*HEADER    SIGNALING PROTEIN                       12-SEP-05   2AZV              
*TITLE     SOLUTION STRUCTURE OF THE T22G MUTANT OF N-TERMINAL SH3               
*TITLE    2 DOMAIN OF DRK (CALCULATED WITHOUT NOES)                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SH2-SH3 ADAPTER PROTEIN DRK;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL SH3 DOMAIN, RESIDUES 1-59;                      
*COMPND   5 SYNONYM: PROTEIN ENHANCER OF SEVENLESS 2B, DOWNSTREAM OF             
*COMPND   6 RECEPTOR KINASE, PROTEIN ESEV, 2B;                                   
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER;                        
*SOURCE   3 ORGANISM_COMMON: FRUIT FLY;                                          
*SOURCE   4 GENE: DRK, E SEV 2B;                                                 
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: HMS174;                                    
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET-11A                                   
*KEYWDS    BETA-BARREL                                                           
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    I.Y.BEZSONOVA, A.U.SINGER, W.-Y.CHOY, M.TOLLINGER,                    
*AUTHOR   2 J.D.FORMAN-KAY                                                       
*REVDAT   1   13-DEC-05 2AZV    0                                                

Model 1
ATOM   1080  X   ANI A 500       1.494 -68.621 -84.532  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   1081  Y   ANI A 500       2.661 -69.412 -84.503  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   1082  Z   ANI A 500       2.468 -68.293 -83.593  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   1083 OO   ANI A 500       2.473 -68.433 -84.584  1.00  0.00        500 ANI   OO    500 ANI   OO  
Model 2
ATOM   2163  X   ANI A 500      38.952 -96.030 -32.210  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   2164  Y   ANI A 500      37.750 -95.358 -32.205  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   2165  Z   ANI A 500      38.049 -96.166 -31.120  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   2166 OO   ANI A 500      38.000 -96.323 -32.107  1.00  0.00        500 ANI   OO    500 ANI   OO  
Model 3
ATOM   3246  X   ANI A 500      -5.662 -94.672 -51.882  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   3247  Y   ANI A 500      -4.970 -93.416 -52.054  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   3248  Z   ANI A 500      -4.692 -94.541 -52.929  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   3249 OO   ANI A 500      -4.704 -94.374 -51.936  1.00  0.00        500 ANI   OO    500 ANI   OO  
Model 4
ATOM   4329  X   ANI A 500     -55.310 -60.939 -70.248  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   4330  Y   ANI A 500     -56.547 -60.300 -70.233  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   4331  Z   ANI A 500     -56.154 -61.096 -69.132  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   4332 OO   ANI A 500     -56.245 -61.247 -70.114  1.00  0.00        500 ANI   OO    500 ANI   OO  
Model 5
ATOM   5412  X   ANI A 500     -67.224 -52.179 -68.964  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   5413  Y   ANI A 500     -66.485 -50.968 -69.141  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   5414  Z   ANI A 500     -66.273 -52.083 -70.004  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   5415 OO   ANI A 500     -66.255 -51.935 -69.017  1.00  0.00        500 ANI   OO    500 ANI   OO  
Model 6
ATOM   6495  X   ANI A 500      15.536 -62.346 -87.646  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   6496  Y   ANI A 500      16.721 -63.090 -87.646  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   6497  Z   ANI A 500      16.511 -61.993 -86.753  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   6498 OO   ANI A 500      16.498 -62.125 -87.715  1.00  0.00        500 ANI   OO    500 ANI   OO  
Model 7
ATOM   7578  X   ANI A 500      19.658 -95.089 -48.000  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   7579  Y   ANI A 500      18.990 -96.343 -47.828  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   7580  Z   ANI A 500      18.644 -95.582 -48.894  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   7581 OO   ANI A 500      18.711 -95.396 -47.916  1.00  0.00        500 ANI   OO    500 ANI   OO  
Model 8
ATOM   8661  X   ANI A 500     -16.147 -57.414 -90.277  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   8662  Y   ANI A 500     -17.313 -56.733 -90.427  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   8663  Z   ANI A 500     -17.117 -57.541 -89.279  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   8664 OO   ANI A 500     -17.106 -57.698 -90.268  1.00  0.00        500 ANI   OO    500 ANI   OO  
Model 9
ATOM   9744  X   ANI A 500      22.554 -85.522 -62.833  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   9745  Y   ANI A 500      21.755 -86.716 -62.584  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   9746  Z   ANI A 500      21.502 -85.899 -63.715  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   9747 OO   ANI A 500      21.588 -85.731 -62.736  1.00  0.00        500 ANI   OO    500 ANI   OO  
Model 10
ATOM  10827  X   ANI A 500      14.309 -75.446 -76.444  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM  10828  Y   ANI A 500      15.533 -76.223 -76.457  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM  10829  Z   ANI A 500      15.364 -75.112 -75.548  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM  10830 OO   ANI A 500      15.288 -75.252 -76.547  1.00  0.00        500 ANI   OO    500 ANI   OO  

# N-HN DIPOLAR COUPLING RESTRAINTS
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name N  )
       ( resid   2 and name HN  ) 17.56 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name N  )
       ( resid   3 and name HN  ) 14.69 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name N  )
       ( resid   4 and name HN  ) 11.98 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name N  )
       ( resid   5 and name HN  )  9.87 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name N  )
       ( resid   6 and name HN  ) -11.25 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name N  )
       ( resid   7 and name HN  ) -29.06 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name N  )
       ( resid   8 and name HN  ) -29.21 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name N  )
       ( resid   9 and name HN  )  5.79 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name N  )
       ( resid  10 and name HN  )  0.31 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name N  )
       ( resid  11 and name HN  )  8.32 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name N  )
       ( resid  12 and name HN  ) 11.81 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name N  )
       ( resid  13 and name HN  ) 17.03 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name N  )
       ( resid  14 and name HN  ) 14.18 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name N  )
       ( resid  15 and name HN  )  8.48 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name N  )
       ( resid  16 and name HN  ) 17.28 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name N  )
       ( resid  17 and name HN  ) 14.05 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name N  )
       ( resid  18 and name HN  )  4.30 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name N  )
       ( resid  19 and name HN  ) -2.42 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name N  )
       ( resid  20 and name HN  ) -1.95 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name N  )
       ( resid  21 and name HN  )  0.67 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name N  )
       ( resid  22 and name HN  )  7.17 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name N  )
       ( resid  23 and name HN  ) 11.61 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  24 and name N  )
       ( resid  24 and name HN  ) 10.37 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  25 and name N  )
       ( resid  25 and name HN  ) -1.47 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name N  )
       ( resid  26 and name HN  ) 20.37 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  27 and name N  )
       ( resid  27 and name HN  ) 18.74 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name N  )
       ( resid  29 and name HN  ) -14.88 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name N  )
       ( resid  31 and name HN  ) -5.27 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name N  )
       ( resid  32 and name HN  ) -3.63 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name N  )
       ( resid  33 and name HN  )  3.52 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name N  )
       ( resid  34 and name HN  )  4.88 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name N  )
       ( resid  35 and name HN  ) -3.15 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name N  )
       ( resid  36 and name HN  ) -14.76 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  37 and name N  )
       ( resid  37 and name HN  ) -18.40 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  39 and name N  )
       ( resid  39 and name HN  ) 19.05 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  41 and name N  )
       ( resid  41 and name HN  )  9.24 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  42 and name N  )
       ( resid  42 and name HN  ) 19.60 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  43 and name N  )
       ( resid  43 and name HN  ) 17.69 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name N  )
       ( resid  44 and name HN  ) -14.23 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name N  )
       ( resid  45 and name HN  )  6.49 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  46 and name N  )
       ( resid  46 and name HN  ) 20.44 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name N  )
       ( resid  47 and name HN  ) 19.92 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  48 and name N  )
       ( resid  48 and name HN  ) -2.59 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name N  )
       ( resid  50 and name HN  ) -4.41 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name N  )
       ( resid  51 and name HN  ) 13.27 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  53 and name N  )
       ( resid  53 and name HN  )  1.65 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  54 and name N  )
       ( resid  54 and name HN  )        10.21   0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name N  )
       ( resid  58 and name HN  )        -0.90   0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  59 and name N  )
       ( resid  59 and name HN  )  0.68 0.39

# N-CO DIPOLAR COUPLING RESTRAINTS
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name N  )
       ( resid   2 and name C  )  6.38 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name N  )
       ( resid   3 and name C  ) -19.26 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name N  )
       ( resid   4 and name C  ) 16.40 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name N  )
       ( resid   5 and name C  )  6.13 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name N  )
       ( resid   6 and name C  )  9.29 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name N  )
       ( resid   7 and name C  )  6.81 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name N  )
       ( resid   8 and name C  ) -13.99 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name N  )
       ( resid   9 and name C  ) 15.55 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name N  )
       ( resid  10 and name C  ) -22.61 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name N  )
       ( resid  11 and name C  )  1.90 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name N  )
       ( resid  12 and name C  ) -11.80 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name N  )
       ( resid  13 and name C  ) -14.12 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name N  )
       ( resid  14 and name C  ) 12.48 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name N  )
       ( resid  15 and name C  ) -28.89 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name N  )
       ( resid  16 and name C  ) 12.58 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name N  )
       ( resid  17 and name C  )  1.13 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name N  )
       ( resid  18 and name C  ) -18.12 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name N  )
       ( resid  19 and name C  )  4.57 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name N  )
       ( resid  20 and name C  ) -20.67 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name N  )
       ( resid  21 and name C  ) 11.57 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name N  )
       ( resid  22 and name C  )  4.56 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  24 and name N  )
       ( resid  23 and name C  ) -17.55 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name N  )
       ( resid  25 and name C  ) -21.32 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  27 and name N  )
       ( resid  26 and name C  ) 16.17 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name N  )
       ( resid  28 and name C  )  0.88 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name N  )
       ( resid  31 and name C  )  7.05 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name N  )
       ( resid  32 and name C  ) -10.18 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name N  )
       ( resid  33 and name C  )  4.18 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name N  )
       ( resid  34 and name C  ) 11.87 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name N  )
       ( resid  35 and name C  ) -20.75 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  37 and name N  )
       ( resid  36 and name C  )  8.38 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  39 and name N  )
       ( resid  38 and name C  ) 6.58 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  41 and name N  )
       ( resid  40 and name C  ) 12.94 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  42 and name N  )
       ( resid  41 and name C  ) 10.68 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name N  )
       ( resid  43 and name C  ) -9.22 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name N  )
       ( resid  44 and name C  ) -6.00 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  46 and name N  )
       ( resid  45 and name C  ) 7.01 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name N  )
       ( resid  46 and name C  )  7.67 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  48 and name N  )
       ( resid  47 and name C  ) 14.80 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name N  )
       ( resid  49 and name C  )  1.01 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name N  )
       ( resid  50 and name C  ) -5.82 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name N  )
       ( resid  51 and name C  )  7.58 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  53 and name N  )
       ( resid  52 and name C  ) -0.28 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  56 and name N  )
       ( resid  55 and name C  )  0.95 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  57 and name N  )
       ( resid  56 and name C  )  1.57 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name N  )
       ( resid  57 and name C  ) -4.44 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  59 and name N  )
       ( resid  58 and name C  )  2.97 0.13

# CO-CA DIPOLAR COUPLING RESTRAINTS
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   1 and name C  )
       ( resid   1 and name CA  ) -6.36 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name C  )
       ( resid   3 and name CA  ) -8.04 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name C  )
       ( resid   4 and name CA  )  2.52 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name C  )
       ( resid   5 and name CA  ) -18.83 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  6 and name C  )
       ( resid  6 and name CA  )         1.43   0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name C  )
       ( resid   7 and name CA  )  1.50 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name C  )
       ( resid   8 and name CA  ) -5.68 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name C  )
       ( resid   9 and name CA  ) 14.59 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name C  )
       ( resid  10 and name CA  ) -8.47 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name C  )
       ( resid  11 and name CA  ) 14.67 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name C  )
       ( resid  12 and name CA  ) -19.65 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name C  )
       ( resid  13 and name CA  )  2.12 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name C  )
       ( resid  14 and name CA  )  7.60 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name C  )
       ( resid  15 and name CA  ) 10.54 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name C  )
       ( resid  16 and name CA  )  1.57 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name C  )
       ( resid  17 and name CA  ) -29.20 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name C  )
       ( resid  18 and name CA  ) 12.98 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name C  )
       ( resid  19 and name CA  ) -26.50 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name C  )
       ( resid  20 and name CA  ) 22.06 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name C  )
       ( resid  21 and name CA  )  5.68 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name C  )
       ( resid  22 and name CA  ) -23.59 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name C  )
       ( resid  23 and name CA  ) -15.02 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name C  )
       ( resid  26 and name CA  )  1.54 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name C  )
       ( resid  29 and name CA  ) -15.26 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name C  )
       ( resid  31 and name CA  )  7.66 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name C  )
       ( resid  32 and name CA  ) -1.06 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name C  )
       ( resid  33 and name CA  ) -0.86 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name C  )
       ( resid  34 and name CA  ) -9.65 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name C  )
       ( resid  35 and name CA  ) 11.86 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name C  )
       ( resid  36 and name CA  ) -2.52 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  38 and name C  )
       ( resid  38 and name CA  )  8.18 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  41 and name C  )
       ( resid  41 and name CA  ) 17.13 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  43 and name C  )
       ( resid  43 and name CA  ) 12.61 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name C  )
       ( resid  44 and name CA  ) 14.00 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name C  )
       ( resid  45 and name CA  )  9.87 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  46 and name C  )
       ( resid  46 and name CA  ) 11.53 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name C  )
       ( resid  47 and name CA  ) -30.63 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  49 and name C  )
       ( resid  49 and name CA  ) 22.50 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name C  )
       ( resid  50 and name CA  ) -12.49 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name C  )
       ( resid  51 and name CA  ) -3.21 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name C  )
       ( resid  52 and name CA  )  7.04 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name C  )
       ( resid  58 and name CA  )  1.01 0.53

