GLY  13           H        GLY  13  -7.787   3.422  -1.970
   95    HA2  GLY  13           2HA      GLY  13  -8.506   1.666  -0.679
   96    HA3  GLY  13           3HA      GLY  13  -9.507   2.854   0.143
   97    H    VAL  14           H        VAL  14  -9.422   0.928  -2.850
   98    HA   VAL  14           HA       VAL  14 -12.115   1.128  -3.513
   99    HB   VAL  14           HB       VAL  14 -10.344  -1.278  -3.963
  100   HG11  VAL  14          1HG1      VAL  14 -12.048  -2.172  -5.068
  101   HG12  VAL  14          2HG1      VAL  14 -13.064  -0.823  -4.556
  102   HG13  VAL  14          3HG1      VAL  14 -12.180  -0.733  -6.080
  103   HG21  VAL  14          3HG2      VAL  14 -10.164  -0.063  -6.279
  104   HG22  VAL  14          1HG2      VAL  14 -10.527   1.371  -5.320
  105   HG23  VAL  14          2HG2      VAL  14  -9.107   0.395  -4.944
  106    H    GLY  15           H        GLY  15 -10.490  -1.006  -1.236
  107    HA2  GLY  15           2HA      GLY  15 -11.712  -1.764   0.710
  108    HA3  GLY  15           3HA      GLY  15 -13.146  -1.879  -0.299
  109    H    LYS  16           H        LYS  16 -10.234  -2.996  -1.710
  110    HA   LYS  16           HA       LYS  16 -11.218  -5.742  -1.536
  111    HB2  LYS  16           2HB      LYS  16  -8.951  -4.661  -3.215
  112    HB3  LYS  16           3HB      LYS  16  -9.734  -6.227  -3.379
  113    HG2  LYS  16           2HG      LYS  16 -10.971  -3.535  -3.913
  114    HG3  LYS  16           3HG      LYS  16 -10.502  -4.744  -5.111
  115    HD2  LYS  16           2HD      LYS  16 -12.619  -5.088  -2.987
  116    HD3  LYS  16           3HD      LYS  16 -12.915  -4.778  -4.699
  117    HE2  LYS  16           2HE      LYS  16 -11.807  -6.885  -5.267
  118    HE3  LYS  16           3HE      LYS  16 -11.506  -7.191  -3.557
  119    HZ1  LYS  16           3HZ      LYS  16 -14.065  -7.231  -5.019
  120    HZ2  LYS  16           1HZ      LYS  16 -14.042  -6.967  -3.347
  121    HZ3  LYS  16           2HZ      LYS  16 -13.410  -8.400  -3.987
  122    H    SER  17           H        SER  17  -8.219  -3.904  -1.023
  123    HA   SER  17           HA       SER  17  -6.568  -5.940  -0.161
  124    HB2  SER  17           2HB      SER  17  -5.533  -3.855  -0.458
  125    HB3  SER  17           3HB      SER  17  -6.714  -3.021   0.552
  126    HG   SER  17           HG       SER  17  -5.587  -3.507   2.263
  127    H    HIS  18           H        HIS  18  -9.176  -4.358   1.524
  128    HA   HIS  18           HA       HIS  18  -8.616  -4.959   4.162
  129    HB2  HIS  18           2HB      HIS  18 -11.194  -4.734   2.637
  130    HB3  HIS  18           3HB      HIS  18 -11.202  -5.171   4.343
  131    HD1  HIS  18           HD1      HIS  18  -9.570  -2.429   2.253
  132    HD2  HIS  18           HD2      HIS  18 -11.504  -2.987   5.887
  133    HE1  HIS  18           HE1      HIS  18  -9.677  -0.151   3.314
  134    H    VAL  19           H        VAL  19  -9.650  -7.067   1.592
  135    HA   VAL  19           HA       VAL  19 -10.492  -9.241   3.222
  136    HB   VAL  19           HB       VAL  19  -9.500  -9.318   0.369
  137   HG11  VAL  19          1HG1      VAL  19  -9.524 -11.530   1.026
  138   HG12  VAL  19          2HG1      VAL  19 -10.872 -11.295   2.140
  139   HG13  VAL  19          3HG1      VAL  19 -11.159 -11.326   0.400
  140   HG21  VAL  19          3HG2      VAL  19 -11.395  -7.744   0.768
  141   HG22  VAL  19          1HG2      VAL  19 -11.784  -9.079  -0.317
  142   HG23  VAL  19          2HG2      VAL  19 -12.342  -9.110   1.356
  143    H    TRP  20           H        TRP  20  -7.449  -8.450   1.583
  144    HA   TRP  20           HA       TRP  20  -6.149 -10.826   2.590
  145    HB2  TRP  20           2HB      TRP  20  -5.142  -8.454   1.014
  146    HB3  TRP  20           3HB      TRP  20  -4.109  -9.787   1.522
  147    HD1  TRP  20           HD1      TRP  20  -6.905  -8.934  -0.938
  148    HE1  TRP  20           HE1      TRP  20  -7.053 -10.803  -2.701
  149    HE3  TRP  20           HE3      TRP  20  -3.656 -12.280   1.154
  150    HZ2  TRP  20           HZ2      TRP  20  -5.939 -13.358  -3.146
  151    HZ3  TRP  20           HZ3      TRP  20  -3.253 -14.414  -0.004
  152    HH2  TRP  20           HH2      TRP  20  -4.372 -14.940  -2.109
  Start of MODEL    6
    1    H1   MET   1           H        MET   1   0.924   0.891  -1.186
    2    HA   MET   1           HA       MET   1   2.921   0.222  -2.522
    3    HB2  MET   1           2HB      MET   1   2.984   2.101  -0.804
    4    HB3  MET   1           3HB      MET   1   3.719   0.942   0.295
    5    HG2  MET   1           2HG      MET   1   5.670   0.813  -0.933
    6    HG3  MET   1           3HG      MET   1   4.901   1.401  -2.406
    7    HE1  MET   1           3HE      MET   1   7.170   2.542  -2.538
    8    HE2  MET   1           1HE      MET   1   6.134   3.826  -3.163
    9    HE3  MET   1           2HE      MET   1   7.399   4.204  -1.993
   10    H    THR   2           H        THR   2   1.731  -2.178  -1.134
   11    HA   THR   2           HA       THR   2   4.261  -3.569  -0.535
   12    HB   THR   2           HB       THR   2   2.699  -3.406   1.409
   13    HG1  THR   2           HG1      THR   2   3.674  -5.208   1.904
   14   HG21  THR   2          3HG2      THR   2   0.955  -5.430   0.065
   15   HG22  THR   2          1HG2      THR   2   0.664  -3.712  -0.204
   16   HG23  THR   2          2HG2      THR   2   0.597  -4.372   1.430
   17    H    GLU   3           H        GLU   3   1.241  -3.617  -2.284
   18    HA   GLU   3           HA       GLU   3   2.217  -5.306  -4.304
   19    HB2  GLU   3           2HB      GLU   3   2.067  -7.151  -2.833
   20    HB3  GLU   3           3HB      GLU   3   0.521  -6.614  -2.189
   21    HG2  GLU   3           2HG      GLU   3  -0.611  -7.208  -4.193
   22    HG3  GLU   3           3HG      GLU   3   0.910  -7.504  -5.033
   23    H    TYR   4           H        TYR   4  -0.940  -5.017  -2.666
   24    HA   TYR   4           HA       TYR   4  -2.060  -4.048  -5.211
   25    HB2  TYR   4           2HB      TYR   4  -4.278  -4.744  -4.042
   26    HB3  TYR   4           3HB      TYR   4  -3.239  -5.993  -4.720
   27    HD1  TYR   4           HD2      TYR   4  -3.783  -4.176  -1.499
   28    HD2  TYR   4           HD1      TYR   4  -2.757  -7.835  -3.412
   29    HE1  TYR   4           HE2      TYR   4  -3.709  -5.293   0.691
   30    HE2  TYR   4           HE1      TYR   4  -2.681  -8.963  -1.228
   31    HH   TYR   4           HH       TYR   4  -2.415  -8.443   1.104
   32    H    LYS   5           H        LYS   5  -1.491  -3.290  -1.904
   33    HA   LYS   5           HA       LYS   5  -3.459  -1.348  -1.451
   34    HB2  LYS   5           2HB      LYS   5  -0.742  -1.880  -0.314
   35    HB3  LYS   5           3HB      LYS   5  -1.573  -0.389   0.109
   36    HG2  LYS   5           2HG      LYS   5  -3.119  -1.447   1.379
   37    HG3  LYS   5           3HG      LYS   5  -3.122  -2.893   0.367
   38    HD2  LYS   5           2HD      LYS   5  -1.823  -3.897   1.866
   39    HD3  LYS   5           3HD      LYS   5  -0.556  -2.720   1.516
   40    HE2  LYS   5           2HE      LYS   5  -2.748  -1.922   3.360
   41    HE3  LYS   5           3HE      LYS   5  -1.528  -3.047   3.957
   42    HZ1  LYS   5           3HZ      LYS   5   0.055  -1.244   2.892
   43    HZ2  LYS   5           1HZ      LYS   5  -0.525  -1.099   4.475
   44    HZ3  LYS   5           2HZ      LYS   5  -1.262  -0.234   3.223
   45    H    LEU   6           H        LEU   6  -0.704  -1.308  -3.479
   46    HA   LEU   6           HA       LEU   6  -0.379   1.550  -3.533
   47    HB2  LEU   6           2HB      LEU   6   1.113   1.067  -5.469
   48    HB3  LEU   6           3HB      LEU   6   1.548   0.237  -3.977
   49    HG   LEU   6           HG       LEU   6  -0.037  -1.604  -5.287
   50   HD11  LEU   6          1HD1      LEU   6   0.182  -0.008  -7.276
   51   HD12  LEU   6          2HD1      LEU   6   0.563  -1.709  -7.539
   52   HD13  LEU   6          3HD1      LEU   6   1.864  -0.535  -7.345
   53   HD21  LEU   6          3HD2      LEU   6   2.351  -2.520  -5.914
   54   HD22  LEU   6          1HD2      LEU   6   1.809  -2.453  -4.237
   55   HD23  LEU   6          2HD2      LEU   6   2.883  -1.203  -4.867
   56    H    VAL   7           H        VAL   7  -2.484  -0.684  -4.992
   57    HA   VAL   7           HA       VAL   7  -3.208   1.262  -7.084
   58    HB   VAL   7           HB       VAL   7  -3.762  -1.708  -6.999
   59   HG11  VAL   7          1HG1      VAL   7  -5.557  -0.884  -8.188
   60   HG12  VAL   7          2HG1      VAL   7  -4.639   0.475  -8.839
   61   HG13  VAL   7          3HG1      VAL   7  -4.378  -1.151  -9.471
   62   HG21  VAL   7          3HG2      VAL   7  -2.302  -1.324  -9.224
   63   HG22  VAL   7          1HG2      VAL   7  -1.624  -0.063  -8.195
   64   HG23  VAL   7          2HG2      VAL   7  -1.599  -1.743  -7.661
   65    H    VAL   8           H        VAL   8  -4.710  -1.221  -5.006
   66    HA   VAL   8           HA       VAL   8  -7.338  -0.269  -5.260
   67    HB   VAL   8           HB       VAL   8  -6.117  -1.815  -2.969
   68   HG11  VAL   8          1HG1      VAL   8  -8.106  -1.114  -2.066
   69   HG12  VAL   8          2HG1      VAL   8  -8.914  -1.029  -3.632
   70   HG13  VAL   8          3HG1      VAL   8  -8.621  -2.594  -2.874
   71   HG21  VAL   8          3HG2      VAL   8  -5.856  -3.342  -4.609
   72   HG22  VAL   8          1HG2      VAL   8  -7.583  -3.602  -4.362
   73   HG23  VAL   8          2HG2      VAL   8  -7.026  -2.559  -5.671
   74    H    VAL   9           H        VAL   9  -5.010   0.190  -2.597
   75    HA   VAL   9           HA       VAL   9  -6.697   2.240  -1.419
   76    HB   VAL   9           HB       VAL   9  -3.955   1.368  -0.509
   77   HG11  VAL   9          1HG1      VAL   9  -5.976   3.234   0.476
   78   HG12  VAL   9          2HG1      VAL   9  -5.407   2.091   1.693
   79   HG13  VAL   9          3HG1      VAL   9  -4.256   3.124   0.847
   80   HG21  VAL   9          3HG2      VAL   9  -5.467  -0.563  -0.646
   81   HG22  VAL   9          1HG2      VAL   9  -5.070  -0.156   1.024
   82   HG23  VAL   9          2HG2      VAL   9  -6.639   0.292   0.356
   83    H    GLY  10           H        GLY  10  -3.882   1.999  -3.428
   84    HA2  GLY  10           2HA      GLY  10  -2.804   4.578  -2.927
   85    HA3  GLY  10           3HA      GLY  10  -2.481   3.579  -4.336
   86    H    ALA  11           H        ALA  11  -5.525   3.519  -4.735
   87    HA   ALA  11           HA       ALA  11  -5.600   5.961  -6.337
   88    HB1  ALA  11           1HB      ALA  11  -6.954   3.329  -6.450
   89    HB2  ALA  11           2HB      ALA  11  -7.845   4.723  -7.062
   90    HB3  ALA  11           3HB      ALA  11  -6.272   4.313  -7.745
   91    H    GLY  12           H        GLY  12  -7.357   4.343  -3.739
   92    HA2  GLY  12           2HA      GLY  12  -8.295   6.749  -2.619
   93    HA3  GLY  12           3HA      GLY  12  -9.574   6.052  -3.603
   94    H    GLY  13           H        GLY  13  -9.227   3.356  -3.146
   95    HA2  GLY  13           2HA      GLY  13  -8.858   1.971  -1.064
   96    HA3  GLY  13           3HA      GLY  13  -9.835   3.191  -0.260
   97    H    VAL  14           H        VAL  14  -9.857   0.560  -2.576
   98    HA   VAL  14           HA       VAL  14 -12.711   0.649  -2.959
   99    HB   VAL  14           HB       VAL  14 -10.830  -1.603  -3.668
  100   HG11  VAL  14          1HG1      VAL  14 -13.634  -0.879  -4.429
  101   HG12  VAL  14          2HG1      VAL  14 -12.628  -1.847  -5.509
  102   HG13  VAL  14          3HG1      VAL  14 -12.991  -2.427  -3.883
  103   HG21  VAL  14          3HG2      VAL  14  -9.924   0.307  -4.729
  104   HG22  VAL  14          1HG2      VAL  14 -10.877  -0.525  -5.958
  105   HG23  VAL  14          2HG2      VAL  14 -11.521   0.913  -5.167
  106    H    GLY  15           H        GLY  15 -10.423  -1.293  -1.088
  107    HA2  GLY  15           2HA      GLY  15 -11.212  -2.020   1.127
  108    HA3  GLY  15           3HA      GLY  15 -12.734  -2.439   0.354
  109    H    LYS  16           H        LYS  16  -9.857  -3.132  -1.393
  110    HA   LYS  16           HA       LYS  16 -10.416  -5.952  -1.296
  111    HB2  LYS  16           2HB      LYS  16  -8.096  -4.502  -2.583
  112    HB3  LYS  16           3HB      LYS  16  -8.578  -6.166  -2.886
  113    HG2  LYS  16           2HG      LYS  16 -10.152  -3.689  -3.555
  114    HG3  LYS  16           3HG      LYS  16  -9.323  -4.758  -4.689
  115    HD2  LYS  16           2HD      LYS  16 -11.633  -5.529  -2.904
  116    HD3  LYS  16           3HD      LYS  16 -11.736  -5.191  -4.634
  117    HE2  LYS  16           2HE      LYS  16 -10.090  -7.386  -3.378
  118    HE3  LYS  16           3HE      LYS  16 -11.665  -7.605  -4.139
  119    HZ1  LYS  16           3HZ      LYS  16  -9.838  -8.164  -5.634
  120    HZ2  LYS  16           1HZ      LYS  16  -9.231  -6.590  -5.506
  121    HZ3  LYS  16           2HZ      LYS  16 -10.737  -6.861  -6.228
  122    H    SER  17           H        SER  17  -7.653  -3.913  -0.350
  123    HA   SER  17           HA       SER  17  -6.009  -5.861   0.707
  124    HB2  SER  17           2HB      SER  17  -5.094  -3.695   0.535
  125    HB3  SER  17           3HB      SER  17  -6.418  -2.969   1.446
  126    HG   SER  17           HG       SER  17  -4.935  -3.114   2.973
  127    H    HIS  18           H        HIS  18  -8.876  -4.412   2.076
  128    HA   HIS  18           HA       HIS  18  -8.602  -5.066   4.754
  129    HB2  HIS  18           2HB      HIS  18 -11.107  -5.077   3.058
  130    HB3  HIS  18           3HB      HIS  18 -11.089  -5.109   4.819
  131    HD1  HIS  18           HD1      HIS  18  -8.524  -2.944   4.555
  132    HD2  HIS  18           HD2      HIS  18 -12.494  -2.568   3.388
  133    HE1  HIS  18           HE1      HIS  18  -8.962  -0.470   4.449
  134    H    VAL  19           H        VAL  19  -9.259  -7.115   2.026
  135    HA   VAL  19           HA       VAL  19 -10.129  -9.359   3.620
  136    HB   VAL  19           HB       VAL  19  -9.310  -9.332   0.713
  137   HG11  VAL  19          1HG1      VAL  19 -10.410 -11.366   2.541
  138   HG12  VAL  19          2HG1      VAL  19 -11.159 -11.277   0.945
  139   HG13  VAL  19          3HG1      VAL  19  -9.423 -11.554   1.092
  140   HG21  VAL  19          3HG2      VAL  19 -11.170  -8.198   0.276
  141   HG22  VAL  19          1HG2      VAL  19 -12.112  -9.502   0.999
  142   HG23  VAL  19          2HG2      VAL  19 -11.574  -8.148   1.992
  143    H    TRP  20           H        TRP  20  -7.317  -8.749   1.509
  144    HA   TRP  20           HA       TRP  20  -5.886 -10.941   2.788
  145    HB2  TRP  20           2HB      TRP  20  -4.971  -9.150   0.530
  146    HB3  TRP  20           3HB      TRP  20  -4.238 -10.669   1.037
  147    HD1  TRP  20           HD1      TRP  20  -7.134  -9.271  -0.993
  148    HE1  TRP  20           HE1      TRP  20  -8.243 -11.191  -2.301
  149    HE3  TRP  20           HE3      TRP  20  -4.699 -13.224   1.148
  150    HZ2  TRP  20           HZ2      TRP  20  -8.104 -14.008  -2.409
  151    HZ3  TRP  20           HZ3      TRP  20  -5.246 -15.499   0.386
  152    HH2  TRP  20           HH2      TRP  20  -6.914 -15.881  -1.355
  Start of MODEL    7
    1    H1   MET   1           H        MET   1   1.751   0.311   0.919
    2    HA   MET   1           HA       MET   1   1.318  -0.031  -1.974
    3    HB2  MET   1           2HB      MET   1   1.846   2.330  -1.336
    4    HB3  MET   1           3HB      MET   1   3.389   1.769  -0.708
    5    HG2  MET   1           2HG      MET   1   3.608   0.761  -3.136
    6    HG3  MET   1           3HG      MET   1   2.466   2.049  -3.511
    7    HE1  MET   1           3HE      MET   1   6.869   2.457  -2.358
    8    HE2  MET   1           1HE      MET   1   5.775   1.574  -1.293
    9    HE3  MET   1           2HE      MET   1   6.031   1.021  -2.947
   10    H    THR   2           H        THR   2   1.770  -2.279  -0.741
   11    HA   THR   2           HA       THR   2   4.658  -2.799  -1.034
   12    HB   THR   2           HB       THR   2   3.800  -3.101   1.295
   13    HG1  THR   2           HG1      THR   2   4.961  -4.971   1.563
   14   HG21  THR   2          3HG2      THR   2   2.272  -5.414   0.096
   15   HG22  THR   2          1HG2      THR   2   1.547  -3.916   0.679
   16   HG23  THR   2          2HG2      THR   2   2.371  -4.994   1.805
   17    H    GLU   3           H        GLU   3   1.408  -3.811  -1.802
   18    HA   GLU   3           HA       GLU   3   2.423  -5.438  -3.974
   19    HB2  GLU   3           2HB      GLU   3   2.384  -7.150  -2.341
   20    HB3  GLU   3           3HB      GLU   3   0.858  -6.586  -1.673
   21    HG2  GLU   3           2HG      GLU   3  -0.343  -7.352  -3.591
   22    HG3  GLU   3           3HG      GLU   3   1.156  -7.739  -4.434
   23    H    TYR   4           H        TYR   4  -0.653  -5.060  -2.206
   24    HA   TYR   4           HA       TYR   4  -1.918  -4.328  -4.762
   25    HB2  TYR   4           2HB      TYR   4  -4.060  -4.958  -3.425
   26    HB3  TYR   4           3HB      TYR   4  -3.033  -6.243  -4.053
   27    HD1  TYR   4           HD2      TYR   4  -3.447  -4.175  -0.966
   28    HD2  TYR   4           HD1      TYR   4  -2.447  -7.962  -2.627
   29    HE1  TYR   4           HE2      TYR   4  -3.237  -5.107   1.300
   30    HE2  TYR   4           HE1      TYR   4  -2.235  -8.905  -0.365
   31    HH   TYR   4           HH       TYR   4  -1.919  -8.257   1.878
   32    H    LYS   5           H        LYS   5  -1.200  -3.284  -1.564
   33    HA   LYS   5           HA       LYS   5  -3.185  -1.336  -1.191
   34    HB2  LYS   5           2HB      LYS   5  -0.423  -1.748  -0.113
   35    HB3  LYS   5           3HB      LYS   5  -1.260  -0.239   0.222
   36    HG2  LYS   5           2HG      LYS   5  -2.754  -1.213   1.618
   37    HG3  LYS   5           3HG      LYS   5  -2.755  -2.739   0.732
   38    HD2  LYS   5           2HD      LYS   5  -1.648  -3.372   2.637
   39    HD3  LYS   5           3HD      LYS   5  -0.284  -2.880   1.631
   40    HE2  LYS   5           2HE      LYS   5  -0.041  -0.843   2.764
   41    HE3  LYS   5           3HE      LYS   5  -1.648  -0.950   3.480
   42    HZ1  LYS   5           3HZ      LYS   5   0.016  -1.435   5.126
   43    HZ2  LYS   5           1HZ      LYS   5   0.695  -2.644   4.157
   44    HZ3  LYS   5           2HZ      LYS   5  -0.857  -2.846   4.798
   45    H    LEU   6           H        LEU   6  -0.544  -1.446  -3.345
   46    HA   LEU   6           HA       LEU   6  -0.283   1.417  -3.639
   47    HB2  LEU   6           2HB      LEU   6   1.294   0.886  -5.413
   48    HB3  LEU   6           3HB      LEU   6   1.657  -0.014  -3.942
   49    HG   LEU   6           HG       LEU   6   0.111  -1.793  -5.330
   50   HD11  LEU   6          1HD1      LEU   6   0.088  -0.335  -7.299
   51   HD12  LEU   6          2HD1      LEU   6   0.944  -1.845  -7.611
   52   HD13  LEU   6          3HD1      LEU   6   1.852  -0.359  -7.332
   53   HD21  LEU   6          3HD2      LEU   6   3.090  -1.402  -5.204
   54   HD22  LEU   6          1HD2      LEU   6   2.346  -2.825  -5.932
   55   HD23  LEU   6          2HD2      LEU   6   2.082  -2.468  -4.225
   56    H    VAL   7           H        VAL   7  -2.374  -0.967  -4.790
   57    HA   VAL   7           HA       VAL   7  -3.142   0.703  -7.094
   58    HB   VAL   7           HB       VAL   7  -3.769  -2.224  -6.694
   59   HG11  VAL   7          1HG1      VAL   7  -4.536  -0.192  -8.673
   60   HG12  VAL   7          2HG1      VAL   7  -3.993  -1.729  -9.348
   61   HG13  VAL   7          3HG1      VAL   7  -5.342  -1.691  -8.211
   62   HG21  VAL   7          3HG2      VAL   7  -1.393  -2.001  -6.982
   63   HG22  VAL   7          1HG2      VAL   7  -2.089  -2.595  -8.490
   64   HG23  VAL   7          2HG2      VAL   7  -1.616  -0.902  -8.342
   65    H    VAL   8           H        VAL   8  -4.568  -1.544  -4.716
   66    HA   VAL   8           HA       VAL   8  -7.215  -0.617  -5.045
   67    HB   VAL   8           HB       VAL   8  -5.981  -2.020  -2.670
   68   HG11  VAL   8          1HG1      VAL   8  -7.935  -1.767  -1.650
   69   HG12  VAL   8          2HG1      VAL   8  -8.570  -0.879  -3.037
   70   HG13  VAL   8          3HG1      VAL   8  -8.720  -2.635  -2.969
   71   HG21  VAL   8          3HG2      VAL   8  -7.113  -4.024  -3.715
   72   HG22  VAL   8          1HG2      VAL   8  -7.323  -3.039  -5.163
   73   HG23  VAL   8          2HG2      VAL   8  -5.702  -3.404  -4.573
   74    H    VAL   9           H        VAL   9  -4.931  -0.071  -2.356
   75    HA   VAL   9           HA       VAL   9  -6.564   2.040  -1.272
   76    HB   VAL   9           HB       VAL   9  -3.743   1.321  -0.478
   77   HG11  VAL   9          1HG1      VAL   9  -4.715   2.163   1.768
   78   HG12  VAL   9          2HG1      VAL   9  -4.247   3.344   0.543
   79   HG13  VAL   9          3HG1      VAL   9  -5.946   2.925   0.762
   80   HG21  VAL   9          3HG2      VAL   9  -5.426   0.204   1.396
   81   HG22  VAL   9          1HG2      VAL   9  -6.231  -0.149  -0.134
   82   HG23  VAL   9          2HG2      VAL   9  -4.565  -0.667   0.127
   83    H    GLY  10           H        GLY  10  -3.737   1.779  -3.308
   84    HA2  GLY  10           2HA      GLY  10  -2.738   4.389  -3.058
   85    HA3  GLY  10           3HA      GLY  10  -2.527   3.351  -4.460
   86    H    ALA  11           H        ALA  11  -5.571   3.222  -4.637
   87    HA   ALA  11           HA       ALA  11  -5.824   5.572  -6.330
   88    HB1  ALA  11           1HB      ALA  11  -6.774   2.944  -6.469
   89    HB2  ALA  11           2HB      ALA  11  -8.199   3.956  -6.228
   90    HB3  ALA  11           3HB      ALA  11  -7.114   4.269  -7.583
   91    H    GLY  12           H        GLY  12  -7.099   4.299  -3.330
   92    HA2  GLY  12           2HA      GLY  12  -7.802   6.617  -2.127
   93    HA3  GLY  12           3HA      GLY  12  -9.195   6.282  -3.145
   94    H    GLY  13           H        GLY  13  -8.638   3.320  -2.758
   95    HA2  GLY  13           2HA      GLY  13  -8.738   1.834  -0.831
   96    HA3  GLY  13           3HA      GLY  13  -9.606   3.102   0.022
   97    H    VAL  14           H        VAL  14  -9.851   0.907  -2.754
   98    HA   VAL  14           HA       VAL  14 -12.640   1.255  -3.128
   99    HB   VAL  14           HB       VAL  14 -10.979  -1.143  -3.909
  100   HG11  VAL  14          1HG1      VAL  14 -13.748  -0.349  -4.346
  101   HG12  VAL  14          2HG1      VAL  14 -12.888  -0.724  -5.840
  102   HG13  VAL  14          3HG1      VAL  14 -12.974  -1.921  -4.547
  103   HG21  VAL  14          3HG2      VAL  14 -11.473   1.436  -5.395
  104   HG22  VAL  14          1HG2      VAL  14  -9.930   0.861  -4.762
  105   HG23  VAL  14          2HG2      VAL  14 -10.717  -0.000  -6.085
  106    H    GLY  15           H        GLY  15 -10.709  -1.043  -1.266
  107    HA2  GLY  15           2HA      GLY  15 -11.659  -1.843   0.835
  108    HA3  GLY  15           3HA      GLY  15 -13.210  -1.950   0.015
  109    H    LYS  16           H        LYS  16 -10.388  -2.968  -1.690
  110    HA   LYS  16           HA       LYS  16 -11.364  -5.720  -1.611
  111    HB2  LYS  16           2HB      LYS  16  -9.176  -4.549  -3.334
  112    HB3  LYS  16           3HB      LYS  16  -9.967  -6.105  -3.544
  113    HG2  LYS  16           2HG      LYS  16 -11.230  -3.392  -3.873
  114    HG3  LYS  16           3HG      LYS  16 -10.812  -4.529  -5.156
  115    HD2  LYS  16           2HD      LYS  16 -12.826  -5.013  -2.960
  116    HD3  LYS  16           3HD      LYS  16 -13.207  -4.593  -4.632
  117    HE2  LYS  16           2HE      LYS  16 -12.026  -6.658  -5.355
  118    HE3  LYS  16           3HE      LYS  16 -11.820  -7.088  -3.657
  119    HZ1  LYS  16           3HZ      LYS  16 -14.290  -6.977  -3.467
  120    HZ2  LYS  16           1HZ      LYS  16 -13.721  -8.224  -4.459
  121    HZ3  LYS  16           2HZ      LYS  16 -14.369  -6.823  -5.149
  122    H    SER  17           H        SER  17  -8.310  -3.940  -1.198
  123    HA   SER  17           HA       SER  17  -6.659  -6.036  -0.490
  124    HB2  SER  17           2HB      SER  17  -5.504  -4.049  -0.734
  125    HB3  SER  17           3HB      SER  17  -6.698  -3.120   0.172
  126    HG   SER  17           HG       SER  17  -5.011  -3.302   1.537
  127    H    HIS  18           H        HIS  18  -9.124  -4.441   1.390
  128    HA   HIS  18           HA       HIS  18  -8.427  -5.128   3.972
  129    HB2  HIS  18           2HB      HIS  18 -11.101  -4.849   2.623
  130    HB3  HIS  18           3HB      HIS  18 -10.981  -5.263   4.330
  131    HD1  HIS  18           HD1      HIS  18  -9.052  -2.671   2.318
  132    HD2  HIS  18           HD2      HIS  18 -11.558  -2.957   5.619
  133    HE1  HIS  18           HE1      HIS  18  -9.152  -0.353   3.289
  134    H    VAL  19           H        VAL  19  -9.682  -7.140   1.418
  135    HA   VAL  19           HA       VAL  19 -10.557  -9.328   2.951
  136    HB   VAL  19           HB       VAL  19  -9.413  -9.340   0.154
  137   HG11  VAL  19          1HG1      VAL  19  -9.388 -11.571   0.845
  138   HG12  VAL  19          2HG1      VAL  19 -10.888 -11.401   1.759
  139   HG13  VAL  19          3HG1      VAL  19 -10.925 -11.406  -0.004
  140   HG21  VAL  19          3HG2      VAL  19 -11.830  -8.253   1.193
  141   HG22  VAL  19          1HG2      VAL  19 -11.282  -8.327  -0.482
  142   HG23  VAL  19          2HG2      VAL  19 -12.228  -9.652   0.195
  143    H    TRP  20           H        TRP  20  -7.391  -8.526   1.593
  144    HA   TRP  20           HA       TRP  20  -6.191 -10.971   2.536
  145    HB2  TRP  20           2HB      TRP  20  -5.028  -8.469   1.303
  146    HB3  TRP  20           3HB      TRP  20  -4.056  -9.859   1.778
  147    HD1  TRP  20           HD1      TRP  20  -6.675  -8.785  -0.810
  148    HE1  TRP  20           HE1      TRP  20  -6.615 -10.451  -2.771
  149    HE3  TRP  20           HE3      TRP  20  -3.455 -12.237   1.153
  150    HZ2  TRP  20           HZ2      TRP  20  -5.369 -12.903  -3.403
  151    HZ3  TRP  20           HZ3      TRP  20  -2.880 -14.214  -0.194
  152    HH2  TRP  20           HH2      TRP  20  -3.819 -14.539  -2.424
  Start of MODEL    8
    1    H1   MET   1           H        MET   1   1.599   0.303   0.996
    2    HA   MET   1           HA       MET   1   1.290   0.006  -1.920
    3    HB2  MET   1           2HB      MET   1   1.763   2.342  -1.132
    4    HB3  MET   1           3HB      MET   1   3.302   1.763  -0.510
    5    HG2  MET   1           2HG      MET   1   3.655   0.916  -2.944
    6    HG3  MET   1           3HG      MET   1   2.406   2.098  -3.332
    7    HE1  MET   1           3HE      MET   1   6.736   2.794  -2.193
    8    HE2  MET   1           1HE      MET   1   5.737   2.228  -0.854
    9    HE3  MET   1           2HE      MET   1   5.857   1.270  -2.330
   10    H    THR   2           H        THR   2   1.732  -2.290  -0.762
   11    HA   THR   2           HA       THR   2   4.635  -2.759  -0.980
   12    HB   THR   2           HB       THR   2   3.705  -3.173   1.302
   13    HG1  THR   2           HG1      THR   2   5.284  -4.569   1.346
   14   HG21  THR   2          3HG2      THR   2   2.288  -5.106   1.680
   15   HG22  THR   2          1HG2      THR   2   2.247  -5.448  -0.049
   16   HG23  THR   2          2HG2      THR   2   1.485  -3.986   0.580
   17    H    GLU   3           H        GLU   3   1.430  -3.773  -1.908
   18    HA   GLU   3           HA       GLU   3   2.542  -5.293  -4.110
   19    HB2  GLU   3           2HB      GLU   3   2.469  -7.073  -2.553
   20    HB3  GLU   3           3HB      GLU   3   0.912  -6.560  -1.919
   21    HG2  GLU   3           2HG      GLU   3  -0.211  -7.268  -3.898
   22    HG3  GLU   3           3HG      GLU   3   1.318  -7.575  -4.719
   23    H    TYR   4           H        TYR   4  -0.598  -5.028  -2.436
   24    HA   TYR   4           HA       TYR   4  -1.784  -4.201  -5.001