# CA-CB DIPOLAR COUPLING RESTAINTS
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   1 and name CA  )
       ( resid   1 and name CB  ) -6.66 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name CA  )
       ( resid   2 and name CB  )  3.88 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name CA  )
       ( resid   4 and name CB  ) -3.00 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name CA  )
       ( resid   5 and name CB  ) 20.33 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name CA  )
       ( resid   6 and name CB  ) 12.31 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name CA  )
       ( resid   9 and name CB  ) -11.52 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name CA  )
       ( resid  10 and name CB  ) -6.41 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name CA  )
       ( resid  11 and name CB  ) -12.66 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name CA  )
       ( resid  12 and name CB  )  1.87 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name CA  )
       ( resid  13 and name CB  )  2.53 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name CA  )
       ( resid  14 and name CB  ) -1.21 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name CA  )
       ( resid  15 and name CB  ) -8.26 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name CA  )
       ( resid  16 and name CB  ) -13.26 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name CA  )
       ( resid  17 and name CB  ) 10.83 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name CA  )
       ( resid  18 and name CB  )  9.74 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name CA  )
       ( resid  19 and name CB  )  5.90 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name CA  )
       ( resid  20 and name CB  )  2.59 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name CA  )
       ( resid  21 and name CB  ) -23.27 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name CA  )
       ( resid  23 and name CB  ) 13.47 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  25 and name CA  )
       ( resid  25 and name CB  )  6.96 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name CA  )
       ( resid  26 and name CB  ) -5.32 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  28 and name CA  )
       ( resid  28 and name CB  ) 14.58 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name CA  )
       ( resid  29 and name CB  ) -2.58 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name CA  )
       ( resid  31 and name CB  ) -5.56 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name CA  )
       ( resid  32 and name CB  )  4.34 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name CA  )
       ( resid  33 and name CB  ) 10.46 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name CA  )
       ( resid  35 and name CB  )  5.30 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name CA  )
       ( resid  36 and name CB  ) 12.29 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  38 and name CA  )
       ( resid  38 and name CB  ) -26.92 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  40 and name CA  )
       ( resid  40 and name CB  ) -11.35 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name CA  )
       ( resid  44 and name CB  ) -10.84 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name CA  )
       ( resid  45 and name CB  ) -25.70 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name CA  )
       ( resid  47 and name CB  )  9.87 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name CA  )
       ( resid  50 and name CB  ) -2.90 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name CA  )
       ( resid  51 and name CB  )  4.56 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name CA  )
       ( resid  52 and name CB  ) 20.00 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name CA  )
       ( resid  58 and name CB  ) -4.93 0.30

# CA-HA DIPOLAR COUPLING RESTRAINTS
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   1 and name CA  )
       ( resid   1 and name HA  ) 11.31 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name CA  )
       ( resid   2 and name HA  ) 14.66 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name CA  )
       ( resid   3 and name HA  ) 14.53 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name CA  )
       ( resid   4 and name HA  ) 10.21 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name CA  )
       ( resid   5 and name HA  ) -1.04 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name CA  )
       ( resid   6 and name HA  )  5.56 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name CA  )
       ( resid   9 and name HA  ) -2.69 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name CA  )
       ( resid  10 and name HA  ) -5.49 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name CA  )
       ( resid  11 and name HA  ) 13.26 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name CA  )
       ( resid  12 and name HA  )  1.97 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name CA  )
       ( resid  13 and name HA  ) 21.99 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name CA  )
       ( resid  14 and name HA  ) -7.41 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name CA  )
       ( resid  15 and name HA  ) -1.10 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name CA  )
       ( resid  16 and name HA  ) 12.68 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name CA  )
       ( resid  17 and name HA  ) 15.59 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name CA  )
       ( resid  18 and name HA  )  3.52 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name CA  )
       ( resid  19 and name HA  )  9.06 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name CA  )
       ( resid  20 and name HA  )  5.05 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name CA  )
       ( resid  21 and name HA  ) -2.75 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name CA  )
       ( resid  22 and name HA  )  7.60 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name CA  )
       ( resid  23 and name HA  )  8.88 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  25 and name CA  )
       ( resid  25 and name HA  ) 15.69 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name CA  )
       ( resid  26 and name HA  ) 18.72 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  28 and name CA  )
       ( resid  28 and name HA  ) 11.25 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name CA  )
       ( resid  29 and name HA  )  8.42 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name CA  )
       ( resid  31 and name HA  ) -5.59 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name CA  )
       ( resid  32 and name HA  ) -4.93 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name CA  )
       ( resid  33 and name HA  )  1.94 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name CA  )
       ( resid  34 and name HA  ) 10.45 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name CA  )
       ( resid  35 and name HA  ) -1.05 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name CA  )
       ( resid  36 and name HA  ) -23.87 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  38 and name CA  )
       ( resid  38 and name HA  )  8.95 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  40 and name CA  )
       ( resid  40 and name HA  ) 21.52 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name CA  )
       ( resid  44 and name HA  ) -14.82 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name CA  )
       ( resid  45 and name HA  )  6.64 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name CA  )
       ( resid  47 and name HA  ) 12.12 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  49 and name CA  )
       ( resid  49 and name HA  ) -12.76 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name CA  )
       ( resid  50 and name HA  )  6.14 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name CA  )
       ( resid  51 and name HA  ) 22.19 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name CA  )
       ( resid  52 and name HA  ) -28.10 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name CA  )
       ( resid  58 and name HA  ) -4.18 0.30

# CARBONYL CHEMICAL SHIFT ANISTROPY RESTRAINTS
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name N  )
       ( resid   1 and name C  )
       ( resid   1 and name O  ) 73.333 73.333 40 -8.29 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name N  )
       ( resid   2 and name C  )
       ( resid   2 and name O  ) 73.333 73.333 40 -9.90 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name N  )
       ( resid   3 and name C  )
       ( resid   3 and name O  ) 73.333 73.333 40 -110.09 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name N  )
       ( resid   4 and name C  )
       ( resid   4 and name O  ) 73.333 73.333 40 96.48 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name N  )
       ( resid   5 and name C  )
       ( resid   5 and name O  ) 73.333 73.333 40 -97.06 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name N  )
       ( resid   7 and name C  )
       ( resid   7 and name O  ) 73.333 73.333 40 74.56 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name N  )
       ( resid   8 and name C  )
       ( resid   8 and name O  ) 73.333 73.333 40 -75.34 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name N  )
       ( resid   9 and name C  )
       ( resid   9 and name O  ) 73.333 73.333 40 111.27 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name N  )
       ( resid  10 and name C  )
       ( resid  10 and name O  ) 73.333 73.333 40 -114.56 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name N  )
       ( resid  11 and name C  )
       ( resid  11 and name O  ) 73.333 73.333 40 63.59 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name N  )
       ( resid  12 and name C  )
       ( resid  12 and name O  ) 73.333 73.333 40 -79.10 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name N  )
       ( resid  13 and name C  )
       ( resid  13 and name O  ) 73.333 73.333 40 -21.17 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name N  )
       ( resid  14 and name C  )
       ( resid  14 and name O  ) 73.333 73.333 40 93.31 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name N  )
       ( resid  15 and name C  )
       ( resid  15 and name O  ) 73.333 73.333 40 -56.87 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name N  )
       ( resid  16 and name C  )
       ( resid  16 and name O  ) 73.333 73.333 40 65.84 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name N  )
       ( resid  17 and name C  )
       ( resid  17 and name O  ) 73.333 73.333 40 -141.32 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name N  )
       ( resid  18 and name C  )
       ( resid  18 and name O  ) 73.333 73.333 40 -8.70 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name N  )
       ( resid  19 and name C  )
       ( resid  19 and name O  ) 73.333 73.333 40 -96.04 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name N  )
       ( resid  20 and name C  )
       ( resid  20 and name O  ) 73.333 73.333 40 -4.07 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name N  )
       ( resid  21 and name C  )
       ( resid  21 and name O  ) 73.333 73.333 40 98.17 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name N  )
       ( resid  22 and name C  )
       ( resid  22 and name O  ) 73.333 73.333 40 -46.42 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  24 and name N  )
       ( resid  23 and name C  )
       ( resid  23 and name O  ) 73.333 73.333 40 -51.07 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name N  )
       ( resid  25 and name C  )
       ( resid  25 and name O  ) 73.333 73.333 40 -94.36 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  27 and name N  )
       ( resid  26 and name C  )
       ( resid  26 and name O  ) 73.333 73.333 40 77.79 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name N  )
       ( resid  28 and name C  )
       ( resid  28 and name O  ) 73.333 73.333 40 -26.23 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  30 and name N  )
       ( resid  29 and name C  )
       ( resid  29 and name O  ) 73.333 73.333 40  7.27 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name N  )
       ( resid  30 and name C  )
       ( resid  30 and name O  ) 73.333 73.333 40 -44.86 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name N  )
       ( resid  31 and name C  )
       ( resid  31 and name O  ) 73.333 73.333 40 55.51 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name N  )
       ( resid  32 and name C  )
       ( resid  32 and name O  ) 73.333 73.333 40 -62.24 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name N  )
       ( resid  33 and name C  )
       ( resid  33 and name O  ) 73.333 73.333 40 -1.18 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name N  )
       ( resid  34 and name C  )
       ( resid  34 and name O  ) 73.333 73.333 40 -32.48 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name N  )
       ( resid  35 and name C  )
       ( resid  35 and name O  ) 73.333 73.333 40 -54.21 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  37 and name N  )
       ( resid  36 and name C  )
       ( resid  36 and name O  ) 73.333 73.333 40 -25.87 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  39 and name N  )
       ( resid  38 and name C  )
       ( resid  38 and name O  ) 73.333 73.333 40 58.88 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  42 and name N  )
       ( resid  41 and name C  )
       ( resid  41 and name O  ) 73.333 73.333 40 103.43 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name N  )
       ( resid  43 and name C  )
       ( resid  43 and name O  ) 73.333 73.333 40 -10.50 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name N  )
       ( resid  44 and name C  )
       ( resid  44 and name O  ) 73.333 73.333 40 12.19 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  46 and name N  )
       ( resid  45 and name C  )
       ( resid  45 and name O  ) 73.333 73.333 40 90.41 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name N  )
       ( resid  46 and name C  )
       ( resid  46 and name O  ) 73.333 73.333 40 65.21 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  48 and name N  )
       ( resid  47 and name C  )
       ( resid  47 and name O  ) 73.333 73.333 40 -80.52 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name N  )
       ( resid  49 and name C  )
       ( resid  49 and name O  ) 73.333 73.333 40 85.44 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name N  )
       ( resid  50 and name C  )
       ( resid  50 and name O  ) 73.333 73.333 40 -102.60 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name N  )
       ( resid  51 and name C  )
       ( resid  51 and name O  ) 73.333 73.333 40 -30.87 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  53 and name N  )
       ( resid  52 and name C  )
       ( resid  52 and name O  ) 73.333 73.333 40 25.93 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  59 and name N  )
       ( resid  58 and name C  )
       ( resid  58 and name O  ) 73.333 73.333 40 43.34 10


# DIHEDRAL ANGLE RESTRAINTS
assign ( resid 3 and name C) ( resid 4 and name N)
       ( resid 4 and name CA) ( resid 4 and name C) 1.0 -124.00  48.00 2
 assign ( resid 4 and name N) ( resid 4 and name CA)
       ( resid 4 and name C) ( resid 5 and name N) 1.0 135.00  28.00 2

assign ( resid 4 and name C) ( resid 5 and name N)
       ( resid 5 and name CA) ( resid 5 and name C) 1.0 -102.00  68.00 2
 assign ( resid 5 and name N) ( resid 5 and name CA)
       ( resid 5 and name C) ( resid 6 and name N) 1.0 124.00  28.00 2

assign ( resid 6 and name C) ( resid 7 and name N)
       ( resid 7 and name CA) ( resid 7 and name C) 1.0 -144.00  34.00 2
 assign ( resid 7 and name N) ( resid 7 and name CA)
       ( resid 7 and name C) ( resid 8 and name N) 1.0 151.00  26.00 2

assign ( resid 8 and name C) ( resid 9 and name N)
       ( resid 9 and name CA) ( resid 9 and name C) 1.0 -115.00  34.00 2
 assign ( resid 9 and name N) ( resid 9 and name CA)
       ( resid 9 and name C) ( resid 10 and name N) 1.0 135.00  26.00 2

assign ( resid 9 and name C) ( resid 10 and name N)
       ( resid 10 and name CA) ( resid 10 and name C) 1.0 -106.00  30.00 2
 assign ( resid 10 and name N) ( resid 10 and name CA)
       ( resid 10 and name C) ( resid 11 and name N) 1.0 122.00  26.00 2

assign ( resid 10 and name C) ( resid 11 and name N)
       ( resid 11 and name CA) ( resid 11 and name C) 1.0 -96.00  40.00 2
 assign ( resid 11 and name N) ( resid 11 and name CA)
       ( resid 11 and name C) ( resid 12 and name N) 1.0 140.00  34.00 2

assign ( resid 12 and name C) ( resid 13 and name N)
       ( resid 13 and name CA) ( resid 13 and name C) 1.0 -121.00  66.00 2
 assign ( resid 13 and name N) ( resid 13 and name CA)
       ( resid 13 and name C) ( resid 14 and name N) 1.0 168.00  34.00 2

assign ( resid 19 and name C) ( resid 20 and name N)
       ( resid 20 and name CA) ( resid 20 and name C) 1.0 -113.00  54.00 2
 assign ( resid 20 and name N) ( resid 20 and name CA)
       ( resid 20 and name C) ( resid 21 and name N) 1.0 163.00  24.00 2

assign ( resid 24 and name C) ( resid 25 and name N)
       ( resid 25 and name CA) ( resid 25 and name C) 1.0 -91.00  50.00 2
 assign ( resid 25 and name N) ( resid 25 and name CA)
       ( resid 25 and name C) ( resid 26 and name N) 1.0 137.00  26.00 2

assign ( resid 25 and name C) ( resid 26 and name N)
       ( resid 26 and name CA) ( resid 26 and name C) 1.0 -96.00  42.00 2
 assign ( resid 26 and name N) ( resid 26 and name CA)
       ( resid 26 and name C) ( resid 27 and name N) 1.0 122.00  46.00 2

assign ( resid 26 and name C) ( resid 27 and name N)
       ( resid 27 and name CA) ( resid 27 and name C) 1.0 -109.00  32.00 2
 assign ( resid 27 and name N) ( resid 27 and name CA)
       ( resid 27 and name C) ( resid 28 and name N) 1.0 124.00  30.00 2

assign ( resid 31 and name C) ( resid 32 and name N)
       ( resid 32 and name CA) ( resid 32 and name C) 1.0 -68.00  32.00 2
 assign ( resid 32 and name N) ( resid 32 and name CA)
       ( resid 32 and name C) ( resid 33 and name N) 1.0 -21.00  20.00 2

assign ( resid 35 and name C) ( resid 36 and name N)
       ( resid 36 and name CA) ( resid 36 and name C) 1.0 -108.00  58.00 2
 assign ( resid 36 and name N) ( resid 36 and name CA)
       ( resid 36 and name C) ( resid 37 and name N) 1.0 148.00  24.00 2

assign ( resid 36 and name C) ( resid 37 and name N)
       ( resid 37 and name CA) ( resid 37 and name C) 1.0 -113.00  68.00 2
 assign ( resid 37 and name N) ( resid 37 and name CA)
       ( resid 37 and name C) ( resid 38 and name N) 1.0 142.00  30.00 2

assign ( resid 38 and name C) ( resid 39 and name N)
       ( resid 39 and name CA) ( resid 39 and name C) 1.0 -133.00  62.00 2
 assign ( resid 39 and name N) ( resid 39 and name CA)
       ( resid 39 and name C) ( resid 40 and name N) 1.0 147.00  30.00 2

assign ( resid 40 and name C) ( resid 41 and name N)
       ( resid 41 and name CA) ( resid 41 and name C) 1.0 -118.00  40.00 2
 assign ( resid 41 and name N) ( resid 41 and name CA)
       ( resid 41 and name C) ( resid 42 and name N) 1.0 120.00  22.00 2

assign ( resid 42 and name C) ( resid 43 and name N)
       ( resid 43 and name CA) ( resid 43 and name C) 1.0  84.00  20.00 2
 assign ( resid 43 and name N) ( resid 43 and name CA)
       ( resid 43 and name C) ( resid 44 and name N) 1.0   3.00  26.00 2

assign ( resid 43 and name C) ( resid 44 and name N)
       ( resid 44 and name CA) ( resid 44 and name C) 1.0 -109.00  32.00 2
 assign ( resid 44 and name N) ( resid 44 and name CA)
       ( resid 44 and name C) ( resid 45 and name N) 1.0 137.00  34.00 2

assign ( resid 44 and name C) ( resid 45 and name N)
       ( resid 45 and name CA) ( resid 45 and name C) 1.0 -122.00  20.00 2
 assign ( resid 45 and name N) ( resid 45 and name CA)
       ( resid 45 and name C) ( resid 46 and name N) 1.0 146.00  30.00 2

assign ( resid 46 and name C) ( resid 47 and name N)
       ( resid 47 and name CA) ( resid 47 and name C) 1.0 -113.00  54.00 2
 assign ( resid 47 and name N) ( resid 47 and name CA)
       ( resid 47 and name C) ( resid 48 and name N) 1.0 145.00  34.00 2

assign ( resid 50 and name C) ( resid 51 and name N)
       ( resid 51 and name CA) ( resid 51 and name C) 1.0 -87.00  30.00 2
 assign ( resid 51 and name N) ( resid 51 and name CA)
       ( resid 51 and name C) ( resid 52 and name N) 1.0 -19.00  32.00 2

assign ( resid 52 and name C) ( resid 53 and name N)
       ( resid 53 and name CA) ( resid 53 and name C) 1.0 -135.00  34.00 2
 assign ( resid 53 and name N) ( resid 53 and name CA)
       ( resid 53 and name C) ( resid 54 and name N) 1.0 152.00  34.00 2

! HYDROGEN BOND RESTRAINTS
assign (resid 4 and name o ) (resid 54 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 4 and name o ) (resid 54 and name n  ) 2.8 0.4 0.5

assign (resid 54 and name o ) (resid 4 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 54 and name o ) (resid 4 and name n  ) 2.8 0.4 0.5

assign (resid 3 and name o ) (resid 25 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 3 and name o ) (resid 25 and name n  ) 2.8 0.4 0.5

assign (resid 25 and name o ) (resid 3 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 25 and name o ) (resid 3 and name n  ) 2.8 0.4 0.5

assign (resid 5 and name o ) (resid 22 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 5 and name o ) (resid 22 and name n  ) 2.8 0.4 0.5 ! 

assign (resid 52 and name o ) (resid 6 and name hn ) 1.8 0.3 0.5
assign (resid 52 and name o ) (resid 6 and name n )  2.8 0.4 0.5 ! 

assign (resid 9 and name o ) (resid 19 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 9 and name o ) (resid 19 and name n  ) 2.8 0.4 0.5 ! 

assign (resid 19 and name o ) (resid 9 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 19 and name o ) (resid 9 and name n  ) 2.8 0.4 0.5 ! 

assign (resid 20 and name o ) (resid 23 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 20 and name o ) (resid 23 and name n  ) 2.8 0.4 0.5 ! 

assign (resid 26 and name o ) (resid 40 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 26 and name o ) (resid 40 and name n  ) 2.8 0.4 0.5

assign (resid 40 and name o ) (resid 26 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 40 and name o ) (resid 26 and name n  ) 2.8 0.4 0.5

assign (resid 35 and name o ) (resid 50 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 35 and name o ) (resid 50 and name n  ) 2.8 0.4 0.5

assign (resid 37 and name o ) (resid 48 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 37 and name o ) (resid 48 and name n  ) 2.8 0.4 0.5

assign (resid 48 and name o ) (resid 37 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 48 and name o ) (resid 37 and name n  ) 2.8 0.4 0.5

assign (resid 38 and name o ) (resid 28 and name hn ) 1.8 0.3 0.5 !! this is a maybe
assign (resid 38 and name o ) (resid 28 and name n  ) 2.8 0.4 0.5 !! based on other structs

assign (resid 39 and name o ) (resid 46 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 39 and name o ) (resid 46 and name n  ) 2.8 0.4 0.5

assign (resid 46 and name o ) (resid 39 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 46 and name o ) (resid 39 and name n  ) 2.8 0.4 0.5

assign (resid 41 and name o ) (resid 44 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 41 and name o ) (resid 44 and name n  ) 2.8 0.4 0.5

assign (resid 44 and name o ) (resid 41 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 44 and name o ) (resid 41 and name n  ) 2.8 0.4 0.5

assign (resid 47 and name o ) (resid 17 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 47 and name o ) (resid 17 and name n  ) 2.8 0.4 0.5

#
#  HNHA J-coupling constraints
#

assign ( resid   2 and name C   ) ( resid   3 and name N  )
       ( resid   3 and name CA  ) ( resid   3 and name C  )      9.58   0.50
 
assign ( resid   3 and name C   ) ( resid   4 and name N  )
       ( resid   4 and name CA  ) ( resid   4 and name C  )      9.54   0.50
 
assign ( resid   4 and name C   ) ( resid   5 and name N  )
       ( resid   5 and name CA  ) ( resid   5 and name C  )      4.78   0.50
 
assign ( resid   5 and name C   ) ( resid   6 and name N  )
       ( resid   6 and name CA  ) ( resid   6 and name C  )      7.83   0.50
 
assign ( resid   6 and name C   ) ( resid   7 and name N  )
       ( resid   7 and name CA  ) ( resid   7 and name C  )      8.09   0.50
 
assign ( resid   7 and name C   ) ( resid   8 and name N  )
       ( resid   8 and name CA  ) ( resid   8 and name C  )      9.43   0.50
 
assign ( resid   8 and name C   ) ( resid   9 and name N  )
       ( resid   9 and name CA  ) ( resid   9 and name C  )      9.12   0.50
 
assign ( resid   9 and name C   ) ( resid  10 and name N  )
       ( resid  10 and name CA  ) ( resid  10 and name C  )      9.73   0.50
 
assign ( resid  10 and name C   ) ( resid  11 and name N  )
       ( resid  11 and name CA  ) ( resid  11 and name C  )      3.13   0.50
 
assign ( resid  11 and name C   ) ( resid  12 and name N  )
       ( resid  12 and name CA  ) ( resid  12 and name C  )     10.06   0.50
 
assign ( resid  12 and name C   ) ( resid  13 and name N  )
       ( resid  13 and name CA  ) ( resid  13 and name C  )      7.40   0.50
 
assign ( resid  13 and name C   ) ( resid  14 and name N  )
       ( resid  14 and name CA  ) ( resid  14 and name C  )      3.35   0.50
 
assign ( resid  14 and name C   ) ( resid  15 and name N  )
       ( resid  15 and name CA  ) ( resid  15 and name C  )      8.18   0.50
 
assign ( resid  15 and name C   ) ( resid  16 and name N  )
       ( resid  16 and name CA  ) ( resid  16 and name C  )      8.79   0.50
 
assign ( resid  16 and name C   ) ( resid  17 and name N  )
       ( resid  17 and name CA  ) ( resid  17 and name C  )      9.42   0.50
 
assign ( resid  17 and name C   ) ( resid  18 and name N  )
       ( resid  18 and name CA  ) ( resid  18 and name C  )      7.24   0.50
 
assign ( resid  18 and name C   ) ( resid  19 and name N  )
       ( resid  19 and name CA  ) ( resid  19 and name C  )      6.04   0.50
 
assign ( resid  19 and name C   ) ( resid  20 and name N  )
       ( resid  20 and name CA  ) ( resid  20 and name C  )      9.61   0.50
 
assign ( resid  21 and name C   ) ( resid  22 and name N  )
       ( resid  22 and name CA  ) ( resid  22 and name C  )      7.45   0.50
 
assign ( resid  22 and name C   ) ( resid  23 and name N  )
       ( resid  23 and name CA  ) ( resid  23 and name C  )      5.78   0.50
 
assign ( resid  23 and name C   ) ( resid  24 and name N  )
       ( resid  24 and name CA  ) ( resid  24 and name C  )      8.59   0.50
 
assign ( resid  24 and name C   ) ( resid  25 and name N  )
       ( resid  25 and name CA  ) ( resid  25 and name C  )      9.49   0.50
 
assign ( resid  25 and name C   ) ( resid  26 and name N  )
       ( resid  26 and name CA  ) ( resid  26 and name C  )      8.65   0.50
 
assign ( resid  26 and name C   ) ( resid  27 and name N  )
       ( resid  27 and name CA  ) ( resid  27 and name C  )      8.49   0.50
 
assign ( resid  27 and name C   ) ( resid  28 and name N  )
       ( resid  28 and name CA  ) ( resid  28 and name C  )      8.98   0.50
 
assign ( resid  28 and name C   ) ( resid  29 and name N  )
       ( resid  29 and name CA  ) ( resid  29 and name C  )      7.60   0.50
 
assign ( resid  29 and name C   ) ( resid  30 and name N  )
       ( resid  30 and name CA  ) ( resid  30 and name C  )      9.12   0.50
 
assign ( resid  30 and name C   ) ( resid  31 and name N  )
       ( resid  31 and name CA  ) ( resid  31 and name C  )      7.91   0.50
 
assign ( resid  31 and name C   ) ( resid  32 and name N  )
       ( resid  32 and name CA  ) ( resid  32 and name C  )      4.94   0.50
 
assign ( resid  32 and name C   ) ( resid  33 and name N  )
       ( resid  33 and name CA  ) ( resid  33 and name C  )      8.14   0.50
 
assign ( resid  33 and name C   ) ( resid  34 and name N  )
       ( resid  34 and name CA  ) ( resid  34 and name C  )      6.35   0.50
 
assign ( resid  34 and name C   ) ( resid  35 and name N  )
       ( resid  35 and name CA  ) ( resid  35 and name C  )      8.55   0.50
 
assign ( resid  35 and name C   ) ( resid  36 and name N  )
       ( resid  36 and name CA  ) ( resid  36 and name C  )      9.27   0.50
 
assign ( resid  36 and name C   ) ( resid  37 and name N  )
       ( resid  37 and name CA  ) ( resid  37 and name C  )     10.10   0.50
 
assign ( resid  37 and name C   ) ( resid  38 and name N  )
       ( resid  38 and name CA  ) ( resid  38 and name C  )      9.11   0.50
 
assign ( resid  38 and name C   ) ( resid  39 and name N  )
       ( resid  39 and name CA  ) ( resid  39 and name C  )      9.45   0.50
 
assign ( resid  40 and name C   ) ( resid  41 and name N  )
       ( resid  41 and name CA  ) ( resid  41 and name C  )      7.91   0.50
 
assign ( resid  41 and name C   ) ( resid  42 and name N  )
       ( resid  42 and name CA  ) ( resid  42 and name C  )      6.49   0.50
 
assign ( resid  42 and name C   ) ( resid  43 and name N  )
       ( resid  43 and name CA  ) ( resid  43 and name C  )      5.77   0.50
 
assign ( resid  43 and name C   ) ( resid  44 and name N  )
       ( resid  44 and name CA  ) ( resid  44 and name C  )      9.43   0.50
 
assign ( resid  44 and name C   ) ( resid  45 and name N  )
       ( resid  45 and name CA  ) ( resid  45 and name C  )      9.16   0.50
 
assign ( resid  45 and name C   ) ( resid  46 and name N  )
       ( resid  46 and name CA  ) ( resid  46 and name C  )      3.10   0.50
 
assign ( resid  47 and name C   ) ( resid  48 and name N  )
       ( resid  48 and name CA  ) ( resid  48 and name C  )      9.41   0.50
 
assign ( resid  49 and name C   ) ( resid  50 and name N  )
       ( resid  50 and name CA  ) ( resid  50 and name C  )      2.86   0.50
 
assign ( resid  50 and name C   ) ( resid  51 and name N  )
       ( resid  51 and name CA  ) ( resid  51 and name C  )      6.30   0.50
 
assign ( resid  51 and name C   ) ( resid  52 and name N  )
       ( resid  52 and name CA  ) ( resid  52 and name C  )      8.77   0.50
 
assign ( resid  52 and name C   ) ( resid  53 and name N  )
       ( resid  53 and name CA  ) ( resid  53 and name C  )     10.03   0.50
 
assign ( resid  53 and name C   ) ( resid  54 and name N  )
       ( resid  54 and name CA  ) ( resid  54 and name C  )      6.37   0.50
 
assign ( resid  55 and name C   ) ( resid  56 and name N  )
       ( resid  56 and name CA  ) ( resid  56 and name C  )      7.25   0.50
 
assign ( resid  56 and name C   ) ( resid  57 and name N  )
       ( resid  57 and name CA  ) ( resid  57 and name C  )      7.53   0.50
 
assign ( resid  57 and name C   ) ( resid  58 and name N  )
       ( resid  58 and name CA  ) ( resid  58 and name C  )      7.38   0.50
 
assign ( resid  58 and name C   ) ( resid  59 and name N  )
       ( resid  59 and name CA  ) ( resid  59 and name C  )      7.14   0.50
 
assign ( segid C0 and resid 22 and name ha1) ( segid C0 and resid 22 and name ca)
( segid C0 and resid 22 and name n ) ( segid C0 and resid 22 and name hn)
( segid C0 and resid 22 and name ha2) ( segid C0 and resid 22 and name ca)
( segid C0 and resid 22 and name n ) ( segid C0 and resid 22 and name hn)
       7.450 0.5
       4.750 0.5
 
assign ( segid C0 and resid 43 and name ha1) ( segid C0 and resid 43 and name ca)
( segid C0 and resid 43 and name n ) ( segid C0 and resid 43 and name hn)
( segid C0 and resid 43 and name ha2) ( segid C0 and resid 43 and name ca)
( segid C0 and resid 43 and name n ) ( segid C0 and resid 43 and name hn)
       5.770 0.5
       5.550 0.5
 
assign ( segid C0 and resid 46 and name ha1) ( segid C0 and resid 46 and name ca)
( segid C0 and resid 46 and name n ) ( segid C0 and resid 46 and name hn)
( segid C0 and resid 46 and name ha2) ( segid C0 and resid 46 and name ca)
( segid C0 and resid 46 and name n ) ( segid C0 and resid 46 and name hn)
       3.100 0.5
       4.000 0.5