   25    HB2  TYR   4           2HB      TYR   4  -3.962  -4.918  -3.772
   26    HB3  TYR   4           3HB      TYR   4  -2.895  -6.160  -4.415
   27    HD1  TYR   4           HD2      TYR   4  -3.446  -4.230  -1.261
   28    HD2  TYR   4           HD1      TYR   4  -2.341  -7.933  -3.043
   29    HE1  TYR   4           HE2      TYR   4  -3.306  -5.255   0.970
   30    HE2  TYR   4           HE1      TYR   4  -2.199  -8.968  -0.817
   31    HH   TYR   4           HH       TYR   4  -1.744  -7.825   1.719
   32    H    LYS   5           H        LYS   5  -1.188  -3.288  -1.740
   33    HA   LYS   5           HA       LYS   5  -3.215  -1.379  -1.360
   34    HB2  LYS   5           2HB      LYS   5  -0.444  -1.671  -0.215
   35    HB3  LYS   5           3HB      LYS   5  -1.507  -0.350   0.254
   36    HG2  LYS   5           2HG      LYS   5  -2.874  -1.692   1.462
   37    HG3  LYS   5           3HG      LYS   5  -2.622  -3.086   0.409
   38    HD2  LYS   5           2HD      LYS   5  -1.485  -3.770   2.279
   39    HD3  LYS   5           3HD      LYS   5  -0.183  -2.971   1.394
   40    HE2  LYS   5           2HE      LYS   5  -0.416  -0.990   2.721
   41    HE3  LYS   5           3HE      LYS   5  -1.872  -1.617   3.492
   42    HZ1  LYS   5           3HZ      LYS   5  -0.167  -1.963   5.028
   43    HZ2  LYS   5           1HZ      LYS   5   0.922  -2.513   3.856
   44    HZ3  LYS   5           2HZ      LYS   5  -0.387  -3.480   4.315
   45    H    LEU   6           H        LEU   6  -0.502  -1.375  -3.417
   46    HA   LEU   6           HA       LEU   6  -0.238   1.500  -3.561
   47    HB2  LEU   6           2HB      LEU   6   1.398   1.058  -5.306
   48    HB3  LEU   6           3HB      LEU   6   1.714   0.086  -3.870
   49    HG   LEU   6           HG       LEU   6   0.224  -1.628  -5.386
   50   HD11  LEU   6          1HD1      LEU   6   0.401   0.133  -7.228
   51   HD12  LEU   6          2HD1      LEU   6   0.840  -1.524  -7.639
   52   HD13  LEU   6          3HD1      LEU   6   2.100  -0.329  -7.335
   53   HD21  LEU   6          3HD2      LEU   6   3.219  -1.265  -5.354
   54   HD22  LEU   6          1HD2      LEU   6   2.374  -2.723  -5.876
   55   HD23  LEU   6          2HD2      LEU   6   2.258  -2.191  -4.199
   56    H    VAL   7           H        VAL   7  -2.276  -0.832  -4.905
   57    HA   VAL   7           HA       VAL   7  -2.990   0.968  -7.128
   58    HB   VAL   7           HB       VAL   7  -3.441  -2.013  -6.919
   59   HG11  VAL   7          1HG1      VAL   7  -4.176  -1.787  -9.292
   60   HG12  VAL   7          2HG1      VAL   7  -5.258  -1.022  -8.127
   61   HG13  VAL   7          3HG1      VAL   7  -4.149  -0.037  -9.082
   62   HG21  VAL   7          3HG2      VAL   7  -1.935  -1.707  -9.111
   63   HG22  VAL   7          1HG2      VAL   7  -1.341  -0.343  -8.163
   64   HG23  VAL   7          2HG2      VAL   7  -1.252  -1.978  -7.508
   65    H    VAL   8           H        VAL   8  -4.462  -1.483  -4.990
   66    HA   VAL   8           HA       VAL   8  -7.106  -0.526  -5.336
   67    HB   VAL   8           HB       VAL   8  -5.985  -2.187  -3.074
   68   HG11  VAL   8          1HG1      VAL   8  -8.721  -2.725  -3.696
   69   HG12  VAL   8          2HG1      VAL   8  -8.016  -2.169  -2.177
   70   HG13  VAL   8          3HG1      VAL   8  -8.522  -0.999  -3.396
   71   HG21  VAL   8          3HG2      VAL   8  -7.249  -3.983  -4.536
   72   HG22  VAL   8          1HG2      VAL   8  -6.891  -2.841  -5.831
   73   HG23  VAL   8          2HG2      VAL   8  -5.578  -3.534  -4.880
   74    H    VAL   9           H        VAL   9  -4.988  -0.356  -2.466
   75    HA   VAL   9           HA       VAL   9  -6.643   1.592  -1.184
   76    HB   VAL   9           HB       VAL   9  -3.793   0.892  -0.481
   77   HG11  VAL   9          1HG1      VAL   9  -4.897   1.390   1.856
   78   HG12  VAL   9          2HG1      VAL   9  -4.290   2.698   0.838
   79   HG13  VAL   9          3HG1      VAL   9  -6.016   2.335   0.874
   80   HG21  VAL   9          3HG2      VAL   9  -6.338  -0.453   0.425
   81   HG22  VAL   9          1HG2      VAL   9  -5.124  -1.149  -0.649
   82   HG23  VAL   9          2HG2      VAL   9  -4.716  -0.794   1.030
   83    H    GLY  10           H        GLY  10  -3.937   1.703  -3.348
   84    HA2  GLY  10           2HA      GLY  10  -2.987   4.295  -2.750
   85    HA3  GLY  10           3HA      GLY  10  -2.761   3.446  -4.271
   86    H    ALA  11           H        ALA  11  -5.812   3.227  -4.401
   87    HA   ALA  11           HA       ALA  11  -6.179   5.667  -5.900
   88    HB1  ALA  11           1HB      ALA  11  -8.160   4.693  -6.739
   89    HB2  ALA  11           2HB      ALA  11  -6.983   3.384  -6.627
   90    HB3  ALA  11           3HB      ALA  11  -8.247   3.540  -5.407
   91    H    GLY  12           H        GLY  12  -7.561   4.174  -2.995
   92    HA2  GLY  12           2HA      GLY  12  -7.948   6.376  -1.474
   93    HA3  GLY  12           3HA      GLY  12  -9.346   6.401  -2.539
   94    H    GLY  13           H        GLY  13  -9.242   3.365  -2.581
   95    HA2  GLY  13           2HA      GLY  13  -9.490   1.807  -0.583
   96    HA3  GLY  13           3HA      GLY  13 -10.631   3.010  -0.002
   97    H    VAL  14           H        VAL  14 -10.067   0.449  -2.289
   98    HA   VAL  14           HA       VAL  14 -12.722   0.715  -3.451
   99    HB   VAL  14           HB       VAL  14 -10.606  -1.376  -3.975
  100   HG11  VAL  14          1HG1      VAL  14 -11.900  -1.830  -6.015
  101   HG12  VAL  14          2HG1      VAL  14 -12.836  -2.148  -4.553
  102   HG13  VAL  14          3HG1      VAL  14 -13.123  -0.677  -5.483
  103   HG21  VAL  14          3HG2      VAL  14 -10.645   1.345  -4.688
  104   HG22  VAL  14          1HG2      VAL  14  -9.555   0.088  -5.273
  105   HG23  VAL  14          2HG2      VAL  14 -11.046   0.439  -6.147
  106    H    GLY  15           H        GLY  15 -10.941  -1.405  -1.274
  107    HA2  GLY  15           2HA      GLY  15 -12.200  -2.446   0.536
  108    HA3  GLY  15           3HA      GLY  15 -13.501  -2.719  -0.613
  109    H    LYS  16           H        LYS  16 -10.305  -3.247  -1.748
  110    HA   LYS  16           HA       LYS  16 -10.830  -6.126  -1.816
  111    HB2  LYS  16           2HB      LYS  16  -8.610  -4.669  -3.242
  112    HB3  LYS  16           3HB      LYS  16  -9.267  -6.260  -3.603
  113    HG2  LYS  16           2HG      LYS  16 -10.779  -3.674  -3.904
  114    HG3  LYS  16           3HG      LYS  16  -9.958  -4.526  -5.214
  115    HD2  LYS  16           2HD      LYS  16 -11.980  -5.477  -5.517
  116    HD3  LYS  16           3HD      LYS  16 -11.465  -6.524  -4.193
  117    HE2  LYS  16           2HE      LYS  16 -12.827  -5.494  -2.669
  118    HE3  LYS  16           3HE      LYS  16 -12.789  -3.949  -3.516
  119    HZ1  LYS  16           3HZ      LYS  16 -14.131  -5.158  -5.297
  120    HZ2  LYS  16           1HZ      LYS  16 -14.929  -4.744  -3.864
  121    HZ3  LYS  16           2HZ      LYS  16 -14.419  -6.336  -4.118
  122    H    SER  17           H        SER  17  -8.002  -4.006  -1.310
  123    HA   SER  17           HA       SER  17  -6.294  -5.880  -0.222
  124    HB2  SER  17           2HB      SER  17  -5.324  -3.804  -0.718
  125    HB3  SER  17           3HB      SER  17  -6.554  -2.910   0.175
  126    HG   SER  17           HG       SER  17  -4.662  -2.959   1.378
  127    H    HIS  18           H        HIS  18  -8.980  -4.227   1.261
  128    HA   HIS  18           HA       HIS  18  -8.440  -4.533   3.953
  129    HB2  HIS  18           2HB      HIS  18 -11.037  -4.641   2.427
  130    HB3  HIS  18           3HB      HIS  18 -10.982  -4.742   4.184
  131    HD1  HIS  18           HD1      HIS  18  -8.577  -2.462   2.504
  132    HD2  HIS  18           HD2      HIS  18 -12.298  -2.243   4.338
  133    HE1  HIS  18           HE1      HIS  18  -9.002  -0.011   2.871
  134    H    VAL  19           H        VAL  19  -9.387  -6.927   1.605
  135    HA   VAL  19           HA       VAL  19 -10.174  -8.950   3.438
  136    HB   VAL  19           HB       VAL  19  -9.132  -9.275   0.620
  137   HG11  VAL  19          1HG1      VAL  19 -10.269 -11.136   2.619
  138   HG12  VAL  19          2HG1      VAL  19 -10.827 -11.316   0.954
  139   HG13  VAL  19          3HG1      VAL  19  -9.106 -11.429   1.326
  140   HG21  VAL  19          3HG2      VAL  19 -11.468  -8.003   1.511
  141   HG22  VAL  19          1HG2      VAL  19 -11.068  -8.489  -0.136
  142   HG23  VAL  19          2HG2      VAL  19 -11.973  -9.582   0.911
  143    H    TRP  20           H        TRP  20  -7.156  -8.390   1.635
  144    HA   TRP  20           HA       TRP  20  -5.820 -10.449   3.210
  145    HB2  TRP  20           2HB      TRP  20  -4.708  -8.747   0.970
  146    HB3  TRP  20           3HB      TRP  20  -3.962 -10.180   1.672
  147    HD1  TRP  20           HD1      TRP  20  -6.667  -9.108  -0.782
  148    HE1  TRP  20           HE1      TRP  20  -7.481 -11.175  -2.082
  149    HE3  TRP  20           HE3      TRP  20  -4.262 -12.745   1.888
  150    HZ2  TRP  20           HZ2      TRP  20  -7.149 -13.976  -1.987
  151    HZ3  TRP  20           HZ3      TRP  20  -4.564 -15.093   1.218
  152    HH2  TRP  20           HH2      TRP  20  -5.978 -15.694  -0.679
  Start of MODEL    9
    1    H1   MET   1           H        MET   1   1.627   0.009   1.177
    2    HA   MET   1           HA       MET   1   1.332  -0.130  -1.751
    3    HB2  MET   1           2HB      MET   1   1.792   2.180  -0.900
    4    HB3  MET   1           3HB      MET   1   3.319   1.589  -0.258
    5    HG2  MET   1           2HG      MET   1   3.656   0.786  -2.745
    6    HG3  MET   1           3HG      MET   1   2.499   2.075  -3.068
    7    HE1  MET   1           3HE      MET   1   3.118   4.642  -3.056
    8    HE2  MET   1           1HE      MET   1   4.777   4.893  -3.599
    9    HE3  MET   1           2HE      MET   1   3.769   3.675  -4.381
   10    H    THR   2           H        THR   2   1.766  -2.461  -0.672
   11    HA   THR   2           HA       THR   2   4.673  -2.919  -0.872
   12    HB   THR   2           HB       THR   2   3.716  -3.415   1.383
   13    HG1  THR   2           HG1      THR   2   4.484  -5.882   0.275
   14   HG21  THR   2          3HG2      THR   2   1.508  -4.196   0.668
   15   HG22  THR   2          1HG2      THR   2   2.323  -5.412   1.651
   16   HG23  THR   2          2HG2      THR   2   2.249  -5.600  -0.101
   17    H    GLU   3           H        GLU   3   1.480  -3.906  -1.872
   18    HA   GLU   3           HA       GLU   3   2.621  -5.346  -4.112
   19    HB2  GLU   3           2HB      GLU   3   2.529  -7.181  -2.622
   20    HB3  GLU   3           3HB      GLU   3   0.966  -6.688  -1.986
   21    HG2  GLU   3           2HG      GLU   3  -0.131  -7.312  -4.017
   22    HG3  GLU   3           3HG      GLU   3   1.413  -7.621  -4.810
   23    H    TYR   4           H        TYR   4  -0.540  -5.136  -2.470
   24    HA   TYR   4           HA       TYR   4  -1.693  -4.221  -5.020
   25    HB2  TYR   4           2HB      TYR   4  -3.886  -4.980  -3.843
   26    HB3  TYR   4           3HB      TYR   4  -2.811  -6.199  -4.518
   27    HD1  TYR   4           HD2      TYR   4  -3.402  -4.385  -1.304
   28    HD2  TYR   4           HD1      TYR   4  -2.272  -8.020  -3.205
   29    HE1  TYR   4           HE2      TYR   4  -3.288  -5.490   0.890
   30    HE2  TYR   4           HE1      TYR   4  -2.156  -9.135  -1.016
   31    HH   TYR   4           HH       TYR   4  -2.887  -7.374   1.984
   32    H    LYS   5           H        LYS   5  -1.142  -3.425  -1.720
   33    HA   LYS   5           HA       LYS   5  -3.173  -1.532  -1.297
   34    HB2  LYS   5           2HB      LYS   5  -0.443  -1.948  -0.120
   35    HB3  LYS   5           3HB      LYS   5  -1.398  -0.542   0.329
   36    HG2  LYS   5           2HG      LYS   5  -2.895  -1.761   1.518
   37    HG3  LYS   5           3HG      LYS   5  -2.725  -3.183   0.486
   38    HD2  LYS   5           2HD      LYS   5  -1.776  -3.752   2.585
   39    HD3  LYS   5           3HD      LYS   5  -0.425  -3.484   1.481
   40    HE2  LYS   5           2HE      LYS   5   0.194  -2.371   3.444
   41    HE3  LYS   5           3HE      LYS   5  -0.398  -1.093   2.383
   42    HZ1  LYS   5           3HZ      LYS   5  -2.637  -1.725   3.645
   43    HZ2  LYS   5           1HZ      LYS   5  -1.560  -0.555   4.222
   44    HZ3  LYS   5           2HZ      LYS   5  -1.527  -2.122   4.859
   45    H    LEU   6           H        LEU   6  -0.433  -1.450  -3.319
   46    HA   LEU   6           HA       LEU   6  -0.179   1.428  -3.363
   47    HB2  LEU   6           2HB      LEU   6   1.488   1.057  -5.087
   48    HB3  LEU   6           3HB      LEU   6   1.780   0.020  -3.692
   49    HG   LEU   6           HG       LEU   6   0.325  -1.632  -5.295
   50   HD11  LEU   6          1HD1      LEU   6   2.195  -0.256  -7.189
   51   HD12  LEU   6          2HD1      LEU   6   0.507   0.232  -7.050
   52   HD13  LEU   6          3HD1      LEU   6   0.911  -1.414  -7.538
   53   HD21  LEU   6          3HD2      LEU   6   2.165  -2.640  -4.455
   54   HD22  LEU   6          1HD2      LEU   6   3.186  -1.222  -4.694
   55   HD23  LEU   6          2HD2      LEU   6   2.816  -2.281  -6.055
   56    H    VAL   7           H        VAL   7  -2.197  -0.859  -4.804
   57    HA   VAL   7           HA       VAL   7  -2.878   1.002  -6.986
   58    HB   VAL   7           HB       VAL   7  -3.343  -1.981  -6.857
   59   HG11  VAL   7          1HG1      VAL   7  -5.109  -1.283  -8.143
   60   HG12  VAL   7          2HG1      VAL   7  -4.254   0.141  -8.740
   61   HG13  VAL   7          3HG1      VAL   7  -3.862  -1.457  -9.378
   62   HG21  VAL   7          3HG2      VAL   7  -1.219  -0.291  -8.024
   63   HG22  VAL   7          1HG2      VAL   7  -1.155  -1.951  -7.433
   64   HG23  VAL   7          2HG2      VAL   7  -1.816  -1.610  -9.032
   65    H    VAL   8           H        VAL   8  -4.374  -1.476  -4.899
   66    HA   VAL   8           HA       VAL   8  -7.018  -0.553  -5.268
   67    HB   VAL   8           HB       VAL   8  -5.915  -2.135  -2.942
   68   HG11  VAL   8          1HG1      VAL   8  -8.444  -1.008  -3.320
   69   HG12  VAL   8          2HG1      VAL   8  -8.630  -2.721  -3.701
   70   HG13  VAL   8          3HG1      VAL   8  -7.984  -2.230  -2.135
   71   HG21  VAL   8          3HG2      VAL   8  -7.062  -4.011  -4.393
   72   HG22  VAL   8          1HG2      VAL   8  -6.709  -2.892  -5.709
   73   HG23  VAL   8          2HG2      VAL   8  -5.400  -3.510  -4.702
   74    H    VAL   9           H        VAL   9  -4.887  -0.257  -2.418
   75    HA   VAL   9           HA       VAL   9  -6.599   1.711  -1.209
   76    HB   VAL   9           HB       VAL   9  -3.789   0.983  -0.383
   77   HG11  VAL   9          1HG1      VAL   9  -4.920   1.561   1.899
   78   HG12  VAL   9          2HG1      VAL   9  -4.341   2.853   0.845
   79   HG13  VAL   9          3HG1      VAL   9  -6.058   2.450   0.886
   80   HG21  VAL   9          3HG2      VAL   9  -5.623  -0.319   1.282
   81   HG22  VAL   9          1HG2      VAL   9  -6.176  -0.623  -0.366
   82   HG23  VAL   9          2HG2      VAL   9  -4.532  -1.055   0.107
   83    H    GLY  10           H        GLY  10  -3.688   1.716  -3.144
   84    HA2  GLY  10           2HA      GLY  10  -2.778   4.317  -2.606
   85    HA3  GLY  10           3HA      GLY  10  -2.478   3.422  -4.088
   86    H    ALA  11           H        ALA  11  -5.531   3.246  -4.360
   87    HA   ALA  11           HA       ALA  11  -5.773   5.664  -5.934
   88    HB1  ALA  11           1HB      ALA  11  -6.525   3.551  -6.876
   89    HB2  ALA  11           2HB      ALA  11  -7.693   3.367  -5.566
   90    HB3  ALA  11           3HB      ALA  11  -7.871   4.682  -6.728
   91    H    GLY  12           H        GLY  12  -7.419   4.176  -3.159
   92    HA2  GLY  12           2HA      GLY  12  -7.912   6.489  -1.752
   93    HA3  GLY  12           3HA      GLY  12  -9.283   6.320  -2.838
   94    H    GLY  13           H        GLY  13  -9.124   3.360  -2.726
   95    HA2  GLY  13           2HA      GLY  13  -9.257   1.830  -0.712
   96    HA3  GLY  13           3HA      GLY  13 -10.339   3.047  -0.053
   97    H    VAL  14           H        VAL  14  -9.976   0.467  -2.360
   98    HA   VAL  14           HA       VAL  14 -12.709   0.746  -3.318
   99    HB   VAL  14           HB       VAL  14 -10.678  -1.394  -3.967
  100   HG11  VAL  14          1HG1      VAL  14 -12.990  -2.072  -4.378
  101   HG12  VAL  14          2HG1      VAL  14 -13.245  -0.622  -5.351
  102   HG13  VAL  14          3HG1      VAL  14 -12.107  -1.858  -5.889
  103   HG21  VAL  14          3HG2      VAL  14 -11.143   1.328  -5.051
  104   HG22  VAL  14          1HG2      VAL  14  -9.645   0.409  -4.895
  105   HG23  VAL  14          2HG2      VAL  14 -10.773   0.043  -6.201
  106    H    GLY  15           H        GLY  15 -10.795  -1.364  -1.247
  107    HA2  GLY  15           2HA      GLY  15 -11.932  -2.363   0.667
  108    HA3  GLY  15           3HA      GLY  15 -13.314  -2.642  -0.383
  109    H    LYS  16           H        LYS  16 -10.201  -3.217  -1.719
  110    HA   LYS  16           HA       LYS  16 -10.771  -6.084  -1.757
  111    HB2  LYS  16           2HB      LYS  16  -8.561  -4.666  -3.237
  112    HB3  LYS  16           3HB      LYS  16  -9.259  -6.242  -3.586
  113    HG2  LYS  16           2HG      LYS  16 -10.688  -3.605  -3.861
  114    HG3  LYS  16           3HG      LYS  16  -9.977  -4.533  -5.183
  115    HD2  LYS  16           2HD      LYS  16 -12.054  -5.389  -5.364
  116    HD3  LYS  16           3HD      LYS  16 -11.537  -6.419  -4.027
  117    HE2  LYS  16           2HE      LYS  16 -12.804  -5.305  -2.499
  118    HE3  LYS  16           3HE      LYS  16 -12.662  -3.763  -3.343
  119    HZ1  LYS  16           3HZ      LYS  16 -14.816  -4.252  -3.796
  120    HZ2  LYS  16           1HZ      LYS  16 -14.587  -5.927  -3.735
  121    HZ3  LYS  16           2HZ      LYS  16 -14.107  -5.057  -5.104
  122    H    SER  17           H        SER  17  -7.920  -3.993  -1.264
  123    HA   SER  17           HA       SER  17  -6.188  -5.898  -0.270
  124    HB2  SER  17           2HB      SER  17  -5.224  -3.810  -0.713
  125    HB3  SER  17           3HB      SER  17  -6.445  -2.942   0.217
  126    HG   SER  17           HG       SER  17  -5.425  -3.423   2.046
  127    H    HIS  18           H        HIS  18  -8.844  -4.293   1.318
  128    HA   HIS  18           HA       HIS  18  -8.239  -4.709   3.988
  129    HB2  HIS  18           2HB      HIS  18 -10.873  -4.697   2.523
  130    HB3  HIS  18           3HB      HIS  18 -10.779  -4.872   4.273
  131    HD1  HIS  18           HD1      HIS  18  -8.619  -2.529   2.247
  132    HD2  HIS  18           HD2      HIS  18 -11.777  -2.401   4.944
  133    HE1  HIS  18           HE1      HIS  18  -8.914  -0.099   2.822
  134    H    VAL  19           H        VAL  19  -9.247  -6.985   1.560
  135    HA   VAL  19           HA       VAL  19 -10.073  -9.066   3.308
  136    HB   VAL  19           HB       VAL  19  -9.025  -9.299   0.484
  137   HG11  VAL  19          1HG1      VAL  19 -10.658 -11.183   2.179
  138   HG12  VAL  19          2HG1      VAL  19 -10.350 -11.392   0.454
  139   HG13  VAL  19          3HG1      VAL  19  -9.011 -11.434   1.603
  140   HG21  VAL  19          3HG2      VAL  19 -10.895  -7.787   0.521
  141   HG22  VAL  19          1HG2      VAL  19 -11.433  -9.334  -0.135
  142   HG23  VAL  19          2HG2      VAL  19 -11.826  -8.896   1.528
  143    H    TRP  20           H        TRP  20  -7.040  -8.495   1.532
  144    HA   TRP  20           HA       TRP  20  -5.746 -10.566   3.155
  145    HB2  TRP  20           2HB      TRP  20  -4.592  -9.117   0.769
  146    HB3  TRP  20           3HB      TRP  20  -3.999 -10.599   1.514
  147    HD1  TRP  20           HD1      TRP  20  -6.622  -9.314  -0.922
  148    HE1  TRP  20           HE1      TRP  20  -7.727 -11.320  -2.097
  149    HE3  TRP  20           HE3      TRP  20  -4.617 -13.096   1.872
  150    HZ2  TRP  20           HZ2      TRP  20  -7.746 -14.133  -1.869
  151    HZ3  TRP  20           HZ3      TRP  20  -5.230 -15.416   1.329
  152    HH2  TRP  20           HH2      TRP  20  -6.763 -15.922  -0.503
  Start of MODEL   10
    1    H1   MET   1           H        MET   1   1.707   0.042   0.920
    2    HA   MET   1           HA       MET   1   1.345  -0.171  -1.997
    3    HB2  MET   1           2HB      MET   1   1.910   2.133  -1.171
    4    HB3  MET   1           3HB      MET   1   3.438   1.489  -0.587
    5    HG2  MET   1           2HG      MET   1   3.723   0.680  -3.041
    6    HG3  MET   1           3HG      MET   1   2.505   1.905  -3.386
    7    HE1  MET   1           3HE      MET   1   3.531   5.017  -2.848
    8    HE2  MET   1           1HE      MET   1   2.653   3.953  -1.749
    9    HE3  MET   1           2HE      MET   1   4.155   4.715  -1.225
   10    H    THR   2           H        THR   2   1.724  -2.499  -0.874
   11    HA   THR   2           HA       THR   2   4.605  -3.065  -1.150
   12    HB   THR   2           HB       THR   2   3.699  -3.481   1.142
   13    HG1  THR   2           HG1      THR   2   4.403  -5.941  -0.079
   14   HG21  THR   2          3HG2      THR   2   2.246  -5.420   1.492
   15   HG22  THR   2          1HG2      THR   2   2.114  -5.643  -0.252
   16   HG23  THR   2          2HG2      THR   2   1.444  -4.198   0.506
   17    H    GLU   3           H        GLU   3   1.353  -3.945  -2.046
   18    HA   GLU   3           HA       GLU   3   2.373  -5.472  -4.285
   19    HB2  GLU   3           2HB      GLU   3   2.264  -7.272  -2.752
   20    HB3  GLU   3           3HB      GLU   3   0.735  -6.716  -2.086
   21    HG2  GLU   3           2HG      GLU   3  -0.464  -7.409  -3.989
   22    HG3  GLU   3           3HG      GLU   3   1.010  -7.633  -4.930
   23    H    TYR   4           H        TYR   4  -0.729  -5.130  -2.556
   24    HA   TYR   4           HA       TYR   4  -1.926  -4.221  -5.087
   25    HB2  TYR   4           2HB      TYR   4  -4.107  -4.881  -3.832
   26    HB3  TYR   4           3HB      TYR   4  -3.094  -6.150  -4.512
   27    HD1  TYR   4           HD2      TYR   4  -3.525  -4.251  -1.321
   28    HD2  TYR   4           HD1      TYR   4  -2.581  -7.961  -3.176
   29    HE1  TYR   4           HE2      TYR   4  -3.384  -5.314   0.892
   30    HE2  TYR   4           HE1      TYR   4  -2.438  -9.036  -0.968
   31    HH   TYR   4           HH       TYR   4  -2.239  -7.328   1.898
   32    H    LYS   5           H        LYS   5  -1.245  -3.379  -1.824
   33    HA   LYS   5           HA       LYS   5  -3.199  -1.406  -1.385
   34    HB2  LYS   5           2HB      LYS   5  -0.428  -1.819  -0.280
   35    HB3  LYS   5           3HB      LYS   5  -1.433  -0.467   0.222
   36    HG2  LYS   5           2HG      LYS   5  -2.842  -1.775   1.422
   37    HG3  LYS   5           3HG      LYS   5  -2.644  -3.164   0.350
   38    HD2  LYS   5           2HD      LYS   5  -1.626  -3.720   2.432
   39    HD3  LYS   5           3HD      LYS   5  -0.327  -3.429   1.273
   40    HE2  LYS   5           2HE      LYS   5   0.356  -2.309   3.212
   41    HE3  LYS   5           3HE      LYS   5  -0.299  -1.039   2.179
   42    HZ1  LYS   5           3HZ      LYS   5  -1.209  -1.963   4.741
   43    HZ2  LYS   5           1HZ      LYS   5  -2.454  -1.857   3.600
   44    HZ3  LYS   5           2HZ      LYS   5  -1.512  -0.498   3.950
   45    H    LEU   6           H        LEU   6  -0.522  -1.468  -3.484
   46    HA   LEU   6           HA       LEU   6  -0.144   1.395  -3.581
   47    HB2  LEU   6           2HB      LEU   6   1.436   0.916  -5.373
   48    HB3  LEU   6           3HB      LEU   6   1.747  -0.077  -3.951
   49    HG   LEU   6           HG       LEU   6   0.158  -1.717  -5.459
   50   HD11  LEU   6          1HD1      LEU   6   0.418   0.055  -7.288
   51   HD12  LEU   6          2HD1      LEU   6   0.754  -1.623  -7.714
   52   HD13  LEU   6          3HD1      LEU   6   2.085  -0.507  -7.412
   53   HD21  LEU   6          3HD2      LEU   6   2.055  -2.569  -4.385
   54   HD22  LEU   6          1HD2      LEU   6   3.136  -1.443  -5.205
   55   HD23  LEU   6          2HD2      LEU   6   2.397  -2.768  -6.104
   56    H    VAL   7           H        VAL   7  -2.290  -0.835  -4.940
   57    HA   VAL   7           HA       VAL   7  -2.975   1.041  -7.109
   58    HB   VAL   7           HB       VAL   7  -3.532  -1.926  -6.966
   59   HG11  VAL   7          1HG1      VAL   7  -3.971  -1.177  -9.543
   60   HG12  VAL   7          2HG1      VAL   7  -5.232  -1.373  -8.325
   61   HG13  VAL   7          3HG1      VAL   7  -4.572   0.228  -8.663
   62   HG21  VAL   7          3HG2      VAL   7  -2.033  -1.586  -9.177
   63   HG22  VAL   7          1HG2      VAL   7  -1.362  -0.318  -8.150
   64   HG23  VAL   7          2HG2      VAL   7  -1.363  -1.993  -7.597
   65    H    VAL   8           H        VAL   8  -4.502  -1.418  -5.018
   66    HA   VAL   8           HA       VAL   8  -7.114  -0.360  -5.295
   67    HB   VAL   8           HB       VAL   8  -6.008  -2.134  -3.113
   68   HG11  VAL   8          1HG1      VAL   8  -8.772  -2.559  -3.631
   69   HG12  VAL   8          2HG1      VAL   8  -7.999  -2.017  -2.140
   70   HG13  VAL   8          3HG1      VAL   8  -8.517  -0.838  -3.345
   71   HG21  VAL   8          3HG2      VAL   8  -5.806  -2.987  -5.466
   72   HG22  VAL   8          1HG2      VAL   8  -6.781  -3.989  -4.391
   73   HG23  VAL   8          2HG2      VAL   8  -7.566  -2.933  -5.565
   74    H    VAL   9           H        VAL   9  -4.951  -0.347  -2.453
   75    HA   VAL   9           HA       VAL   9  -6.517   1.614  -1.086
   76    HB   VAL   9           HB       VAL   9  -3.676   0.812  -0.460
   77   HG11  VAL   9          1HG1      VAL   9  -4.063   2.556   0.952
   78   HG12  VAL   9          2HG1      VAL   9  -5.811   2.315   0.950
   79   HG13  VAL   9          3HG1      VAL   9  -4.776   1.260   1.913
   80   HG21  VAL   9          3HG2      VAL   9  -5.074  -1.185  -0.665
   81   HG22  VAL   9          1HG2      VAL   9  -4.616  -0.894   1.013
   82   HG23  VAL   9          2HG2      VAL   9  -6.240  -0.488   0.459
   83    H    GLY  10           H        GLY  10  -3.863   1.710  -3.310
   84    HA2  GLY  10           2HA      GLY  10  -2.773   4.221  -2.667
   85    HA3  GLY  10           3HA      GLY  10  -2.691   3.448  -4.243
   86    H    ALA  11           H        ALA  11  -5.771   3.403  -4.115
   87    HA   ALA  11           HA       ALA  11  -6.086   6.015  -5.367
   88    HB1  ALA  11           1HB      ALA  11  -7.192   3.429  -5.794
   89    HB2  ALA  11           2HB      ALA  11  -8.508   4.551  -5.444
   90    HB3  ALA  11           3HB      ALA  11  -7.388   4.889  -6.764
   91    H    GLY  12           H        GLY  12  -7.283   4.172  -2.617
   92    HA2  GLY  12           2HA      GLY  12  -7.757   6.129  -0.852
   93    HA3  GLY  12           3HA      GLY  12  -9.173   6.253  -1.885
   94    H    GLY  13           H        GLY  13  -8.967   3.241  -2.309
   95    HA2  GLY  13           2HA      GLY  13  -9.156   1.424  -0.557
   96    HA3  GLY  13           3HA      GLY  13 -10.281   2.517   0.236
   97    H    VAL  14           H        VAL  14  -9.807   0.273  -2.367
   98    HA   VAL  14           HA       VAL  14 -12.467   0.700  -3.451
   99    HB   VAL  14           HB       VAL  14 -10.495  -1.464  -4.186
  100   HG11  VAL  14          1HG1      VAL  14 -12.581  -2.069  -5.044
  101   HG12  VAL  14          2HG1      VAL  14 -13.009  -0.401  -5.431
  102   HG13  VAL  14          3HG1      VAL  14 -11.791  -1.246  -6.388
  103   HG21  VAL  14          3HG2      VAL  14  -9.822  -0.001  -6.040
  104   HG22  VAL  14          1HG2      VAL  14 -10.842   1.281  -5.388
  105   HG23  VAL  14          2HG2      VAL  14  -9.447   0.713  -4.472
  106    H    GLY  15           H        GLY  15 -10.799  -1.515  -1.328
  107    HA2  GLY  15           2HA      GLY  15 -12.206  -2.633   0.344
  108    HA3  GLY  15           3HA      GLY  15 -13.349  -2.960  -0.950
  109    H    LYS  16           H        LYS  16  -9.983  -3.272  -1.638
  110    HA   LYS  16           HA       LYS  16 -10.331  -6.178  -1.832
  111    HB2  LYS  16           2HB      LYS  16  -8.160  -4.436  -3.014
  112    HB3  LYS  16           3HB      LYS  16  -8.420  -6.145  -3.341
  113    HG2  LYS  16           2HG      LYS  16 -10.528  -4.097  -3.928
  114    HG3  LYS  16           3HG      LYS  16  -9.234  -4.458  -5.073
  115    HD2  LYS  16           2HD      LYS  16 -10.706  -5.998  -5.826
  116    HD3  LYS  16           3HD      LYS  16 -10.061  -6.956  -4.491
  117    HE2  LYS  16           2HE      LYS  16 -12.292  -7.156  -4.059
  118    HE3  LYS  16           3HE      LYS  16 -11.949  -5.689  -3.144
  119    HZ1  LYS  16           3HZ      LYS  16 -13.479  -4.672  -4.355
  120    HZ2  LYS  16           1HZ      LYS  16 -13.705  -6.041  -5.324
  121    HZ3  LYS  16           2HZ      LYS  16 -12.529  -4.897  -5.737
  122    H    SER  17           H        SER  17  -7.632  -3.967  -1.071
  123    HA   SER  17           HA       SER  17  -6.026  -5.778   0.254
  124    HB2  SER  17           2HB      SER  17  -5.126  -3.636  -0.291
  125    HB3  SER  17           3HB      SER  17  -6.361  -2.802   0.652
  126    HG   SER  17           HG       SER  17  -5.326  -3.278   2.467
  127    H    HIS  18           H        HIS  18  -8.865  -4.108   1.393
  128    HA   HIS  18           HA       HIS  18  -8.592  -4.322   4.139
  129    HB2  HIS  18           2HB      HIS  18 -11.038  -4.504   2.382
  130    HB3  HIS  18           3HB      HIS  18 -11.133  -4.495   4.140
  131    HD1  HIS  18           HD1      HIS  18  -8.513  -2.323   2.750
  132    HD2  HIS  18           HD2      HIS  18 -12.517  -1.992   3.807
  133    HE1  HIS  18           HE1      HIS  18  -8.974   0.146   2.871
  134    H    VAL  19           H        VAL  19  -9.263  -6.790   1.781
  135    HA   VAL  19           HA       VAL  19 -10.147  -8.749   3.693
  136    HB   VAL  19           HB       VAL  19  -9.260  -9.107   0.827
  137   HG11  VAL  19          1HG1      VAL  19 -10.699 -11.220   1.097
  138   HG12  VAL  19          2HG1      VAL  19  -9.076 -11.224   1.789
  139   HG13  VAL  19          3HG1      VAL  19 -10.479 -10.976   2.829
  140   HG21  VAL  19          3HG2      VAL  19 -11.532  -7.843   1.825
  141   HG22  VAL  19          1HG2      VAL  19 -11.275  -8.419   0.178
  142   HG23  VAL  19          2HG2      VAL  19 -12.078  -9.454   1.359
  143    H    TRP  20           H        TRP  20  -7.235  -8.409   1.662
  144    HA   TRP  20           HA       TRP  20  -5.858 -10.386   3.304
  145    HB2  TRP  20           2HB      TRP  20  -4.812  -8.902   0.886
  146    HB3  TRP  20           3HB      TRP  20  -4.130 -10.350   1.622
  147    HD1  TRP  20           HD1      TRP  20  -6.900  -9.203  -0.723
  148    HE1  TRP  20           HE1      TRP  20  -7.948 -11.267  -1.847
  149    HE3  TRP  20           HE3      TRP  20  -4.608 -12.868   2.008
  150    HZ2  TRP  20           HZ2      TRP  20  -7.822 -14.077  -1.609
  151    HZ3  TRP  20           HZ3      TRP  20  -5.127 -15.219   1.497
  152    HH2  TRP  20           HH2      TRP  20  -6.701 -15.808  -0.274
  Start of MODEL   11
    1    H1   MET   1           H        MET   1   1.654   0.036   1.100
    2    HA   MET   1           HA       MET   1   1.288  -0.081  -1.820
    3    HB2  MET   1           2HB      MET   1   1.808   2.220  -0.988
    4    HB3  MET   1           3HB      MET   1   3.333   1.603  -0.366
    5    HG2  MET   1           2HG      MET   1   3.628   0.790  -2.851
    6    HG3  MET   1           3HG      MET   1   2.479   2.088  -3.167
    7    HE1  MET   1           3HE      MET   1   6.102   3.410  -4.158
    8    HE2  MET   1           1HE      MET   1   5.255   1.886  -4.429
    9    HE3  MET   1           2HE      MET   1   4.432   3.418  -4.726
   10    H    THR   2           H        THR   2   1.701  -2.423  -0.776
   11    HA   THR   2           HA       THR   2   4.594  -2.933  -1.032
   12    HB   THR   2           HB       THR   2   3.671  -3.422   1.240
   13    HG1  THR   2           HG1      THR   2   5.367  -4.690   1.017
   14   HG21  THR   2          3HG2      THR   2   2.145  -5.577  -0.226
   15   HG22  THR   2          1HG2      THR   2   1.438  -4.168   0.561
   16   HG23  THR   2          2HG2      THR   2   2.254  -5.399   1.525
   17    H    GLU   3           H        GLU   3   1.360  -3.871  -1.956
   18    HA   GLU   3           HA       GLU   3   2.427  -5.315  -4.232
   19    HB2  GLU   3           2HB      GLU   3   2.338  -7.153  -2.743
   20    HB3  GLU   3           3HB      GLU   3   0.794  -6.640  -2.077
   21    HG2  GLU   3           2HG      GLU   3  -0.370  -7.288  -4.030
   22    HG3  GLU   3           3HG      GLU   3   1.129  -7.508  -4.932
   23    H    TYR   4           H        TYR   4  -0.695  -5.075  -2.522
   24    HA   TYR   4           HA       TYR   4  -1.890  -4.127  -5.040
   25    HB2  TYR   4           2HB      TYR   4  -4.068  -4.851  -3.816
   26    HB3  TYR   4           3HB      TYR   4  -3.028  -6.089  -4.513
   27    HD1  TYR   4           HD2      TYR   4  -3.511  -4.261  -1.288
   28    HD2  TYR   4           HD1      TYR   4  -2.499  -7.919  -3.210
   29    HE1  TYR   4           HE2      TYR   4  -3.369  -5.367   0.905
   30    HE2  TYR   4           HE1      TYR   4  -2.355  -9.035  -1.023
   31    HH   TYR   4           HH       TYR   4  -2.582  -7.237   1.976
   32    H    LYS   5           H        LYS   5  -1.241  -3.342  -1.758
   33    HA   LYS   5           HA       LYS   5  -3.231  -1.420  -1.276
   34    HB2  LYS   5           2HB      LYS   5  -0.452  -1.814  -0.192
   35    HB3  LYS   5           3HB      LYS   5  -1.452  -0.462   0.324
   36    HG2  LYS   5           2HG      LYS   5  -2.844  -1.772   1.536
   37    HG3  LYS   5           3HG      LYS   5  -2.677  -3.150   0.446
   38    HD2  LYS   5           2HD      LYS   5  -1.605  -3.814   2.428
   39    HD3  LYS   5           3HD      LYS   5  -0.295  -3.352   1.339
   40    HE2  LYS   5           2HE      LYS   5   0.285  -2.345   3.358
   41    HE3  LYS   5           3HE      LYS   5  -0.469  -1.039   2.445
   42    HZ1  LYS   5           3HZ      LYS   5  -1.141  -1.801   4.959
   43    HZ2  LYS   5           1HZ      LYS   5  -2.340  -2.539   4.020
   44    HZ3  LYS   5           2HZ      LYS   5  -2.103  -0.867   3.928
   45    H    LEU   6           H        LEU   6  -0.548  -1.376  -3.376
   46    HA   LEU   6           HA       LEU   6  -0.284   1.506  -3.437
   47    HB2  LEU   6           2HB      LEU   6   1.370   1.122  -5.169
   48    HB3  LEU   6           3HB      LEU   6   1.673   0.092  -3.772
   49    HG   LEU   6           HG       LEU   6   0.199  -1.561  -5.363
   50   HD11  LEU   6          1HD1      LEU   6   0.209   0.076  -7.190
   51   HD12  LEU   6          2HD1      LEU   6   1.075  -1.399  -7.618
   52   HD13  LEU   6          3HD1      LEU   6   1.973   0.056  -7.187
   53   HD21  LEU   6          3HD2      LEU   6   2.061  -2.504  -4.433
   54   HD22  LEU   6          1HD2      LEU   6   3.104  -1.151  -4.874
   55   HD23  LEU   6          2HD2      LEU   6   2.616  -2.323  -6.098
   56    H    VAL   7           H        VAL   7  -2.356  -0.762  -4.790
   57    HA   VAL   7           HA       VAL   7  -3.037   1.056  -7.009
   58    HB   VAL   7           HB       VAL   7  -3.692  -1.886  -6.854
   59   HG11  VAL   7          1HG1      VAL   7  -4.277   0.296  -8.748
   60   HG12  VAL   7          2HG1      VAL   7  -3.776  -1.237  -9.465
   61   HG13  VAL   7          3HG1      VAL   7  -5.179  -1.178  -8.398
   62   HG21  VAL   7          3HG2      VAL   7  -1.456  -0.509  -8.339
   63   HG22  VAL   7          1HG2      VAL   7  -1.283  -1.613  -6.974
   64   HG23  VAL   7          2HG2      VAL   7  -1.906  -2.205  -8.515
   65    H    VAL   8           H        VAL   8  -4.531  -1.362  -4.851
   66    HA   VAL   8           HA       VAL   8  -7.165  -0.375  -5.195
   67    HB   VAL   8           HB       VAL   8  -6.038  -2.059  -2.953
   68   HG11  VAL   8          1HG1      VAL   8  -8.025  -1.896  -1.978
   69   HG12  VAL   8          2HG1      VAL   8  -8.591  -0.831  -3.267
   70   HG13  VAL   8          3HG1      VAL   8  -8.777  -2.579  -3.419
   71   HG21  VAL   8          3HG2      VAL   8  -7.653  -3.044  -5.282
   72   HG22  VAL   8          1HG2      VAL   8  -5.898  -2.897  -5.376
   73   HG23  VAL   8          2HG2      VAL   8  -6.631  -3.961  -4.175
   74    H    VAL   9           H        VAL   9  -5.041  -0.229  -2.328
   75    HA   VAL   9           HA       VAL   9  -6.661   1.745  -1.046
   76    HB   VAL   9           HB       VAL   9  -3.816   0.999  -0.365
   77   HG11  VAL   9          1HG1      VAL   9  -4.361   2.913   0.852
   78   HG12  VAL   9          2HG1      VAL   9  -6.031   2.396   1.098
   79   HG13  VAL   9          3HG1      VAL   9  -4.721   1.593   1.964
   80   HG21  VAL   9          3HG2      VAL   9  -6.190  -0.602  -0.273
   81   HG22  VAL   9          1HG2      VAL   9  -4.541  -1.028   0.182
   82   HG23  VAL   9          2HG2      VAL   9  -5.620  -0.291   1.367
   83    H    GLY  10           H        GLY  10  -3.794   1.801  -3.062
   84    HA2  GLY  10           2HA      GLY  10  -2.838   4.359  -2.539
   85    HA3  GLY  10           3HA      GLY  10  -2.695   3.537  -4.085
   86    H    ALA  11           H        ALA  11  -5.710   3.398  -4.217
   87    HA   ALA  11           HA       ALA  11  -6.052   5.963  -5.521
   88    HB1  ALA  11           1HB      ALA  11  -7.676   3.443  -5.419
   89    HB2  ALA  11           2HB      ALA  11  -8.322   4.931  -6.112
   90    HB3  ALA  11           3HB      ALA  11  -6.877   4.192  -6.801
   91    H    GLY  12           H        GLY  12  -7.421   4.195  -2.781
   92    HA2  GLY  12           2HA      GLY  12  -7.933   6.272  -1.118
   93    HA3  GLY  12           3HA      GLY  12  -9.329   6.280  -2.186
   94    H    GLY  13           H        GLY  13  -9.089   3.280  -2.439
   95    HA2  GLY  13           2HA      GLY  13  -9.241   1.544  -0.604
   96    HA3  GLY  13           3HA      GLY  13 -10.374   2.658   0.146
   97    H    VAL  14           H        VAL  14  -9.897   0.277  -2.322
   98    HA   VAL  14           HA       VAL  14 -12.580   0.623  -3.396
   99    HB   VAL  14           HB       VAL  14 -10.528  -1.479  -4.097
  100   HG11  VAL  14          1HG1      VAL  14 -12.501  -2.319  -4.923
  101   HG12  VAL  14          2HG1      VAL  14 -13.198  -0.719  -5.187
  102   HG13  VAL  14          3HG1      VAL  14 -11.963  -1.336  -6.284
  103   HG21  VAL  14          3HG2      VAL  14  -9.918  -0.100  -5.978
  104   HG22  VAL  14          1HG2      VAL  14 -11.122   1.108  -5.528
  105   HG23  VAL  14          2HG2      VAL  14  -9.721   0.831  -4.493
  106    H    GLY  15           H        GLY  15 -10.800  -1.513  -1.272
  107    HA2  GLY  15           2HA      GLY  15 -12.115  -2.621   0.475
  108    HA3  GLY  15           3HA      GLY  15 -13.317  -2.973  -0.759
  109    H    LYS  16           H        LYS  16 -10.019  -3.281  -1.670
  110    HA   LYS  16           HA       LYS  16 -10.356  -6.181  -1.828
  111    HB2  LYS  16           2HB      LYS  16  -8.182  -4.444  -3.012
  112    HB3  LYS  16           3HB      LYS  16  -8.469  -6.144  -3.362
  113    HG2  LYS  16           2HG      LYS  16 -10.571  -4.076  -3.886
  114    HG3  LYS  16           3HG      LYS  16  -9.283  -4.397  -5.048
  115    HD2  LYS  16           2HD      LYS  16 -10.703  -5.949  -5.844
  116    HD3  LYS  16           3HD      LYS  16 -10.124  -6.918  -4.487
  117    HE2  LYS  16           2HE      LYS  16 -12.387  -7.083  -4.175
  118    HE3  LYS  16           3HE      LYS  16 -12.037  -5.659  -3.197
  119    HZ1  LYS  16           3HZ      LYS  16 -12.511  -4.470  -5.480
  120    HZ2  LYS  16           1HZ      LYS  16 -13.764  -4.876  -4.419
  121    HZ3  LYS  16           2HZ      LYS  16 -13.436  -5.859  -5.756
  122    H    SER  17           H        SER  17  -7.659  -3.975  -1.044
  123    HA   SER  17           HA       SER  17  -6.026  -5.803   0.223
  124    HB2  SER  17           2HB      SER  17  -5.109  -3.671  -0.241
  125    HB3  SER  17           3HB      SER  17  -6.389  -2.838   0.641
  126    HG   SER  17           HG       SER  17  -4.833  -4.648   2.072
  127    H    HIS  18           H        HIS  18  -8.873  -4.190   1.427
  128    HA   HIS  18           HA       HIS  18  -8.573  -4.488   4.164
  129    HB2  HIS  18           2HB      HIS  18 -11.033  -4.611   2.421
  130    HB3  HIS  18           3HB      HIS  18 -11.116  -4.664   4.180
  131    HD1  HIS  18           HD1      HIS  18  -9.755  -2.377   1.464
  132    HD2  HIS  18           HD2      HIS  18 -11.250  -2.218   5.337
  133    HE1  HIS  18           HE1      HIS  18  -9.899   0.069   2.028
  134    H    VAL  19           H        VAL  19  -9.237  -6.880   1.734
  135    HA   VAL  19           HA       VAL  19 -10.125  -8.901   3.578
  136    HB   VAL  19           HB       VAL  19  -9.204  -9.187   0.714
  137   HG11  VAL  19          1HG1      VAL  19  -9.816 -11.130   2.709
  138   HG12  VAL  19          2HG1      VAL  19 -11.062 -11.181   1.460
  139   HG13  VAL  19          3HG1      VAL  19  -9.365 -11.379   1.022
  140   HG21  VAL  19          3HG2      VAL  19 -11.512  -9.110   0.089
  141   HG22  VAL  19          1HG2      VAL  19 -12.021  -9.059   1.776
  142   HG23  VAL  19          2HG2      VAL  19 -11.171  -7.685   1.070
  143    H    TRP  20           H        TRP  20  -7.189  -8.447   1.608
  144    HA   TRP  20           HA       TRP  20  -5.817 -10.460   3.223
  145    HB2  TRP  20           2HB      TRP  20  -4.733  -8.993   0.816
  146    HB3  TRP  20           3HB      TRP  20  -4.130 -10.488   1.528
  147    HD1  TRP  20           HD1      TRP  20  -6.820  -9.156  -0.811
  148    HE1  TRP  20           HE1      TRP  20  -7.965 -11.140  -1.984
  149    HE3  TRP  20           HE3      TRP  20  -4.740 -12.986   1.860
  150    HZ2  TRP  20           HZ2      TRP  20  -7.984 -13.957  -1.800
  151    HZ3  TRP  20           HZ3      TRP  20  -5.374 -15.296   1.300
  152    HH2  TRP  20           HH2      TRP  20  -6.963 -15.769  -0.493
  Start of MODEL   12
    1    H1   MET   1           H        MET   1   1.655   0.196   1.001
    2    HA   MET   1           HA       MET   1   1.169  -0.065  -1.894
    3    HB2  MET   1           2HB      MET   1   1.726   2.246  -1.090
    4    HB3  MET   1           3HB      MET   1   3.291   1.632  -0.573
    5    HG2  MET   1           2HG      MET   1   3.418   0.814  -3.070
    6    HG3  MET   1           3HG      MET   1   2.247   2.109  -3.310
    7    HE1  MET   1           3HE      MET   1   5.223   1.129  -3.964
    8    HE2  MET   1           1HE      MET   1   5.946   2.659  -4.461
    9    HE3  MET   1           2HE      MET   1   6.482   1.872  -2.977
   10    H    THR   2           H        THR   2   1.657  -2.383  -0.742
   11    HA   THR   2           HA       THR   2   4.527  -2.894  -1.186
   12    HB   THR   2           HB       THR   2   3.761  -3.317   1.152
   13    HG1  THR   2           HG1      THR   2   4.406  -5.800  -0.034
   14   HG21  THR   2          3HG2      THR   2   1.477  -4.078   0.590
   15   HG22  THR   2          1HG2      THR   2   2.334  -5.224   1.620
   16   HG23  THR   2          2HG2      THR   2   2.159  -5.548  -0.105
   17    H    GLU   3           H        GLU   3   1.254  -3.818  -1.928
   18    HA   GLU   3           HA       GLU   3   2.185  -5.346  -4.202
   19    HB2  GLU   3           2HB      GLU   3   2.187  -7.142  -2.659
   20    HB3  GLU   3           3HB      GLU   3   0.685  -6.609  -1.917
   21    HG2  GLU   3           2HG      GLU   3   0.307  -8.574  -3.264
   22    HG3  GLU   3           3HG      GLU   3  -0.528  -7.186  -3.959
   23    H    TYR   4           H        TYR   4  -0.841  -5.093  -2.329
   24    HA   TYR   4           HA       TYR   4  -2.184  -4.221  -4.798
   25    HB2  TYR   4           2HB      TYR   4  -4.282  -4.884  -3.412
   26    HB3  TYR   4           3HB      TYR   4  -3.288  -6.154  -4.117
   27    HD1  TYR   4           HD2      TYR   4  -3.570  -4.187  -0.950
   28    HD2  TYR   4           HD1      TYR   4  -2.680  -7.928  -2.770
   29    HE1  TYR   4           HE2      TYR   4  -3.294  -5.197   1.275
   30    HE2  TYR   4           HE1      TYR   4  -2.403  -8.949  -0.550
   31    HH   TYR   4           HH       TYR   4  -1.759  -7.952   1.867
   32    H    LYS   5           H        LYS   5  -1.329  -3.301  -1.598
   33    HA   LYS   5           HA       LYS   5  -3.290  -1.321  -1.135
   34    HB2  LYS   5           2HB      LYS   5  -0.524  -1.792  -0.050
   35    HB3  LYS   5           3HB      LYS   5  -1.459  -0.378   0.422
   36    HG2  LYS   5           2HG      LYS   5  -2.901  -1.580   1.686
   37    HG3  LYS   5           3HG      LYS   5  -2.806  -3.001   0.643
   38    HD2  LYS   5           2HD      LYS   5  -0.979  -3.839   1.722
   39    HD3  LYS   5           3HD      LYS   5  -0.368  -2.242   2.158
   40    HE2  LYS   5           2HE      LYS   5  -2.863  -3.376   3.386
   41    HE3  LYS   5           3HE      LYS   5  -1.264  -3.735   4.036
   42    HZ1  LYS   5           3HZ      LYS   5  -1.065  -1.131   3.926
   43    HZ2  LYS   5           1HZ      LYS   5  -1.786  -1.902   5.249
   44    HZ3  LYS   5           2HZ      LYS   5  -2.751  -1.216   4.041
   45    H    LEU   6           H        LEU   6  -0.703  -1.446  -3.314
   46    HA   LEU   6           HA       LEU   6  -0.253   1.410  -3.428
   47    HB2  LEU   6           2HB      LEU   6   1.244   0.873  -5.292
   48    HB3  LEU   6           3HB      LEU   6   1.604  -0.071  -3.848
   49    HG   LEU   6           HG       LEU   6  -0.087  -1.716  -5.283
   50   HD11  LEU   6          1HD1      LEU   6   0.599  -1.751  -7.532
   51   HD12  LEU   6          2HD1      LEU   6   1.907  -0.606  -7.236
   52   HD13  LEU   6          3HD1      LEU   6   0.231  -0.062  -7.180
   53   HD21  LEU   6          3HD2      LEU   6   1.914  -3.048  -5.663
   54   HD22  LEU   6          1HD2      LEU   6   1.919  -2.364  -4.038
   55   HD23  LEU   6          2HD2      LEU   6   2.929  -1.653  -5.296
   56    H    VAL   7           H        VAL   7  -2.370  -0.876  -4.846
   57    HA   VAL   7           HA       VAL   7  -3.122   1.040  -6.953
   58    HB   VAL   7           HB       VAL   7  -3.701  -1.921  -6.791
   59   HG11  VAL   7          1HG1      VAL   7  -4.547  -1.640  -9.096
   60   HG12  VAL   7          2HG1      VAL   7  -5.507  -0.763  -7.903
   61   HG13  VAL   7          3HG1      VAL   7  -4.361   0.105  -8.925
   62   HG21  VAL   7          3HG2      VAL   7  -1.531  -1.964  -7.454
   63   HG22  VAL   7          1HG2      VAL   7  -2.261  -1.640  -9.026
   64   HG23  VAL   7          2HG2      VAL   7  -1.575  -0.317  -8.083
   65    H    VAL   8           H        VAL   8  -4.629  -1.391  -4.816
   66    HA   VAL   8           HA       VAL   8  -7.247  -0.406  -5.056
   67    HB   VAL   8           HB       VAL   8  -6.043  -1.923  -2.737
   68   HG11  VAL   8          1HG1      VAL   8  -8.590  -0.751  -3.042
   69   HG12  VAL   8          2HG1      VAL   8  -8.800  -2.494  -3.219
   70   HG13  VAL   8          3HG1      VAL   8  -8.038  -1.839  -1.769
   71   HG21  VAL   8          3HG2      VAL   8  -6.734  -3.926  -3.825
   72   HG22  VAL   8          1HG2      VAL   8  -7.573  -3.024  -5.086
   73   HG23  VAL   8          2HG2      VAL   8  -5.812  -2.989  -5.000
   74    H    VAL   9           H        VAL   9  -4.887   0.050  -2.422
   75    HA   VAL   9           HA       VAL   9  -6.531   2.145  -1.260
   76    HB   VAL   9           HB       VAL   9  -3.810   1.216  -0.343
   77   HG11  VAL   9          1HG1      VAL   9  -6.017   2.803   0.947
   78   HG12  VAL   9          2HG1      VAL   9  -4.700   2.066   1.863
   79   HG13  VAL   9          3HG1      VAL   9  -4.351   3.297   0.648
   80   HG21  VAL   9          3HG2      VAL   9  -4.965  -0.253   1.216
   81   HG22  VAL   9          1HG2      VAL   9  -6.521   0.230   0.541
   82   HG23  VAL   9          2HG2      VAL   9  -5.374  -0.674  -0.447
   83    H    GLY  10           H        GLY  10  -3.702   1.815  -3.244
   84    HA2  GLY  10           2HA      GLY  10  -2.583   4.382  -2.781
   85    HA3  GLY  10           3HA      GLY  10  -2.268   3.354  -4.171
   86    H    ALA  11           H        ALA  11  -5.312   3.345  -4.591
   87    HA   ALA  11           HA       ALA  11  -5.320   5.705  -6.294
   88    HB1  ALA  11           1HB      ALA  11  -6.995   3.233  -6.127
   89    HB2  ALA  11           2HB      ALA  11  -7.580   4.648  -7.004
   90    HB3  ALA  11           3HB      ALA  11  -6.072   3.871  -7.487
   91    H    GLY  12           H        GLY  12  -7.088   4.368  -3.545
   92    HA2  GLY  12           2HA      GLY  12  -7.776   6.807  -2.424
   93    HA3  GLY  12           3HA      GLY  12  -9.107   6.368  -3.483
   94    H    GLY  13           H        GLY  13  -8.955   3.542  -3.080
   95    HA2  GLY  13           2HA      GLY  13  -8.921   2.158  -0.958
   96    HA3  GLY  13           3HA      GLY  13  -9.943   3.427  -0.300
   97    H    VAL  14           H        VAL  14  -9.772   0.721  -2.498
   98    HA   VAL  14           HA       VAL  14 -12.566   0.945  -3.245
   99    HB   VAL  14           HB       VAL  14 -10.660  -1.319  -3.840
  100   HG11  VAL  14          1HG1      VAL  14 -12.771  -2.131  -4.311
  101   HG12  VAL  14          2HG1      VAL  14 -13.383  -0.551  -4.803
  102   HG13  VAL  14          3HG1      VAL  14 -12.291  -1.444  -5.862
  103   HG21  VAL  14          3HG2      VAL  14  -9.545   0.321  -4.944
  104   HG22  VAL  14          1HG2      VAL  14 -10.783   0.002  -6.159
  105   HG23  VAL  14          2HG2      VAL  14 -10.963   1.364  -5.054
  106    H    GLY  15           H        GLY  15 -10.531  -1.057  -1.173
  107    HA2  GLY  15           2HA      GLY  15 -11.489  -1.899   0.893
  108    HA3  GLY  15           3HA      GLY  15 -12.996  -2.151   0.025
  109    H    LYS  16           H        LYS  16  -9.995  -2.991  -1.487
  110    HA   LYS  16           HA       LYS  16 -10.798  -5.791  -1.478
  111    HB2  LYS  16           2HB      LYS  16  -8.479  -4.485  -2.912
  112    HB3  LYS  16           3HB      LYS  16  -9.120  -6.097  -3.201
  113    HG2  LYS  16           2HG      LYS  16 -10.521  -3.487  -3.732
  114    HG3  LYS  16           3HG      LYS  16  -9.861  -4.599  -4.933
  115    HD2  LYS  16           2HD      LYS  16 -12.103  -5.213  -3.007
  116    HD3  LYS  16           3HD      LYS  16 -12.292  -4.832  -4.720
  117    HE2  LYS  16           2HE      LYS  16 -10.728  -6.816  -5.138
  118    HE3  LYS  16           3HE      LYS  16 -11.044  -7.256  -3.461
  119    HZ1  LYS  16           3HZ      LYS  16 -13.493  -7.068  -4.145
  120    HZ2  LYS  16           1HZ      LYS  16 -12.628  -8.434  -4.641
  121    HZ3  LYS  16           2HZ      LYS  16 -12.922  -7.177  -5.733
  122    H    SER  17           H        SER  17  -7.909  -3.864  -0.694
  123    HA   SER  17           HA       SER  17  -6.270  -5.877   0.244
  124    HB2  SER  17           2HB      SER  17  -5.258  -3.773   0.060
  125    HB3  SER  17           3HB      SER  17  -6.534  -2.973   0.976
  126    HG   SER  17           HG       SER  17  -5.484  -3.388   2.743
  127    H    HIS  18           H        HIS  18  -9.018  -4.377   1.779
  128    HA   HIS  18           HA       HIS  18  -8.605  -5.051   4.436
  129    HB2  HIS  18           2HB      HIS  18 -11.216  -5.019   2.908
  130    HB3  HIS  18           3HB      HIS  18 -11.066  -5.002   4.662
  131    HD1  HIS  18           HD1      HIS  18  -8.489  -2.907   4.178
  132    HD2  HIS  18           HD2      HIS  18 -12.510  -2.469   3.229
  133    HE1  HIS  18           HE1      HIS  18  -8.877  -0.427   4.021
  134    H    VAL  19           H        VAL  19  -9.488  -7.060   1.739
  135    HA   VAL  19           HA       VAL  19 -10.473  -9.273   3.225
  136    HB   VAL  19           HB       VAL  19  -9.276  -9.222   0.451
  137   HG11  VAL  19          1HG1      VAL  19 -10.394 -11.365   2.116
  138   HG12  VAL  19          2HG1      VAL  19 -11.052 -11.276   0.481
  139   HG13  VAL  19          3HG1      VAL  19  -9.314 -11.452   0.725
  140   HG21  VAL  19          3HG2      VAL  19 -12.101  -9.562   0.475
  141   HG22  VAL  19          1HG2      VAL  19 -11.699  -8.146   1.446
  142   HG23  VAL  19          2HG2      VAL  19 -11.154  -8.251  -0.228
  143    H    TRP  20           H        TRP  20  -7.340  -8.699   1.621
  144    HA   TRP  20           HA       TRP  20  -6.157 -11.038   2.780
  145    HB2  TRP  20           2HB      TRP  20  -4.912  -8.697   1.322
  146    HB3  TRP  20           3HB      TRP  20  -4.054 -10.165   1.780
  147    HD1  TRP  20           HD1      TRP  20  -6.699  -8.891  -0.680
  148    HE1  TRP  20           HE1      TRP  20  -6.954 -10.614  -2.574
  149    HE3  TRP  20           HE3      TRP  20  -3.776 -12.628   1.224
  150    HZ2  TRP  20           HZ2      TRP  20  -6.038 -13.215  -3.181
  151    HZ3  TRP  20           HZ3      TRP  20  -3.518 -14.701  -0.075
  152    HH2  TRP  20           HH2      TRP  20  -4.627 -14.987  -2.232
  Start of MODEL   13
    1    H1   MET   1           H        MET   1   0.745   0.247  -0.729
    2    HA   MET   1           HA       MET   1   2.902   0.426  -2.533
    3    HB2  MET   1           2HB      MET   1   2.250   1.833  -0.383
    4    HB3  MET   1           3HB      MET   1   3.368   0.722   0.399
    5    HG2  MET   1           2HG      MET   1   4.863   2.305  -0.154
    6    HG3  MET   1           3HG      MET   1   4.869   1.440  -1.689
    7    HE1  MET   1           3HE      MET   1   5.081   4.281  -3.678
    8    HE2  MET   1           1HE      MET   1   5.679   4.888  -2.134
    9    HE3  MET   1           2HE      MET   1   5.982   3.214  -2.600
   10    H    THR   2           H        THR   2   1.841  -2.235  -0.984
   11    HA   THR   2           HA       THR   2   4.544  -3.374  -0.698
   12    HB   THR   2           HB       THR   2   3.222  -3.376   1.398
   13    HG1  THR   2           HG1      THR   2   4.241  -5.180   1.803
   14   HG21  THR   2          3HG2      THR   2   1.378  -5.211  -0.138
   15   HG22  THR   2          1HG2      THR   2   0.987  -3.592   0.440
   16   HG23  THR   2          2HG2      THR   2   1.295  -4.890   1.593
   17    H    GLU   3           H        GLU   3   1.429  -3.679  -2.209
   18    HA   GLU   3           HA       GLU   3   2.414  -5.381  -4.239
   19    HB2  GLU   3           2HB      GLU   3   2.319  -7.182  -2.708
   20    HB3  GLU   3           3HB      GLU   3   0.780  -6.646  -2.050
   21    HG2  GLU   3           2HG      GLU   3  -0.333  -7.233  -4.131
   22    HG3  GLU   3           3HG      GLU   3   1.208  -7.737  -4.823
   23    H    TYR   4           H        TYR   4  -0.714  -5.095  -2.547
   24    HA   TYR   4           HA       TYR   4  -1.896  -4.203  -5.091
   25    HB2  TYR   4           2HB      TYR   4  -4.080  -4.912  -3.869
   26    HB3  TYR   4           3HB      TYR   4  -3.032  -6.158  -4.538
   27    HD1  TYR   4           HD2      TYR   4  -3.548  -4.278  -1.348
   28    HD2  TYR   4           HD1      TYR   4  -2.500  -7.963  -3.200
   29    HE1  TYR   4           HE2      TYR   4  -3.416  -5.346   0.864
   30    HE2  TYR   4           HE1      TYR   4  -2.366  -9.041  -0.993
   31    HH   TYR   4           HH       TYR   4  -1.925  -8.206   1.440
   32    H    LYS   5           H        LYS   5  -1.275  -3.360  -1.817
   33    HA   LYS   5           HA       LYS   5  -3.270  -1.448  -1.360
   34    HB2  LYS   5           2HB      LYS   5  -0.499  -1.858  -0.291
   35    HB3  LYS   5           3HB      LYS   5  -1.404  -0.416   0.149
   36    HG2  LYS   5           2HG      LYS   5  -2.797  -1.543   1.507
   37    HG3  LYS   5           3HG      LYS   5  -2.854  -2.957   0.453
   38    HD2  LYS   5           2HD      LYS   5  -1.030  -3.928   1.430
   39    HD3  LYS   5           3HD      LYS   5  -0.302  -2.379   1.862