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1   0.777  -7.963  -5.227
    2   2H    MET   1          2H        MET   1  -0.854  -7.546  -5.558
    3   3H    MET   1          3H        MET   1  -0.215  -9.035  -6.123
    4    HA   MET   1           HA       MET   1  -1.135  -9.906  -4.334
    5   1HB   MET   1          2HB       MET   1   0.979  -8.356  -2.826
    6   2HB   MET   1          1HB       MET   1   0.298  -9.923  -2.409
    7   1HG   MET   1          2HG       MET   1   2.067  -9.325  -4.770
    8   2HG   MET   1          1HG       MET   1   2.542 -10.162  -3.294
    9   1HE   MET   1          1HE       MET   1   1.432 -13.574  -3.482
   10   2HE   MET   1          2HE       MET   1   0.062 -12.614  -2.925
   11   3HE   MET   1          3HE       MET   1   1.702 -12.161  -2.462
   12    H    GLU   2           H        GLU   2  -1.304  -9.236  -1.616
   13    HA   GLU   2           HA       GLU   2  -2.775  -6.685  -1.626
   14   1HB   GLU   2          2HB       GLU   2  -3.637  -8.644   0.407
   15   2HB   GLU   2          1HB       GLU   2  -4.590  -7.521  -0.549
   16   1HG   GLU   2          2HG       GLU   2  -5.185  -9.106  -1.975
   17   2HG   GLU   2          1HG       GLU   2  -3.524  -9.657  -2.180
   18    H    ALA   3           H        ALA   3  -2.667  -5.465   0.370
   19    HA   ALA   3           HA       ALA   3  -0.820  -6.457   2.407
   20   1HB   ALA   3          1HB       ALA   3  -0.263  -4.206   0.564
   21   2HB   ALA   3          2HB       ALA   3   0.837  -5.369   1.305
   22   3HB   ALA   3          3HB       ALA   3   0.202  -4.027   2.255
   23    H    ILE   4           H        ILE   4  -0.513  -4.608   4.100
   24    HA   ILE   4           HA       ILE   4  -3.043  -3.203   4.586
   25    HB   ILE   4           HB       ILE   4  -3.338  -4.041   6.786
   26   1HG1  ILE   4          2HG1      ILE   4  -1.641  -6.125   7.278
   27   2HG1  ILE   4          1HG1      ILE   4  -0.563  -4.994   6.465
   28   1HG2  ILE   4          1HG2      ILE   4  -2.704  -6.505   5.200
   29   2HG2  ILE   4          2HG2      ILE   4  -4.049  -5.443   4.783
   30   3HG2  ILE   4          3HG2      ILE   4  -4.005  -6.232   6.357
   31   1HD1  ILE   4          1HD1      ILE   4  -0.275  -4.104   8.485
   32   2HD1  ILE   4          2HD1      ILE   4  -1.701  -4.910   9.140
   33   3HD1  ILE   4          3HD1      ILE   4  -1.873  -3.392   8.260
   34    H    ALA   5           H        ALA   5  -2.902  -1.331   5.715
   35    HA   ALA   5           HA       ALA   5  -0.377  -0.043   5.896
   36   1HB   ALA   5          1HB       ALA   5  -1.570   1.849   6.645
   37   2HB   ALA   5          2HB       ALA   5  -2.931   0.869   7.176
   38   3HB   ALA   5          3HB       ALA   5  -2.600   1.054   5.457
   39    H    LYS   6           H        LYS   6   1.090  -0.114   7.419
   40    HA   LYS   6           HA       LYS   6   0.394  -1.250  10.022
   41   1HB   LYS   6          2HB       LYS   6   2.440  -2.135   9.939
   42   2HB   LYS   6          1HB       LYS   6   2.677  -1.389   8.371
   43   1HG   LYS   6          2HG       LYS   6   3.666   0.566   9.435
   44   2HG   LYS   6          1HG       LYS   6   3.380  -0.150  11.023
   45   1HD   LYS   6          2HD       LYS   6   5.178  -1.487  10.870
   46   2HD   LYS   6          1HD       LYS   6   4.818  -1.922   9.197
   47   1HE   LYS   6          2HE       LYS   6   6.212  -0.368   8.366
   48   2HE   LYS   6          1HE       LYS   6   5.742   0.837   9.564
   49   1HZ   LYS   6          1HZ       LYS   6   7.315   0.103  11.050
   50   2HZ   LYS   6          2HZ       LYS   6   8.126  -0.131   9.584
   51   3HZ   LYS   6          3HZ       LYS   6   7.414  -1.446  10.375
   52    H    HIS   7           H        HIS   7   1.235   1.750   8.540
   53    HA   HIS   7           HA       HIS   7   0.571   3.167  11.002
   54   1HB   HIS   7          2HB       HIS   7   3.241   3.143   9.736
   55   2HB   HIS   7          1HB       HIS   7   2.618   4.740  10.138
   56    HD1  HIS   7           HD1      HIS   7   3.603   1.483  11.745
   57    HD2  HIS   7           HD2      HIS   7   2.644   5.373  12.829
   58    HE1  HIS   7           HE1      HIS   7   4.166   1.653  14.187
   59    HE2  HIS   7           HE2      HIS   7   3.485   3.987  14.845
   60    H    ASP   8           H        ASP   8   0.672   5.596  10.488
   61    HA   ASP   8           HA       ASP   8  -1.198   5.956   8.339
   62   1HB   ASP   8          2HB       ASP   8  -1.478   8.238   9.275
   63   2HB   ASP   8          1HB       ASP   8  -1.689   6.973  10.481
   64    H    PHE   9           H        PHE   9  -1.001   7.281   6.526
   65    HA   PHE   9           HA       PHE   9   1.575   8.602   6.152
   66   1HB   PHE   9          2HB       PHE   9   1.724   6.343   5.099
   67   2HB   PHE   9          1HB       PHE   9   0.387   6.779   4.047
   68    HD1  PHE   9           HD1      PHE   9   2.424   9.624   4.570
   69    HD2  PHE   9           HD2      PHE   9   2.235   5.986   2.408
   70    HE1  PHE   9           HE1      PHE   9   4.006  10.531   2.924
   71    HE2  PHE   9           HE2      PHE   9   3.829   6.876   0.757
   72    HZ   PHE   9           HZ       PHE   9   4.716   9.151   1.014
   73    H    SER  10           H        SER  10   1.318  10.603   5.396
   74    HA   SER  10           HA       SER  10  -1.061  11.215   3.758
   75   1HB   SER  10          2HB       SER  10  -1.280  12.348   5.920
   76   2HB   SER  10          1HB       SER  10   0.349  13.005   5.768
   77    HG   SER  10           HG       SER  10  -0.425  14.118   3.873
   78    H    ALA  11           H        ALA  11  -0.754  11.674   1.870
   79    HA   ALA  11           HA       ALA  11   1.607  11.671   0.472
   80   1HB   ALA  11          1HB       ALA  11  -0.234  11.223  -0.788
   81   2HB   ALA  11          2HB       ALA  11   0.085  12.883  -1.285
   82   3HB   ALA  11          3HB       ALA  11  -1.173  12.537  -0.099
   83    H    THR  12           H        THR  12   2.987  13.090  -0.376
   84    HA   THR  12           HA       THR  12   2.708  15.912   0.417
   85    HB   THR  12           HB       THR  12   5.379  14.830  -0.353
   86    HG1  THR  12           HG1      THR  12   5.352  14.452   2.166
   87   1HG2  THR  12          1HG2      THR  12   4.653  17.247   0.506
   88   2HG2  THR  12          2HG2      THR  12   6.230  16.536   0.853
   89   3HG2  THR  12          3HG2      THR  12   4.947  16.470   2.061
   90    H    ALA  13           H        ALA  13   4.695  14.373  -2.178
   91    HA   ALA  13           HA       ALA  13   3.644  16.420  -4.011
   92   1HB   ALA  13          1HB       ALA  13   5.625  16.413  -5.075
   93   2HB   ALA  13          2HB       ALA  13   5.785  14.659  -4.986
   94   3HB   ALA  13          3HB       ALA  13   6.213  15.655  -3.595
   95    H    ASP  14           H        ASP  14   3.455  15.748  -6.267
   96    HA   ASP  14           HA       ASP  14   2.147  14.711  -7.865
   97   1HB   ASP  14          2HB       ASP  14   3.774  12.420  -6.911
   98   2HB   ASP  14          1HB       ASP  14   2.854  12.496  -8.411
   99    H    ASP  15           H        ASP  15   1.664  11.578  -7.272
  100    HA   ASP  15           HA       ASP  15  -0.810  12.146  -5.822
  101   1HB   ASP  15          2HB       ASP  15  -0.799  11.235  -8.477
  102   2HB   ASP  15          1HB       ASP  15  -1.231   9.842  -7.491
  103    H    GLU  16           H        GLU  16   0.088  11.551  -4.000
  104    HA   GLU  16           HA       GLU  16   0.957   8.761  -3.561
  105   1HB   GLU  16          2HB       GLU  16   1.959  11.053  -2.564
  106   2HB   GLU  16          1HB       GLU  16   0.756  10.689  -1.349
  107   1HG   GLU  16          2HG       GLU  16   2.254   9.402  -0.386
  108   2HG   GLU  16          1HG       GLU  16   2.011   8.279  -1.724
  109    H    LEU  17           H        LEU  17   0.033   7.695  -1.604
  110    HA   LEU  17           HA       LEU  17  -2.834   8.353  -1.386
  111   1HB   LEU  17          2HB       LEU  17  -1.556   5.632  -1.374
  112   2HB   LEU  17          1HB       LEU  17  -3.238   5.930  -1.021
  113    HG   LEU  17           HG       LEU  17  -1.851   5.745  -3.603
  114   1HD1  LEU  17          1HD1      LEU  17  -4.533   5.443  -4.019
  115   2HD1  LEU  17          2HD1      LEU  17  -4.358   4.949  -2.336
  116   3HD1  LEU  17          3HD1      LEU  17  -3.412   4.150  -3.592
  117   1HD2  LEU  17          1HD2      LEU  17  -3.784   7.986  -3.070
  118   2HD2  LEU  17          2HD2      LEU  17  -3.643   7.248  -4.663
  119   3HD2  LEU  17          3HD2      LEU  17  -2.246   8.028  -3.932
  120    H    SER  18           H        SER  18  -3.750   8.440   0.563
  121    HA   SER  18           HA       SER  18  -1.966   8.301   2.851
  122   1HB   SER  18          2HB       SER  18  -4.817   9.290   2.642
  123   2HB   SER  18          1HB       SER  18  -3.810   9.391   4.086
  124    HG   SER  18           HG       SER  18  -2.780  10.459   1.724
  125    H    PHE  19           H        PHE  19  -2.494   7.116   4.793
  126    HA   PHE  19           HA       PHE  19  -4.723   5.344   4.834
  127   1HB   PHE  19          2HB       PHE  19  -3.294   3.228   4.905
  128   2HB   PHE  19          1HB       PHE  19  -3.581   3.948   3.326
  129    HD1  PHE  19           HD1      PHE  19  -1.102   3.332   5.945
  130    HD2  PHE  19           HD2      PHE  19  -1.787   4.919   2.061
  131    HE1  PHE  19           HE1      PHE  19   1.315   3.356   5.536
  132    HE2  PHE  19           HE2      PHE  19   0.639   4.961   1.652
  133    HZ   PHE  19           HZ       PHE  19   2.191   4.177   3.388
  134    H    ARG  20           H        ARG  20  -4.753   3.928   6.716
  135    HA   ARG  20           HA       ARG  20  -3.050   4.918   8.911
  136   1HB   ARG  20          2HB       ARG  20  -5.970   4.277   9.252
  137   2HB   ARG  20          1HB       ARG  20  -4.913   5.150  10.351
  138   1HG   ARG  20          2HG       ARG  20  -5.294   6.333   7.670
  139   2HG   ARG  20          1HG       ARG  20  -6.685   6.348   8.754
  140   1HD   ARG  20          2HD       ARG  20  -5.101   7.314  10.502
  141   2HD   ARG  20          1HD       ARG  20  -3.978   7.580   9.168
  142    HE   ARG  20           HE       ARG  20  -6.674   8.675   8.925
  143   1HH1  ARG  20          1HH1      ARG  20  -3.275   9.240   9.517
  144   2HH1  ARG  20          2HH1      ARG  20  -3.381  10.939   9.213
  145   1HH2  ARG  20          1HH2      ARG  20  -6.807  10.911   8.528
  146   2HH2  ARG  20          2HH2      ARG  20  -5.382  11.889   8.654
  147    H    LYS  21           H        LYS  21  -2.979   3.529  10.792
  148    HA   LYS  21           HA       LYS  21  -2.236   0.923  10.237
  149   1HB   LYS  21          2HB       LYS  21  -1.689   2.257  12.302
  150   2HB   LYS  21          1HB       LYS  21  -3.278   1.827  12.917
  151   1HG   LYS  21          2HG       LYS  21  -1.820  -0.504  12.018
  152   2HG   LYS  21          1HG       LYS  21  -0.923   0.403  13.237
  153   1HD   LYS  21          2HD       LYS  21  -3.825  -0.244  13.626
  154   2HD   LYS  21          1HD       LYS  21  -2.573  -1.425  14.015
  155   1HE   LYS  21          2HE       LYS  21  -1.660  -0.082  15.692
  156   2HE   LYS  21          1HE       LYS  21  -2.444   1.374  15.080
  157   1HZ   LYS  21          1HZ       LYS  21  -4.566   0.519  15.804
  158   2HZ   LYS  21          2HZ       LYS  21  -3.490   0.533  17.109
  159   3HZ   LYS  21          3HZ       LYS  21  -3.854  -0.923  16.330
  160    H    GLY  22           H        GLY  22  -3.185  -0.986  10.057
  161   1HA   GLY  22          2HA       GLY  22  -4.812  -2.633  10.447
  162   2HA   GLY  22          1HA       GLY  22  -5.916  -1.385  10.994
  163    H    GLN  23           H        GLN  23  -4.879  -0.016   8.252
  164    HA   GLN  23           HA       GLN  23  -7.228  -0.782   6.825
  165   1HB   GLN  23          2HB       GLN  23  -5.177   1.276   6.650
  166   2HB   GLN  23          1HB       GLN  23  -5.661   0.676   5.073