   40    HE2  LYS   5           2HE      LYS   5  -2.840  -3.233   3.182
   41    HE3  LYS   5           3HE      LYS   5  -1.312  -3.939   3.707
   42    HZ1  LYS   5           3HZ      LYS   5  -1.356  -2.141   5.057
   43    HZ2  LYS   5           1HZ      LYS   5  -2.299  -1.211   4.004
   44    HZ3  LYS   5           2HZ      LYS   5  -0.642  -1.392   3.718
   45    H    LEU   6           H        LEU   6  -0.562  -1.397  -3.452
   46    HA   LEU   6           HA       LEU   6  -0.309   1.466  -3.584
   47    HB2  LEU   6           2HB      LEU   6   1.221   1.031  -5.437
   48    HB3  LEU   6           3HB      LEU   6   1.613   0.062  -4.019
   49    HG   LEU   6           HG       LEU   6   0.028  -1.643  -5.459
   50   HD11  LEU   6          1HD1      LEU   6   1.840  -0.368  -7.482
   51   HD12  LEU   6          2HD1      LEU   6   0.150   0.107  -7.312
   52   HD13  LEU   6          3HD1      LEU   6   0.560  -1.555  -7.735
   53   HD21  LEU   6          3HD2      LEU   6   2.215  -2.694  -6.114
   54   HD22  LEU   6          1HD2      LEU   6   2.036  -2.337  -4.396
   55   HD23  LEU   6          2HD2      LEU   6   3.018  -1.286  -5.416
   56    H    VAL   7           H        VAL   7  -2.380  -0.859  -4.948
   57    HA   VAL   7           HA       VAL   7  -3.188   1.007  -7.081
   58    HB   VAL   7           HB       VAL   7  -3.692  -1.966  -6.882
   59   HG11  VAL   7          1HG1      VAL   7  -5.444  -1.479  -8.194
   60   HG12  VAL   7          2HG1      VAL   7  -4.848   0.143  -8.553
   61   HG13  VAL   7          3HG1      VAL   7  -4.233  -1.243  -9.454
   62   HG21  VAL   7          3HG2      VAL   7  -1.607  -0.330  -8.188
   63   HG22  VAL   7          1HG2      VAL   7  -1.539  -1.984  -7.578
   64   HG23  VAL   7          2HG2      VAL   7  -2.281  -1.650  -9.143
   65    H    VAL   8           H        VAL   8  -4.604  -1.427  -4.887
   66    HA   VAL   8           HA       VAL   8  -7.254  -0.537  -5.118
   67    HB   VAL   8           HB       VAL   8  -6.026  -1.892  -2.715
   68   HG11  VAL   8          1HG1      VAL   8  -8.855  -2.069  -3.724
   69   HG12  VAL   8          2HG1      VAL   8  -8.213  -2.617  -2.175
   70   HG13  VAL   8          3HG1      VAL   8  -8.339  -0.891  -2.518
   71   HG21  VAL   8          3HG2      VAL   8  -7.045  -3.019  -5.312
   72   HG22  VAL   8          1HG2      VAL   8  -5.458  -3.238  -4.575
   73   HG23  VAL   8          2HG2      VAL   8  -6.879  -3.987  -3.847
   74    H    VAL   9           H        VAL   9  -4.866   0.101  -2.549
   75    HA   VAL   9           HA       VAL   9  -6.575   2.173  -1.431
   76    HB   VAL   9           HB       VAL   9  -3.820   1.358  -0.508
   77   HG11  VAL   9          1HG1      VAL   9  -4.181   3.280   0.642
   78   HG12  VAL   9          2HG1      VAL   9  -5.936   3.162   0.507
   79   HG13  VAL   9          3HG1      VAL   9  -5.075   2.186   1.697
   80   HG21  VAL   9          3HG2      VAL   9  -5.329  -0.580  -0.534
   81   HG22  VAL   9          1HG2      VAL   9  -4.916  -0.091   1.110
   82   HG23  VAL   9          2HG2      VAL   9  -6.493   0.322   0.436
   83    H    GLY  10           H        GLY  10  -3.743   1.863  -3.418
   84    HA2  GLY  10           2HA      GLY  10  -2.688   4.466  -3.053
   85    HA3  GLY  10           3HA      GLY  10  -2.380   3.414  -4.427
   86    H    ALA  11           H        ALA  11  -5.433   3.330  -4.774
   87    HA   ALA  11           HA       ALA  11  -5.531   5.640  -6.538
   88    HB1  ALA  11           1HB      ALA  11  -6.406   3.964  -7.765
   89    HB2  ALA  11           2HB      ALA  11  -6.941   3.061  -6.347
   90    HB3  ALA  11           3HB      ALA  11  -7.898   4.419  -6.941
   91    H    GLY  12           H        GLY  12  -7.317   4.308  -3.779
   92    HA2  GLY  12           2HA      GLY  12  -7.990   6.822  -2.725
   93    HA3  GLY  12           3HA      GLY  12  -9.347   6.248  -3.683
   94    H    GLY  13           H        GLY  13  -9.186   3.507  -3.144
   95    HA2  GLY  13           2HA      GLY  13  -8.946   2.214  -0.969
   96    HA3  GLY  13           3HA      GLY  13  -9.918   3.508  -0.285
   97    H    VAL  14           H        VAL  14  -9.915   0.764  -2.468
   98    HA   VAL  14           HA       VAL  14 -12.769   0.928  -2.929
   99    HB   VAL  14           HB       VAL  14 -10.825  -1.261  -3.680
  100   HG11  VAL  14          1HG1      VAL  14 -13.034  -2.149  -3.661
  101   HG12  VAL  14          2HG1      VAL  14 -13.679  -0.725  -4.480
  102   HG13  VAL  14          3HG1      VAL  14 -12.613  -1.833  -5.344
  103   HG21  VAL  14          3HG2      VAL  14 -11.803   1.162  -5.174
  104   HG22  VAL  14          1HG2      VAL  14 -10.140   0.711  -4.800
  105   HG23  VAL  14          2HG2      VAL  14 -11.065  -0.226  -5.973
  106    H    GLY  15           H        GLY  15 -10.518  -1.082  -1.080
  107    HA2  GLY  15           2HA      GLY  15 -11.268  -1.867   1.107
  108    HA3  GLY  15           3HA      GLY  15 -12.846  -2.153   0.388
  109    H    LYS  16           H        LYS  16 -10.083  -2.987  -1.484
  110    HA   LYS  16           HA       LYS  16 -10.827  -5.780  -1.381
  111    HB2  LYS  16           2HB      LYS  16  -8.585  -4.441  -2.905
  112    HB3  LYS  16           3HB      LYS  16  -9.180  -6.077  -3.156
  113    HG2  LYS  16           2HG      LYS  16 -10.690  -3.520  -3.652
  114    HG3  LYS  16           3HG      LYS  16 -10.039  -4.620  -4.869
  115    HD2  LYS  16           2HD      LYS  16 -12.182  -5.292  -2.851
  116    HD3  LYS  16           3HD      LYS  16 -12.452  -4.933  -4.558
  117    HE2  LYS  16           2HE      LYS  16 -10.791  -7.217  -3.496
  118    HE3  LYS  16           3HE      LYS  16 -12.448  -7.353  -4.081
  119    HZ1  LYS  16           3HZ      LYS  16 -11.708  -6.614  -6.256
  120    HZ2  LYS  16           1HZ      LYS  16 -10.847  -7.990  -5.777
  121    HZ3  LYS  16           2HZ      LYS  16 -10.118  -6.466  -5.696
  122    H    SER  17           H        SER  17  -7.871  -3.897  -0.740
  123    HA   SER  17           HA       SER  17  -6.234  -5.937   0.140
  124    HB2  SER  17           2HB      SER  17  -5.115  -3.922  -0.061
  125    HB3  SER  17           3HB      SER  17  -6.392  -3.012   0.744
  126    HG   SER  17           HG       SER  17  -5.311  -3.241   2.517
  127    H    HIS  18           H        HIS  18  -8.875  -4.368   1.785
  128    HA   HIS  18           HA       HIS  18  -8.371  -4.983   4.429
  129    HB2  HIS  18           2HB      HIS  18 -10.944  -4.825   2.873
  130    HB3  HIS  18           3HB      HIS  18 -10.932  -5.167   4.600
  131    HD1  HIS  18           HD1      HIS  18  -9.134  -2.560   2.474
  132    HD2  HIS  18           HD2      HIS  18 -11.470  -2.869   5.896
  133    HE1  HIS  18           HE1      HIS  18  -9.318  -0.220   3.376
  134    H    VAL  19           H        VAL  19  -9.369  -7.081   1.830
  135    HA   VAL  19           HA       VAL  19 -10.184  -9.271   3.466
  136    HB   VAL  19           HB       VAL  19  -9.278  -9.306   0.584
  137   HG11  VAL  19          1HG1      VAL  19 -10.747 -11.306   2.286
  138   HG12  VAL  19          2HG1      VAL  19 -10.741 -11.364   0.522
  139   HG13  VAL  19          3HG1      VAL  19  -9.228 -11.523   1.416
  140   HG21  VAL  19          3HG2      VAL  19 -12.082  -9.131   1.680
  141   HG22  VAL  19          1HG2      VAL  19 -11.171  -7.766   1.035
  142   HG23  VAL  19          2HG2      VAL  19 -11.601  -9.114  -0.017
  143    H    TRP  20           H        TRP  20  -7.217  -8.548   1.645
  144    HA   TRP  20           HA       TRP  20  -5.886 -10.824   2.906
  145    HB2  TRP  20           2HB      TRP  20  -4.790  -8.925   0.823
  146    HB3  TRP  20           3HB      TRP  20  -4.108 -10.475   1.310
  147    HD1  TRP  20           HD1      TRP  20  -6.834  -8.953  -0.867
  148    HE1  TRP  20           HE1      TRP  20  -7.826 -10.792  -2.370
  149    HE3  TRP  20           HE3      TRP  20  -4.559 -13.025   1.226
  150    HZ2  TRP  20           HZ2      TRP  20  -7.666 -13.598  -2.633
  151    HZ3  TRP  20           HZ3      TRP  20  -5.033 -15.251   0.290
  152    HH2  TRP  20           HH2      TRP  20  -6.555 -15.529  -1.599
  Start of MODEL   14
    1    H1   MET   1           H        MET   1   0.834   0.409  -1.011
    2    HA   MET   1           HA       MET   1   2.996   0.606  -2.829
    3    HB2  MET   1           2HB      MET   1   2.494   2.194  -0.939
    4    HB3  MET   1           3HB      MET   1   3.112   0.974   0.166
    5    HG2  MET   1           2HG      MET   1   4.933   1.589  -2.026
    6    HG3  MET   1           3HG      MET   1   4.572   2.969  -0.992
    7    HE1  MET   1           3HE      MET   1   6.227   3.568   0.582
    8    HE2  MET   1           1HE      MET   1   5.056   2.933   1.738
    9    HE3  MET   1           2HE      MET   1   6.768   2.548   1.916
   10    H    THR   2           H        THR   2   1.926  -1.977  -1.028
   11    HA   THR   2           HA       THR   2   4.612  -3.146  -0.779
   12    HB   THR   2           HB       THR   2   3.279  -3.159   1.286
   13    HG1  THR   2           HG1      THR   2   3.485  -5.448   1.655
   14   HG21  THR   2          3HG2      THR   2   1.421  -5.240   0.436
   15   HG22  THR   2          1HG2      THR   2   1.139  -3.695  -0.365
   16   HG23  THR   2          2HG2      THR   2   1.131  -3.790   1.396
   17    H    GLU   3           H        GLU   3   1.510  -3.503  -2.331
   18    HA   GLU   3           HA       GLU   3   2.542  -5.164  -4.367
   19    HB2  GLU   3           2HB      GLU   3   2.521  -6.973  -2.840
   20    HB3  GLU   3           3HB      GLU   3   0.961  -6.501  -2.181
   21    HG2  GLU   3           2HG      GLU   3  -0.171  -7.197  -4.159
   22    HG3  GLU   3           3HG      GLU   3   1.355  -7.457  -5.003
   23    H    TYR   4           H        TYR   4  -0.587  -5.004  -2.659
   24    HA   TYR   4           HA       TYR   4  -1.816  -4.153  -5.195
   25    HB2  TYR   4           2HB      TYR   4  -3.966  -4.929  -3.953
   26    HB3  TYR   4           3HB      TYR   4  -2.882  -6.143  -4.624
   27    HD1  TYR   4           HD2      TYR   4  -3.435  -4.265  -1.439
   28    HD2  TYR   4           HD1      TYR   4  -2.282  -7.923  -3.281
   29    HE1  TYR   4           HE2      TYR   4  -3.252  -5.316   0.777
   30    HE2  TYR   4           HE1      TYR   4  -2.097  -8.985  -1.070
   31    HH   TYR   4           HH       TYR   4  -1.727  -8.278   1.287
   32    H    LYS   5           H        LYS   5  -1.195  -3.275  -1.930
   33    HA   LYS   5           HA       LYS   5  -3.251  -1.425  -1.472
   34    HB2  LYS   5           2HB      LYS   5  -0.481  -1.789  -0.396
   35    HB3  LYS   5           3HB      LYS   5  -1.376  -0.331   0.012
   36    HG2  LYS   5           2HG      LYS   5  -2.829  -1.430   1.352
   37    HG3  LYS   5           3HG      LYS   5  -2.792  -2.900   0.375
   38    HD2  LYS   5           2HD      LYS   5  -1.011  -3.760   1.494
   39    HD3  LYS   5           3HD      LYS   5  -0.294  -2.174   1.789
   40    HE2  LYS   5           2HE      LYS   5  -1.663  -1.771   3.638
   41    HE3  LYS   5           3HE      LYS   5  -2.820  -3.016   3.168
   42    HZ1  LYS   5           3HZ      LYS   5  -0.150  -3.994   3.658
   43    HZ2  LYS   5           1HZ      LYS   5  -1.639  -4.600   4.184
   44    HZ3  LYS   5           2HZ      LYS   5  -0.900  -3.330   5.022
   45    H    LEU   6           H        LEU   6  -0.581  -1.309  -3.596
   46    HA   LEU   6           HA       LEU   6  -0.398   1.563  -3.727
   47    HB2  LEU   6           2HB      LEU   6   1.130   1.163  -5.594
   48    HB3  LEU   6           3HB      LEU   6   1.563   0.221  -4.169
   49    HG   LEU   6           HG       LEU   6   0.014  -1.541  -5.590
   50   HD11  LEU   6          1HD1      LEU   6   0.531  -1.456  -7.862
   51   HD12  LEU   6          2HD1      LEU   6   1.810  -0.265  -7.624
   52   HD13  LEU   6          3HD1      LEU   6   0.120   0.210  -7.456
   53   HD21  LEU   6          3HD2      LEU   6   2.971  -1.091  -5.389
   54   HD22  LEU   6          1HD2      LEU   6   2.314  -2.446  -6.307
   55   HD23  LEU   6          2HD2      LEU   6   1.971  -2.301  -4.583
   56    H    VAL   7           H        VAL   7  -2.416  -0.819  -5.066
   57    HA   VAL   7           HA       VAL   7  -3.294   1.024  -7.192
   58    HB   VAL   7           HB       VAL   7  -3.682  -1.967  -7.015
   59   HG11  VAL   7          1HG1      VAL   7  -5.478  -1.497  -8.287
   60   HG12  VAL   7          2HG1      VAL   7  -4.893   0.116  -8.700
   61   HG13  VAL   7          3HG1      VAL   7  -4.281  -1.294  -9.567
   62   HG21  VAL   7          3HG2      VAL   7  -1.673  -0.239  -8.325
   63   HG22  VAL   7          1HG2      VAL   7  -1.531  -1.889  -7.718
   64   HG23  VAL   7          2HG2      VAL   7  -2.296  -1.586  -9.278
   65    H    VAL   8           H        VAL   8  -4.602  -1.474  -5.004
   66    HA   VAL   8           HA       VAL   8  -7.287  -0.667  -5.218
   67    HB   VAL   8           HB       VAL   8  -5.945  -2.091  -2.915
   68   HG11  VAL   8          1HG1      VAL   8  -8.731  -1.330  -3.473
   69   HG12  VAL   8          2HG1      VAL   8  -8.490  -3.003  -2.966
   70   HG13  VAL   8          3HG1      VAL   8  -7.933  -1.680  -1.940
   71   HG21  VAL   8          3HG2      VAL   8  -5.830  -3.899  -4.202
   72   HG22  VAL   8          1HG2      VAL   8  -7.544  -3.768  -4.596
   73   HG23  VAL   8          2HG2      VAL   8  -6.347  -2.921  -5.575
   74    H    VAL   9           H        VAL   9  -4.935  -0.054  -2.606
   75    HA   VAL   9           HA       VAL   9  -6.690   1.928  -1.421
   76    HB   VAL   9           HB       VAL   9  -3.874   1.233  -0.589
   77   HG11  VAL   9          1HG1      VAL   9  -4.453   3.210   0.489
   78   HG12  VAL   9          2HG1      VAL   9  -6.141   2.731   0.674
   79   HG13  VAL   9          3HG1      VAL   9  -4.893   1.971   1.663
   80   HG21  VAL   9          3HG2      VAL   9  -6.484  -0.010   0.272
   81   HG22  VAL   9          1HG2      VAL   9  -5.166  -0.803  -0.592
   82   HG23  VAL   9          2HG2      VAL   9  -4.934  -0.268   1.073
   83    H    GLY  10           H        GLY  10  -3.909   1.813  -3.496
   84    HA2  GLY  10           2HA      GLY  10  -2.955   4.444  -3.084
   85    HA3  GLY  10           3HA      GLY  10  -2.660   3.454  -4.506
   86    H    ALA  11           H        ALA  11  -5.724   3.258  -4.725
   87    HA   ALA  11           HA       ALA  11  -5.988   5.646  -6.376
   88    HB1  ALA  11           1HB      ALA  11  -6.898   4.121  -7.722
   89    HB2  ALA  11           2HB      ALA  11  -7.088   2.957  -6.410
   90    HB3  ALA  11           3HB      ALA  11  -8.315   4.197  -6.674
   91    H    GLY  12           H        GLY  12  -7.156   4.328  -3.393
   92    HA2  GLY  12           2HA      GLY  12  -8.036   6.502  -2.144
   93    HA3  GLY  12           3HA      GLY  12  -9.376   6.212  -3.243
   94    H    GLY  13           H        GLY  13  -8.690   3.225  -2.946
   95    HA2  GLY  13           2HA      GLY  13  -8.865   1.678  -1.065
   96    HA3  GLY  13           3HA      GLY  13  -9.897   2.861  -0.275
   97    H    VAL  14           H        VAL  14  -9.705   0.486  -2.853
   98    HA   VAL  14           HA       VAL  14 -12.431   0.746  -3.665
   99    HB   VAL  14           HB       VAL  14 -10.617  -1.630  -4.090
  100   HG11  VAL  14          1HG1      VAL  14 -13.104  -1.837  -4.531
  101   HG12  VAL  14          2HG1      VAL  14 -12.873  -0.664  -5.828
  102   HG13  VAL  14          3HG1      VAL  14 -12.036  -2.216  -5.882
  103   HG21  VAL  14          3HG2      VAL  14 -10.945   0.830  -5.807
  104   HG22  VAL  14          1HG2      VAL  14  -9.522   0.421  -4.848
  105   HG23  VAL  14          2HG2      VAL  14  -9.989  -0.595  -6.212
  106    H    GLY  15           H        GLY  15 -10.687  -1.314  -1.399
  107    HA2  GLY  15           2HA      GLY  15 -11.924  -2.032   0.588
  108    HA3  GLY  15           3HA      GLY  15 -13.298  -2.332  -0.465
  109    H    LYS  16           H        LYS  16 -10.205  -3.216  -1.667
  110    HA   LYS  16           HA       LYS  16 -10.899  -6.046  -1.283
  111    HB2  LYS  16           2HB      LYS  16  -8.857  -4.954  -3.213
  112    HB3  LYS  16           3HB      LYS  16  -9.617  -6.539  -3.224
  113    HG2  LYS  16           2HG      LYS  16 -11.020  -3.928  -3.754
  114    HG3  LYS  16           3HG      LYS  16 -10.492  -5.082  -4.981
  115    HD2  LYS  16           2HD      LYS  16 -12.335  -6.300  -4.705
  116    HD3  LYS  16           3HD      LYS  16 -12.058  -6.410  -2.966
  117    HE2  LYS  16           2HE      LYS  16 -13.077  -4.152  -2.727
  118    HE3  LYS  16           3HE      LYS  16 -13.467  -4.192  -4.446
  119    HZ1  LYS  16           3HZ      LYS  16 -15.391  -4.901  -3.344
  120    HZ2  LYS  16           1HZ      LYS  16 -14.537  -5.914  -2.291
  121    HZ3  LYS  16           2HZ      LYS  16 -14.688  -6.326  -3.924
  122    H    SER  17           H        SER  17  -8.161  -3.792  -1.134
  123    HA   SER  17           HA       SER  17  -6.176  -5.512  -0.284
  124    HB2  SER  17           2HB      SER  17  -5.623  -3.243  -0.843
  125    HB3  SER  17           3HB      SER  17  -6.663  -2.616   0.436
  126    HG   SER  17           HG       SER  17  -5.208  -3.175   1.924
  127    H    HIS  18           H        HIS  18  -8.866  -4.199   1.498
  128    HA   HIS  18           HA       HIS  18  -7.994  -4.600   4.116
  129    HB2  HIS  18           2HB      HIS  18 -10.798  -4.882   3.013
  130    HB3  HIS  18           3HB      HIS  18 -10.385  -4.694   4.715
  131    HD1  HIS  18           HD1      HIS  18  -8.098  -2.473   3.667
  132    HD2  HIS  18           HD2      HIS  18 -12.239  -2.413   3.330
  133    HE1  HIS  18           HE1      HIS  18  -8.715  -0.052   3.377
  134    H    VAL  19           H        VAL  19  -9.304  -6.855   1.769
  135    HA   VAL  19           HA       VAL  19  -9.880  -9.009   3.448
  136    HB   VAL  19           HB       VAL  19  -8.845  -9.104   0.611
  137   HG11  VAL  19          1HG1      VAL  19 -10.321 -11.278   0.742
  138   HG12  VAL  19          2HG1      VAL  19  -8.635 -11.290   1.265
  139   HG13  VAL  19          3HG1      VAL  19  -9.930 -11.172   2.458
  140   HG21  VAL  19          3HG2      VAL  19 -11.344  -8.224   1.725
  141   HG22  VAL  19          1HG2      VAL  19 -10.799  -8.208   0.048
  142   HG23  VAL  19          2HG2      VAL  19 -11.594  -9.639   0.703
  143    H    TRP  20           H        TRP  20  -6.914  -8.478   1.534
  144    HA   TRP  20           HA       TRP  20  -5.522 -10.424   3.215
  145    HB2  TRP  20           2HB      TRP  20  -4.476  -9.006   0.760
  146    HB3  TRP  20           3HB      TRP  20  -3.800 -10.436   1.537
  147    HD1  TRP  20           HD1      TRP  20  -6.548  -9.346  -0.859
  148    HE1  TRP  20           HE1      TRP  20  -7.592 -11.437  -1.938
  149    HE3  TRP  20           HE3      TRP  20  -4.289 -12.943   1.987
  150    HZ2  TRP  20           HZ2      TRP  20  -7.474 -14.239  -1.624
  151    HZ3  TRP  20           HZ3      TRP  20  -4.810 -15.305   1.533
  152    HH2  TRP  20           HH2      TRP  20  -6.370 -15.937  -0.235
  Start of MODEL   15
    1    H1   MET   1           H        MET   1   1.722   0.171   1.108
    2    HA   MET   1           HA       MET   1   1.212  -0.004  -1.790
    3    HB2  MET   1           2HB      MET   1   1.708   2.301  -0.916
    4    HB3  MET   1           3HB      MET   1   3.301   1.717  -0.450
    5    HG2  MET   1           2HG      MET   1   3.463   1.001  -2.947
    6    HG3  MET   1           3HG      MET   1   2.174   2.182  -3.168
    7    HE1  MET   1           3HE      MET   1   6.371   2.245  -2.907
    8    HE2  MET   1           1HE      MET   1   5.159   1.567  -3.995
    9    HE3  MET   1           2HE      MET   1   5.833   3.165  -4.314
   10    H    THR   2           H        THR   2   1.777  -2.339  -0.732
   11    HA   THR   2           HA       THR   2   4.659  -2.747  -1.202
   12    HB   THR   2           HB       THR   2   3.919  -3.265   1.127
   13    HG1  THR   2           HG1      THR   2   5.681  -4.416   0.621
   14   HG21  THR   2          3HG2      THR   2   1.656  -4.093   0.504
   15   HG22  THR   2          1HG2      THR   2   2.540  -5.195   1.559
   16   HG23  THR   2          2HG2      THR   2   2.411  -5.538  -0.166
   17    H    GLU   3           H        GLU   3   1.405  -3.808  -1.898
   18    HA   GLU   3           HA       GLU   3   2.369  -5.220  -4.242
   19    HB2  GLU   3           2HB      GLU   3   2.431  -7.056  -2.751
   20    HB3  GLU   3           3HB      GLU   3   0.922  -6.584  -1.981
   21    HG2  GLU   3           2HG      GLU   3   0.590  -8.524  -3.380
   22    HG3  GLU   3           3HG      GLU   3  -0.297  -7.143  -4.023
   23    H    TYR   4           H        TYR   4  -0.650  -5.092  -2.344
   24    HA   TYR   4           HA       TYR   4  -2.034  -4.204  -4.784
   25    HB2  TYR   4           2HB      TYR   4  -4.103  -4.951  -3.400
   26    HB3  TYR   4           3HB      TYR   4  -3.080  -6.181  -4.134
   27    HD1  TYR   4           HD2      TYR   4  -3.389  -4.280  -0.930
   28    HD2  TYR   4           HD1      TYR   4  -2.425  -7.965  -2.825
   29    HE1  TYR   4           HE2      TYR   4  -3.072  -5.324   1.275
   30    HE2  TYR   4           HE1      TYR   4  -2.107  -9.020  -0.626
   31    HH   TYR   4           HH       TYR   4  -1.593  -7.481   2.095
   32    H    LYS   5           H        LYS   5  -1.171  -3.323  -1.578
   33    HA   LYS   5           HA       LYS   5  -3.183  -1.399  -1.070
   34    HB2  LYS   5           2HB      LYS   5  -0.408  -1.827   0.013
   35    HB3  LYS   5           3HB      LYS   5  -1.391  -0.461   0.523
   36    HG2  LYS   5           2HG      LYS   5  -2.828  -1.757   1.714
   37    HG3  LYS   5           3HG      LYS   5  -2.615  -3.157   0.661
   38    HD2  LYS   5           2HD      LYS   5  -1.620  -3.657   2.782
   39    HD3  LYS   5           3HD      LYS   5  -0.322  -3.430   1.608
   40    HE2  LYS   5           2HE      LYS   5   0.367  -2.269   3.535
   41    HE3  LYS   5           3HE      LYS   5  -0.209  -1.028   2.422
   42    HZ1  LYS   5           3HZ      LYS   5  -1.013  -1.383   5.011
   43    HZ2  LYS   5           1HZ      LYS   5  -2.297  -2.005   4.103
   44    HZ3  LYS   5           2HZ      LYS   5  -1.776  -0.416   3.852
   45    H    LEU   6           H        LEU   6  -0.612  -1.429  -3.260
   46    HA   LEU   6           HA       LEU   6  -0.211   1.440  -3.302
   47    HB2  LEU   6           2HB      LEU   6   1.311   0.977  -5.163
   48    HB3  LEU   6           3HB      LEU   6   1.680   0.006  -3.740
   49    HG   LEU   6           HG       LEU   6   0.033  -1.638  -5.227
   50   HD11  LEU   6          1HD1      LEU   6   0.726  -1.602  -7.470
   51   HD12  LEU   6          2HD1      LEU   6   2.024  -0.456  -7.139
   52   HD13  LEU   6          3HD1      LEU   6   0.344   0.075  -7.079
   53   HD21  LEU   6          3HD2      LEU   6   1.989  -2.353  -4.007
   54   HD22  LEU   6          1HD2      LEU   6   3.043  -1.483  -5.122
   55   HD23  LEU   6          2HD2      LEU   6   2.121  -2.877  -5.686
   56    H    VAL   7           H        VAL   7  -2.265  -0.864  -4.783
   57    HA   VAL   7           HA       VAL   7  -3.054   1.085  -6.846
   58    HB   VAL   7           HB       VAL   7  -3.546  -1.896  -6.774
   59   HG11  VAL   7          1HG1      VAL   7  -4.078  -1.163  -9.306
   60   HG12  VAL   7          2HG1      VAL   7  -5.309  -1.283  -8.048
   61   HG13  VAL   7          3HG1      VAL   7  -4.610   0.285  -8.452
   62   HG21  VAL   7          3HG2      VAL   7  -2.094  -1.493  -8.991
   63   HG22  VAL   7          1HG2      VAL   7  -1.449  -0.199  -7.980
   64   HG23  VAL   7          2HG2      VAL   7  -1.376  -1.872  -7.425
   65    H    VAL   8           H        VAL   8  -4.510  -1.460  -4.808
   66    HA   VAL   8           HA       VAL   8  -7.150  -0.510  -5.034
   67    HB   VAL   8           HB       VAL   8  -5.928  -2.159  -2.816
   68   HG11  VAL   8          1HG1      VAL   8  -8.621  -2.816  -3.151
   69   HG12  VAL   8          2HG1      VAL   8  -7.894  -1.945  -1.799
   70   HG13  VAL   8          3HG1      VAL   8  -8.566  -1.054  -3.166
   71   HG21  VAL   8          3HG2      VAL   8  -6.033  -3.950  -4.147
   72   HG22  VAL   8          1HG2      VAL   8  -7.632  -3.511  -4.747
   73   HG23  VAL   8          2HG2      VAL   8  -6.191  -2.809  -5.482
   74    H    VAL   9           H        VAL   9  -4.860  -0.215  -2.313
   75    HA   VAL   9           HA       VAL   9  -6.537   1.765  -1.031
   76    HB   VAL   9           HB       VAL   9  -3.760   0.907  -0.220
   77   HG11  VAL   9          1HG1      VAL   9  -4.143   2.702   1.116
   78   HG12  VAL   9          2HG1      VAL   9  -5.897   2.563   0.989
   79   HG13  VAL   9          3HG1      VAL   9  -5.002   1.492   2.067
   80   HG21  VAL   9          3HG2      VAL   9  -4.813  -0.715   1.256
   81   HG22  VAL   9          1HG2      VAL   9  -6.404  -0.263   0.643
   82   HG23  VAL   9          2HG2      VAL   9  -5.237  -1.045  -0.424
   83    H    GLY  10           H        GLY  10  -3.752   1.689  -3.095
   84    HA2  GLY  10           2HA      GLY  10  -2.754   4.286  -2.483
   85    HA3  GLY  10           3HA      GLY  10  -2.382   3.345  -3.920
   86    H    ALA  11           H        ALA  11  -5.419   3.186  -4.352
   87    HA   ALA  11           HA       ALA  11  -5.557   5.609  -5.952
   88    HB1  ALA  11           1HB      ALA  11  -7.336   4.592  -7.118
   89    HB2  ALA  11           2HB      ALA  11  -6.168   3.306  -6.811
   90    HB3  ALA  11           3HB      ALA  11  -7.624   3.430  -5.823
   91    H    GLY  12           H        GLY  12  -6.906   4.295  -3.039
   92    HA2  GLY  12           2HA      GLY  12  -7.750   6.477  -1.785
   93    HA3  GLY  12           3HA      GLY  12  -9.044   6.278  -2.958
   94    H    GLY  13           H        GLY  13  -8.519   3.255  -2.701
   95    HA2  GLY  13           2HA      GLY  13  -8.864   1.680  -0.863
   96    HA3  GLY  13           3HA      GLY  13  -9.886   2.894  -0.107
   97    H    VAL  14           H        VAL  14  -9.643   0.627  -2.791
   98    HA   VAL  14           HA       VAL  14 -12.320   1.003  -3.701
   99    HB   VAL  14           HB       VAL  14 -10.569  -1.413  -4.152
  100   HG11  VAL  14          1HG1      VAL  14 -12.046  -2.090  -5.718
  101   HG12  VAL  14          2HG1      VAL  14 -13.177  -1.125  -4.767
  102   HG13  VAL  14          3HG1      VAL  14 -12.435  -0.444  -6.216
  103   HG21  VAL  14          3HG2      VAL  14  -9.191   0.235  -4.962
  104   HG22  VAL  14          1HG2      VAL  14 -10.179  -0.089  -6.386
  105   HG23  VAL  14          2HG2      VAL  14 -10.530   1.308  -5.369
  106    H    GLY  15           H        GLY  15 -10.748  -1.224  -1.466
  107    HA2  GLY  15           2HA      GLY  15 -12.040  -2.029   0.428
  108    HA3  GLY  15           3HA      GLY  15 -13.431  -2.137  -0.641
  109    H    LYS  16           H        LYS  16 -10.351  -3.180  -1.812
  110    HA   LYS  16           HA       LYS  16 -11.299  -5.962  -1.694
  111    HB2  LYS  16           2HB      LYS  16  -9.150  -4.861  -3.504
  112    HB3  LYS  16           3HB      LYS  16  -9.976  -6.408  -3.636
  113    HG2  LYS  16           2HG      LYS  16 -11.313  -3.731  -3.962
  114    HG3  LYS  16           3HG      LYS  16 -10.725  -4.732  -5.292
  115    HD2  LYS  16           2HD      LYS  16 -12.604  -5.919  -5.264
  116    HD3  LYS  16           3HD      LYS  16 -12.347  -6.330  -3.567
  117    HE2  LYS  16           2HE      LYS  16 -13.329  -4.067  -3.009
  118    HE3  LYS  16           3HE      LYS  16 -13.807  -3.955  -4.702
  119    HZ1  LYS  16           3HZ      LYS  16 -15.526  -5.294  -4.347
  120    HZ2  LYS  16           1HZ      LYS  16 -15.236  -5.126  -2.689
  121    HZ3  LYS  16           2HZ      LYS  16 -14.585  -6.439  -3.533
  122    H    SER  17           H        SER  17  -8.375  -3.974  -1.351
  123    HA   SER  17           HA       SER  17  -6.593  -5.946  -0.567
  124    HB2  SER  17           2HB      SER  17  -5.628  -3.855  -0.976
  125    HB3  SER  17           3HB      SER  17  -6.791  -3.011   0.046
  126    HG   SER  17           HG       SER  17  -5.688  -3.576   1.805
  127    H    HIS  18           H        HIS  18  -9.137  -4.392   1.239
  128    HA   HIS  18           HA       HIS  18  -8.396  -4.894   3.850
  129    HB2  HIS  18           2HB      HIS  18 -11.095  -4.873   2.514
  130    HB3  HIS  18           3HB      HIS  18 -10.925  -5.139   4.246
  131    HD1  HIS  18           HD1      HIS  18  -9.292  -2.589   1.931
  132    HD2  HIS  18           HD2      HIS  18 -11.533  -2.790   5.424
  133    HE1  HIS  18           HE1      HIS  18  -9.502  -0.215   2.732
  134    H    VAL  19           H        VAL  19  -9.633  -7.108   1.437
  135    HA   VAL  19           HA       VAL  19 -10.395  -9.252   3.026
  136    HB   VAL  19           HB       VAL  19  -9.049  -9.364   0.323
  137   HG11  VAL  19          1HG1      VAL  19  -8.978 -11.527   1.384
  138   HG12  VAL  19          2HG1      VAL  19 -10.689 -11.416   1.805
  139   HG13  VAL  19          3HG1      VAL  19 -10.202 -11.545   0.114
  140   HG21  VAL  19          3HG2      VAL  19 -11.988  -9.381   0.998
  141   HG22  VAL  19          1HG2      VAL  19 -11.100  -7.970   0.423
  142   HG23  VAL  19          2HG2      VAL  19 -11.267  -9.389  -0.611
  143    H    TRP  20           H        TRP  20  -7.191  -8.559   1.639
  144    HA   TRP  20           HA       TRP  20  -6.020 -10.711   3.218
  145    HB2  TRP  20           2HB      TRP  20  -4.807  -8.849   1.165
  146    HB3  TRP  20           3HB      TRP  20  -3.933 -10.139   1.986
  147    HD1  TRP  20           HD1      TRP  20  -6.491  -9.537  -0.769
  148    HE1  TRP  20           HE1      TRP  20  -6.828 -11.723  -2.086
  149    HE3  TRP  20           HE3      TRP  20  -3.846 -12.713   2.240
  150    HZ2  TRP  20           HZ2      TRP  20  -6.072 -14.434  -1.877
  151    HZ3  TRP  20           HZ3      TRP  20  -3.702 -15.088   1.610
  152    HH2  TRP  20           HH2      TRP  20  -4.794 -15.929  -0.405
  Start of MODEL   16
    1    H1   MET   1           H        MET   1   1.566   0.216   1.003
    2    HA   MET   1           HA       MET   1   1.187  -0.005  -1.911
    3    HB2  MET   1           2HB      MET   1   1.705   2.295  -1.039
    4    HB3  MET   1           3HB      MET   1   3.257   1.676  -0.492
    5    HG2  MET   1           2HG      MET   1   3.506   0.924  -2.977
    6    HG3  MET   1           3HG      MET   1   2.275   2.152  -3.262
    7    HE1  MET   1           3HE      MET   1   6.224   1.938  -1.714
    8    HE2  MET   1           1HE      MET   1   5.584   1.179  -3.172
    9    HE3  MET   1           2HE      MET   1   6.554   2.646  -3.296
   10    H    THR   2           H        THR   2   1.642  -2.342  -0.803
   11    HA   THR   2           HA       THR   2   4.531  -2.830  -1.141
   12    HB   THR   2           HB       THR   2   3.677  -3.307   1.156
   13    HG1  THR   2           HG1      THR   2   4.401  -5.738  -0.107
   14   HG21  THR   2          3HG2      THR   2   2.154  -5.541  -0.188
   15   HG22  THR   2          1HG2      THR   2   1.418  -4.072   0.451
   16   HG23  THR   2          2HG2      THR   2   2.228  -5.199   1.540
   17    H    GLU   3           H        GLU   3   1.284  -3.817  -1.972
   18    HA   GLU   3           HA       GLU   3   2.316  -5.276  -4.257
   19    HB2  GLU   3           2HB      GLU   3   2.258  -7.097  -2.748
   20    HB3  GLU   3           3HB      GLU   3   0.729  -6.577  -2.054
   21    HG2  GLU   3           2HG      GLU   3   0.406  -8.521  -3.448
   22    HG3  GLU   3           3HG      GLU   3  -0.406  -7.122  -4.149
   23    H    TYR   4           H        TYR   4  -0.782  -5.046  -2.503
   24    HA   TYR   4           HA       TYR   4  -2.027  -4.146  -5.012
   25    HB2  TYR   4           2HB      TYR   4  -4.178  -4.823  -3.719
   26    HB3  TYR   4           3HB      TYR   4  -3.156  -6.087  -4.395
   27    HD1  TYR   4           HD2      TYR   4  -3.562  -4.147  -1.224
   28    HD2  TYR   4           HD1      TYR   4  -2.610  -7.875  -3.041
   29    HE1  TYR   4           HE2      TYR   4  -3.376  -5.178   1.001
   30    HE2  TYR   4           HE1      TYR   4  -2.423  -8.917  -0.821
   31    HH   TYR   4           HH       TYR   4  -1.926  -7.484   1.846
   32    H    LYS   5           H        LYS   5  -1.291  -3.258  -1.776
   33    HA   LYS   5           HA       LYS   5  -3.271  -1.276  -1.378
   34    HB2  LYS   5           2HB      LYS   5  -0.561  -1.770  -0.166
   35    HB3  LYS   5           3HB      LYS   5  -1.523  -0.368   0.285
   36    HG2  LYS   5           2HG      LYS   5  -3.027  -1.598   1.449
   37    HG3  LYS   5           3HG      LYS   5  -2.864  -3.002   0.392
   38    HD2  LYS   5           2HD      LYS   5  -1.093  -3.845   1.557
   39    HD3  LYS   5           3HD      LYS   5  -0.515  -2.249   2.043
   40    HE2  LYS   5           2HE      LYS   5  -3.034  -3.486   3.132
   41    HE3  LYS   5           3HE      LYS   5  -1.455  -3.707   3.884
   42    HZ1  LYS   5           3HZ      LYS   5  -3.181  -1.382   3.859
   43    HZ2  LYS   5           1HZ      LYS   5  -1.539  -1.052   3.618
   44    HZ3  LYS   5           2HZ      LYS   5  -2.041  -1.873   5.008
   45    H    LEU   6           H        LEU   6  -0.601  -1.395  -3.445
   46    HA   LEU   6           HA       LEU   6  -0.124   1.462  -3.496
   47    HB2  LEU   6           2HB      LEU   6   1.471   0.943  -5.277
   48    HB3  LEU   6           3HB      LEU   6   1.745  -0.031  -3.834
   49    HG   LEU   6           HG       LEU   6   0.127  -1.640  -5.384
   50   HD11  LEU   6          1HD1      LEU   6   0.927  -1.637  -7.597
   51   HD12  LEU   6          2HD1      LEU   6   2.217  -0.498  -7.215
   52   HD13  LEU   6          3HD1      LEU   6   0.539   0.044  -7.233
   53   HD21  LEU   6          3HD2      LEU   6   3.140  -1.595  -5.263
   54   HD22  LEU   6          1HD2      LEU   6   2.130  -2.979  -5.679
   55   HD23  LEU   6          2HD2      LEU   6   2.076  -2.307  -4.050
   56    H    VAL   7           H        VAL   7  -2.186  -0.791  -5.031
   57    HA   VAL   7           HA       VAL   7  -2.822   1.153  -7.152
   58    HB   VAL   7           HB       VAL   7  -3.396  -1.813  -7.075
   59   HG11  VAL   7          1HG1      VAL   7  -5.082  -1.181  -8.434
   60   HG12  VAL   7          2HG1      VAL   7  -4.341   0.377  -8.807
   61   HG13  VAL   7          3HG1      VAL   7  -3.796  -1.082  -9.637
   62   HG21  VAL   7          3HG2      VAL   7  -1.209  -0.180  -8.216
   63   HG22  VAL   7          1HG2      VAL   7  -1.198  -1.842  -7.627
   64   HG23  VAL   7          2HG2      VAL   7  -1.841  -1.479  -9.228
   65    H    VAL   8           H        VAL   8  -4.436  -1.331  -5.158
   66    HA   VAL   8           HA       VAL   8  -7.035  -0.301  -5.508
   67    HB   VAL   8           HB       VAL   8  -5.977  -1.983  -3.232
   68   HG11  VAL   8          1HG1      VAL   8  -8.692  -2.519  -3.795
   69   HG12  VAL   8          2HG1      VAL   8  -7.999  -1.812  -2.334
   70   HG13  VAL   8          3HG1      VAL   8  -8.523  -0.770  -3.657
   71   HG21  VAL   8          3HG2      VAL   8  -7.385  -3.675  -4.797
   72   HG22  VAL   8          1HG2      VAL   8  -6.725  -2.584  -6.016
   73   HG23  VAL   8          2HG2      VAL   8  -5.641  -3.443  -4.920
   74    H    VAL   9           H        VAL   9  -4.877  -0.098  -2.672
   75    HA   VAL   9           HA       VAL   9  -6.541   1.924  -1.453
   76    HB   VAL   9           HB       VAL   9  -3.807   1.014  -0.554
   77   HG11  VAL   9          1HG1      VAL   9  -4.659   1.719   1.669
   78   HG12  VAL   9          2HG1      VAL   9  -4.518   3.047   0.516
   79   HG13  VAL   9          3HG1      VAL   9  -6.099   2.353   0.874
   80   HG21  VAL   9          3HG2      VAL   9  -4.940  -0.594   0.881
   81   HG22  VAL   9          1HG2      VAL   9  -6.499  -0.116   0.208
   82   HG23  VAL   9          2HG2      VAL   9  -5.304  -0.914  -0.814
   83    H    GLY  10           H        GLY  10  -3.700   1.804  -3.435
   84    HA2  GLY  10           2HA      GLY  10  -2.620   4.342  -2.781
   85    HA3  GLY  10           3HA      GLY  10  -2.309   3.438  -4.256
   86    H    ALA  11           H        ALA  11  -5.359   3.421  -4.637
   87    HA   ALA  11           HA       ALA  11  -5.418   5.866  -6.194
   88    HB1  ALA  11           1HB      ALA  11  -6.952   4.849  -7.485
   89    HB2  ALA  11           2HB      ALA  11  -6.380   3.387  -6.681
   90    HB3  ALA  11           3HB      ALA  11  -7.836   4.197  -6.104
   91    H    GLY  12           H        GLY  12  -7.127   4.447  -3.441
   92    HA2  GLY  12           2HA      GLY  12  -7.671   6.863  -2.177
   93    HA3  GLY  12           3HA      GLY  12  -9.064   6.502  -3.185
   94    H    GLY  13           H        GLY  13  -9.003   3.670  -2.910
   95    HA2  GLY  13           2HA      GLY  13  -8.896   2.190  -0.852
   96    HA3  GLY  13           3HA      GLY  13  -9.839   3.460  -0.086
   97    H    VAL  14           H        VAL  14  -9.876   0.835  -2.380
   98    HA   VAL  14           HA       VAL  14 -12.692   1.185  -2.984
   99    HB   VAL  14           HB       VAL  14 -10.810  -1.047  -3.765
  100   HG11  VAL  14          1HG1      VAL  14 -12.659  -1.242  -5.605
  101   HG12  VAL  14          2HG1      VAL  14 -12.888  -2.003  -4.029
  102   HG13  VAL  14          3HG1      VAL  14 -13.669  -0.462  -4.388
  103   HG21  VAL  14          3HG2      VAL  14 -11.587   1.526  -5.097
  104   HG22  VAL  14          1HG2      VAL  14  -9.977   0.860  -4.821
  105   HG23  VAL  14          2HG2      VAL  14 -11.034   0.139  -6.034
  106    H    GLY  15           H        GLY  15 -10.638  -0.954  -1.074
  107    HA2  GLY  15           2HA      GLY  15 -11.564  -1.804   1.017
  108    HA3  GLY  15           3HA      GLY  15 -13.088  -2.032   0.172
  109    H    LYS  16           H        LYS  16 -10.107  -2.857  -1.395
  110    HA   LYS  16           HA       LYS  16 -10.928  -5.653  -1.429
  111    HB2  LYS  16           2HB      LYS  16  -8.646  -4.309  -2.888
  112    HB3  LYS  16           3HB      LYS  16  -9.259  -5.931  -3.179
  113    HG2  LYS  16           2HG      LYS  16 -10.723  -3.345  -3.662
  114    HG3  LYS  16           3HG      LYS  16 -10.063  -4.434  -4.884
  115    HD2  LYS  16           2HD      LYS  16 -12.255  -5.110  -2.922
  116    HD3  LYS  16           3HD      LYS  16 -12.485  -4.717  -4.627
  117    HE2  LYS  16           2HE      LYS  16 -11.013  -6.662  -5.184
  118    HE3  LYS  16           3HE      LYS  16 -11.029  -7.091  -3.474
  119    HZ1  LYS  16           3HZ      LYS  16 -12.745  -8.355  -4.238
  120    HZ2  LYS  16           1HZ      LYS  16 -13.181  -7.261  -5.453
  121    HZ3  LYS  16           2HZ      LYS  16 -13.603  -6.951  -3.845
  122    H    SER  17           H        SER  17  -8.050  -3.728  -0.616
  123    HA   SER  17           HA       SER  17  -6.369  -5.750   0.225
  124    HB2  SER  17           2HB      SER  17  -5.437  -3.587   0.095
  125    HB3  SER  17           3HB      SER  17  -6.678  -2.895   1.139
  126    HG   SER  17           HG       SER  17  -5.418  -3.311   2.753
  127    H    HIS  18           H        HIS  18  -9.135  -4.373   1.836
  128    HA   HIS  18           HA       HIS  18  -8.712  -5.102   4.464
  129    HB2  HIS  18           2HB      HIS  18 -11.213  -4.942   2.802
  130    HB3  HIS  18           3HB      HIS  18 -11.278  -5.419   4.496
  131    HD1  HIS  18           HD1      HIS  18  -9.483  -2.586   2.679
  132    HD2  HIS  18           HD2      HIS  18 -11.975  -3.253   5.935
  133    HE1  HIS  18           HE1      HIS  18  -9.810  -0.333   3.747
  134    H    VAL  19           H        VAL  19  -9.510  -7.104   1.725
  135    HA   VAL  19           HA       VAL  19 -10.357  -9.400   3.152
  136    HB   VAL  19           HB       VAL  19  -9.064  -9.341   0.425
  137   HG11  VAL  19          1HG1      VAL  19 -10.298 -11.387   0.032
  138   HG12  VAL  19          2HG1      VAL  19  -9.288 -11.563   1.468
  139   HG13  VAL  19          3HG1      VAL  19 -11.022 -11.289   1.637
  140   HG21  VAL  19          3HG2      VAL  19 -11.573  -8.239   1.323
  141   HG22  VAL  19          1HG2      VAL  19 -10.806  -8.141  -0.262
  142   HG23  VAL  19          2HG2      VAL  19 -11.834  -9.518   0.136
  143    H    TRP  20           H        TRP  20  -7.226  -8.535   1.694
  144    HA   TRP  20           HA       TRP  20  -5.975 -10.754   3.141
  145    HB2  TRP  20           2HB      TRP  20  -4.953  -8.984   0.912
  146    HB3  TRP  20           3HB      TRP  20  -3.985 -10.221   1.711
  147    HD1  TRP  20           HD1      TRP  20  -6.800  -9.787  -0.816
  148    HE1  TRP  20           HE1      TRP  20  -7.230 -12.041  -1.981
  149    HE3  TRP  20           HE3      TRP  20  -3.842 -12.778   2.089
  150    HZ2  TRP  20           HZ2      TRP  20  -6.423 -14.732  -1.704
  151    HZ3  TRP  20           HZ3      TRP  20  -3.727 -15.181   1.573
  152    HH2  TRP  20           HH2      TRP  20  -4.992 -16.136  -0.285
  Start of MODEL   17
    1    H1   MET   1           H        MET   1   1.716   0.202   0.953
    2    HA   MET   1           HA       MET   1   1.271   0.035  -1.953
    3    HB2  MET   1           2HB      MET   1   1.856   2.350  -1.165
    4    HB3  MET   1           3HB      MET   1   3.401   1.711  -0.620
    5    HG2  MET   1           2HG      MET   1   3.601   0.874  -3.079
    6    HG3  MET   1           3HG      MET   1   2.388   2.114  -3.391
    7    HE1  MET   1           3HE      MET   1   4.431   3.936  -4.969
    8    HE2  MET   1           1HE      MET   1   5.966   3.144  -4.612
    9    HE3  MET   1           2HE      MET   1   4.535   2.175  -4.964
   10    H    THR   2           H        THR   2   1.686  -2.275  -0.776
   11    HA   THR   2           HA       THR   2   4.557  -2.844  -1.137
   12    HB   THR   2           HB       THR   2   3.725  -3.220   1.188
   13    HG1  THR   2           HG1      THR   2   5.354  -4.565   1.004
   14   HG21  THR   2          3HG2      THR   2   1.445  -3.950   0.582
   15   HG22  THR   2          1HG2      THR   2   2.257  -5.100   1.643
   16   HG23  THR   2          2HG2      THR   2   2.117  -5.439  -0.083
   17    H    GLU   3           H        GLU   3   1.275  -3.775  -1.888
   18    HA   GLU   3           HA       GLU   3   2.236  -5.339  -4.135
   19    HB2  GLU   3           2HB      GLU   3   2.158  -7.105  -2.563
   20    HB3  GLU   3           3HB      GLU   3   0.652  -6.524  -1.866
   21    HG2  GLU   3           2HG      GLU   3   0.264  -8.506  -3.188
   22    HG3  GLU   3           3HG      GLU   3  -0.528  -7.113  -3.923
   23    H    TYR   4           H        TYR   4  -0.828  -4.974  -2.346
   24    HA   TYR   4           HA       TYR   4  -2.089  -4.128  -4.867
   25    HB2  TYR   4           2HB      TYR   4  -4.236  -4.708  -3.520
   26    HB3  TYR   4           3HB      TYR   4  -3.255  -6.019  -4.166
   27    HD1  TYR   4           HD2      TYR   4  -3.565  -3.963  -1.059
   28    HD2  TYR   4           HD1      TYR   4  -2.732  -7.773  -2.760
   29    HE1  TYR   4           HE2      TYR   4  -3.371  -4.921   1.197
   30    HE2  TYR   4           HE1      TYR   4  -2.537  -8.742  -0.508
   31    HH   TYR   4           HH       TYR   4  -2.027  -7.114   2.157
   32    H    LYS   5           H        LYS   5  -1.282  -3.148  -1.675
   33    HA   LYS   5           HA       LYS   5  -3.207  -1.105  -1.318
   34    HB2  LYS   5           2HB      LYS   5  -0.493  -1.622  -0.126
   35    HB3  LYS   5           3HB      LYS   5  -1.419  -0.187   0.292
   36    HG2  LYS   5           2HG      LYS   5  -2.941  -1.349   1.506
   37    HG3  LYS   5           3HG      LYS   5  -2.803  -2.795   0.503
   38    HD2  LYS   5           2HD      LYS   5  -1.038  -3.616   1.690
   39    HD3  LYS   5           3HD      LYS   5  -0.432  -2.011   2.106
   40    HE2  LYS   5           2HE      LYS   5  -2.970  -3.139   3.261
   41    HE3  LYS   5           3HE      LYS   5  -1.393  -3.402   4.003
   42    HZ1  LYS   5           3HZ      LYS   5  -2.938  -0.918   3.759
   43    HZ2  LYS   5           1HZ      LYS   5  -1.250  -0.825   3.820
   44    HZ3  LYS   5           2HZ      LYS   5  -2.104  -1.537   5.094
   45    H    LEU   6           H        LEU   6  -0.574  -1.362  -3.417
   46    HA   LEU   6           HA       LEU   6  -0.028   1.479  -3.572
   47    HB2  LEU   6           2HB      LEU   6   1.533   0.860  -5.351
   48    HB3  LEU   6           3HB      LEU   6   1.801  -0.070  -3.878
   49    HG   LEU   6           HG       LEU   6   0.126  -1.691  -5.354
   50   HD11  LEU   6          1HD1      LEU   6   2.221  -0.669  -7.248
   51   HD12  LEU   6          2HD1      LEU   6   0.559  -0.078  -7.263
   52   HD13  LEU   6          3HD1      LEU   6   0.891  -1.782  -7.575
   53   HD21  LEU   6          3HD2      LEU   6   3.118  -1.633  -5.039
   54   HD22  LEU   6          1HD2      LEU   6   2.251  -2.979  -5.780
   55   HD23  LEU   6          2HD2      LEU   6   1.941  -2.550  -4.097
   56    H    VAL   7           H        VAL   7  -2.168  -0.770  -4.995
   57    HA   VAL   7           HA       VAL   7  -2.785   1.113  -7.176
   58    HB   VAL   7           HB       VAL   7  -3.421  -1.835  -6.994
   59   HG11  VAL   7          1HG1      VAL   7  -3.840  -1.185  -9.572
   60   HG12  VAL   7          2HG1      VAL   7  -5.113  -1.202  -8.350
   61   HG13  VAL   7          3HG1      VAL   7  -4.334   0.317  -8.792
   62   HG21  VAL   7          3HG2      VAL   7  -1.212  -0.291  -8.208
   63   HG22  VAL   7          1HG2      VAL   7  -1.235  -1.937  -7.575
   64   HG23  VAL   7          2HG2      VAL   7  -1.886  -1.599  -9.178
   65    H    VAL   8           H        VAL   8  -4.429  -1.271  -5.088
   66    HA   VAL   8           HA       VAL   8  -7.007  -0.179  -5.438
   67    HB   VAL   8           HB       VAL   8  -5.960  -1.856  -3.152
   68   HG11  VAL   8          1HG1      VAL   8  -7.979  -0.860  -2.428
   69   HG12  VAL   8          2HG1      VAL   8  -8.751  -1.113  -3.995
   70   HG13  VAL   8          3HG1      VAL   8  -8.399  -2.490  -2.951
   71   HG21  VAL   8          3HG2      VAL   8  -6.636  -3.762  -4.345
   72   HG22  VAL   8          1HG2      VAL   8  -7.557  -2.811  -5.509
   73   HG23  VAL   8          2HG2      VAL   8  -5.795  -2.766  -5.533
   74    H    VAL   9           H        VAL   9  -4.830   0.003  -2.614
   75    HA   VAL   9           HA       VAL   9  -6.417   2.083  -1.406
   76    HB   VAL   9           HB       VAL   9  -3.674   1.152  -0.561
   77   HG11  VAL   9          1HG1      VAL   9  -5.545   3.095   0.444
   78   HG12  VAL   9          2HG1      VAL   9  -5.253   1.833   1.642
   79   HG13  VAL   9          3HG1      VAL   9  -3.899   2.745   0.973
   80   HG21  VAL   9          3HG2      VAL   9  -5.203  -0.759  -0.747
   81   HG22  VAL   9          1HG2      VAL   9  -4.791  -0.413   0.933
   82   HG23  VAL   9          2HG2      VAL   9  -6.361   0.072   0.292
   83    H    GLY  10           H        GLY  10  -3.625   1.890  -3.452
   84    HA2  GLY  10           2HA      GLY  10  -2.501   4.427  -2.872
   85    HA3  GLY  10           3HA      GLY  10  -2.234   3.491  -4.335
   86    H    ALA  11           H        ALA  11  -5.287   3.500  -4.657
   87    HA   ALA  11           HA       ALA  11  -5.354   5.969  -6.197
   88    HB1  ALA  11           1HB      ALA  11  -7.745   4.284  -6.239
   89    HB2  ALA  11           2HB      ALA  11  -6.776   4.916  -7.570
   90    HB3  ALA  11           3HB      ALA  11  -6.268   3.453  -6.727
   91    H    GLY  12           H        GLY  12  -7.226   4.374  -3.630
   92    HA2  GLY  12           2HA      GLY  12  -7.852   6.809  -2.336
   93    HA3  GLY  12           3HA      GLY  12  -9.217   6.302  -3.319
   94    H    GLY  13           H        GLY  13  -8.997   3.518  -2.994
   95    HA2  GLY  13           2HA      GLY  13  -8.732   2.062  -0.937
   96    HA3  GLY  13           3HA      GLY  13  -9.700   3.291  -0.136
   97    H    VAL  14           H        VAL  14  -9.713   0.640  -2.396
   98    HA   VAL  14           HA       VAL  14 -12.558   0.856  -2.905
   99    HB   VAL  14           HB       VAL  14 -10.712  -1.412  -3.655
  100   HG11  VAL  14          1HG1      VAL  14 -13.336  -0.523  -4.847
  101   HG12  VAL  14          2HG1      VAL  14 -12.374  -1.917  -5.340
  102   HG13  VAL  14          3HG1      VAL  14 -13.132  -1.886  -3.748
  103   HG21  VAL  14          3HG2      VAL  14 -10.503  -0.312  -5.840
  104   HG22  VAL  14          1HG2      VAL  14 -11.408   1.070  -5.222
  105   HG23  VAL  14          2HG2      VAL  14  -9.829   0.675  -4.543
  106    H    GLY  15           H        GLY  15 -10.364  -1.127  -0.987
  107    HA2  GLY  15           2HA      GLY  15 -11.197  -1.953   1.151
  108    HA3  GLY  15           3HA      GLY  15 -12.731  -2.275   0.355
  109    H    LYS  16           H        LYS  16  -9.880  -3.026  -1.408
  110    HA   LYS  16           HA       LYS  16 -10.563  -5.813  -1.448
  111    HB2  LYS  16           2HB      LYS  16  -8.124  -4.438  -2.588
  112    HB3  LYS  16           3HB      LYS  16  -8.702  -6.047  -2.999
  113    HG2  LYS  16           2HG      LYS  16 -10.094  -3.439  -3.569
  114    HG3  LYS  16           3HG      LYS  16  -9.297  -4.493  -4.739
  115    HD2  LYS  16           2HD      LYS  16 -11.705  -5.217  -3.070
  116    HD3  LYS  16           3HD      LYS  16 -11.733  -4.771  -4.777
  117    HE2  LYS  16           2HE      LYS  16 -10.181  -6.707  -5.193
  118    HE3  LYS  16           3HE      LYS  16 -10.460  -7.196  -3.523
  119    HZ1  LYS  16           3HZ      LYS  16 -12.602  -6.862  -5.551
  120    HZ2  LYS  16           1HZ      LYS  16 -12.781  -7.468  -3.982
  121    HZ3  LYS  16           2HZ      LYS  16 -11.904  -8.345  -5.133
  122    H    SER  17           H        SER  17  -7.785  -3.936  -0.259
  123    HA   SER  17           HA       SER  17  -6.231  -5.997   0.718
  124    HB2  SER  17           2HB      SER  17  -5.287  -3.825   0.728
  125    HB3  SER  17           3HB      SER  17  -6.612  -3.166   1.687
  126    HG   SER  17           HG       SER  17  -5.781  -4.038   3.474
  127    H    HIS  18           H        HIS  18  -9.136  -4.601   2.049
  128    HA   HIS  18           HA       HIS  18  -9.000  -5.435   4.688
  129    HB2  HIS  18           2HB      HIS  18 -11.326  -5.108   2.804
  130    HB3  HIS  18           3HB      HIS  18 -11.560  -5.601   4.478
  131    HD1  HIS  18           HD1      HIS  18  -9.302  -2.894   3.045
  132    HD2  HIS  18           HD2      HIS  18 -12.453  -3.365   5.711
  133    HE1  HIS  18           HE1      HIS  18  -9.657  -0.627   4.073
  134    H    VAL  19           H        VAL  19  -9.588  -7.285   1.798
  135    HA   VAL  19           HA       VAL  19 -10.637  -9.600   3.098
  136    HB   VAL  19           HB       VAL  19  -9.351  -9.345   0.376
  137   HG11  VAL  19          1HG1      VAL  19 -10.777 -11.428  -0.044
  138   HG12  VAL  19          2HG1      VAL  19  -9.296 -11.628   0.894
  139   HG13  VAL  19          3HG1      VAL  19 -10.858 -11.571   1.712
  140   HG21  VAL  19          3HG2      VAL  19 -12.289  -9.472   1.010
  141   HG22  VAL  19          1HG2      VAL  19 -11.413  -7.949   0.853
  142   HG23  VAL  19          2HG2      VAL  19 -11.517  -9.053  -0.519
  143    H    TRP  20           H        TRP  20  -7.446  -8.784   1.749
  144    HA   TRP  20           HA       TRP  20  -6.314 -11.130   3.093
  145    HB2  TRP  20           2HB      TRP  20  -4.927  -9.277   1.150
  146    HB3  TRP  20           3HB      TRP  20  -4.403 -10.878   1.666
  147    HD1  TRP  20           HD1      TRP  20  -6.920  -9.153  -0.646
  148    HE1  TRP  20           HE1      TRP  20  -7.820 -10.888  -2.321
  149    HE3  TRP  20           HE3      TRP  20  -4.824 -13.368   1.348
  150    HZ2  TRP  20           HZ2      TRP  20  -7.662 -13.675  -2.740
  151    HZ3  TRP  20           HZ3      TRP  20  -5.248 -15.528   0.251
  152    HH2  TRP  20           HH2      TRP  20  -6.638 -15.677  -1.751
  Start of MODEL   18
    1    H1   MET   1           H        MET   1   1.882   0.262   0.933
    2    HA   MET   1           HA       MET   1   1.333  -0.039  -1.947
    3    HB2  MET   1           2HB      MET   1   1.849   2.303  -1.189
    4    HB3  MET   1           3HB      MET   1   3.444   1.735  -0.714
    5    HG2  MET   1           2HG      MET   1   3.578   0.901  -3.175
    6    HG3  MET   1           3HG      MET   1   2.288   2.072  -3.440
    7    HE1  MET   1           3HE      MET   1   5.729   3.512  -4.804
    8    HE2  MET   1           1HE      MET   1   4.686   2.107  -5.023
    9    HE3  MET   1           2HE      MET   1   4.020   3.733  -5.182
   10    H    THR   2           H        THR   2   1.901  -2.324  -0.791
   11    HA   THR   2           HA       THR   2   4.776  -2.766  -1.275
   12    HB   THR   2           HB       THR   2   4.064  -3.172   1.085
   13    HG1  THR   2           HG1      THR   2   5.838  -4.323   0.467
   14   HG21  THR   2          3HG2      THR   2   1.798  -4.000   0.611
   15   HG22  THR   2          1HG2      THR   2   2.716  -5.141   1.592
   16   HG23  THR   2          2HG2      THR   2   2.487  -5.444  -0.130
   17    H    GLU   3           H        GLU   3   1.512  -3.812  -1.912
   18    HA   GLU   3           HA       GLU   3   2.439  -5.345  -4.188
   19    HB2  GLU   3           2HB      GLU   3   2.516  -7.113  -2.619
   20    HB3  GLU   3           3HB      GLU   3   1.019  -6.603  -1.851
   21    HG2  GLU   3           2HG      GLU   3   0.662  -8.601  -3.157
   22    HG3  GLU   3           3HG      GLU   3  -0.226  -7.247  -3.853
   23    H    TYR   4           H        TYR   4  -0.554  -5.126  -2.259
   24    HA   TYR   4           HA       TYR   4  -1.968  -4.339  -4.716
   25    HB2  TYR   4           2HB      TYR   4  -4.020  -5.023  -3.273
   26    HB3  TYR   4           3HB      TYR   4  -3.010  -6.284  -3.971
   27    HD1  TYR   4           HD2      TYR   4  -3.275  -4.254  -0.843
   28    HD2  TYR   4           HD1      TYR   4  -2.335  -8.013  -2.600
   29    HE1  TYR   4           HE2      TYR   4  -2.929  -5.208   1.398
   30    HE2  TYR   4           HE1      TYR   4  -1.989  -8.978  -0.364
   31    HH   TYR   4           HH       TYR   4  -2.035  -6.985   2.524
   32    H    LYS   5           H        LYS   5  -1.068  -3.330  -1.556
   33    HA   LYS   5           HA       LYS   5  -3.068  -1.385  -1.097
   34    HB2  LYS   5           2HB      LYS   5  -0.270  -1.761  -0.054
   35    HB3  LYS   5           3HB      LYS   5  -1.245  -0.374   0.416
   36    HG2  LYS   5           2HG      LYS   5  -2.623  -1.607   1.720
   37    HG3  LYS   5           3HG      LYS   5  -2.496  -3.039   0.695
   38    HD2  LYS   5           2HD      LYS   5  -0.627  -3.801   1.757
   39    HD3  LYS   5           3HD      LYS   5  -0.058  -2.178   2.152
   40    HE2  LYS   5           2HE      LYS   5  -2.539  -3.211   3.447
   41    HE3  LYS   5           3HE      LYS   5  -0.971  -3.776   4.022
   42    HZ1  LYS   5           3HZ      LYS   5  -1.460  -0.891   3.704
   43    HZ2  LYS   5           1HZ      LYS   5  -0.380  -1.685   4.736
   44    HZ3  LYS   5           2HZ      LYS   5  -2.037  -1.692   5.077
   45    H    LEU   6           H        LEU   6  -0.524  -1.502  -3.323
   46    HA   LEU   6           HA       LEU   6  -0.146   1.364  -3.503
   47    HB2  LEU   6           2HB      LEU   6   1.362   0.835  -5.349
   48    HB3  LEU   6           3HB      LEU   6   1.743  -0.097  -3.903
   49    HG   LEU   6           HG       LEU   6   0.094  -1.795  -5.303
   50   HD11  LEU   6          1HD1      LEU   6   0.307  -0.127  -7.210
   51   HD12  LEU   6          2HD1      LEU   6   0.698  -1.808  -7.570
   52   HD13  LEU   6          3HD1      LEU   6   1.992  -0.636  -7.321
   53   HD21  LEU   6          3HD2      LEU   6   3.098  -1.674  -5.515
   54   HD22  LEU   6          1HD2      LEU   6   2.069  -3.100  -5.648