  167   1HG   GLN  23          2HG       GLN  23  -8.046   1.051   6.449
  168   2HG   GLN  23          1HG       GLN  23  -7.045   2.437   6.881
  169   1HE2  GLN  23          1HE2      GLN  23  -9.102   1.126   4.596
  170   2HE2  GLN  23          2HE2      GLN  23  -8.799   2.232   3.304
  171    H    ILE  24           H        ILE  24  -7.308  -1.568   4.579
  172    HA   ILE  24           HA       ILE  24  -5.048  -3.363   4.018
  173    HB   ILE  24           HB       ILE  24  -7.152  -4.502   4.445
  174   1HG1  ILE  24          2HG1      ILE  24  -6.639  -4.770   1.493
  175   2HG1  ILE  24          1HG1      ILE  24  -5.436  -5.276   2.675
  176   1HG2  ILE  24          1HG2      ILE  24  -8.189  -2.904   2.117
  177   2HG2  ILE  24          2HG2      ILE  24  -8.749  -2.857   3.787
  178   3HG2  ILE  24          3HG2      ILE  24  -9.012  -4.298   2.807
  179   1HD1  ILE  24          1HD1      ILE  24  -8.151  -6.298   3.132
  180   2HD1  ILE  24          2HD1      ILE  24  -6.590  -7.112   3.251
  181   3HD1  ILE  24          3HD1      ILE  24  -7.348  -6.882   1.674
  182    H    LEU  25           H        LEU  25  -3.712  -2.606   2.562
  183    HA   LEU  25           HA       LEU  25  -4.691  -1.021   0.297
  184   1HB   LEU  25          2HB       LEU  25  -2.198  -1.200   1.824
  185   2HB   LEU  25          1HB       LEU  25  -1.942  -1.123   0.092
  186    HG   LEU  25           HG       LEU  25  -3.746   0.867   1.387
  187   1HD1  LEU  25          1HD1      LEU  25  -1.465   2.243   1.355
  188   2HD1  LEU  25          2HD1      LEU  25  -0.840   0.646   1.771
  189   3HD1  LEU  25          3HD1      LEU  25  -2.073   1.402   2.781
  190   1HD2  LEU  25          1HD2      LEU  25  -3.485   2.040  -0.536
  191   2HD2  LEU  25          2HD2      LEU  25  -3.108   0.447  -1.179
  192   3HD2  LEU  25          3HD2      LEU  25  -1.808   1.547  -0.736
  193    H    LYS  26           H        LYS  26  -4.609  -1.770  -1.804
  194    HA   LYS  26           HA       LYS  26  -3.828  -4.563  -2.200
  195   1HB   LYS  26          2HB       LYS  26  -5.948  -3.083  -3.110
  196   2HB   LYS  26          1HB       LYS  26  -4.876  -3.078  -4.504
  197   1HG   LYS  26          2HG       LYS  26  -5.600  -5.614  -3.078
  198   2HG   LYS  26          1HG       LYS  26  -6.613  -4.930  -4.351
  199   1HD   LYS  26          2HD       LYS  26  -4.393  -4.867  -5.709
  200   2HD   LYS  26          1HD       LYS  26  -3.849  -6.057  -4.525
  201   1HE   LYS  26          2HE       LYS  26  -4.717  -7.304  -6.328
  202   2HE   LYS  26          1HE       LYS  26  -5.950  -7.361  -5.070
  203   1HZ   LYS  26          1HZ       LYS  26  -5.952  -5.779  -7.550
  204   2HZ   LYS  26          2HZ       LYS  26  -6.985  -5.408  -6.276
  205   3HZ   LYS  26          3HZ       LYS  26  -7.090  -6.911  -7.045
  206    H    ILE  27           H        ILE  27  -2.096  -5.238  -3.327
  207    HA   ILE  27           HA       ILE  27  -0.365  -3.213  -4.565
  208    HB   ILE  27           HB       ILE  27   0.233  -6.083  -3.815
  209   1HG1  ILE  27          2HG1      ILE  27   1.822  -4.015  -2.540
  210   2HG1  ILE  27          1HG1      ILE  27   0.106  -3.791  -2.218
  211   1HG2  ILE  27          1HG2      ILE  27   2.049  -3.955  -4.932
  212   2HG2  ILE  27          2HG2      ILE  27   1.524  -5.419  -5.761
  213   3HG2  ILE  27          3HG2      ILE  27   2.565  -5.534  -4.342
  214   1HD1  ILE  27          1HD1      ILE  27  -0.068  -5.951  -1.251
  215   2HD1  ILE  27          2HD1      ILE  27   1.332  -5.152  -0.537
  216   3HD1  ILE  27          3HD1      ILE  27   1.558  -6.384  -1.778
  217    H    LEU  28           H        LEU  28  -0.706  -2.910  -6.648
  218    HA   LEU  28           HA       LEU  28  -0.899  -5.157  -8.543
  219   1HB   LEU  28          2HB       LEU  28  -3.154  -3.520  -7.673
  220   2HB   LEU  28          1HB       LEU  28  -2.893  -3.451  -9.405
  221    HG   LEU  28           HG       LEU  28  -3.534  -5.864  -7.721
  222   1HD1  LEU  28          1HD1      LEU  28  -4.910  -4.216  -9.739
  223   2HD1  LEU  28          2HD1      LEU  28  -5.553  -5.127  -8.384
  224   3HD1  LEU  28          3HD1      LEU  28  -5.137  -5.959  -9.876
  225   1HD2  LEU  28          1HD2      LEU  28  -2.162  -7.052  -9.041
  226   2HD2  LEU  28          2HD2      LEU  28  -1.997  -5.743 -10.211
  227   3HD2  LEU  28          3HD2      LEU  28  -3.396  -6.813 -10.278
  228    H    ASN  29           H        ASN  29   1.114  -3.133  -8.000
  229    HA   ASN  29           HA       ASN  29   0.848  -1.302 -10.224
  230   1HB   ASN  29          2HB       ASN  29   2.039  -0.712  -8.056
  231   2HB   ASN  29          1HB       ASN  29   3.347  -1.764  -8.578
  232   1HD2  ASN  29          1HD2      ASN  29   1.457   0.280 -10.721
  233   2HD2  ASN  29          2HD2      ASN  29   2.742   1.355 -11.130
  234    H    MET  30           H        MET  30   3.812  -1.511 -10.905
  235    HA   MET  30           HA       MET  30   3.452  -3.749 -12.764
  236   1HB   MET  30          2HB       MET  30   5.643  -1.888 -13.371
  237   2HB   MET  30          1HB       MET  30   4.386  -2.525 -14.414
  238   1HG   MET  30          2HG       MET  30   2.968  -0.777 -12.910
  239   2HG   MET  30          1HG       MET  30   4.546   0.008 -12.951
  240   1HE   MET  30          1HE       MET  30   5.930  -0.222 -15.029
  241   2HE   MET  30          2HE       MET  30   5.389   1.132 -16.020
  242   3HE   MET  30          3HE       MET  30   5.317  -0.511 -16.657
  243    H    GLU  31           H        GLU  31   6.534  -3.209 -13.253
  244    HA   GLU  31           HA       GLU  31   7.421  -4.963 -11.059
  245   1HB   GLU  31          2HB       GLU  31   7.513  -5.534 -13.744
  246   2HB   GLU  31          1HB       GLU  31   9.157  -5.038 -13.371
  247   1HG   GLU  31          2HG       GLU  31   9.199  -7.313 -12.987
  248   2HG   GLU  31          1HG       GLU  31   8.957  -6.647 -11.373
  249    H    ASP  32           H        ASP  32   7.506  -2.200 -10.592
  250    HA   ASP  32           HA       ASP  32  10.006  -0.907 -11.322
  251   1HB   ASP  32          2HB       ASP  32   7.956  -0.533  -9.144
  252   2HB   ASP  32          1HB       ASP  32   9.384   0.480  -9.324
  253    H    ASP  33           H        ASP  33   8.766  -2.557  -8.427
  254    HA   ASP  33           HA       ASP  33   9.729  -3.563  -6.678
  255   1HB   ASP  33          2HB       ASP  33  11.722  -3.961  -8.819
  256   2HB   ASP  33          1HB       ASP  33  12.266  -4.262  -7.171
  257    H    SER  34           H        SER  34   9.615  -1.145  -5.874
  258    HA   SER  34           HA       SER  34  12.181  -0.619  -4.653
  259   1HB   SER  34          2HB       SER  34  11.749   0.633  -7.033
  260   2HB   SER  34          1HB       SER  34  11.152   1.845  -5.901
  261    HG   SER  34           HG       SER  34  13.735   0.794  -6.196
  262    H    ASN  35           H        ASN  35  11.479   2.147  -4.096
  263    HA   ASN  35           HA       ASN  35  10.073   1.652  -1.635
  264   1HB   ASN  35          2HB       ASN  35  11.833   3.688  -2.664
  265   2HB   ASN  35          1HB       ASN  35  10.457   4.409  -1.835
  266   1HD2  ASN  35          1HD2      ASN  35  12.355   1.459  -1.296
  267   2HD2  ASN  35          2HD2      ASN  35  12.760   1.816   0.345
  268    H    TRP  36           H        TRP  36   9.126   3.097  -4.704
  269    HA   TRP  36           HA       TRP  36   6.623   3.880  -3.409
  270   1HB   TRP  36          2HB       TRP  36   6.312   5.132  -5.679
  271   2HB   TRP  36          1HB       TRP  36   7.384   5.819  -4.476
  272    HD1  TRP  36           HD1      TRP  36  10.103   5.099  -4.910
  273    HE1  TRP  36           HE1      TRP  36  11.360   5.074  -7.155
  274    HE3  TRP  36           HE3      TRP  36   6.101   4.878  -8.086
  275    HZ2  TRP  36           HZ2      TRP  36  10.740   4.977  -9.905
  276    HZ3  TRP  36           HZ3      TRP  36   6.520   4.824 -10.509
  277    HH2  TRP  36           HH2      TRP  36   8.794   4.874 -11.398
  278    H    TYR  37           H        TYR  37   4.791   2.733  -3.964
  279    HA   TYR  37           HA       TYR  37   4.865   1.065  -6.387
  280   1HB   TYR  37          2HB       TYR  37   5.081   0.074  -3.792
  281   2HB   TYR  37          1HB       TYR  37   3.387  -0.173  -4.202
  282    HD1  TYR  37           HD1      TYR  37   6.451  -0.386  -6.328
  283    HD2  TYR  37           HD2      TYR  37   3.135  -2.431  -4.624
  284    HE1  TYR  37           HE1      TYR  37   7.057  -2.408  -7.587
  285    HE2  TYR  37           HE2      TYR  37   3.739  -4.458  -5.882
  286    HH   TYR  37           HH       TYR  37   5.349  -5.456  -7.115
  287    H    ARG  38           H        ARG  38   2.674   0.317  -7.048
  288    HA   ARG  38           HA       ARG  38   0.722   2.421  -6.490
  289   1HB   ARG  38          2HB       ARG  38   1.585   1.440  -8.899
  290   2HB   ARG  38          1HB       ARG  38   0.057   0.605  -8.689
  291   1HG   ARG  38          2HG       ARG  38  -0.926   2.905  -8.220
  292   2HG   ARG  38          1HG       ARG  38   0.590   3.541  -8.851
  293   1HD   ARG  38          2HD       ARG  38  -1.096   1.579 -10.383
  294   2HD   ARG  38          1HD       ARG  38  -1.348   3.319 -10.494
  295    HE   ARG  38           HE       ARG  38   0.554   1.868 -11.909
  296   1HH1  ARG  38          1HH1      ARG  38   0.431   4.763  -9.947
  297   2HH1  ARG  38          2HH1      ARG  38   1.756   5.515 -10.763
  298   1HH2  ARG  38          1HH2      ARG  38   2.275   2.883 -12.996
  299   2HH2  ARG  38          2HH2      ARG  38   2.792   4.459 -12.497
  300    H    ALA  39           H        ALA  39  -1.151   2.081  -5.569
  301    HA   ALA  39           HA       ALA  39  -1.992  -0.700  -5.143
  302   1HB   ALA  39          1HB       ALA  39  -1.601   1.462  -3.120
  303   2HB   ALA  39          2HB       ALA  39  -1.053  -0.215  -3.087
  304   3HB   ALA  39          3HB       ALA  39  -2.757   0.160  -2.837
  305    H    GLU  40           H        GLU  40  -4.230  -0.852  -4.233
  306    HA   GLU  40           HA       GLU  40  -6.009   1.229  -5.291
  307   1HB   GLU  40          2HB       GLU  40  -6.035  -0.464  -6.981
  308   2HB   GLU  40          1HB       GLU  40  -6.145  -1.746  -5.787
  309   1HG   GLU  40          2HG       GLU  40  -8.334  -1.752  -6.094
  310   2HG   GLU  40          1HG       GLU  40  -8.398  -0.154  -5.354
  311    H    LEU  41           H        LEU  41  -7.692   1.739  -3.984
  312    HA   LEU  41           HA       LEU  41  -8.576  -0.094  -1.910
  313   1HB   LEU  41          2HB       LEU  41  -8.066   2.690  -0.994
  314   2HB   LEU  41          1HB       LEU  41  -8.079   1.198  -0.078
  315    HG   LEU  41           HG       LEU  41  -5.861   0.696  -1.356
  316   1HD1  LEU  41          1HD1      LEU  41  -5.619   2.374  -2.911
  317   2HD1  LEU  41          2HD1      LEU  41  -4.674   3.016  -1.569
  318   3HD1  LEU  41          3HD1      LEU  41  -6.311   3.602  -1.852
  319   1HD2  LEU  41          1HD2      LEU  41  -4.844   1.206   0.569
  320   2HD2  LEU  41          2HD2      LEU  41  -6.467   1.537   1.134
  321   3HD2  LEU  41          3HD2      LEU  41  -5.431   2.860   0.593
  322    H    ASP  42           H        ASP  42 -10.696   0.027  -1.656
  323    HA   ASP  42           HA       ASP  42 -12.858   0.537  -2.109
  324   1HB   ASP  42          2HB       ASP  42 -11.652   2.873  -0.916
  325   2HB   ASP  42          1HB       ASP  42 -12.965   3.335  -1.994
  326    H    GLY  43           H        GLY  43 -11.144   0.343  -4.424
  327   1HA   GLY  43          2HA       GLY  43 -11.633   0.482  -6.697
  328   2HA   GLY  43          1HA       GLY  43 -12.916   1.620  -6.324
  329    H    LYS  44           H        LYS  44  -9.965   2.482  -4.898
  330    HA   LYS  44           HA       LYS  44  -9.423   4.409  -7.069
  331   1HB   LYS  44          2HB       LYS  44 -10.165   4.922  -4.445
  332   2HB   LYS  44          1HB       LYS  44  -8.416   5.094  -4.402