   55   HD23  LEU   6          2HD2      LEU   6   2.227  -2.269  -4.100
   56    H    VAL   7           H        VAL   7  -2.261  -0.976  -4.786
   57    HA   VAL   7           HA       VAL   7  -3.071   0.854  -6.950
   58    HB   VAL   7           HB       VAL   7  -3.562  -2.119  -6.715
   59   HG11  VAL   7          1HG1      VAL   7  -4.417  -0.083  -8.755
   60   HG12  VAL   7          2HG1      VAL   7  -4.338  -1.809  -9.115
   61   HG13  VAL   7          3HG1      VAL   7  -5.418  -1.219  -7.851
   62   HG21  VAL   7          3HG2      VAL   7  -2.159  -1.867  -8.967
   63   HG22  VAL   7          1HG2      VAL   7  -1.512  -0.480  -8.090
   64   HG23  VAL   7          2HG2      VAL   7  -1.392  -2.097  -7.395
   65    H    VAL   8           H        VAL   8  -4.480  -1.569  -4.739
   66    HA   VAL   8           HA       VAL   8  -7.124  -0.605  -4.963
   67    HB   VAL   8           HB       VAL   8  -5.882  -2.201  -2.718
   68   HG11  VAL   8          1HG1      VAL   8  -8.512  -1.078  -3.061
   69   HG12  VAL   8          2HG1      VAL   8  -8.586  -2.839  -2.990
   70   HG13  VAL   8          3HG1      VAL   8  -7.829  -1.934  -1.679
   71   HG21  VAL   8          3HG2      VAL   8  -7.209  -4.047  -4.008
   72   HG22  VAL   8          1HG2      VAL   8  -7.034  -2.940  -5.370
   73   HG23  VAL   8          2HG2      VAL   8  -5.602  -3.566  -4.553
   74    H    VAL   9           H        VAL   9  -4.814  -0.297  -2.258
   75    HA   VAL   9           HA       VAL   9  -6.424   1.723  -0.985
   76    HB   VAL   9           HB       VAL   9  -3.597   0.928  -0.290
   77   HG11  VAL   9          1HG1      VAL   9  -3.792   2.496   1.269
   78   HG12  VAL   9          2HG1      VAL   9  -5.456   2.827   0.783
   79   HG13  VAL   9          3HG1      VAL   9  -5.118   1.577   1.981
   80   HG21  VAL   9          3HG2      VAL   9  -4.573  -0.653   1.299
   81   HG22  VAL   9          1HG2      VAL   9  -6.186  -0.259   0.704
   82   HG23  VAL   9          2HG2      VAL   9  -5.025  -1.056  -0.357
   83    H    GLY  10           H        GLY  10  -3.723   1.636  -3.165
   84    HA2  GLY  10           2HA      GLY  10  -2.678   4.216  -2.681
   85    HA3  GLY  10           3HA      GLY  10  -2.486   3.292  -4.164
   86    H    ALA  11           H        ALA  11  -5.558   3.193  -4.246
   87    HA   ALA  11           HA       ALA  11  -5.830   5.674  -5.752
   88    HB1  ALA  11           1HB      ALA  11  -8.191   4.037  -5.785
   89    HB2  ALA  11           2HB      ALA  11  -7.114   4.478  -7.111
   90    HB3  ALA  11           3HB      ALA  11  -6.761   3.060  -6.123
   91    H    GLY  12           H        GLY  12  -7.684   3.888  -3.277
   92    HA2  GLY  12           2HA      GLY  12  -8.165   5.995  -1.569
   93    HA3  GLY  12           3HA      GLY  12  -9.449   6.075  -2.766
   94    H    GLY  13           H        GLY  13  -7.943   3.124  -1.556
   95    HA2  GLY  13           2HA      GLY  13  -8.810   1.345  -0.394
   96    HA3  GLY  13           3HA      GLY  13  -9.842   2.509   0.424
   97    H    VAL  14           H        VAL  14  -9.543   0.727  -2.637
   98    HA   VAL  14           HA       VAL  14 -12.167   1.105  -3.528
   99    HB   VAL  14           HB       VAL  14 -10.487  -1.353  -4.028
  100   HG11  VAL  14          1HG1      VAL  14 -12.309  -0.122  -6.033
  101   HG12  VAL  14          2HG1      VAL  14 -11.843  -1.810  -5.814
  102   HG13  VAL  14          3HG1      VAL  14 -13.015  -1.068  -4.724
  103   HG21  VAL  14          3HG2      VAL  14 -10.160   1.432  -4.918
  104   HG22  VAL  14          1HG2      VAL  14  -8.981   0.124  -4.817
  105   HG23  VAL  14          2HG2      VAL  14 -10.078   0.218  -6.195
  106    H    GLY  15           H        GLY  15 -10.795  -1.250  -1.304
  107    HA2  GLY  15           2HA      GLY  15 -12.254  -2.071   0.471
  108    HA3  GLY  15           3HA      GLY  15 -13.542  -2.163  -0.722
  109    H    LYS  16           H        LYS  16 -10.405  -3.169  -1.710
  110    HA   LYS  16           HA       LYS  16 -11.317  -5.965  -1.644
  111    HB2  LYS  16           2HB      LYS  16  -9.113  -4.842  -3.371
  112    HB3  LYS  16           3HB      LYS  16  -9.942  -6.383  -3.547
  113    HG2  LYS  16           2HG      LYS  16 -11.260  -3.698  -3.889
  114    HG3  LYS  16           3HG      LYS  16 -10.618  -4.677  -5.210
  115    HD2  LYS  16           2HD      LYS  16 -12.472  -5.906  -5.263
  116    HD3  LYS  16           3HD      LYS  16 -12.326  -6.275  -3.544
  117    HE2  LYS  16           2HE      LYS  16 -14.284  -5.154  -3.432
  118    HE3  LYS  16           3HE      LYS  16 -13.221  -3.749  -3.389
  119    HZ1  LYS  16           3HZ      LYS  16 -15.014  -4.644  -5.476
  120    HZ2  LYS  16           1HZ      LYS  16 -13.500  -4.123  -6.021
  121    HZ3  LYS  16           2HZ      LYS  16 -14.473  -3.085  -5.107
  122    H    SER  17           H        SER  17  -8.453  -3.921  -1.170
  123    HA   SER  17           HA       SER  17  -6.659  -5.867  -0.342
  124    HB2  SER  17           2HB      SER  17  -5.617  -3.835  -0.622
  125    HB3  SER  17           3HB      SER  17  -6.932  -2.935   0.134
  126    HG   SER  17           HG       SER  17  -5.999  -3.157   2.011
  127    H    HIS  18           H        HIS  18  -9.326  -4.424   1.358
  128    HA   HIS  18           HA       HIS  18  -8.663  -4.922   4.001
  129    HB2  HIS  18           2HB      HIS  18 -11.391  -5.168   2.714
  130    HB3  HIS  18           3HB      HIS  18 -11.084  -4.988   4.439
  131    HD1  HIS  18           HD1      HIS  18  -8.721  -2.781   3.545
  132    HD2  HIS  18           HD2      HIS  18 -12.831  -2.690   2.945
  133    HE1  HIS  18           HE1      HIS  18  -9.300  -0.355   3.224
  134    H    VAL  19           H        VAL  19  -9.637  -7.136   1.498
  135    HA   VAL  19           HA       VAL  19 -10.437  -9.315   3.074
  136    HB   VAL  19           HB       VAL  19  -9.093  -9.368   0.368
  137   HG11  VAL  19          1HG1      VAL  19  -8.963 -11.563   1.028
  138   HG12  VAL  19          2HG1      VAL  19 -10.403 -11.458   2.042
  139   HG13  VAL  19          3HG1      VAL  19 -10.563 -11.538   0.287
  140   HG21  VAL  19          3HG2      VAL  19 -11.161  -7.999   0.482
  141   HG22  VAL  19          1HG2      VAL  19 -11.310  -9.409  -0.567
  142   HG23  VAL  19          2HG2      VAL  19 -12.033  -9.427   1.042
  143    H    TRP  20           H        TRP  20  -7.249  -8.416   1.801
  144    HA   TRP  20           HA       TRP  20  -6.012 -10.628   3.243
  145    HB2  TRP  20           2HB      TRP  20  -4.821  -8.559   1.384
  146    HB3  TRP  20           3HB      TRP  20  -3.934  -9.898   2.105
  147    HD1  TRP  20           HD1      TRP  20  -6.423  -9.098  -0.659
  148    HE1  TRP  20           HE1      TRP  20  -6.677 -11.161  -2.178
  149    HE3  TRP  20           HE3      TRP  20  -3.809 -12.489   2.135
  150    HZ2  TRP  20           HZ2      TRP  20  -5.875 -13.867  -2.189
  151    HZ3  TRP  20           HZ3      TRP  20  -3.599 -14.794   1.299
  152    HH2  TRP  20           HH2      TRP  20  -4.612 -15.467  -0.818
  Start of MODEL   19
    1    H1   MET   1           H        MET   1   1.620   0.237   1.183
    2    HA   MET   1           HA       MET   1   1.304  -0.018  -1.737
    3    HB2  MET   1           2HB      MET   1   1.707   2.314  -0.901
    4    HB3  MET   1           3HB      MET   1   3.267   1.771  -0.296
    5    HG2  MET   1           2HG      MET   1   3.588   0.973  -2.775
    6    HG3  MET   1           3HG      MET   1   2.356   2.192  -3.093
    7    HE1  MET   1           3HE      MET   1   4.093   5.348  -3.263
    8    HE2  MET   1           1HE      MET   1   2.694   4.316  -3.557
    9    HE3  MET   1           2HE      MET   1   2.950   5.019  -1.960
   10    H    THR   2           H        THR   2   1.831  -2.319  -0.590
   11    HA   THR   2           HA       THR   2   4.743  -2.693  -0.863
   12    HB   THR   2           HB       THR   2   3.862  -3.168   1.426
   13    HG1  THR   2           HG1      THR   2   4.740  -5.559   0.169
   14   HG21  THR   2          3HG2      THR   2   1.657  -4.028   0.765
   15   HG22  THR   2          1HG2      THR   2   2.523  -5.177   1.785
   16   HG23  THR   2          2HG2      THR   2   2.430  -5.440   0.043
   17    H    GLU   3           H        GLU   3   1.564  -3.761  -1.795
   18    HA   GLU   3           HA       GLU   3   2.692  -5.227  -4.020
   19    HB2  GLU   3           2HB      GLU   3   2.692  -7.031  -2.487
   20    HB3  GLU   3           3HB      GLU   3   1.126  -6.576  -1.830
   21    HG2  GLU   3           2HG      GLU   3   0.920  -8.546  -3.206
   22    HG3  GLU   3           3HG      GLU   3   0.062  -7.194  -3.943
   23    H    TYR   4           H        TYR   4  -0.444  -5.139  -2.322
   24    HA   TYR   4           HA       TYR   4  -1.686  -4.310  -4.857
   25    HB2  TYR   4           2HB      TYR   4  -3.824  -5.081  -3.593
   26    HB3  TYR   4           3HB      TYR   4  -2.734  -6.297  -4.248
   27    HD1  TYR   4           HD2      TYR   4  -3.286  -4.370  -1.093
   28    HD2  TYR   4           HD1      TYR   4  -2.117  -8.051  -2.878
   29    HE1  TYR   4           HE2      TYR   4  -3.085  -5.382   1.140
   30    HE2  TYR   4           HE1      TYR   4  -1.915  -9.074  -0.651
   31    HH   TYR   4           HH       TYR   4  -1.493  -7.706   1.970
   32    H    LYS   5           H        LYS   5  -1.059  -3.375  -1.609
   33    HA   LYS   5           HA       LYS   5  -3.133  -1.497  -1.238
   34    HB2  LYS   5           2HB      LYS   5  -0.395  -1.814  -0.030
   35    HB3  LYS   5           3HB      LYS   5  -1.440  -0.469   0.409
   36    HG2  LYS   5           2HG      LYS   5  -2.858  -1.774   1.595
   37    HG3  LYS   5           3HG      LYS   5  -2.622  -3.176   0.548
   38    HD2  LYS   5           2HD      LYS   5  -0.799  -3.906   1.708
   39    HD3  LYS   5           3HD      LYS   5  -0.310  -2.276   2.178
   40    HE2  LYS   5           2HE      LYS   5  -2.395  -2.282   3.662
   41    HE3  LYS   5           3HE      LYS   5  -2.436  -4.022   3.386
   42    HZ1  LYS   5           3HZ      LYS   5   0.120  -2.924   4.224
   43    HZ2  LYS   5           1HZ      LYS   5  -0.647  -4.360   4.685
   44    HZ3  LYS   5           2HZ      LYS   5  -1.109  -2.892   5.385
   45    H    LEU   6           H        LEU   6  -0.430  -1.473  -3.282
   46    HA   LEU   6           HA       LEU   6  -0.155   1.408  -3.380
   47    HB2  LEU   6           2HB      LEU   6   1.502   0.978  -5.120
   48    HB3  LEU   6           3HB      LEU   6   1.814   0.030  -3.667
   49    HG   LEU   6           HG       LEU   6   0.340  -1.698  -5.218
   50   HD11  LEU   6          1HD1      LEU   6   2.335  -0.424  -7.064
   51   HD12  LEU   6          2HD1      LEU   6   0.628   0.015  -7.072
   52   HD13  LEU   6          3HD1      LEU   6   1.113  -1.642  -7.433
   53   HD21  LEU   6          3HD2      LEU   6   3.122  -1.358  -4.376
   54   HD22  LEU   6          1HD2      LEU   6   2.918  -2.363  -5.811
   55   HD23  LEU   6          2HD2      LEU   6   2.081  -2.781  -4.316
   56    H    VAL   7           H        VAL   7  -2.094  -0.970  -4.842
   57    HA   VAL   7           HA       VAL   7  -2.796   0.858  -7.044
   58    HB   VAL   7           HB       VAL   7  -3.316  -2.113  -6.875
   59   HG11  VAL   7          1HG1      VAL   7  -3.909  -0.021  -8.936
   60   HG12  VAL   7          2HG1      VAL   7  -3.703  -1.713  -9.393
   61   HG13  VAL   7          3HG1      VAL   7  -4.975  -1.252  -8.261
   62   HG21  VAL   7          3HG2      VAL   7  -1.161  -0.528  -8.245
   63   HG22  VAL   7          1HG2      VAL   7  -0.990  -1.889  -7.137
   64   HG23  VAL   7          2HG2      VAL   7  -1.610  -2.151  -8.767
   65    H    VAL   8           H        VAL   8  -4.298  -1.599  -4.934
   66    HA   VAL   8           HA       VAL   8  -6.944  -0.707  -5.343
   67    HB   VAL   8           HB       VAL   8  -5.810  -2.255  -3.008
   68   HG11  VAL   8          1HG1      VAL   8  -8.485  -1.270  -3.614
   69   HG12  VAL   8          2HG1      VAL   8  -8.431  -3.011  -3.334
   70   HG13  VAL   8          3HG1      VAL   8  -7.824  -1.900  -2.106
   71   HG21  VAL   8          3HG2      VAL   8  -6.562  -2.987  -5.759
   72   HG22  VAL   8          1HG2      VAL   8  -5.443  -3.765  -4.640
   73   HG23  VAL   8          2HG2      VAL   8  -7.177  -4.051  -4.495
   74    H    VAL   9           H        VAL   9  -4.823  -0.304  -2.500
   75    HA   VAL   9           HA       VAL   9  -6.575   1.692  -1.371
   76    HB   VAL   9           HB       VAL   9  -3.806   0.939  -0.436
   77   HG11  VAL   9          1HG1      VAL   9  -6.135   2.079   1.100
   78   HG12  VAL   9          2HG1      VAL   9  -4.491   1.822   1.686
   79   HG13  VAL   9          3HG1      VAL   9  -4.808   3.040   0.450
   80   HG21  VAL   9          3HG2      VAL   9  -5.078  -0.531   1.190
   81   HG22  VAL   9          1HG2      VAL   9  -6.471  -0.337   0.125
   82   HG23  VAL   9          2HG2      VAL   9  -4.999  -1.100  -0.477
   83    H    GLY  10           H        GLY  10  -3.667   1.617  -3.281
   84    HA2  GLY  10           2HA      GLY  10  -2.680   4.194  -2.753
   85    HA3  GLY  10           3HA      GLY  10  -2.407   3.283  -4.232
   86    H    ALA  11           H        ALA  11  -5.471   3.195  -4.485
   87    HA   ALA  11           HA       ALA  11  -5.647   5.619  -6.065
   88    HB1  ALA  11           1HB      ALA  11  -8.110   4.234  -6.091
   89    HB2  ALA  11           2HB      ALA  11  -6.886   4.312  -7.359
   90    HB3  ALA  11           3HB      ALA  11  -6.825   3.026  -6.154
   91    H    GLY  12           H        GLY  12  -7.345   4.153  -3.308
   92    HA2  GLY  12           2HA      GLY  12  -7.809   6.524  -1.944
   93    HA3  GLY  12           3HA      GLY  12  -9.205   6.275  -2.982
   94    H    GLY  13           H        GLY  13  -9.218   3.411  -2.832
   95    HA2  GLY  13           2HA      GLY  13  -9.185   1.889  -0.777
   96    HA3  GLY  13           3HA      GLY  13 -10.201   3.134  -0.066
   97    H    VAL  14           H        VAL  14 -10.020   0.612  -2.493
   98    HA   VAL  14           HA       VAL  14 -12.786   0.906  -3.269
   99    HB   VAL  14           HB       VAL  14 -10.901  -1.368  -3.898
  100   HG11  VAL  14          1HG1      VAL  14 -13.575  -0.519  -4.952
  101   HG12  VAL  14          2HG1      VAL  14 -12.467  -1.477  -5.936
  102   HG13  VAL  14          3HG1      VAL  14 -13.053  -2.109  -4.396
  103   HG21  VAL  14          3HG2      VAL  14 -11.116   0.162  -6.169
  104   HG22  VAL  14          1HG2      VAL  14 -11.015   1.372  -4.889
  105   HG23  VAL  14          2HG2      VAL  14  -9.746   0.158  -5.058
  106    H    GLY  15           H        GLY  15 -10.865  -1.321  -1.297
  107    HA2  GLY  15           2HA      GLY  15 -11.901  -2.207   0.724
  108    HA3  GLY  15           3HA      GLY  15 -13.398  -2.353  -0.185
  109    H    LYS  16           H        LYS  16 -10.504  -3.224  -1.816
  110    HA   LYS  16           HA       LYS  16 -11.318  -6.037  -1.701
  111    HB2  LYS  16           2HB      LYS  16  -9.278  -4.829  -3.563
  112    HB3  LYS  16           3HB      LYS  16 -10.132  -6.356  -3.739
  113    HG2  LYS  16           2HG      LYS  16 -11.435  -3.644  -3.845
  114    HG3  LYS  16           3HG      LYS  16 -10.950  -4.589  -5.255
  115    HD2  LYS  16           2HD      LYS  16 -13.057  -5.373  -5.159
  116    HD3  LYS  16           3HD      LYS  16 -12.416  -6.416  -3.887
  117    HE2  LYS  16           2HE      LYS  16 -13.442  -5.249  -2.226
  118    HE3  LYS  16           3HE      LYS  16 -13.328  -3.714  -3.085
  119    HZ1  LYS  16           3HZ      LYS  16 -15.571  -5.223  -2.821
  120    HZ2  LYS  16           1HZ      LYS  16 -15.055  -5.592  -4.390
  121    HZ3  LYS  16           2HZ      LYS  16 -15.345  -3.985  -3.951
  122    H    SER  17           H        SER  17  -8.262  -4.192  -1.787
  123    HA   SER  17           HA       SER  17  -6.560  -6.209  -0.975
  124    HB2  SER  17           2HB      SER  17  -5.323  -4.389  -1.571
  125    HB3  SER  17           3HB      SER  17  -6.490  -3.247  -0.905
  126    HG   SER  17           HG       SER  17  -4.974  -3.081   0.572
  127    H    HIS  18           H        HIS  18  -8.759  -4.282   0.922
  128    HA   HIS  18           HA       HIS  18  -7.763  -4.596   3.477
  129    HB2  HIS  18           2HB      HIS  18 -10.600  -4.503   2.462
  130    HB3  HIS  18           3HB      HIS  18 -10.221  -4.563   4.181
  131    HD1  HIS  18           HD1      HIS  18  -9.146  -2.415   1.218
  132    HD2  HIS  18           HD2      HIS  18 -10.119  -2.091   5.244
  133    HE1  HIS  18           HE1      HIS  18  -8.996   0.038   1.750
  134    H    VAL  19           H        VAL  19  -9.342  -6.932   1.426
  135    HA   VAL  19           HA       VAL  19 -10.115  -8.844   3.293
  136    HB   VAL  19           HB       VAL  19  -9.031  -9.326   0.513
  137   HG11  VAL  19          1HG1      VAL  19 -10.944 -11.252   1.160
  138   HG12  VAL  19          2HG1      VAL  19  -9.201 -11.488   1.007
  139   HG13  VAL  19          3HG1      VAL  19  -9.909 -11.129   2.583
  140   HG21  VAL  19          3HG2      VAL  19 -10.987  -8.645  -0.323
  141   HG22  VAL  19          1HG2      VAL  19 -11.906  -9.516   0.905
  142   HG23  VAL  19          2HG2      VAL  19 -11.279  -7.904   1.250
  143    H    TRP  20           H        TRP  20  -6.996  -8.454   1.637
  144    HA   TRP  20           HA       TRP  20  -5.837 -10.545   3.320
  145    HB2  TRP  20           2HB      TRP  20  -4.469  -9.002   1.113
  146    HB3  TRP  20           3HB      TRP  20  -3.967 -10.531   1.829
  147    HD1  TRP  20           HD1      TRP  20  -6.384  -9.072  -0.729
  148    HE1  TRP  20           HE1      TRP  20  -7.394 -10.995  -2.111
  149    HE3  TRP  20           HE3      TRP  20  -4.594 -13.032   1.963
  150    HZ2  TRP  20           HZ2      TRP  20  -7.427 -13.817  -2.065
  151    HZ3  TRP  20           HZ3      TRP  20  -5.161 -15.311   1.227
  152    HH2  TRP  20           HH2      TRP  20  -6.548 -15.693  -0.745
  Start of MODEL   20
    1    H1   MET   1           H        MET   1   1.527   0.126   1.226
    2    HA   MET   1           HA       MET   1   1.233  -0.062  -1.701
    3    HB2  MET   1           2HB      MET   1   1.645   2.249  -0.809
    4    HB3  MET   1           3HB      MET   1   3.199   1.682  -0.211
    5    HG2  MET   1           2HG      MET   1   3.563   0.948  -2.685
    6    HG3  MET   1           3HG      MET   1   2.296   2.129  -3.013
    7    HE1  MET   1           3HE      MET   1   5.217   4.000  -4.274
    8    HE2  MET   1           1HE      MET   1   3.745   3.071  -4.557
    9    HE3  MET   1           2HE      MET   1   3.642   4.716  -3.929
   10    H    THR   2           H        THR   2   1.732  -2.392  -0.625
   11    HA   THR   2           HA       THR   2   4.645  -2.779  -0.868
   12    HB   THR   2           HB       THR   2   3.735  -3.300   1.400
   13    HG1  THR   2           HG1      THR   2   5.454  -4.532   1.235
   14   HG21  THR   2          3HG2      THR   2   2.354  -5.256   1.723
   15   HG22  THR   2          1HG2      THR   2   2.343  -5.579  -0.010
   16   HG23  THR   2          2HG2      THR   2   1.533  -4.147   0.625
   17    H    GLU   3           H        GLU   3   1.459  -3.866  -1.801
   18    HA   GLU   3           HA       GLU   3   2.606  -5.276  -4.063
   19    HB2  GLU   3           2HB      GLU   3   2.559  -7.108  -2.567
   20    HB3  GLU   3           3HB      GLU   3   0.994  -6.640  -1.917
   21    HG2  GLU   3           2HG      GLU   3   0.779  -8.585  -3.333
   22    HG3  GLU   3           3HG      GLU   3  -0.061  -7.209  -4.046
   23    H    TYR   4           H        TYR   4  -0.551  -5.158  -2.406
   24    HA   TYR   4           HA       TYR   4  -1.746  -4.280  -4.947
   25    HB2  TYR   4           2HB      TYR   4  -3.913  -5.032  -3.723
   26    HB3  TYR   4           3HB      TYR   4  -2.832  -6.259  -4.375
   27    HD1  TYR   4           HD2      TYR   4  -3.394  -4.355  -1.206
   28    HD2  TYR   4           HD1      TYR   4  -2.269  -8.038  -3.016
   29    HE1  TYR   4           HE2      TYR   4  -3.243  -5.395   1.017
   30    HE2  TYR   4           HE1      TYR   4  -2.116  -9.089  -0.798
   31    HH   TYR   4           HH       TYR   4  -2.907  -7.276   2.151
   32    H    LYS   5           H        LYS   5  -1.141  -3.392  -1.683
   33    HA   LYS   5           HA       LYS   5  -3.192  -1.475  -1.335
   34    HB2  LYS   5           2HB      LYS   5  -0.497  -1.869  -0.049
   35    HB3  LYS   5           3HB      LYS   5  -1.542  -0.524   0.390
   36    HG2  LYS   5           2HG      LYS   5  -3.037  -1.853   1.469
   37    HG3  LYS   5           3HG      LYS   5  -2.720  -3.244   0.430
   38    HD2  LYS   5           2HD      LYS   5  -1.866  -3.754   2.600
   39    HD3  LYS   5           3HD      LYS   5  -0.485  -3.455   1.541
   40    HE2  LYS   5           2HE      LYS   5   0.083  -2.257   3.434
   41    HE3  LYS   5           3HE      LYS   5  -0.665  -1.021   2.424
   42    HZ1  LYS   5           3HZ      LYS   5  -2.645  -2.282   3.977
   43    HZ2  LYS   5           1HZ      LYS   5  -2.162  -0.661   3.993
   44    HZ3  LYS   5           2HZ      LYS   5  -1.391  -1.783   4.996
   45    H    LEU   6           H        LEU   6  -0.458  -1.495  -3.321
   46    HA   LEU   6           HA       LEU   6  -0.093   1.381  -3.351
   47    HB2  LEU   6           2HB      LEU   6   1.607   0.939  -5.041
   48    HB3  LEU   6           3HB      LEU   6   1.845  -0.053  -3.604
   49    HG   LEU   6           HG       LEU   6   0.375  -1.703  -5.236
   50   HD11  LEU   6          1HD1      LEU   6   1.196  -1.608  -7.430
   51   HD12  LEU   6          2HD1      LEU   6   2.448  -0.443  -7.004
   52   HD13  LEU   6          3HD1      LEU   6   0.757   0.054  -7.038
   53   HD21  LEU   6          3HD2      LEU   6   2.365  -2.989  -5.397
   54   HD22  LEU   6          1HD2      LEU   6   2.415  -2.163  -3.840
   55   HD23  LEU   6          2HD2      LEU   6   3.383  -1.563  -5.187
   56    H    VAL   7           H        VAL   7  -2.032  -0.933  -4.925
   57    HA   VAL   7           HA       VAL   7  -2.638   0.963  -7.099
   58    HB   VAL   7           HB       VAL   7  -3.119  -2.019  -7.011
   59   HG11  VAL   7          1HG1      VAL   7  -3.636  -1.624  -9.475
   60   HG12  VAL   7          2HG1      VAL   7  -4.858  -1.114  -8.307
   61   HG13  VAL   7          3HG1      VAL   7  -3.794   0.081  -9.051
   62   HG21  VAL   7          3HG2      VAL   7  -1.496  -1.645  -9.112
   63   HG22  VAL   7          1HG2      VAL   7  -0.943  -0.328  -8.078
   64   HG23  VAL   7          2HG2      VAL   7  -0.904  -1.990  -7.487
   65    H    VAL   8           H        VAL   8  -4.248  -1.553  -5.143
   66    HA   VAL   8           HA       VAL   8  -6.860  -0.571  -5.595
   67    HB   VAL   8           HB       VAL   8  -5.865  -2.291  -3.319
   68   HG11  VAL   8          1HG1      VAL   8  -7.935  -2.274  -2.521
   69   HG12  VAL   8          2HG1      VAL   8  -8.381  -1.082  -3.743
   70   HG13  VAL   8          3HG1      VAL   8  -8.567  -2.804  -4.080
   71   HG21  VAL   8          3HG2      VAL   8  -6.595  -2.861  -6.139
   72   HG22  VAL   8          1HG2      VAL   8  -5.390  -3.625  -5.103
   73   HG23  VAL   8          2HG2      VAL   8  -7.097  -4.024  -4.912
   74    H    VAL   9           H        VAL   9  -4.867  -0.447  -2.635
   75    HA   VAL   9           HA       VAL   9  -6.596   1.492  -1.413
   76    HB   VAL   9           HB       VAL   9  -3.827   0.693  -0.518
   77   HG11  VAL   9          1HG1      VAL   9  -4.707   2.690   0.560
   78   HG12  VAL   9          2HG1      VAL   9  -6.186   1.826   0.984
   79   HG13  VAL   9          3HG1      VAL   9  -4.646   1.345   1.698
   80   HG21  VAL   9          3HG2      VAL   9  -6.474  -0.584   0.167
   81   HG22  VAL   9          1HG2      VAL   9  -5.200  -1.301  -0.820
   82   HG23  VAL   9          2HG2      VAL   9  -4.917  -0.985   0.892
   83    H    GLY  10           H        GLY  10  -3.711   1.570  -3.343
   84    HA2  GLY  10           2HA      GLY  10  -2.707   4.093  -2.631
   85    HA3  GLY  10           3HA      GLY  10  -2.467   3.305  -4.184
   86    H    ALA  11           H        ALA  11  -5.524   3.239  -4.410
   87    HA   ALA  11           HA       ALA  11  -5.724   5.788  -5.771
   88    HB1  ALA  11           1HB      ALA  11  -6.779   4.363  -7.145
   89    HB2  ALA  11           2HB      ALA  11  -7.138   3.220  -5.850
   90    HB3  ALA  11           3HB      ALA  11  -8.164   4.635  -6.086
   91    H    GLY  12           H        GLY  12  -7.295   4.122  -3.065
   92    HA2  GLY  12           2HA      GLY  12  -7.761   6.365  -1.525
   93    HA3  GLY  12           3HA      GLY  12  -9.179   6.199  -2.549
   94    H    GLY  13           H        GLY  13  -9.213   3.342  -2.634
   95    HA2  GLY  13           2HA      GLY  13  -9.136   1.646  -0.723
   96    HA3  GLY  13           3HA      GLY  13 -10.112   2.834   0.128
   97    H    VAL  14           H        VAL  14 -10.054   0.427  -2.385
   98    HA   VAL  14           HA       VAL  14 -12.841   0.845  -3.079
   99    HB   VAL  14           HB       VAL  14 -10.981  -1.360  -3.975
  100   HG11  VAL  14          1HG1      VAL  14 -13.541  -0.367  -5.220
  101   HG12  VAL  14          2HG1      VAL  14 -12.558  -1.733  -5.750
  102   HG13  VAL  14          3HG1      VAL  14 -13.413  -1.806  -4.209
  103   HG21  VAL  14          3HG2      VAL  14 -11.563   1.348  -5.154
  104   HG22  VAL  14          1HG2      VAL  14 -10.001   0.678  -4.684
  105   HG23  VAL  14          2HG2      VAL  14 -10.855   0.026  -6.082
  106    H    GLY  15           H        GLY  15 -10.895  -1.321  -1.138
  107    HA2  GLY  15           2HA      GLY  15 -11.979  -2.347   0.789
  108    HA3  GLY  15           3HA      GLY  15 -13.387  -2.615  -0.228
  109    H    LYS  16           H        LYS  16 -10.323  -3.171  -1.669
  110    HA   LYS  16           HA       LYS  16 -10.894  -6.032  -1.748
  111    HB2  LYS  16           2HB      LYS  16  -8.676  -4.594  -3.196
  112    HB3  LYS  16           3HB      LYS  16  -9.385  -6.156  -3.582
  113    HG2  LYS  16           2HG      LYS  16 -10.800  -3.506  -3.788
  114    HG3  LYS  16           3HG      LYS  16 -10.090  -4.398  -5.135
  115    HD2  LYS  16           2HD      LYS  16 -12.187  -5.216  -5.336
  116    HD3  LYS  16           3HD      LYS  16 -11.649  -6.319  -4.067
  117    HE2  LYS  16           2HE      LYS  16 -12.852  -5.246  -2.437
  118    HE3  LYS  16           3HE      LYS  16 -12.799  -3.693  -3.269
  119    HZ1  LYS  16           3HZ      LYS  16 -14.898  -5.459  -3.230
  120    HZ2  LYS  16           1HZ      LYS  16 -14.235  -5.632  -4.777
  121    HZ3  LYS  16           2HZ      LYS  16 -14.736  -4.110  -4.237
  122    H    SER  17           H        SER  17  -8.008  -3.993  -1.239
  123    HA   SER  17           HA       SER  17  -6.308  -5.940  -0.273
  124    HB2  SER  17           2HB      SER  17  -5.267  -3.899  -0.675
  125    HB3  SER  17           3HB      SER  17  -6.503  -2.983   0.187
  126    HG   SER  17           HG       SER  17  -5.298  -3.128   1.887
  127    H    HIS  18           H        HIS  18  -8.924  -4.302   1.345
  128    HA   HIS  18           HA       HIS  18  -8.328  -4.724   4.007
  129    HB2  HIS  18           2HB      HIS  18 -10.935  -4.682   2.509
  130    HB3  HIS  18           3HB      HIS  18 -10.896  -4.968   4.247
  131    HD1  HIS  18           HD1      HIS  18  -8.788  -2.471   2.328
  132    HD2  HIS  18           HD2      HIS  18 -11.826  -2.572   5.161
  133    HE1  HIS  18           HE1      HIS  18  -9.088  -0.089   3.078
  134    H    VAL  19           H        VAL  19  -9.373  -7.014   1.593
  135    HA   VAL  19           HA       VAL  19 -10.173  -9.097   3.328
  136    HB   VAL  19           HB       VAL  19  -9.042  -9.363   0.539
  137   HG11  VAL  19          1HG1      VAL  19  -9.322 -11.546   0.816