  333   1HG   LYS  44          2HG       LYS  44  -8.447   6.828  -5.998
  334   2HG   LYS  44          1HG       LYS  44 -10.123   6.493  -6.438
  335   1HD   LYS  44          2HD       LYS  44 -10.691   8.101  -4.997
  336   2HD   LYS  44          1HD       LYS  44 -10.237   6.978  -3.713
  337   1HE   LYS  44          2HE       LYS  44  -7.894   7.869  -3.912
  338   2HE   LYS  44          1HE       LYS  44  -8.533   9.113  -4.984
  339   1HZ   LYS  44          1HZ       LYS  44  -8.854   8.800  -2.100
  340   2HZ   LYS  44          2HZ       LYS  44 -10.175   9.420  -2.955
  341   3HZ   LYS  44          3HZ       LYS  44  -8.680  10.207  -3.023
  342    H    GLU  45           H        GLU  45  -7.293   4.644  -7.730
  343    HA   GLU  45           HA       GLU  45  -5.375   2.798  -6.489
  344   1HB   GLU  45          2HB       GLU  45  -5.188   3.993  -9.263
  345   2HB   GLU  45          1HB       GLU  45  -4.166   2.732  -8.591
  346   1HG   GLU  45          2HG       GLU  45  -5.531   1.383  -9.743
  347   2HG   GLU  45          1HG       GLU  45  -6.565   1.570  -8.333
  348    H    GLY  46           H        GLY  46  -3.024   3.551  -6.779
  349   1HA   GLY  46          2HA       GLY  46  -2.276   6.228  -6.909
  350   2HA   GLY  46          1HA       GLY  46  -2.794   5.909  -5.276
  351    H    LEU  47           H        LEU  47  -0.424   6.663  -5.154
  352    HA   LEU  47           HA       LEU  47   1.384   4.336  -5.327
  353   1HB   LEU  47          2HB       LEU  47   1.682   7.176  -5.934
  354   2HB   LEU  47          1HB       LEU  47   2.929   6.604  -4.840
  355    HG   LEU  47           HG       LEU  47   2.428   4.938  -7.238
  356   1HD1  LEU  47          1HD1      LEU  47   2.443   7.532  -7.792
  357   2HD1  LEU  47          2HD1      LEU  47   3.265   6.351  -8.812
  358   3HD1  LEU  47          3HD1      LEU  47   4.184   7.295  -7.640
  359   1HD2  LEU  47          1HD2      LEU  47   4.213   4.776  -5.305
  360   2HD2  LEU  47          2HD2      LEU  47   5.074   5.923  -6.331
  361   3HD2  LEU  47          3HD2      LEU  47   4.614   4.344  -6.968
  362    H    ILE  48           H        ILE  48   2.454   3.640  -3.479
  363    HA   ILE  48           HA       ILE  48   2.217   5.231  -1.030
  364    HB   ILE  48           HB       ILE  48   1.614   3.127   0.229
  365   1HG1  ILE  48          2HG1      ILE  48   0.648   2.089  -2.426
  366   2HG1  ILE  48          1HG1      ILE  48   2.235   1.662  -1.796
  367   1HG2  ILE  48          1HG2      ILE  48  -0.237   4.490  -1.669
  368   2HG2  ILE  48          2HG2      ILE  48  -0.123   4.643   0.081
  369   3HG2  ILE  48          3HG2      ILE  48  -0.828   3.195  -0.633
  370   1HD1  ILE  48          1HD1      ILE  48   1.370   0.388  -0.107
  371   2HD1  ILE  48          2HD1      ILE  48   0.174   0.125  -1.376
  372   3HD1  ILE  48          3HD1      ILE  48  -0.154   1.268  -0.077
  373    HA   PRO  49           HA       PRO  49   6.242   3.500  -0.357
  374   1HB   PRO  49          2HB       PRO  49   6.499   3.615   2.342
  375   2HB   PRO  49          1HB       PRO  49   6.459   5.055   1.321
  376   1HG   PRO  49          2HG       PRO  49   4.424   3.999   3.132
  377   2HG   PRO  49          1HG       PRO  49   4.625   5.631   2.527
  378   1HD   PRO  49          2HD       PRO  49   2.797   3.610   1.628
  379   2HD   PRO  49          1HD       PRO  49   2.995   5.246   0.989
  380    H    SER  50           H        SER  50   6.978   1.536  -0.545
  381    HA   SER  50           HA       SER  50   5.607  -0.789  -0.019
  382   1HB   SER  50          2HB       SER  50   7.720  -0.334  -1.481
  383   2HB   SER  50          1HB       SER  50   8.601  -0.803  -0.027
  384    HG   SER  50           HG       SER  50   8.171  -2.581  -1.422
  385    H    ASN  51           H        ASN  51   7.849   0.824   2.114
  386    HA   ASN  51           HA       ASN  51   7.997  -1.305   4.045
  387   1HB   ASN  51          2HB       ASN  51   9.425   1.019   3.539
  388   2HB   ASN  51          1HB       ASN  51   8.580   1.381   5.039
  389   1HD2  ASN  51          1HD2      ASN  51  11.442   0.735   4.234
  390   2HD2  ASN  51          2HD2      ASN  51  11.931  -0.453   5.388
  391    H    TYR  52           H        TYR  52   5.656   1.040   3.276
  392    HA   TYR  52           HA       TYR  52   4.599   1.189   5.993
  393   1HB   TYR  52          2HB       TYR  52   4.207   2.657   3.475
  394   2HB   TYR  52          1HB       TYR  52   2.792   2.534   4.506
  395    HD1  TYR  52           HD1      TYR  52   2.538   4.710   5.361
  396    HD2  TYR  52           HD2      TYR  52   6.368   2.885   5.505
  397    HE1  TYR  52           HE1      TYR  52   3.346   6.570   6.724
  398    HE2  TYR  52           HE2      TYR  52   7.198   4.749   6.878
  399    HH   TYR  52           HH       TYR  52   5.046   7.245   8.093
  400    H    ILE  53           H        ILE  53   4.349  -1.029   3.571
  401    HA   ILE  53           HA       ILE  53   1.565  -1.662   4.302
  402    HB   ILE  53           HB       ILE  53   1.690  -3.126   2.157
  403   1HG1  ILE  53          2HG1      ILE  53   3.487  -0.968   1.142
  404   2HG1  ILE  53          1HG1      ILE  53   4.204  -2.360   1.946
  405   1HG2  ILE  53          1HG2      ILE  53   0.867  -1.206   0.814
  406   2HG2  ILE  53          2HG2      ILE  53   1.387  -0.134   2.114
  407   3HG2  ILE  53          3HG2      ILE  53   0.128  -1.333   2.409
  408   1HD1  ILE  53          1HD1      ILE  53   4.245  -2.960  -0.282
  409   2HD1  ILE  53          2HD1      ILE  53   2.666  -2.247  -0.609
  410   3HD1  ILE  53          3HD1      ILE  53   2.784  -3.751   0.306
  411    H    GLU  54           H        GLU  54   1.399  -3.279   5.622
  412    HA   GLU  54           HA       GLU  54   3.546  -5.238   5.883
  413   1HB   GLU  54          2HB       GLU  54   2.259  -4.021   7.824
  414   2HB   GLU  54          1HB       GLU  54   1.078  -5.299   7.571
  415   1HG   GLU  54          2HG       GLU  54   3.399  -6.715   7.682
  416   2HG   GLU  54          1HG       GLU  54   3.731  -5.397   8.801
  417    H    MET  55           H        MET  55   2.152  -7.464   6.783
  418    HA   MET  55           HA       MET  55   0.503  -8.232   4.481
  419   1HB   MET  55          2HB       MET  55   2.853  -9.134   4.367
  420   2HB   MET  55          1HB       MET  55   2.516 -10.028   5.844
  421   1HG   MET  55          2HG       MET  55   1.253 -11.564   4.791
  422   2HG   MET  55          1HG       MET  55   0.584 -10.395   3.654
  423   1HE   MET  55          1HE       MET  55   1.200  -9.824   1.688
  424   2HE   MET  55          2HE       MET  55   1.396 -11.343   0.813
  425   3HE   MET  55          3HE       MET  55   2.689 -10.142   0.798
  426    H    LYS  56           H        LYS  56  -1.157  -9.720   4.889
  427    HA   LYS  56           HA       LYS  56  -1.506 -10.773   7.549
  428   1HB   LYS  56          2HB       LYS  56  -3.381  -9.605   8.228
  429   2HB   LYS  56          1HB       LYS  56  -2.423  -8.347   7.473
  430   1HG   LYS  56          2HG       LYS  56  -4.356  -7.834   6.476
  431   2HG   LYS  56          1HG       LYS  56  -3.921  -9.134   5.370
  432   1HD   LYS  56          2HD       LYS  56  -6.233  -9.339   6.129
  433   2HD   LYS  56          1HD       LYS  56  -5.263 -10.693   6.692
  434   1HE   LYS  56          2HE       LYS  56  -6.775  -9.833   8.431
  435   2HE   LYS  56          1HE       LYS  56  -5.082  -9.703   8.893
  436   1HZ   LYS  56          1HZ       LYS  56  -6.901  -7.699   8.990
  437   2HZ   LYS  56          2HZ       LYS  56  -6.074  -7.363   7.555
  438   3HZ   LYS  56          3HZ       LYS  56  -5.221  -7.495   9.010
  439    H    ASN  57           H        ASN  57  -3.843 -11.860   7.629
  440    HA   ASN  57           HA       ASN  57  -5.154 -13.554   6.853
  441   1HB   ASN  57          2HB       ASN  57  -4.985 -11.694   4.661
  442   2HB   ASN  57          1HB       ASN  57  -5.015 -13.339   4.033
  443   1HD2  ASN  57          1HD2      ASN  57  -6.617 -14.664   5.709
  444   2HD2  ASN  57          2HD2      ASN  57  -8.208 -13.992   5.711
  445    H    HIS  58           H        HIS  58  -4.914 -15.228   4.558
  446    HA   HIS  58           HA       HIS  58  -3.832 -17.043   3.880
  447   1HB   HIS  58          2HB       HIS  58  -2.214 -14.819   3.354
  448   2HB   HIS  58          1HB       HIS  58  -1.124 -16.088   3.884
  449    HD1  HIS  58           HD1      HIS  58  -2.565 -14.836   0.916
  450    HD2  HIS  58           HD2      HIS  58  -1.833 -18.652   2.390
  451    HE1  HIS  58           HE1      HIS  58  -2.602 -16.351  -1.091
  452    HE2  HIS  58           HE2      HIS  58  -2.266 -18.667  -0.160
  453    H    ASP  59           H        ASP  59  -0.727 -16.526   5.217
  454    HA   ASP  59           HA       ASP  59   0.471 -17.528   6.849
  455   1HB   ASP  59          2HB       ASP  59  -1.442 -16.459   8.243
  456   2HB   ASP  59          1HB       ASP  59  -2.044 -18.108   8.382
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1  -4.335  -8.819  -4.497
    2   2H    MET   1          2H        MET   1  -3.796 -10.399  -4.108
    3   3H    MET   1          3H        MET   1  -3.407  -9.711  -5.618
    4    HA   MET   1           HA       MET   1  -1.839  -9.725  -3.451
    5   1HB   MET   1          2HB       MET   1  -1.309  -7.385  -5.074
    6   2HB   MET   1          1HB       MET   1  -0.396  -8.874  -4.952
    7   1HG   MET   1          2HG       MET   1  -2.616  -9.495  -6.534
    8   2HG   MET   1          1HG       MET   1  -2.080  -7.910  -7.073
    9   1HE   MET   1          1HE       MET   1  -1.571  -8.387  -9.219
   10   2HE   MET   1          2HE       MET   1  -1.620 -10.127  -9.501
   11   3HE   MET   1          3HE       MET   1  -0.142  -9.222  -9.827
   12    H    GLU   2           H        GLU   2  -3.326  -9.078  -1.665
   13    HA   GLU   2           HA       GLU   2  -3.395  -6.152  -1.388
   14   1HB   GLU   2          2HB       GLU   2  -5.217  -6.564   0.290
   15   2HB   GLU   2          1HB       GLU   2  -5.623  -7.003  -1.364
   16   1HG   GLU   2          2HG       GLU   2  -5.927  -9.140  -0.837
   17   2HG   GLU   2          1HG       GLU   2  -4.464  -9.200   0.142
   18    H    ALA   3           H        ALA   3  -2.445  -5.187   0.280
   19    HA   ALA   3           HA       ALA   3  -1.225  -6.835   2.429
   20   1HB   ALA   3          1HB       ALA   3  -0.260  -4.170   1.399
   21   2HB   ALA   3          2HB       ALA   3   0.391  -5.716   0.876
   22   3HB   ALA   3          3HB       ALA   3   0.541  -5.222   2.564
   23    H    ILE   4           H        ILE   4  -0.536  -5.167   4.258
   24    HA   ILE   4           HA       ILE   4  -2.927  -3.614   4.909
   25    HB   ILE   4           HB       ILE   4  -2.726  -6.004   5.980
   26   1HG1  ILE   4          2HG1      ILE   4  -4.102  -3.644   6.583
   27   2HG1  ILE   4          1HG1      ILE   4  -4.543  -5.282   7.025
   28   1HG2  ILE   4          1HG2      ILE   4  -0.980  -4.407   7.845
   29   2HG2  ILE   4          2HG2      ILE   4  -0.566  -5.872   6.956
   30   3HG2  ILE   4          3HG2      ILE   4  -1.750  -5.939   8.260
   31   1HD1  ILE   4          1HD1      ILE   4  -3.872  -5.020   9.188
   32   2HD1  ILE   4          2HD1      ILE   4  -4.375  -3.393   8.795
   33   3HD1  ILE   4          3HD1      ILE   4  -2.668  -3.793   8.793
   34    H    ALA   5           H        ALA   5  -2.617  -1.759   6.065
   35    HA   ALA   5           HA       ALA   5  -0.006  -0.591   6.076
   36   1HB   ALA   5          1HB       ALA   5  -2.592   0.401   7.258
   37   2HB   ALA   5          2HB       ALA   5  -1.993   0.739   5.635
   38   3HB   ALA   5          3HB       ALA   5  -1.127   1.359   7.041
   39    H    LYS   6           H        LYS   6   1.480  -0.517   7.585
   40    HA   LYS   6           HA       LYS   6   0.913  -1.642  10.232
   41   1HB   LYS   6          2HB       LYS   6   2.989  -2.267   8.909
   42   2HB   LYS   6          1HB       LYS   6   3.572  -0.636   9.213