  138   HG12  VAL  19          2HG1      VAL  19  -9.912 -11.285   2.459
  139   HG13  VAL  19          3HG1      VAL  19 -11.041 -11.277   1.103
  140   HG21  VAL  19          3HG2      VAL  19 -10.927  -7.791   0.620
  141   HG22  VAL  19          1HG2      VAL  19 -11.346  -9.273  -0.238
  142   HG23  VAL  19          2HG2      VAL  19 -11.911  -9.021   1.414
  143    H    TRP  20           H        TRP  20  -7.098  -8.471   1.651
  144    HA   TRP  20           HA       TRP  20  -5.823 -10.550   3.275
  145    HB2  TRP  20           2HB      TRP  20  -4.592  -9.017   0.983
  146    HB3  TRP  20           3HB      TRP  20  -4.026 -10.524   1.699
  147    HD1  TRP  20           HD1      TRP  20  -6.586  -9.154  -0.769
  148    HE1  TRP  20           HE1      TRP  20  -7.619 -11.118  -2.073
  149    HE3  TRP  20           HE3      TRP  20  -4.598 -13.035   1.900
  150    HZ2  TRP  20           HZ2      TRP  20  -7.595 -13.939  -1.982
  151    HZ3  TRP  20           HZ3      TRP  20  -5.153 -15.336   1.226
  152    HH2  TRP  20           HH2      TRP  20  -6.621 -15.776  -0.675
  Start of MODEL   21
    1    H1   MET   1           H        MET   1   0.886   0.556  -1.497
    2    HA   MET   1           HA       MET   1   3.091   0.319  -3.051
    3    HB2  MET   1           2HB      MET   1   2.791   2.073  -1.354
    4    HB3  MET   1           3HB      MET   1   3.105   0.898  -0.083
    5    HG2  MET   1           2HG      MET   1   5.197   1.051  -2.121
    6    HG3  MET   1           3HG      MET   1   4.960   2.538  -1.204
    7    HE1  MET   1           3HE      MET   1   6.705   2.010   1.968
    8    HE2  MET   1           1HE      MET   1   6.254   3.052   0.617
    9    HE3  MET   1           2HE      MET   1   5.012   2.431   1.705
   10    H    THR   2           H        THR   2   1.927  -2.077  -1.021
   11    HA   THR   2           HA       THR   2   4.548  -3.374  -0.756
   12    HB   THR   2           HB       THR   2   3.189  -3.186   1.304
   13    HG1  THR   2           HG1      THR   2   3.201  -5.926   0.692
   14   HG21  THR   2          3HG2      THR   2   1.160  -4.477   1.569
   15   HG22  THR   2          1HG2      THR   2   1.288  -5.079  -0.083
   16   HG23  THR   2          2HG2      THR   2   0.971  -3.369   0.210
   17    H    GLU   3           H        GLU   3   1.432  -3.653  -2.288
   18    HA   GLU   3           HA       GLU   3   2.366  -5.482  -4.222
   19    HB2  GLU   3           2HB      GLU   3   2.256  -7.197  -2.594
   20    HB3  GLU   3           3HB      GLU   3   0.724  -6.608  -1.964
   21    HG2  GLU   3           2HG      GLU   3  -0.413  -7.307  -3.979
   22    HG3  GLU   3           3HG      GLU   3   1.116  -7.819  -4.691
   23    H    TYR   4           H        TYR   4  -0.748  -5.080  -2.529
   24    HA   TYR   4           HA       TYR   4  -1.938  -4.303  -5.107
   25    HB2  TYR   4           2HB      TYR   4  -4.121  -4.904  -3.831
   26    HB3  TYR   4           3HB      TYR   4  -3.097  -6.206  -4.427
   27    HD1  TYR   4           HD2      TYR   4  -3.549  -4.120  -1.356
   28    HD2  TYR   4           HD1      TYR   4  -2.599  -7.935  -2.982
   29    HE1  TYR   4           HE2      TYR   4  -3.420  -5.050   0.917
   30    HE2  TYR   4           HE1      TYR   4  -2.468  -8.877  -0.714
   31    HH   TYR   4           HH       TYR   4  -3.531  -7.131   2.063
   32    H    LYS   5           H        LYS   5  -1.253  -3.274  -1.903
   33    HA   LYS   5           HA       LYS   5  -3.214  -1.313  -1.521
   34    HB2  LYS   5           2HB      LYS   5  -0.426  -1.699  -0.490
   35    HB3  LYS   5           3HB      LYS   5  -1.292  -0.211  -0.129
   36    HG2  LYS   5           2HG      LYS   5  -2.670  -1.213   1.336
   37    HG3  LYS   5           3HG      LYS   5  -2.787  -2.692   0.378
   38    HD2  LYS   5           2HD      LYS   5  -0.946  -3.635   1.360
   39    HD3  LYS   5           3HD      LYS   5  -0.193  -2.074   1.699
   40    HE2  LYS   5           2HE      LYS   5  -2.669  -3.036   3.113
   41    HE3  LYS   5           3HE      LYS   5  -1.042  -3.376   3.700
   42    HZ1  LYS   5           3HZ      LYS   5  -1.876  -0.608   3.117
   43    HZ2  LYS   5           1HZ      LYS   5  -0.650  -1.156   4.147
   44    HZ3  LYS   5           2HZ      LYS   5  -2.272  -1.329   4.595
   45    H    LEU   6           H        LEU   6  -0.574  -1.426  -3.689
   46    HA   LEU   6           HA       LEU   6  -0.312   1.428  -4.004
   47    HB2  LEU   6           2HB      LEU   6   1.207   0.873  -5.832
   48    HB3  LEU   6           3HB      LEU   6   1.611  -0.003  -4.357
   49    HG   LEU   6           HG       LEU   6   0.030  -1.808  -5.656
   50   HD11  LEU   6          1HD1      LEU   6   1.774  -0.659  -7.807
   51   HD12  LEU   6          2HD1      LEU   6   0.091  -0.167  -7.618
   52   HD13  LEU   6          3HD1      LEU   6   0.485  -1.855  -7.945
   53   HD21  LEU   6          3HD2      LEU   6   2.022  -3.042  -5.996
   54   HD22  LEU   6          1HD2      LEU   6   2.279  -2.070  -4.547
   55   HD23  LEU   6          2HD2      LEU   6   3.001  -1.577  -6.079
   56    H    VAL   7           H        VAL   7  -2.450  -0.936  -5.113
   57    HA   VAL   7           HA       VAL   7  -3.263   0.756  -7.387
   58    HB   VAL   7           HB       VAL   7  -3.761  -2.196  -6.981
   59   HG11  VAL   7          1HG1      VAL   7  -5.022  -0.223  -8.684
   60   HG12  VAL   7          2HG1      VAL   7  -4.293  -1.530  -9.619
   61   HG13  VAL   7          3HG1      VAL   7  -5.479  -1.896  -8.366
   62   HG21  VAL   7          3HG2      VAL   7  -2.374  -2.042  -9.270
   63   HG22  VAL   7          1HG2      VAL   7  -1.695  -0.652  -8.422
   64   HG23  VAL   7          2HG2      VAL   7  -1.612  -2.257  -7.695
   65    H    VAL   8           H        VAL   8  -4.639  -1.518  -5.005
   66    HA   VAL   8           HA       VAL   8  -7.290  -0.573  -5.263
   67    HB   VAL   8           HB       VAL   8  -6.069  -1.982  -2.887
   68   HG11  VAL   8          1HG1      VAL   8  -8.825  -2.591  -3.497
   69   HG12  VAL   8          2HG1      VAL   8  -8.104  -2.033  -1.987
   70   HG13  VAL   8          3HG1      VAL   8  -8.597  -0.866  -3.214
   71   HG21  VAL   8          3HG2      VAL   8  -7.449  -3.877  -4.279
   72   HG22  VAL   8          1HG2      VAL   8  -6.755  -2.909  -5.579
   73   HG23  VAL   8          2HG2      VAL   8  -5.704  -3.634  -4.363
   74    H    VAL   9           H        VAL   9  -4.964  -0.112  -2.593
   75    HA   VAL   9           HA       VAL   9  -6.555   1.979  -1.426
   76    HB   VAL   9           HB       VAL   9  -3.707   1.252  -0.740
   77   HG11  VAL   9          1HG1      VAL   9  -3.889   2.901   0.734
   78   HG12  VAL   9          2HG1      VAL   9  -5.560   3.197   0.250
   79   HG13  VAL   9          3HG1      VAL   9  -5.202   2.021   1.515
   80   HG21  VAL   9          3HG2      VAL   9  -6.257   0.105   0.394
   81   HG22  VAL   9          1HG2      VAL   9  -5.134  -0.741  -0.671
   82   HG23  VAL   9          2HG2      VAL   9  -4.620  -0.253   0.944
   83    H    GLY  10           H        GLY  10  -3.908   1.782  -3.660
   84    HA2  GLY  10           2HA      GLY  10  -2.885   4.403  -3.349
   85    HA3  GLY  10           3HA      GLY  10  -2.691   3.384  -4.768
   86    H    ALA  11           H        ALA  11  -5.757   3.229  -4.825
   87    HA   ALA  11           HA       ALA  11  -6.081   5.542  -6.548
   88    HB1  ALA  11           1HB      ALA  11  -6.901   3.044  -6.887
   89    HB2  ALA  11           2HB      ALA  11  -8.326   3.665  -6.052
   90    HB3  ALA  11           3HB      ALA  11  -7.786   4.417  -7.553
   91    H    GLY  12           H        GLY  12  -7.328   4.312  -3.493
   92    HA2  GLY  12           2HA      GLY  12  -7.869   6.673  -2.269
   93    HA3  GLY  12           3HA      GLY  12  -9.306   6.398  -3.242
   94    H    GLY  13           H        GLY  13  -8.895   3.420  -2.871
   95    HA2  GLY  13           2HA      GLY  13  -8.938   2.009  -0.835
   96    HA3  GLY  13           3HA      GLY  13  -9.897   3.280  -0.093
   97    H    VAL  14           H        VAL  14  -9.898   0.596  -2.305
   98    HA   VAL  14           HA       VAL  14 -12.714   0.918  -2.944
   99    HB   VAL  14           HB       VAL  14 -10.840  -1.335  -3.677
  100   HG11  VAL  14          1HG1      VAL  14 -13.679  -0.732  -4.274
  101   HG12  VAL  14          2HG1      VAL  14 -12.694  -1.381  -5.586
  102   HG13  VAL  14          3HG1      VAL  14 -12.865  -2.284  -4.081
  103   HG21  VAL  14          3HG2      VAL  14 -10.948   1.347  -4.620
  104   HG22  VAL  14          1HG2      VAL  14  -9.934   0.019  -5.185
  105   HG23  VAL  14          2HG2      VAL  14 -11.523   0.282  -5.903
  106    H    GLY  15           H        GLY  15 -10.648  -1.122  -0.955
  107    HA2  GLY  15           2HA      GLY  15 -11.588  -1.956   1.133
  108    HA3  GLY  15           3HA      GLY  15 -13.091  -2.241   0.268
  109    H    LYS  16           H        LYS  16 -10.181  -3.031  -1.376
  110    HA   LYS  16           HA       LYS  16 -10.887  -5.848  -1.280
  111    HB2  LYS  16           2HB      LYS  16  -8.681  -4.466  -2.817
  112    HB3  LYS  16           3HB      LYS  16  -9.225  -6.123  -3.044
  113    HG2  LYS  16           2HG      LYS  16 -10.812  -3.623  -3.585
  114    HG3  LYS  16           3HG      LYS  16 -10.119  -4.719  -4.783
  115    HD2  LYS  16           2HD      LYS  16 -12.250  -5.431  -2.766
  116    HD3  LYS  16           3HD      LYS  16 -12.522  -5.106  -4.480
  117    HE2  LYS  16           2HE      LYS  16 -10.794  -7.319  -3.376
  118    HE3  LYS  16           3HE      LYS  16 -12.442  -7.517  -3.969
  119    HZ1  LYS  16           3HZ      LYS  16  -9.989  -7.317  -5.438
  120    HZ2  LYS  16           1HZ      LYS  16 -11.174  -6.256  -6.012
  121    HZ3  LYS  16           2HZ      LYS  16 -11.494  -7.914  -5.928
  122    H    SER  17           H        SER  17  -7.990  -3.867  -0.665
  123    HA   SER  17           HA       SER  17  -6.299  -5.842   0.260
  124    HB2  SER  17           2HB      SER  17  -5.223  -3.813   0.033
  125    HB3  SER  17           3HB      SER  17  -6.539  -2.910   0.784
  126    HG   SER  17           HG       SER  17  -5.208  -2.942   2.429
  127    H    HIS  18           H        HIS  18  -8.984  -4.309   1.870
  128    HA   HIS  18           HA       HIS  18  -8.455  -4.887   4.526
  129    HB2  HIS  18           2HB      HIS  18 -11.021  -4.706   2.967
  130    HB3  HIS  18           3HB      HIS  18 -11.031  -5.095   4.685
  131    HD1  HIS  18           HD1      HIS  18  -9.506  -2.384   2.481
  132    HD2  HIS  18           HD2      HIS  18 -11.267  -2.885   6.210
  133    HE1  HIS  18           HE1      HIS  18  -9.614  -0.082   3.488
  134    H    VAL  19           H        VAL  19  -9.425  -7.008   1.944
  135    HA   VAL  19           HA       VAL  19 -10.225  -9.187   3.619
  136    HB   VAL  19           HB       VAL  19  -9.371  -9.320   0.726
  137   HG11  VAL  19          1HG1      VAL  19 -11.406 -11.137   1.205
  138   HG12  VAL  19          2HG1      VAL  19  -9.688 -11.504   1.040
  139   HG13  VAL  19          3HG1      VAL  19 -10.386 -11.246   2.640
  140   HG21  VAL  19          3HG2      VAL  19 -11.914  -9.227   0.364
  141   HG22  VAL  19          1HG2      VAL  19 -11.977  -8.524   1.981
  142   HG23  VAL  19          2HG2      VAL  19 -11.070  -7.716   0.702
  143    H    TRP  20           H        TRP  20  -7.339  -8.535   1.637
  144    HA   TRP  20           HA       TRP  20  -5.958 -10.857   2.578
  145    HB2  TRP  20           2HB      TRP  20  -4.954  -8.420   1.092
  146    HB3  TRP  20           3HB      TRP  20  -4.006  -9.874   1.393
  147    HD1  TRP  20           HD1      TRP  20  -6.925  -8.588  -0.723
  148    HE1  TRP  20           HE1      TRP  20  -7.342 -10.250  -2.644
  149    HE3  TRP  20           HE3      TRP  20  -3.741 -12.317   0.725
  150    HZ2  TRP  20           HZ2      TRP  20  -6.440 -12.804  -3.440
  151    HZ3  TRP  20           HZ3      TRP  20  -3.578 -14.336  -0.672
  152    HH2  TRP  20           HH2      TRP  20  -4.901 -14.573  -2.710
  Start of MODEL   22
    1    H1   MET   1           H        MET   1   1.476   0.439   1.341
    2    HA   MET   1           HA       MET   1   1.358   0.094  -1.583
    3    HB2  MET   1           2HB      MET   1   1.718   2.452  -0.771
    4    HB3  MET   1           3HB      MET   1   3.246   1.915  -0.087
    5    HG2  MET   1           2HG      MET   1   3.767   1.095  -2.474
    6    HG3  MET   1           3HG      MET   1   2.449   2.161  -2.956
    7    HE1  MET   1           3HE      MET   1   3.585   5.623  -2.491
    8    HE2  MET   1           1HE      MET   1   3.444   4.669  -3.969
    9    HE3  MET   1           2HE      MET   1   2.269   4.461  -2.670
   10    H    THR   2           H        THR   2   1.794  -2.168  -0.320
   11    HA   THR   2           HA       THR   2   4.717  -2.558  -0.384
   12    HB   THR   2           HB       THR   2   3.681  -2.953   1.854
   13    HG1  THR   2           HG1      THR   2   5.240  -4.359   2.057
   14   HG21  THR   2          3HG2      THR   2   2.324  -4.968   2.178
   15   HG22  THR   2          1HG2      THR   2   2.321  -5.249   0.438
   16   HG23  THR   2          2HG2      THR   2   1.521  -3.825   1.102
   17    H    GLU   3           H        GLU   3   1.597  -3.676  -1.468
   18    HA   GLU   3           HA       GLU   3   2.870  -5.214  -3.567
   19    HB2  GLU   3           2HB      GLU   3   2.751  -6.963  -1.976
   20    HB3  GLU   3           3HB      GLU   3   1.149  -6.476  -1.443
   21    HG2  GLU   3           2HG      GLU   3   1.022  -8.494  -2.759
   22    HG3  GLU   3           3HG      GLU   3   0.224  -7.166  -3.599
   23    H    TYR   4           H        TYR   4  -0.374  -5.040  -2.093
   24    HA   TYR   4           HA       TYR   4  -1.432  -4.303  -4.738
   25    HB2  TYR   4           2HB      TYR   4  -3.658  -5.015  -3.599
   26    HB3  TYR   4           3HB      TYR   4  -2.534  -6.262  -4.127
   27    HD1  TYR   4           HD2      TYR   4  -3.285  -4.207  -1.096
   28    HD2  TYR   4           HD1      TYR   4  -2.036  -7.965  -2.651
   29    HE1  TYR   4           HE2      TYR   4  -3.250  -5.132   1.183
   30    HE2  TYR   4           HE1      TYR   4  -1.999  -8.901  -0.377
   31    HH   TYR   4           HH       TYR   4  -2.293  -6.923   2.429
   32    H    LYS   5           H        LYS   5  -1.014  -3.245  -1.496
   33    HA   LYS   5           HA       LYS   5  -3.096  -1.337  -1.353
   34    HB2  LYS   5           2HB      LYS   5  -0.465  -1.627   0.083
   35    HB3  LYS   5           3HB      LYS   5  -1.548  -0.277   0.400
   36    HG2  LYS   5           2HG      LYS   5  -3.079  -1.573   1.470
   37    HG3  LYS   5           3HG      LYS   5  -2.691  -3.010   0.521
   38    HD2  LYS   5           2HD      LYS   5  -1.829  -3.563   2.591
   39    HD3  LYS   5           3HD      LYS   5  -0.412  -2.888   1.782
   40    HE2  LYS   5           2HE      LYS   5  -0.474  -0.939   3.018
   41    HE3  LYS   5           3HE      LYS   5  -2.193  -1.097   3.376
   42    HZ1  LYS   5           3HZ      LYS   5  -1.000  -3.294   4.522
   43    HZ2  LYS   5           1HZ      LYS   5  -1.587  -1.925   5.325
   44    HZ3  LYS   5           2HZ      LYS   5   0.041  -2.008   4.875
   45    H    LEU   6           H        LEU   6  -0.259  -1.424  -3.190
   46    HA   LEU   6           HA       LEU   6   0.091   1.447  -3.349
   47    HB2  LEU   6           2HB      LEU   6   1.852   0.928  -4.960
   48    HB3  LEU   6           3HB      LEU   6   2.043   0.021  -3.461
   49    HG   LEU   6           HG       LEU   6   0.637  -1.724  -5.056
   50   HD11  LEU   6          1HD1      LEU   6   1.573  -1.758  -7.211
   51   HD12  LEU   6          2HD1      LEU   6   2.787  -0.549  -6.794
   52   HD13  LEU   6          3HD1      LEU   6   1.093  -0.082  -6.939
   53   HD21  LEU   6          3HD2      LEU   6   2.563  -2.171  -3.556
   54   HD22  LEU   6          1HD2      LEU   6   3.636  -1.539  -4.805
   55   HD23  LEU   6          2HD2      LEU   6   2.680  -2.989  -5.115
   56    H    VAL   7           H        VAL   7  -1.795  -0.933  -4.879
   57    HA   VAL   7           HA       VAL   7  -2.324   0.866  -7.153
   58    HB   VAL   7           HB       VAL   7  -2.764  -2.118  -6.980
   59   HG11  VAL   7          1HG1      VAL   7  -3.109  -1.712  -9.530
   60   HG12  VAL   7          2HG1      VAL   7  -4.441  -1.426  -8.408
   61   HG13  VAL   7          3HG1      VAL   7  -3.499  -0.068  -9.025
   62   HG21  VAL   7          3HG2      VAL   7  -0.579  -0.426  -8.038
   63   HG22  VAL   7          1HG2      VAL   7  -0.530  -2.055  -7.363
   64   HG23  VAL   7          2HG2      VAL   7  -1.067  -1.805  -9.024
   65    H    VAL   8           H        VAL   8  -3.974  -1.603  -5.171
   66    HA   VAL   8           HA       VAL   8  -6.581  -0.681  -5.764
   67    HB   VAL   8           HB       VAL   8  -5.643  -2.307  -3.396
   68   HG11  VAL   8          1HG1      VAL   8  -7.726  -1.846  -2.674
   69   HG12  VAL   8          2HG1      VAL   8  -8.291  -1.370  -4.277
   70   HG13  VAL   8          3HG1      VAL   8  -8.192  -3.078  -3.845
   71   HG21  VAL   8          3HG2      VAL   8  -5.301  -3.941  -4.865
   72   HG22  VAL   8          1HG2      VAL   8  -7.023  -3.900  -5.246
   73   HG23  VAL   8          2HG2      VAL   8  -5.887  -2.934  -6.189
   74    H    VAL   9           H        VAL   9  -4.711  -0.418  -2.732
   75    HA   VAL   9           HA       VAL   9  -6.517   1.527  -1.643
   76    HB   VAL   9           HB       VAL   9  -3.758   0.836  -0.635
   77   HG11  VAL   9          1HG1      VAL   9  -4.603   1.583   1.510
   78   HG12  VAL   9          2HG1      VAL   9  -4.792   2.862   0.309
   79   HG13  VAL   9          3HG1      VAL   9  -6.187   1.900   0.802
   80   HG21  VAL   9          3HG2      VAL   9  -6.385  -0.480   0.054
   81   HG22  VAL   9          1HG2      VAL   9  -5.102  -1.198  -0.921
   82   HG23  VAL   9          2HG2      VAL   9  -4.818  -0.836   0.781
   83    H    GLY  10           H        GLY  10  -3.585   1.609  -3.496
   84    HA2  GLY  10           2HA      GLY  10  -2.666   4.184  -2.847
   85    HA3  GLY  10           3HA      GLY  10  -2.353   3.342  -4.358
   86    H    ALA  11           H        ALA  11  -5.415   3.194  -4.644
   87    HA   ALA  11           HA       ALA  11  -5.637   5.741  -6.045
   88    HB1  ALA  11           1HB      ALA  11  -6.798   3.078  -6.342
   89    HB2  ALA  11           2HB      ALA  11  -7.956   4.389  -6.573
   90    HB3  ALA  11           3HB      ALA  11  -6.490   4.325  -7.551
   91    H    GLY  12           H        GLY  12  -6.975   4.054  -3.300
   92    HA2  GLY  12           2HA      GLY  12  -7.882   6.232  -1.925
   93    HA3  GLY  12           3HA      GLY  12  -9.227   5.809  -2.975
   94    H    GLY  13           H        GLY  13  -8.466   2.919  -2.821
   95    HA2  GLY  13           2HA      GLY  13  -8.460   1.207  -1.144
   96    HA3  GLY  13           3HA      GLY  13  -9.154   2.361  -0.015
   97    H    VAL  14           H        VAL  14  -9.833   0.389  -2.860
   98    HA   VAL  14           HA       VAL  14 -12.584   0.894  -3.046
   99    HB   VAL  14           HB       VAL  14 -11.226  -1.715  -3.726
  100   HG11  VAL  14          1HG1      VAL  14 -13.113  -2.313  -4.768
  101   HG12  VAL  14          2HG1      VAL  14 -13.883  -1.051  -3.803
  102   HG13  VAL  14          3HG1      VAL  14 -13.354  -0.705  -5.450
  103   HG21  VAL  14          3HG2      VAL  14 -11.386   0.861  -5.278
  104   HG22  VAL  14          1HG2      VAL  14  -9.940  -0.019  -4.784
  105   HG23  VAL  14          2HG2      VAL  14 -11.005  -0.694  -6.017
  106    H    GLY  15           H        GLY  15 -10.768  -1.467  -1.141
  107    HA2  GLY  15           2HA      GLY  15 -11.583  -2.122   1.030
  108    HA3  GLY  15           3HA      GLY  15 -13.222  -1.951   0.418
  109    H    LYS  16           H        LYS  16 -10.970  -3.476  -1.670
  110    HA   LYS  16           HA       LYS  16 -12.217  -6.075  -1.075
  111    HB2  LYS  16           2HB      LYS  16 -10.821  -5.314  -3.637
  112    HB3  LYS  16           3HB      LYS  16 -11.883  -6.687  -3.355
  113    HG2  LYS  16           2HG      LYS  16 -12.766  -3.811  -3.254
  114    HG3  LYS  16           3HG      LYS  16 -12.920  -4.858  -4.667
  115    HD2  LYS  16           2HD      LYS  16 -14.792  -5.748  -3.859
  116    HD3  LYS  16           3HD      LYS  16 -13.982  -6.180  -2.351
  117    HE2  LYS  16           2HE      LYS  16 -15.510  -4.752  -1.484
  118    HE3  LYS  16           3HE      LYS  16 -14.295  -3.557  -1.934
  119    HZ1  LYS  16           3HZ      LYS  16 -16.898  -4.098  -3.125
  120    HZ2  LYS  16           1HZ      LYS  16 -15.651  -3.685  -4.192
  121    HZ3  LYS  16           2HZ      LYS  16 -16.076  -2.632  -2.938
  122    H    SER  17           H        SER  17  -9.141  -4.569  -2.017
  123    HA   SER  17           HA       SER  17  -7.567  -6.893  -1.765
  124    HB2  SER  17           2HB      SER  17  -7.089  -4.428  -2.737
  125    HB3  SER  17           3HB      SER  17  -6.303  -4.273  -1.166
  126    HG   SER  17           HG       SER  17  -5.709  -6.017  -3.292
  127    H    HIS  18           H        HIS  18  -8.852  -4.689   0.562
  128    HA   HIS  18           HA       HIS  18  -7.080  -4.958   2.680
  129    HB2  HIS  18           2HB      HIS  18 -10.061  -4.556   2.584
  130    HB3  HIS  18           3HB      HIS  18  -9.198  -4.647   4.116
  131    HD1  HIS  18           HD1      HIS  18  -9.299  -2.557   0.960
  132    HD2  HIS  18           HD2      HIS  18  -8.011  -2.316   4.903
  133    HE1  HIS  18           HE1      HIS  18  -8.593  -0.166   1.292
  134    H    VAL  19           H        VAL  19  -9.348  -7.234   1.378
  135    HA   VAL  19           HA       VAL  19  -9.801  -8.946   3.492
  136    HB   VAL  19           HB       VAL  19  -9.307  -9.718   0.612
  137   HG11  VAL  19          1HG1      VAL  19  -9.321 -11.788   1.503
  138   HG12  VAL  19          2HG1      VAL  19 -10.092 -11.254   2.998
  139   HG13  VAL  19          3HG1      VAL  19 -11.066 -11.536   1.554
  140   HG21  VAL  19          3HG2      VAL  19 -11.280  -8.089   1.618
  141   HG22  VAL  19          1HG2      VAL  19 -11.364  -9.002   0.111
  142   HG23  VAL  19          2HG2      VAL  19 -12.053  -9.674   1.589
  143    H    TRP  20           H        TRP  20  -6.896  -8.495   1.616
  144    HA   TRP  20           HA       TRP  20  -5.623 -10.804   2.883
  145    HB2  TRP  20           2HB      TRP  20  -4.408  -8.939   0.842
  146    HB3  TRP  20           3HB      TRP  20  -3.860 -10.552   1.289
  147    HD1  TRP  20           HD1      TRP  20  -6.441  -8.753  -0.860
  148    HE1  TRP  20           HE1      TRP  20  -7.542 -10.459  -2.441
  149    HE3  TRP  20           HE3      TRP  20  -4.479 -13.052   1.092
  150    HZ2  TRP  20           HZ2      TRP  20  -7.575 -13.257  -2.812
  151    HZ3  TRP  20           HZ3      TRP  20  -5.096 -15.201   0.066
  152    HH2  TRP  20           HH2      TRP  20  -6.612 -15.300  -1.845
  Start of MODEL   23
    1    H1   MET   1           H        MET   1   0.767   0.712  -0.941
    2    HA   MET   1           HA       MET   1   3.160   0.671  -2.309
    3    HB2  MET   1           2HB      MET   1   2.206   2.224  -0.374
    4    HB3  MET   1           3HB      MET   1   3.246   1.213   0.620
    5    HG2  MET   1           2HG      MET   1   5.143   1.791  -0.866
    6    HG3  MET   1           3HG      MET   1   4.077   2.899  -1.727
    7    HE1  MET   1           3HE      MET   1   6.407   2.314   1.203
    8    HE2  MET   1           1HE      MET   1   5.885   3.450   2.448
    9    HE3  MET   1           2HE      MET   1   4.905   2.030   2.083
   10    H    THR   2           H        THR   2   1.933  -1.882  -0.708
   11    HA   THR   2           HA       THR   2   4.592  -2.942  -0.000
   12    HB   THR   2           HB       THR   2   3.024  -2.751   1.926
   13    HG1  THR   2           HG1      THR   2   3.455  -5.490   1.335
   14   HG21  THR   2          3HG2      THR   2   1.429  -4.793   0.373
   15   HG22  THR   2          1HG2      THR   2   0.920  -3.155   0.779
   16   HG23  THR   2          2HG2      THR   2   1.145  -4.350   2.056
   17    H    GLU   3           H        GLU   3   1.724  -3.367  -1.878
   18    HA   GLU   3           HA       GLU   3   2.891  -5.237  -3.609
   19    HB2  GLU   3           2HB      GLU   3   2.709  -6.904  -1.938
   20    HB3  GLU   3           3HB      GLU   3   1.097  -6.375  -1.476
   21    HG2  GLU   3           2HG      GLU   3   0.189  -7.196  -3.558
   22    HG3  GLU   3           3HG      GLU   3   1.801  -7.643  -4.112
   23    H    TYR   4           H        TYR   4  -0.384  -4.928  -2.227
   24    HA   TYR   4           HA       TYR   4  -1.356  -4.284  -4.931
   25    HB2  TYR   4           2HB      TYR   4  -3.619  -4.979  -3.856
   26    HB3  TYR   4           3HB      TYR   4  -2.476  -6.232  -4.323
   27    HD1  TYR   4           HD2      TYR   4  -3.338  -4.127  -1.357
   28    HD2  TYR   4           HD1      TYR   4  -2.018  -7.906  -2.800
   29    HE1  TYR   4           HE2      TYR   4  -3.379  -5.012   0.938
   30    HE2  TYR   4           HE1      TYR   4  -2.057  -8.801  -0.510
   31    HH   TYR   4           HH       TYR   4  -2.407  -6.794   2.242
   32    H    LYS   5           H        LYS   5  -1.061  -3.166  -1.693
   33    HA   LYS   5           HA       LYS   5  -3.148  -1.297  -1.581
   34    HB2  LYS   5           2HB      LYS   5  -0.479  -1.507  -0.222
   35    HB3  LYS   5           3HB      LYS   5  -1.499  -0.096   0.032
   36    HG2  LYS   5           2HG      LYS   5  -2.961  -1.219   1.319
   37    HG3  LYS   5           3HG      LYS   5  -2.832  -2.698   0.363
   38    HD2  LYS   5           2HD      LYS   5  -1.083  -3.498   1.589
   39    HD3  LYS   5           3HD      LYS   5  -0.464  -1.887   1.958
   40    HE2  LYS   5           2HE      LYS   5  -2.955  -3.093   3.157
   41    HE3  LYS   5           3HE      LYS   5  -1.373  -3.074   3.935
   42    HZ1  LYS   5           3HZ      LYS   5  -2.541  -1.249   4.798
   43    HZ2  LYS   5           1HZ      LYS   5  -3.106  -0.766   3.278
   44    HZ3  LYS   5           2HZ      LYS   5  -1.471  -0.583   3.670
   45    H    LEU   6           H        LEU   6  -0.265  -1.320  -3.415
   46    HA   LEU   6           HA       LEU   6  -0.106   1.544  -3.750
   47    HB2  LEU   6           2HB      LEU   6   1.683   1.055  -5.324
   48    HB3  LEU   6           3HB      LEU   6   1.917   0.199  -3.802
   49    HG   LEU   6           HG       LEU   6   0.621  -1.677  -5.306
   50   HD11  LEU   6          1HD1      LEU   6   2.498  -0.206  -7.149
   51   HD12  LEU   6          2HD1      LEU   6   0.742  -0.247  -7.297
   52   HD13  LEU   6          3HD1      LEU   6   1.677  -1.730  -7.487
   53   HD21  LEU   6          3HD2      LEU   6   2.531  -2.146  -3.946
   54   HD22  LEU   6          1HD2      LEU   6   3.571  -1.160  -4.974
   55   HD23  LEU   6          2HD2      LEU   6   2.894  -2.667  -5.592
   56    H    VAL   7           H        VAL   7  -1.954  -0.949  -5.066
   57    HA   VAL   7           HA       VAL   7  -2.524   0.638  -7.484
   58    HB   VAL   7           HB       VAL   7  -3.089  -2.301  -7.083
   59   HG11  VAL   7          1HG1      VAL   7  -3.191  -0.533  -9.524
   60   HG12  VAL   7          2HG1      VAL   7  -3.407  -2.284  -9.529
   61   HG13  VAL   7          3HG1      VAL   7  -4.566  -1.253  -8.688
   62   HG21  VAL   7          3HG2      VAL   7  -0.805  -0.953  -8.519
   63   HG22  VAL   7          1HG2      VAL   7  -0.699  -1.974  -7.085
   64   HG23  VAL   7          2HG2      VAL   7  -1.189  -2.670  -8.629
   65    H    VAL   8           H        VAL   8  -4.121  -1.617  -5.225
   66    HA   VAL   8           HA       VAL   8  -6.747  -0.790  -5.868
   67    HB   VAL   8           HB       VAL   8  -5.770  -2.112  -3.332
   68   HG11  VAL   8          1HG1      VAL   8  -8.189  -2.991  -3.394