   43   1HG   LYS   6          2HG       LYS   6   4.402  -1.314  11.147
   44   2HG   LYS   6          1HG       LYS   6   2.771  -1.694  11.701
   45   1HD   LYS   6          2HD       LYS   6   4.333  -3.607   9.996
   46   2HD   LYS   6          1HD       LYS   6   4.532  -3.564  11.749
   47   1HE   LYS   6          2HE       LYS   6   1.759  -3.669  10.741
   48   2HE   LYS   6          1HE       LYS   6   2.736  -5.115  10.491
   49   1HZ   LYS   6          1HZ       LYS   6   2.956  -4.021  13.143
   50   2HZ   LYS   6          2HZ       LYS   6   2.669  -5.614  12.650
   51   3HZ   LYS   6          3HZ       LYS   6   1.386  -4.519  12.753
   52    H    HIS   7           H        HIS   7   1.509   1.379   8.670
   53    HA   HIS   7           HA       HIS   7   0.865   2.797  11.127
   54   1HB   HIS   7          2HB       HIS   7   3.463   2.597  10.710
   55   2HB   HIS   7          1HB       HIS   7   3.156   3.879   9.544
   56    HD1  HIS   7           HD1      HIS   7   1.104   3.917  12.623
   57    HD2  HIS   7           HD2      HIS   7   4.620   5.646  11.239
   58    HE1  HIS   7           HE1      HIS   7   1.610   5.781  14.228
   59    HE2  HIS   7           HE2      HIS   7   3.690   6.874  13.317
   60    H    ASP   8           H        ASP   8   0.884   5.238  10.560
   61    HA   ASP   8           HA       ASP   8  -1.098   5.496   8.495
   62   1HB   ASP   8          2HB       ASP   8  -0.118   7.212  10.737
   63   2HB   ASP   8          1HB       ASP   8  -1.053   7.951   9.441
   64    H    PHE   9           H        PHE   9  -1.054   6.780   6.675
   65    HA   PHE   9           HA       PHE   9   1.410   8.243   6.128
   66   1HB   PHE   9          2HB       PHE   9   1.503   5.899   5.082
   67   2HB   PHE   9          1HB       PHE   9   0.239   6.463   3.993
   68    HD1  PHE   9           HD1      PHE   9   3.759   6.672   4.876
   69    HD2  PHE   9           HD2      PHE   9   0.697   8.217   2.359
   70    HE1  PHE   9           HE1      PHE   9   5.469   7.676   3.419
   71    HE2  PHE   9           HE2      PHE   9   2.402   9.220   0.894
   72    HZ   PHE   9           HZ       PHE   9   4.792   8.949   1.425
   73    H    SER  10           H        SER  10   0.935  10.239   5.433
   74    HA   SER  10           HA       SER  10  -1.595  10.634   3.960
   75   1HB   SER  10          2HB       SER  10  -0.509  13.071   5.151
   76   2HB   SER  10          1HB       SER  10  -2.141  12.410   5.254
   77    HG   SER  10           HG       SER  10  -1.214  12.442   7.301
   78    H    ALA  11           H        ALA  11  -1.352  10.793   2.038
   79    HA   ALA  11           HA       ALA  11   0.934  11.267   0.554
   80   1HB   ALA  11          1HB       ALA  11  -1.997  11.310  -0.012
   81   2HB   ALA  11          2HB       ALA  11  -0.771  10.148  -0.520
   82   3HB   ALA  11          3HB       ALA  11  -0.843  11.741  -1.275
   83    H    THR  12           H        THR  12   1.736  12.993  -0.567
   84    HA   THR  12           HA       THR  12   0.683  15.645   0.193
   85    HB   THR  12           HB       THR  12   3.549  15.139  -0.563
   86    HG1  THR  12           HG1      THR  12   3.898  15.133   1.751
   87   1HG2  THR  12          1HG2      THR  12   2.187  17.473  -0.141
   88   2HG2  THR  12          2HG2      THR  12   3.933  17.260  -0.016
   89   3HG2  THR  12          3HG2      THR  12   2.926  17.162   1.429
   90    H    ALA  13           H        ALA  13   1.131  13.609  -2.393
   91    HA   ALA  13           HA       ALA  13   1.034  15.846  -4.311
   92   1HB   ALA  13          1HB       ALA  13   2.435  13.192  -4.606
   93   2HB   ALA  13          2HB       ALA  13   3.157  14.802  -4.622
   94   3HB   ALA  13          3HB       ALA  13   2.122  14.287  -5.954
   95    H    ASP  14           H        ASP  14  -0.106  15.398  -6.261
   96    HA   ASP  14           HA       ASP  14  -2.645  14.268  -5.822
   97   1HB   ASP  14          2HB       ASP  14  -1.389  15.119  -8.429
   98   2HB   ASP  14          1HB       ASP  14  -3.107  14.854  -8.148
   99    H    ASP  15           H        ASP  15   0.220  12.877  -7.276
  100    HA   ASP  15           HA       ASP  15  -1.376  10.772  -8.478
  101   1HB   ASP  15          2HB       ASP  15   1.539  11.493  -8.660
  102   2HB   ASP  15          1HB       ASP  15   0.915   9.983  -9.320
  103    H    GLU  16           H        GLU  16  -0.402  11.201  -5.510
  104    HA   GLU  16           HA       GLU  16   0.441   8.429  -4.973
  105   1HB   GLU  16          2HB       GLU  16   1.240  10.956  -3.909
  106   2HB   GLU  16          1HB       GLU  16   0.530   9.992  -2.621
  107   1HG   GLU  16          2HG       GLU  16   2.220   8.272  -4.061
  108   2HG   GLU  16          1HG       GLU  16   3.104   9.780  -3.839
  109    H    LEU  17           H        LEU  17  -0.412   7.500  -2.924
  110    HA   LEU  17           HA       LEU  17  -3.249   8.239  -2.592
  111   1HB   LEU  17          2HB       LEU  17  -3.859   6.181  -3.122
  112   2HB   LEU  17          1HB       LEU  17  -2.198   5.833  -3.526
  113    HG   LEU  17           HG       LEU  17  -2.183   5.350  -0.844
  114   1HD1  LEU  17          1HD1      LEU  17  -4.930   5.413  -1.628
  115   2HD1  LEU  17          2HD1      LEU  17  -4.235   5.041  -0.055
  116   3HD1  LEU  17          3HD1      LEU  17  -4.480   3.756  -1.230
  117   1HD2  LEU  17          1HD2      LEU  17  -1.980   3.915  -3.274
  118   2HD2  LEU  17          2HD2      LEU  17  -3.003   2.980  -2.186
  119   3HD2  LEU  17          3HD2      LEU  17  -1.395   3.466  -1.680
  120    H    SER  18           H        SER  18  -4.114   8.326  -0.531
  121    HA   SER  18           HA       SER  18  -2.168   8.346   1.655
  122   1HB   SER  18          2HB       SER  18  -3.903   9.456   2.972
  123   2HB   SER  18          1HB       SER  18  -3.691  10.288   1.432
  124    HG   SER  18           HG       SER  18  -5.915   9.273   2.428
  125    H    PHE  19           H        PHE  19  -2.578   7.191   3.661
  126    HA   PHE  19           HA       PHE  19  -4.730   5.318   3.824
  127   1HB   PHE  19          2HB       PHE  19  -3.184   3.289   3.857
  128   2HB   PHE  19          1HB       PHE  19  -3.530   3.992   2.280
  129    HD1  PHE  19           HD1      PHE  19  -1.817   5.507   1.232
  130    HD2  PHE  19           HD2      PHE  19  -0.987   3.109   4.649
  131    HE1  PHE  19           HE1      PHE  19   0.590   5.742   0.809
  132    HE2  PHE  19           HE2      PHE  19   1.427   3.341   4.228
  133    HZ   PHE  19           HZ       PHE  19   2.200   4.662   2.315
  134    H    ARG  20           H        ARG  20  -4.678   3.987   5.758
  135    HA   ARG  20           HA       ARG  20  -2.905   5.078   7.842
  136   1HB   ARG  20          2HB       ARG  20  -4.813   4.984   9.417
  137   2HB   ARG  20          1HB       ARG  20  -5.082   6.107   8.092
  138   1HG   ARG  20          2HG       ARG  20  -6.700   4.793   7.124
  139   2HG   ARG  20          1HG       ARG  20  -6.096   3.315   7.877
  140   1HD   ARG  20          2HD       ARG  20  -6.776   4.590  10.087
  141   2HD   ARG  20          1HD       ARG  20  -7.861   5.436   8.987
  142    HE   ARG  20           HE       ARG  20  -8.566   3.042   8.356
  143   1HH1  ARG  20          1HH1      ARG  20  -7.623   4.075  11.560
  144   2HH1  ARG  20          2HH1      ARG  20  -8.589   2.885  12.361
  145   1HH2  ARG  20          1HH2      ARG  20  -9.836   1.478   9.417
  146   2HH2  ARG  20          2HH2      ARG  20  -9.845   1.411  11.147
  147    H    LYS  21           H        LYS  21  -2.656   3.753   9.729
  148    HA   LYS  21           HA       LYS  21  -1.881   1.134   9.197
  149   1HB   LYS  21          2HB       LYS  21  -1.632   0.861  11.604
  150   2HB   LYS  21          1HB       LYS  21  -1.025   2.425  11.082
  151   1HG   LYS  21          2HG       LYS  21  -3.476   3.185  11.727
  152   2HG   LYS  21          1HG       LYS  21  -3.372   1.766  12.770
  153   1HD   LYS  21          2HD       LYS  21  -1.023   3.541  12.806
  154   2HD   LYS  21          1HD       LYS  21  -2.507   4.234  13.461
  155   1HE   LYS  21          2HE       LYS  21  -1.240   1.632  14.311
  156   2HE   LYS  21          1HE       LYS  21  -1.184   3.151  15.203
  157   1HZ   LYS  21          1HZ       LYS  21  -3.245   1.181  15.126
  158   2HZ   LYS  21          2HZ       LYS  21  -3.849   2.713  14.741
  159   3HZ   LYS  21          3HZ       LYS  21  -3.030   2.469  16.201
  160    H    GLY  22           H        GLY  22  -2.821  -0.793   9.210
  161   1HA   GLY  22          2HA       GLY  22  -4.363  -2.417   9.924
  162   2HA   GLY  22          1HA       GLY  22  -5.437  -1.148  10.458
  163    H    GLN  23           H        GLN  23  -4.860   0.120   7.631
  164    HA   GLN  23           HA       GLN  23  -7.236  -0.943   6.470
  165   1HB   GLN  23          2HB       GLN  23  -5.273   1.174   5.718
  166   2HB   GLN  23          1HB       GLN  23  -6.423   0.595   4.521
  167   1HG   GLN  23          2HG       GLN  23  -7.725   1.181   7.027
  168   2HG   GLN  23          1HG       GLN  23  -6.834   2.572   6.416
  169   1HE2  GLN  23          1HE2      GLN  23  -8.645  -0.024   4.827
  170   2HE2  GLN  23          2HE2      GLN  23  -9.699   1.019   3.941
  171    H    ILE  24           H        ILE  24  -7.468  -1.690   4.243
  172    HA   ILE  24           HA       ILE  24  -5.293  -3.510   3.524
  173    HB   ILE  24           HB       ILE  24  -7.467  -4.506   3.919
  174   1HG1  ILE  24          2HG1      ILE  24  -5.859  -5.337   2.077
  175   2HG1  ILE  24          1HG1      ILE  24  -7.499  -5.968   2.097
  176   1HG2  ILE  24          1HG2      ILE  24  -8.627  -2.341   3.039
  177   2HG2  ILE  24          2HG2      ILE  24  -9.435  -3.903   2.936
  178   3HG2  ILE  24          3HG2      ILE  24  -8.652  -3.218   1.513
  179   1HD1  ILE  24          1HD1      ILE  24  -8.102  -4.812   0.192
  180   2HD1  ILE  24          2HD1      ILE  24  -6.435  -5.267  -0.141
  181   3HD1  ILE  24          3HD1      ILE  24  -6.811  -3.634   0.369
  182    H    LEU  25           H        LEU  25  -3.881  -2.584   2.167
  183    HA   LEU  25           HA       LEU  25  -4.878  -0.968  -0.067
  184   1HB   LEU  25          2HB       LEU  25  -2.137  -1.324   1.119
  185   2HB   LEU  25          1HB       LEU  25  -2.408  -0.476  -0.386
  186    HG   LEU  25           HG       LEU  25  -3.844   1.148   0.808
  187   1HD1  LEU  25          1HD1      LEU  25  -3.278   0.981   3.427
  188   2HD1  LEU  25          2HD1      LEU  25  -3.341  -0.734   3.023
  189   3HD1  LEU  25          3HD1      LEU  25  -4.732   0.298   2.702
  190   1HD2  LEU  25          1HD2      LEU  25  -1.462   1.591   0.444
  191   2HD2  LEU  25          2HD2      LEU  25  -1.088   0.822   1.986
  192   3HD2  LEU  25          3HD2      LEU  25  -2.040   2.302   1.947
  193    H    LYS  26           H        LYS  26  -4.920  -1.755  -2.111
  194    HA   LYS  26           HA       LYS  26  -3.693  -4.369  -2.621
  195   1HB   LYS  26          2HB       LYS  26  -5.878  -2.785  -3.901
  196   2HB   LYS  26          1HB       LYS  26  -5.011  -3.958  -4.881
  197   1HG   LYS  26          2HG       LYS  26  -6.216  -5.608  -4.037
  198   2HG   LYS  26          1HG       LYS  26  -5.728  -5.170  -2.399
  199   1HD   LYS  26          2HD       LYS  26  -7.850  -4.613  -2.025
  200   2HD   LYS  26          1HD       LYS  26  -7.598  -3.238  -3.101
  201   1HE   LYS  26          2HE       LYS  26  -8.050  -5.354  -4.823
  202   2HE   LYS  26          1HE       LYS  26  -9.161  -5.655  -3.488
  203   1HZ   LYS  26          1HZ       LYS  26 -10.363  -4.314  -4.920
  204   2HZ   LYS  26          2HZ       LYS  26  -9.043  -3.323  -5.292
  205   3HZ   LYS  26          3HZ       LYS  26  -9.786  -3.209  -3.776
  206    H    ILE  27           H        ILE  27  -1.837  -4.572  -3.733
  207    HA   ILE  27           HA       ILE  27  -0.654  -2.243  -4.992
  208    HB   ILE  27           HB       ILE  27   1.274  -3.758  -5.413