   69   HG12  VAL   8          2HG1      VAL   8  -7.912  -1.337  -2.844
   70   HG13  VAL   8          3HG1      VAL   8  -8.497  -1.637  -4.481
   71   HG21  VAL   8          3HG2      VAL   8  -5.247  -3.777  -4.748
   72   HG22  VAL   8          1HG2      VAL   8  -6.988  -4.053  -4.796
   73   HG23  VAL   8          2HG2      VAL   8  -6.211  -3.100  -6.060
   74    H    VAL   9           H        VAL   9  -4.824  -0.166  -2.924
   75    HA   VAL   9           HA       VAL   9  -6.630   1.893  -2.051
   76    HB   VAL   9           HB       VAL   9  -3.881   1.287  -0.962
   77   HG11  VAL   9          1HG1      VAL   9  -4.302   2.863   0.544
   78   HG12  VAL   9          2HG1      VAL   9  -5.766   3.279  -0.349
   79   HG13  VAL   9          3HG1      VAL   9  -5.837   2.105   0.965
   80   HG21  VAL   9          3HG2      VAL   9  -5.166  -0.763  -0.971
   81   HG22  VAL   9          1HG2      VAL   9  -5.043  -0.149   0.677
   82   HG23  VAL   9          2HG2      VAL   9  -6.540   0.060  -0.232
   83    H    GLY  10           H        GLY  10  -3.661   1.737  -3.856
   84    HA2  GLY  10           2HA      GLY  10  -2.741   4.366  -3.505
   85    HA3  GLY  10           3HA      GLY  10  -2.410   3.352  -4.901
   86    H    ALA  11           H        ALA  11  -5.468   3.184  -5.218
   87    HA   ALA  11           HA       ALA  11  -5.649   5.527  -6.936
   88    HB1  ALA  11           1HB      ALA  11  -7.989   4.203  -7.312
   89    HB2  ALA  11           2HB      ALA  11  -6.506   3.892  -8.215
   90    HB3  ALA  11           3HB      ALA  11  -6.921   2.886  -6.828
   91    H    GLY  12           H        GLY  12  -7.359   4.076  -4.191
   92    HA2  GLY  12           2HA      GLY  12  -8.198   6.627  -3.229
   93    HA3  GLY  12           3HA      GLY  12  -9.529   5.769  -3.991
   94    H    GLY  13           H        GLY  13  -8.980   3.160  -3.235
   95    HA2  GLY  13           2HA      GLY  13  -8.519   1.902  -1.194
   96    HA3  GLY  13           3HA      GLY  13  -9.066   3.304  -0.287
   97    H    VAL  14           H        VAL  14 -10.155   0.791  -2.532
   98    HA   VAL  14           HA       VAL  14 -12.932   1.271  -2.071
   99    HB   VAL  14           HB       VAL  14 -11.663  -1.245  -3.155
  100   HG11  VAL  14          1HG1      VAL  14 -13.831  -1.513  -4.296
  101   HG12  VAL  14          2HG1      VAL  14 -13.989  -1.526  -2.538
  102   HG13  VAL  14          3HG1      VAL  14 -14.431  -0.084  -3.454
  103   HG21  VAL  14          3HG2      VAL  14 -12.044   1.428  -4.346
  104   HG22  VAL  14          1HG2      VAL  14 -10.873   0.167  -4.733
  105   HG23  VAL  14          2HG2      VAL  14 -12.522   0.057  -5.348
  106    H    GLY  15           H        GLY  15 -10.673  -1.263  -0.985
  107    HA2  GLY  15           2HA      GLY  15 -10.759  -1.939   1.359
  108    HA3  GLY  15           3HA      GLY  15 -12.505  -1.759   1.277
  109    H    LYS  16           H        LYS  16 -10.947  -3.190  -1.433
  110    HA   LYS  16           HA       LYS  16 -12.188  -5.750  -0.768
  111    HB2  LYS  16           2HB      LYS  16 -10.874  -4.968  -3.370
  112    HB3  LYS  16           3HB      LYS  16 -11.988  -6.300  -3.088
  113    HG2  LYS  16           2HG      LYS  16 -12.639  -3.362  -2.993
  114    HG3  LYS  16           3HG      LYS  16 -13.120  -4.515  -4.240
  115    HD2  LYS  16           2HD      LYS  16 -13.942  -4.613  -1.337
  116    HD3  LYS  16           3HD      LYS  16 -14.951  -4.058  -2.675
  117    HE2  LYS  16           2HE      LYS  16 -14.617  -6.340  -3.706
  118    HE3  LYS  16           3HE      LYS  16 -13.900  -6.834  -2.173
  119    HZ1  LYS  16           3HZ      LYS  16 -16.277  -5.614  -1.517
  120    HZ2  LYS  16           1HZ      LYS  16 -15.947  -7.273  -1.490
  121    HZ3  LYS  16           2HZ      LYS  16 -16.640  -6.571  -2.864
  122    H    SER  17           H        SER  17  -9.066  -4.522  -1.966
  123    HA   SER  17           HA       SER  17  -7.674  -6.945  -1.827
  124    HB2  SER  17           2HB      SER  17  -7.045  -4.509  -2.763
  125    HB3  SER  17           3HB      SER  17  -6.177  -4.447  -1.229
  126    HG   SER  17           HG       SER  17  -5.639  -5.891  -3.494
  127    H    HIS  18           H        HIS  18  -8.685  -4.781   0.647
  128    HA   HIS  18           HA       HIS  18  -6.815  -5.212   2.649
  129    HB2  HIS  18           2HB      HIS  18  -9.773  -4.674   2.725
  130    HB3  HIS  18           3HB      HIS  18  -8.852  -4.894   4.210
  131    HD1  HIS  18           HD1      HIS  18  -7.614  -3.008   1.180
  132    HD2  HIS  18           HD2      HIS  18  -8.885  -2.287   5.069
  133    HE1  HIS  18           HE1      HIS  18  -7.119  -0.581   1.610
  134    H    VAL  19           H        VAL  19  -9.252  -7.337   1.394
  135    HA   VAL  19           HA       VAL  19  -9.652  -9.119   3.460
  136    HB   VAL  19           HB       VAL  19  -9.361  -9.788   0.527
  137   HG11  VAL  19          1HG1      VAL  19 -11.125 -11.580   1.464
  138   HG12  VAL  19          2HG1      VAL  19  -9.390 -11.886   1.370
  139   HG13  VAL  19          3HG1      VAL  19 -10.116 -11.380   2.896
  140   HG21  VAL  19          3HG2      VAL  19 -11.361  -8.869   0.187
  141   HG22  VAL  19          1HG2      VAL  19 -12.050  -9.717   1.571
  142   HG23  VAL  19          2HG2      VAL  19 -11.239  -8.169   1.801
  143    H    TRP  20           H        TRP  20  -6.848  -8.711   1.424
  144    HA   TRP  20           HA       TRP  20  -5.611 -11.178   2.280
  145    HB2  TRP  20           2HB      TRP  20  -4.470  -8.846   0.725
  146    HB3  TRP  20           3HB      TRP  20  -3.677 -10.399   0.966
  147    HD1  TRP  20           HD1      TRP  20  -6.500  -8.753  -1.013
  148    HE1  TRP  20           HE1      TRP  20  -7.217 -10.343  -2.906
  149    HE3  TRP  20           HE3      TRP  20  -3.781 -12.874   0.314
  150    HZ2  TRP  20           HZ2      TRP  20  -6.699 -12.994  -3.727
  151    HZ3  TRP  20           HZ3      TRP  20  -3.948 -14.896  -1.078
  152    HH2  TRP  20           HH2      TRP  20  -5.378 -14.953  -3.056
  Start of MODEL   24
    1    H1   MET   1           H        MET   1   0.780   0.614  -0.674
    2    HA   MET   1           HA       MET   1   3.191   0.643  -2.119
    3    HB2  MET   1           2HB      MET   1   2.335   2.310  -0.360
    4    HB3  MET   1           3HB      MET   1   2.999   1.201   0.832
    5    HG2  MET   1           2HG      MET   1   4.798   2.535   0.609
    6    HG3  MET   1           3HG      MET   1   5.138   1.444  -0.732
    7    HE1  MET   1           3HE      MET   1   3.544   4.462   0.531
    8    HE2  MET   1           1HE      MET   1   4.523   5.656  -0.323
    9    HE3  MET   1           2HE      MET   1   2.891   5.291  -0.883
   10    H    THR   2           H        THR   2   1.882  -1.892  -0.547
   11    HA   THR   2           HA       THR   2   4.503  -2.998   0.228
   12    HB   THR   2           HB       THR   2   2.872  -2.819   2.097
   13    HG1  THR   2           HG1      THR   2   3.188  -4.996   2.773
   14   HG21  THR   2          3HG2      THR   2   0.932  -3.413   0.416
   15   HG22  THR   2          1HG2      THR   2   0.823  -3.864   2.117
   16   HG23  THR   2          2HG2      THR   2   1.302  -5.063   0.916
   17    H    GLU   3           H        GLU   3   1.706  -3.367  -1.766
   18    HA   GLU   3           HA       GLU   3   2.916  -5.217  -3.483
   19    HB2  GLU   3           2HB      GLU   3   2.677  -6.910  -1.846
   20    HB3  GLU   3           3HB      GLU   3   1.054  -6.383  -1.424
   21    HG2  GLU   3           2HG      GLU   3   0.144  -7.254  -3.417
   22    HG3  GLU   3           3HG      GLU   3   1.740  -7.491  -4.127
   23    H    TYR   4           H        TYR   4  -0.398  -4.907  -2.196
   24    HA   TYR   4           HA       TYR   4  -1.285  -4.228  -4.920
   25    HB2  TYR   4           2HB      TYR   4  -3.584  -4.920  -3.919
   26    HB3  TYR   4           3HB      TYR   4  -2.435  -6.175  -4.368
   27    HD1  TYR   4           HD2      TYR   4  -3.372  -4.099  -1.404
   28    HD2  TYR   4           HD1      TYR   4  -2.032  -7.868  -2.851
   29    HE1  TYR   4           HE2      TYR   4  -3.486  -5.008   0.878
   30    HE2  TYR   4           HE1      TYR   4  -2.143  -8.789  -0.573
   31    HH   TYR   4           HH       TYR   4  -2.400  -8.294   1.603
   32    H    LYS   5           H        LYS   5  -1.079  -3.147  -1.663
   33    HA   LYS   5           HA       LYS   5  -3.157  -1.260  -1.605
   34    HB2  LYS   5           2HB      LYS   5  -0.551  -1.525  -0.138
   35    HB3  LYS   5           3HB      LYS   5  -1.560  -0.103   0.092
   36    HG2  LYS   5           2HG      LYS   5  -3.116  -1.228   1.275
   37    HG3  LYS   5           3HG      LYS   5  -2.916  -2.710   0.337
   38    HD2  LYS   5           2HD      LYS   5  -1.246  -3.492   1.674
   39    HD3  LYS   5           3HD      LYS   5  -0.649  -1.876   2.058
   40    HE2  LYS   5           2HE      LYS   5  -2.804  -1.595   3.402
   41    HE3  LYS   5           3HE      LYS   5  -2.990  -3.341   3.241
   42    HZ1  LYS   5           3HZ      LYS   5  -1.464  -3.695   4.799
   43    HZ2  LYS   5           1HZ      LYS   5  -1.566  -2.048   5.173
   44    HZ3  LYS   5           2HZ      LYS   5  -0.370  -2.602   4.114
   45    H    LEU   6           H        LEU   6  -0.228  -1.301  -3.347
   46    HA   LEU   6           HA       LEU   6   0.027   1.560  -3.608
   47    HB2  LEU   6           2HB      LEU   6   1.806   1.042  -5.197
   48    HB3  LEU   6           3HB      LEU   6   2.007   0.169  -3.679
   49    HG   LEU   6           HG       LEU   6   0.655  -1.648  -5.222
   50   HD11  LEU   6          1HD1      LEU   6   1.026  -0.024  -7.146
   51   HD12  LEU   6          2HD1      LEU   6   1.533  -1.695  -7.395
   52   HD13  LEU   6          3HD1      LEU   6   2.733  -0.455  -7.030
   53   HD21  LEU   6          3HD2      LEU   6   2.432  -2.378  -3.912
   54   HD22  LEU   6          1HD2      LEU   6   3.555  -1.211  -4.611
   55   HD23  LEU   6          2HD2      LEU   6   3.025  -2.601  -5.559
   56    H    VAL   7           H        VAL   7  -1.830  -0.873  -5.070
   57    HA   VAL   7           HA       VAL   7  -2.360   0.842  -7.408
   58    HB   VAL   7           HB       VAL   7  -2.807  -2.132  -7.122
   59   HG11  VAL   7          1HG1      VAL   7  -2.959  -1.417  -9.803
   60   HG12  VAL   7          2HG1      VAL   7  -4.302  -1.877  -8.753
   61   HG13  VAL   7          3HG1      VAL   7  -3.884  -0.175  -8.959
   62   HG21  VAL   7          3HG2      VAL   7  -0.561  -2.065  -7.482
   63   HG22  VAL   7          1HG2      VAL   7  -1.102  -1.932  -9.155
   64   HG23  VAL   7          2HG2      VAL   7  -0.622  -0.486  -8.266
   65    H    VAL   8           H        VAL   8  -4.000  -1.521  -5.294
   66    HA   VAL   8           HA       VAL   8  -6.615  -0.701  -5.939
   67    HB   VAL   8           HB       VAL   8  -5.631  -2.051  -3.421
   68   HG11  VAL   8          1HG1      VAL   8  -8.086  -2.917  -3.527
   69   HG12  VAL   8          2HG1      VAL   8  -7.744  -1.329  -2.836
   70   HG13  VAL   8          3HG1      VAL   8  -8.359  -1.461  -4.484
   71   HG21  VAL   8          3HG2      VAL   8  -6.111  -2.987  -6.155
   72   HG22  VAL   8          1HG2      VAL   8  -5.157  -3.707  -4.858
   73   HG23  VAL   8          2HG2      VAL   8  -6.903  -3.950  -4.909
   74    H    VAL   9           H        VAL   9  -4.682  -0.025  -3.016
   75    HA   VAL   9           HA       VAL   9  -6.547   2.018  -2.171
   76    HB   VAL   9           HB       VAL   9  -3.860   1.368  -0.959
   77   HG11  VAL   9          1HG1      VAL   9  -4.758   3.477  -0.213
   78   HG12  VAL   9          2HG1      VAL   9  -6.320   2.731   0.130
   79   HG13  VAL   9          3HG1      VAL   9  -4.903   2.293   1.086
   80   HG21  VAL   9          3HG2      VAL   9  -6.560   0.123  -0.474
   81   HG22  VAL   9          1HG2      VAL   9  -5.072  -0.679  -0.980
   82   HG23  VAL   9          2HG2      VAL   9  -5.207  -0.018   0.649
   83    H    GLY  10           H        GLY  10  -3.507   1.828  -3.846
   84    HA2  GLY  10           2HA      GLY  10  -2.599   4.466  -3.432
   85    HA3  GLY  10           3HA      GLY  10  -2.155   3.431  -4.781
   86    H    ALA  11           H        ALA  11  -5.175   3.244  -5.341
   87    HA   ALA  11           HA       ALA  11  -5.232   5.587  -7.076
   88    HB1  ALA  11           1HB      ALA  11  -7.429   4.291  -7.812
   89    HB2  ALA  11           2HB      ALA  11  -5.827   3.827  -8.387
   90    HB3  ALA  11           3HB      ALA  11  -6.576   2.945  -7.057
   91    H    GLY  12           H        GLY  12  -7.185   4.054  -4.544
   92    HA2  GLY  12           2HA      GLY  12  -8.274   6.637  -3.815
   93    HA3  GLY  12           3HA      GLY  12  -9.452   5.507  -4.466
   94    H    GLY  13           H        GLY  13  -9.287   3.240  -3.402
   95    HA2  GLY  13           2HA      GLY  13  -8.500   2.219  -1.225
   96    HA3  GLY  13           3HA      GLY  13  -9.126   3.686  -0.487
   97    H    VAL  14           H        VAL  14 -10.162   1.011  -2.595
   98    HA   VAL  14           HA       VAL  14 -12.927   1.343  -1.987
   99    HB   VAL  14           HB       VAL  14 -11.534  -1.086  -3.122
  100   HG11  VAL  14          1HG1      VAL  14 -13.850  -1.416  -4.147
  101   HG12  VAL  14          2HG1      VAL  14 -13.666  -1.775  -2.429
  102   HG13  VAL  14          3HG1      VAL  14 -14.416  -0.262  -2.940
  103   HG21  VAL  14          3HG2      VAL  14 -12.803   0.149  -5.204
  104   HG22  VAL  14          1HG2      VAL  14 -12.203   1.520  -4.270
  105   HG23  VAL  14          2HG2      VAL  14 -11.082   0.283  -4.840
  106    H    GLY  15           H        GLY  15 -10.630  -1.258  -1.127
  107    HA2  GLY  15           2HA      GLY  15 -10.461  -1.911   1.229
  108    HA3  GLY  15           3HA      GLY  15 -12.195  -1.650   1.348
  109    H    LYS  16           H        LYS  16 -10.690  -3.239  -1.382
  110    HA   LYS  16           HA       LYS  16 -12.144  -5.686  -0.679
  111    HB2  LYS  16           2HB      LYS  16 -10.823  -5.034  -3.313
  112    HB3  LYS  16           3HB      LYS  16 -12.009  -6.292  -2.991
  113    HG2  LYS  16           2HG      LYS  16 -12.495  -3.321  -2.914
  114    HG3  LYS  16           3HG      LYS  16 -13.030  -4.443  -4.167
  115    HD2  LYS  16           2HD      LYS  16 -13.868  -4.505  -1.268
  116    HD3  LYS  16           3HD      LYS  16 -14.841  -3.899  -2.609
  117    HE2  LYS  16           2HE      LYS  16 -14.730  -6.153  -3.639
  118    HE3  LYS  16           3HE      LYS  16 -13.875  -6.728  -2.209
  119    HZ1  LYS  16           3HZ      LYS  16 -16.601  -6.621  -2.578
  120    HZ2  LYS  16           1HZ      LYS  16 -16.262  -5.375  -1.485
  121    HZ3  LYS  16           2HZ      LYS  16 -15.785  -6.959  -1.135
  122    H    SER  17           H        SER  17  -8.966  -4.675  -1.930
  123    HA   SER  17           HA       SER  17  -7.728  -7.181  -1.767
  124    HB2  SER  17           2HB      SER  17  -6.961  -4.804  -2.753
  125    HB3  SER  17           3HB      SER  17  -6.067  -4.774  -1.233
  126    HG   SER  17           HG       SER  17  -5.902  -6.660  -3.334
  127    H    HIS  18           H        HIS  18  -8.616  -4.956   0.684
  128    HA   HIS  18           HA       HIS  18  -6.750  -5.404   2.676
  129    HB2  HIS  18           2HB      HIS  18  -9.716  -4.884   2.817
  130    HB3  HIS  18           3HB      HIS  18  -8.717  -5.004   4.262
  131    HD1  HIS  18           HD1      HIS  18  -7.565  -3.282   1.120
  132    HD2  HIS  18           HD2      HIS  18  -8.883  -2.331   4.944
  133    HE1  HIS  18           HE1      HIS  18  -7.137  -0.818   1.386
  134    H    VAL  19           H        VAL  19  -9.251  -7.499   1.480
  135    HA   VAL  19           HA       VAL  19  -9.630  -9.262   3.565
  136    HB   VAL  19           HB       VAL  19  -9.421  -9.950   0.630
  137   HG11  VAL  19          1HG1      VAL  19 -11.067 -11.786   1.419
  138   HG12  VAL  19          2HG1      VAL  19  -9.338 -12.010   1.694
  139   HG13  VAL  19          3HG1      VAL  19 -10.382 -11.483   3.015
  140   HG21  VAL  19          3HG2      VAL  19 -11.285  -8.353   2.024
  141   HG22  VAL  19          1HG2      VAL  19 -11.364  -8.912   0.353
  142   HG23  VAL  19          2HG2      VAL  19 -12.091  -9.874   1.640
  143    H    TRP  20           H        TRP  20  -6.870  -8.918   1.458
  144    HA   TRP  20           HA       TRP  20  -5.653 -11.384   2.388
  145    HB2  TRP  20           2HB      TRP  20  -4.483  -9.222   0.624
  146    HB3  TRP  20           3HB      TRP  20  -3.832 -10.840   0.871
  147    HD1  TRP  20           HD1      TRP  20  -6.591  -8.972  -0.991
  148    HE1  TRP  20           HE1      TRP  20  -7.607 -10.542  -2.759
  149    HE3  TRP  20           HE3      TRP  20  -4.260 -13.320   0.350
  150    HZ2  TRP  20           HZ2      TRP  20  -7.442 -13.264  -3.489
  151    HZ3  TRP  20           HZ3      TRP  20  -4.744 -15.362  -0.934
  152    HH2  TRP  20           HH2      TRP  20  -6.303 -15.333  -2.813
  Start of MODEL   25
    1    H1   MET   1           H        MET   1   0.969   0.599  -1.031
    2    HA   MET   1           HA       MET   1   3.178   0.553  -2.600
    3    HB2  MET   1           2HB      MET   1   2.631   1.916  -0.435
    4    HB3  MET   1           3HB      MET   1   3.567   0.663   0.369
    5    HG2  MET   1           2HG      MET   1   5.042   2.453  -0.073
    6    HG3  MET   1           3HG      MET   1   5.437   1.168  -1.213
    7    HE1  MET   1           3HE      MET   1   5.795   2.007  -3.988
    8    HE2  MET   1           1HE      MET   1   6.291   3.677  -3.713
    9    HE3  MET   1           2HE      MET   1   6.755   2.420  -2.567
   10    H    THR   2           H        THR   2   1.980  -2.126  -1.152
   11    HA   THR   2           HA       THR   2   4.619  -3.440  -1.074
   12    HB   THR   2           HB       THR   2   3.462  -3.345   1.143
   13    HG1  THR   2           HG1      THR   2   4.832  -5.019   1.067
   14   HG21  THR   2          3HG2      THR   2   1.477  -4.545   1.564
   15   HG22  THR   2          1HG2      THR   2   1.535  -5.352  -0.003
   16   HG23  THR   2          2HG2      THR   2   1.155  -3.632   0.090
   17    H    GLU   3           H        GLU   3   1.311  -3.569  -2.184
   18    HA   GLU   3           HA       GLU   3   1.971  -5.301  -4.335
   19    HB2  GLU   3           2HB      GLU   3   1.908  -7.098  -2.799
   20    HB3  GLU   3           3HB      GLU   3   0.487  -6.457  -1.986
   21    HG2  GLU   3           2HG      GLU   3  -0.890  -6.976  -3.899
   22    HG3  GLU   3           3HG      GLU   3   0.523  -7.520  -4.801
   23    H    TYR   4           H        TYR   4  -0.931  -4.792  -2.324
   24    HA   TYR   4           HA       TYR   4  -2.313  -3.824  -4.736
   25    HB2  TYR   4           2HB      TYR   4  -4.397  -4.349  -3.274
   26    HB3  TYR   4           3HB      TYR   4  -3.524  -5.682  -4.022
   27    HD1  TYR   4           HD2      TYR   4  -3.533  -3.719  -0.839
   28    HD2  TYR   4           HD1      TYR   4  -3.007  -7.506  -2.706
   29    HE1  TYR   4           HE2      TYR   4  -3.246  -4.762   1.370
   30    HE2  TYR   4           HE1      TYR   4  -2.720  -8.559  -0.502
   31    HH   TYR   4           HH       TYR   4  -1.912  -7.156   2.115
   32    H    LYS   5           H        LYS   5  -1.247  -2.991  -1.581
   33    HA   LYS   5           HA       LYS   5  -3.033  -0.924  -0.939
   34    HB2  LYS   5           2HB      LYS   5  -0.220  -1.583  -0.156
   35    HB3  LYS   5           3HB      LYS   5  -0.903  -0.033   0.317
   36    HG2  LYS   5           2HG      LYS   5  -2.314  -0.956   1.824
   37    HG3  LYS   5           3HG      LYS   5  -2.541  -2.428   0.876
   38    HD2  LYS   5           2HD      LYS   5  -1.336  -2.904   2.940
   39    HD3  LYS   5           3HD      LYS   5  -0.307  -3.191   1.535
   40    HE2  LYS   5           2HE      LYS   5   0.777  -1.039   1.870
   41    HE3  LYS   5           3HE      LYS   5  -0.287  -0.696   3.232
   42    HZ1  LYS   5           3HZ      LYS   5   1.906  -2.659   3.054
   43    HZ2  LYS   5           1HZ      LYS   5   0.668  -2.856   4.191
   44    HZ3  LYS   5           2HZ      LYS   5   1.637  -1.470   4.226
   45    H    LEU   6           H        LEU   6  -0.631  -1.122  -3.349
   46    HA   LEU   6           HA       LEU   6  -0.312   1.764  -3.576
   47    HB2  LEU   6           2HB      LEU   6   1.190   1.174  -5.473
   48    HB3  LEU   6           3HB      LEU   6   1.676   0.509  -3.915
   49    HG   LEU   6           HG       LEU   6   0.133  -1.490  -5.104
   50   HD11  LEU   6          1HD1      LEU   6   0.731  -1.725  -7.299
   51   HD12  LEU   6          2HD1      LEU   6   2.192  -0.755  -7.123
   52   HD13  LEU   6          3HD1      LEU   6   0.616   0.032  -7.192
   53   HD21  LEU   6          3HD2      LEU   6   1.877  -2.327  -3.939
   54   HD22  LEU   6          1HD2      LEU   6   2.957  -1.009  -4.395
   55   HD23  LEU   6          2HD2      LEU   6   2.652  -2.329  -5.524
   56    H    VAL   7           H        VAL   7  -2.261  -0.739  -4.844
   57    HA   VAL   7           HA       VAL   7  -3.099   0.956  -7.100
   58    HB   VAL   7           HB       VAL   7  -3.560  -2.000  -6.672
   59   HG11  VAL   7          1HG1      VAL   7  -4.451  -0.085  -8.796
   60   HG12  VAL   7          2HG1      VAL   7  -4.228  -1.798  -9.157
   61   HG13  VAL   7          3HG1      VAL   7  -5.388  -1.299  -7.926
   62   HG21  VAL   7          3HG2      VAL   7  -1.276  -1.700  -7.199
   63   HG22  VAL   7          1HG2      VAL   7  -2.063  -2.156  -8.710
   64   HG23  VAL   7          2HG2      VAL   7  -1.638  -0.471  -8.410
   65    H    VAL   8           H        VAL   8  -4.730  -1.557  -5.177
   66    HA   VAL   8           HA       VAL   8  -7.282  -0.458  -5.370
   67    HB   VAL   8           HB       VAL   8  -6.181  -2.189  -3.151
   68   HG11  VAL   8          1HG1      VAL   8  -8.938  -2.639  -3.648
   69   HG12  VAL   8          2HG1      VAL   8  -8.170  -2.036  -2.178
   70   HG13  VAL   8          3HG1      VAL   8  -8.700  -0.906  -3.425
   71   HG21  VAL   8          3HG2      VAL   8  -7.398  -3.984  -4.503
   72   HG22  VAL   8          1HG2      VAL   8  -7.396  -2.815  -5.824
   73   HG23  VAL   8          2HG2      VAL   8  -5.870  -3.382  -5.147
   74    H    VAL   9           H        VAL   9  -4.920  -0.172  -2.723
   75    HA   VAL   9           HA       VAL   9  -6.580   1.798  -1.380
   76    HB   VAL   9           HB       VAL   9  -3.813   0.884  -0.595
   77   HG11  VAL   9          1HG1      VAL   9  -4.634   2.965   0.445
   78   HG12  VAL   9          2HG1      VAL   9  -6.041   2.087   1.045
   79   HG13  VAL   9          3HG1      VAL   9  -4.426   1.661   1.612
   80   HG21  VAL   9          3HG2      VAL   9  -5.319  -1.043  -0.801
   81   HG22  VAL   9          1HG2      VAL   9  -4.887  -0.728   0.879
   82   HG23  VAL   9          2HG2      VAL   9  -6.473  -0.251   0.272
   83    H    GLY  10           H        GLY  10  -3.833   1.683  -3.486
   84    HA2  GLY  10           2HA      GLY  10  -2.807   4.279  -2.859
   85    HA3  GLY  10           3HA      GLY  10  -2.404   3.314  -4.271
   86    H    ALA  11           H        ALA  11  -5.428   3.156  -4.776
   87    HA   ALA  11           HA       ALA  11  -5.518   5.541  -6.431
   88    HB1  ALA  11           1HB      ALA  11  -7.259   4.511  -7.617
   89    HB2  ALA  11           2HB      ALA  11  -6.158   3.197  -7.202
   90    HB3  ALA  11           3HB      ALA  11  -7.644   3.426  -6.281
   91    H    GLY  12           H        GLY  12  -7.111   4.208  -3.606
   92    HA2  GLY  12           2HA      GLY  12  -7.937   6.613  -2.541
   93    HA3  GLY  12           3HA      GLY  12  -9.266   6.080  -3.561
   94    H    GLY  13           H        GLY  13  -9.165   3.334  -3.150
   95    HA2  GLY  13           2HA      GLY  13  -8.966   1.933  -1.031
   96    HA3  GLY  13           3HA      GLY  13  -9.946   3.200  -0.308
   97    H    VAL  14           H        VAL  14  -9.911   0.585  -2.653
   98    HA   VAL  14           HA       VAL  14 -12.723   0.788  -3.227
   99    HB   VAL  14           HB       VAL  14 -10.889  -1.537  -3.814
  100   HG11  VAL  14          1HG1      VAL  14 -13.359  -0.662  -5.293
  101   HG12  VAL  14          2HG1      VAL  14 -12.475  -2.182  -5.448
  102   HG13  VAL  14          3HG1      VAL  14 -13.393  -1.839  -3.981
  103   HG21  VAL  14          3HG2      VAL  14 -11.196   1.109  -5.132
  104   HG22  VAL  14          1HG2      VAL  14  -9.766   0.092  -4.950
  105   HG23  VAL  14          2HG2      VAL  14 -10.986  -0.310  -6.159
  106    H    GLY  15           H        GLY  15 -10.659  -1.232  -1.191
  107    HA2  GLY  15           2HA      GLY  15 -11.585  -1.973   0.942
  108    HA3  GLY  15           3HA      GLY  15 -13.109  -2.245   0.110
  109    H    LYS  16           H        LYS  16 -10.184  -3.152  -1.484
  110    HA   LYS  16           HA       LYS  16 -10.994  -5.935  -1.398
  111    HB2  LYS  16           2HB      LYS  16  -8.632  -4.672  -2.800
  112    HB3  LYS  16           3HB      LYS  16  -9.259  -6.293  -3.066
  113    HG2  LYS  16           2HG      LYS  16 -10.658  -3.701  -3.691
  114    HG3  LYS  16           3HG      LYS  16  -9.963  -4.838  -4.849
  115    HD2  LYS  16           2HD      LYS  16 -12.248  -5.420  -2.964
  116    HD3  LYS  16           3HD      LYS  16 -12.399  -5.076  -4.689
  117    HE2  LYS  16           2HE      LYS  16 -11.047  -7.062  -5.190
  118    HE3  LYS  16           3HE      LYS  16 -10.922  -7.406  -3.465
  119    HZ1  LYS  16           3HZ      LYS  16 -13.627  -7.069  -4.391
  120    HZ2  LYS  16           1HZ      LYS  16 -12.958  -8.285  -3.423
  121    HZ3  LYS  16           2HZ      LYS  16 -12.829  -8.377  -5.107
  122    H    SER  17           H        SER  17  -8.135  -4.016  -0.512
  123    HA   SER  17           HA       SER  17  -6.513  -6.027   0.459
  124    HB2  SER  17           2HB      SER  17  -5.546  -3.884   0.317
  125    HB3  SER  17           3HB      SER  17  -6.834  -3.144   1.266
  126    HG   SER  17           HG       SER  17  -5.713  -3.552   2.983
  127    H    HIS  18           H        HIS  18  -9.324  -4.564   1.916
  128    HA   HIS  18           HA       HIS  18  -9.001  -5.279   4.576
  129    HB2  HIS  18           2HB      HIS  18 -11.551  -5.218   2.950
  130    HB3  HIS  18           3HB      HIS  18 -11.475  -5.253   4.709
  131    HD1  HIS  18           HD1      HIS  18  -8.904  -3.139   4.456
  132    HD2  HIS  18           HD2      HIS  18 -12.847  -2.682   3.230
  133    HE1  HIS  18           HE1      HIS  18  -9.289  -0.657   4.340
  134    H    VAL  19           H        VAL  19  -9.780  -7.248   1.818
  135    HA   VAL  19           HA       VAL  19 -10.733  -9.499   3.314
  136    HB   VAL  19           HB       VAL  19  -9.685  -9.475   0.482
  137   HG11  VAL  19          1HG1      VAL  19 -11.054 -11.461   2.189
  138   HG12  VAL  19          2HG1      VAL  19 -11.604 -11.345   0.516
  139   HG13  VAL  19          3HG1      VAL  19  -9.910 -11.695   0.867
  140   HG21  VAL  19          3HG2      VAL  19 -11.434  -8.213  -0.059
  141   HG22  VAL  19          1HG2      VAL  19 -12.485  -9.526   0.472
  142   HG23  VAL  19          2HG2      VAL  19 -12.033  -8.248   1.599
  143    H    TRP  20           H        TRP  20  -7.704  -8.776   1.588
  144    HA   TRP  20           HA       TRP  20  -6.413 -11.171   2.447
  145    HB2  TRP  20           2HB      TRP  20  -5.287  -8.616   1.282
  146    HB3  TRP  20           3HB      TRP  20  -4.356 -10.088   1.547
  147    HD1  TRP  20           HD1      TRP  20  -7.168  -8.692  -0.667
  148    HE1  TRP  20           HE1      TRP  20  -7.353 -10.164  -2.771
  149    HE3  TRP  20           HE3      TRP  20  -3.882 -12.385   0.636
  150    HZ2  TRP  20           HZ2      TRP  20  -6.252 -12.572  -3.748
  151    HZ3  TRP  20           HZ3      TRP  20  -3.505 -14.238  -0.939
  152    HH2  TRP  20           HH2      TRP  20  -4.667 -14.328  -3.085