  209   1HG1  ILE  27          2HG1      ILE  27  -0.662  -5.746  -4.782
  210   2HG1  ILE  27          1HG1      ILE  27   1.002  -5.974  -5.283
  211   1HG2  ILE  27          1HG2      ILE  27   0.527  -2.429  -3.149
  212   2HG2  ILE  27          2HG2      ILE  27   2.117  -3.126  -3.448
  213   3HG2  ILE  27          3HG2      ILE  27   0.920  -4.029  -2.524
  214   1HD1  ILE  27          1HD1      ILE  27   1.369  -6.960  -3.340
  215   2HD1  ILE  27          2HD1      ILE  27  -0.236  -6.520  -2.756
  216   3HD1  ILE  27          3HD1      ILE  27   1.115  -5.412  -2.540
  217    H    LEU  28           H        LEU  28  -0.119  -2.044  -7.156
  218    HA   LEU  28           HA       LEU  28  -1.482  -3.934  -8.954
  219   1HB   LEU  28          2HB       LEU  28  -1.995  -1.303  -8.776
  220   2HB   LEU  28          1HB       LEU  28  -0.701  -1.256  -9.955
  221    HG   LEU  28           HG       LEU  28  -2.405  -3.248 -10.897
  222   1HD1  LEU  28          1HD1      LEU  28  -4.443  -2.855 -10.102
  223   2HD1  LEU  28          2HD1      LEU  28  -4.397  -1.277 -10.889
  224   3HD1  LEU  28          3HD1      LEU  28  -3.878  -1.441  -9.213
  225   1HD2  LEU  28          1HD2      LEU  28  -1.386  -0.671 -11.674
  226   2HD2  LEU  28          2HD2      LEU  28  -3.048  -0.869 -12.227
  227   3HD2  LEU  28          3HD2      LEU  28  -1.820  -2.052 -12.679
  228    H    ASN  29           H        ASN  29   1.469  -2.094  -8.431
  229    HA   ASN  29           HA       ASN  29   2.894  -3.962 -10.153
  230   1HB   ASN  29          2HB       ASN  29   2.294  -2.079 -11.637
  231   2HB   ASN  29          1HB       ASN  29   3.113  -0.970 -10.545
  232   1HD2  ASN  29          1HD2      ASN  29   3.747  -3.997 -12.288
  233   2HD2  ASN  29          2HD2      ASN  29   5.346  -3.571 -12.788
  234    H    MET  30           H        MET  30   4.879  -4.384  -9.504
  235    HA   MET  30           HA       MET  30   6.038  -2.832  -7.302
  236   1HB   MET  30          2HB       MET  30   6.756  -4.925  -6.245
  237   2HB   MET  30          1HB       MET  30   5.013  -4.911  -6.440
  238   1HG   MET  30          2HG       MET  30   6.835  -6.227  -8.403
  239   2HG   MET  30          1HG       MET  30   6.240  -7.065  -6.978
  240   1HE   MET  30          1HE       MET  30   2.356  -6.744  -7.624
  241   2HE   MET  30          2HE       MET  30   3.106  -5.155  -7.478
  242   3HE   MET  30          3HE       MET  30   3.606  -6.469  -6.412
  243    H    GLU  31           H        GLU  31   8.236  -4.953  -7.352
  244    HA   GLU  31           HA       GLU  31  10.377  -4.984  -8.072
  245   1HB   GLU  31          2HB       GLU  31   9.260  -5.491 -10.784
  246   2HB   GLU  31          1HB       GLU  31  10.566  -6.303  -9.939
  247   1HG   GLU  31          2HG       GLU  31   9.190  -7.845  -9.147
  248   2HG   GLU  31          1HG       GLU  31   8.088  -6.628  -8.534
  249    H    ASP  32           H        ASP  32   8.693  -3.067 -10.641
  250    HA   ASP  32           HA       ASP  32  10.934  -2.099 -11.841
  251   1HB   ASP  32          2HB       ASP  32   8.328  -1.829 -12.241
  252   2HB   ASP  32          1HB       ASP  32   8.631  -0.256 -11.512
  253    H    ASP  33           H        ASP  33   9.165  -0.522  -9.159
  254    HA   ASP  33           HA       ASP  33  11.228   1.511  -9.005
  255   1HB   ASP  33          2HB       ASP  33   8.463   1.450  -8.394
  256   2HB   ASP  33          1HB       ASP  33   9.293   1.656  -6.854
  257    H    SER  34           H        SER  34   9.592  -0.719  -6.780
  258    HA   SER  34           HA       SER  34  10.479  -2.250  -5.302
  259   1HB   SER  34          2HB       SER  34  13.037  -0.635  -5.560
  260   2HB   SER  34          1HB       SER  34  12.821  -1.853  -4.309
  261    HG   SER  34           HG       SER  34  13.704  -2.323  -6.654
  262    H    ASN  35           H        ASN  35  11.755   1.062  -4.562
  263    HA   ASN  35           HA       ASN  35  10.764   0.798  -1.902
  264   1HB   ASN  35          2HB       ASN  35  12.816   2.100  -2.534
  265   2HB   ASN  35          1HB       ASN  35  11.751   3.339  -3.169
  266   1HD2  ASN  35          1HD2      ASN  35  11.373   1.370  -0.278
  267   2HD2  ASN  35          2HD2      ASN  35  11.377   2.689   0.831
  268    H    TRP  36           H        TRP  36   9.081   1.459  -4.658
  269    HA   TRP  36           HA       TRP  36   6.978   2.757  -3.096
  270   1HB   TRP  36          2HB       TRP  36   7.808   3.587  -5.885
  271   2HB   TRP  36          1HB       TRP  36   6.431   4.223  -4.993
  272    HD1  TRP  36           HD1      TRP  36   6.881   6.162  -3.305
  273    HE1  TRP  36           HE1      TRP  36   8.971   7.520  -2.663
  274    HE3  TRP  36           HE3      TRP  36  10.440   3.303  -5.599
  275    HZ2  TRP  36           HZ2      TRP  36  11.762   7.395  -3.075
  276    HZ3  TRP  36           HZ3      TRP  36  12.798   3.991  -5.429
  277    HH2  TRP  36           HH2      TRP  36  13.442   5.994  -4.193
  278    H    TYR  37           H        TYR  37   4.990   1.945  -3.490
  279    HA   TYR  37           HA       TYR  37   4.624   0.161  -5.794
  280   1HB   TYR  37          2HB       TYR  37   3.876  -0.408  -2.914
  281   2HB   TYR  37          1HB       TYR  37   3.310  -1.359  -4.284
  282    HD1  TYR  37           HD1      TYR  37   5.606  -1.341  -1.727
  283    HD2  TYR  37           HD2      TYR  37   5.397  -2.051  -5.910
  284    HE1  TYR  37           HE1      TYR  37   7.623  -2.747  -1.591
  285    HE2  TYR  37           HE2      TYR  37   7.421  -3.445  -5.779
  286    HH   TYR  37           HH       TYR  37   9.407  -3.677  -4.260
  287    H    ARG  38           H        ARG  38   2.481   0.018  -6.569
  288    HA   ARG  38           HA       ARG  38   0.881   2.348  -5.867
  289   1HB   ARG  38          2HB       ARG  38   1.412   1.877  -8.246
  290   2HB   ARG  38          1HB       ARG  38   0.507   0.375  -8.123
  291   1HG   ARG  38          2HG       ARG  38  -1.474   1.851  -7.437
  292   2HG   ARG  38          1HG       ARG  38  -0.508   3.190  -8.063
  293   1HD   ARG  38          2HD       ARG  38  -0.293   1.374 -10.078
  294   2HD   ARG  38          1HD       ARG  38  -1.924   1.052  -9.496
  295    HE   ARG  38           HE       ARG  38  -2.428   3.399  -9.922
  296   1HH1  ARG  38          1HH1      ARG  38   0.464   2.102 -11.410
  297   2HH1  ARG  38          2HH1      ARG  38   0.498   3.293 -12.664
  298   1HH2  ARG  38          1HH2      ARG  38  -2.377   4.960 -11.580
  299   2HH2  ARG  38          2HH2      ARG  38  -1.111   4.913 -12.762
  300    H    ALA  39           H        ALA  39  -0.991   2.271  -4.832
  301    HA   ALA  39           HA       ALA  39  -2.174  -0.371  -4.338
  302   1HB   ALA  39          1HB       ALA  39  -2.533   0.143  -2.045
  303   2HB   ALA  39          2HB       ALA  39  -1.973   1.785  -2.275
  304   3HB   ALA  39          3HB       ALA  39  -0.840   0.458  -2.412
  305    H    GLU  40           H        GLU  40  -4.377  -0.326  -3.536
  306    HA   GLU  40           HA       GLU  40  -5.958   1.950  -4.525
  307   1HB   GLU  40          2HB       GLU  40  -5.876  -0.357  -5.885
  308   2HB   GLU  40          1HB       GLU  40  -7.085  -0.804  -4.690
  309   1HG   GLU  40          2HG       GLU  40  -7.530   1.791  -5.967
  310   2HG   GLU  40          1HG       GLU  40  -7.601   0.406  -7.053
  311    H    LEU  41           H        LEU  41  -7.497   2.650  -3.155
  312    HA   LEU  41           HA       LEU  41  -8.559   0.907  -1.085
  313   1HB   LEU  41          2HB       LEU  41  -6.466   2.326  -0.312
  314   2HB   LEU  41          1HB       LEU  41  -7.646   3.620  -0.222
  315    HG   LEU  41           HG       LEU  41  -8.360   1.081   1.136
  316   1HD1  LEU  41          1HD1      LEU  41  -6.164   2.912   2.072
  317   2HD1  LEU  41          2HD1      LEU  41  -6.109   1.165   1.846
  318   3HD1  LEU  41          3HD1      LEU  41  -7.065   1.854   3.155
  319   1HD2  LEU  41          1HD2      LEU  41  -9.721   3.239   1.033
  320   2HD2  LEU  41          2HD2      LEU  41  -8.529   3.902   2.152
  321   3HD2  LEU  41          3HD2      LEU  41  -9.493   2.500   2.618
  322    H    ASP  42           H        ASP  42 -10.669   1.253  -0.832
  323    HA   ASP  42           HA       ASP  42 -12.768   2.053  -1.201
  324   1HB   ASP  42          2HB       ASP  42 -11.191   4.444  -0.474
  325   2HB   ASP  42          1HB       ASP  42 -12.730   4.759  -1.269
  326    H    GLY  43           H        GLY  43 -11.116   1.455  -3.503
  327   1HA   GLY  43          2HA       GLY  43 -11.535   1.479  -5.792
  328   2HA   GLY  43          1HA       GLY  43 -12.768   2.700  -5.516
  329    H    LYS  44           H        LYS  44  -9.692   3.359  -4.171
  330    HA   LYS  44           HA       LYS  44  -9.088   5.207  -6.388
  331   1HB   LYS  44          2HB       LYS  44  -8.991   5.527  -3.406
  332   2HB   LYS  44          1HB       LYS  44  -7.865   6.439  -4.400
  333   1HG   LYS  44          2HG       LYS  44 -10.864   6.519  -4.669
  334   2HG   LYS  44          1HG       LYS  44  -9.882   7.717  -3.825
  335   1HD   LYS  44          2HD       LYS  44  -9.029   7.144  -6.578
  336   2HD   LYS  44          1HD       LYS  44 -10.626   7.882  -6.436
  337   1HE   LYS  44          2HE       LYS  44  -9.210   9.407  -4.706
  338   2HE   LYS  44          1HE       LYS  44  -7.960   9.005  -5.883
  339   1HZ   LYS  44          1HZ       LYS  44  -8.905  10.284  -7.440
  340   2HZ   LYS  44          2HZ       LYS  44  -9.691  11.033  -6.143
  341   3HZ   LYS  44          3HZ       LYS  44 -10.483   9.829  -7.029
  342    H    GLU  45           H        GLU  45  -6.964   5.239  -7.127
  343    HA   GLU  45           HA       GLU  45  -5.154   3.269  -5.900
  344   1HB   GLU  45          2HB       GLU  45  -3.956   3.503  -8.209
  345   2HB   GLU  45          1HB       GLU  45  -5.402   2.515  -8.077
  346   1HG   GLU  45          2HG       GLU  45  -5.878   5.335  -8.755
  347   2HG   GLU  45          1HG       GLU  45  -5.002   4.404  -9.969
  348    H    GLY  46           H        GLY  46  -2.731   3.859  -6.415
  349   1HA   GLY  46          2HA       GLY  46  -1.784   6.434  -6.682
  350   2HA   GLY  46          1HA       GLY  46  -2.281   6.289  -5.012
  351    H    LEU  47           H        LEU  47   0.156   6.816  -4.954
  352    HA   LEU  47           HA       LEU  47   1.772   4.345  -5.063
  353   1HB   LEU  47          2HB       LEU  47   2.301   7.152  -5.700
  354   2HB   LEU  47          1HB       LEU  47   3.499   6.478  -4.612
  355    HG   LEU  47           HG       LEU  47   3.827   4.608  -6.259
  356   1HD1  LEU  47          1HD1      LEU  47   2.348   6.381  -8.180
  357   2HD1  LEU  47          2HD1      LEU  47   1.603   5.000  -7.376
  358   3HD1  LEU  47          3HD1      LEU  47   2.980   4.757  -8.451
  359   1HD2  LEU  47          1HD2      LEU  47   4.862   7.192  -6.224
  360   2HD2  LEU  47          2HD2      LEU  47   4.524   6.857  -7.923
  361   3HD2  LEU  47          3HD2      LEU  47   5.563   5.771  -7.000
  362    H    ILE  48           H        ILE  48   3.029   3.759  -3.239
  363    HA   ILE  48           HA       ILE  48   2.777   5.340  -0.809
  364    HB   ILE  48           HB       ILE  48   1.244   4.109   0.208
  365   1HG1  ILE  48          2HG1      ILE  48   2.544   1.479  -0.409
  366   2HG1  ILE  48          1HG1      ILE  48   3.202   2.566   0.806
  367   1HG2  ILE  48          1HG2      ILE  48   0.734   1.902  -1.545
  368   2HG2  ILE  48          2HG2      ILE  48   0.833   3.420  -2.428
  369   3HG2  ILE  48          3HG2      ILE  48  -0.286   3.255  -1.085
  370   1HD1  ILE  48          1HD1      ILE  48   0.432   1.392   0.827
  371   2HD1  ILE  48          2HD1      ILE  48   1.116   2.450   2.045
  372   3HD1  ILE  48          3HD1      ILE  48   1.789   0.866   1.800
  373    HA   PRO  49           HA       PRO  49   6.826   3.734  -0.146
  374   1HB   PRO  49          2HB       PRO  49   7.167   3.952   2.528
  375   2HB   PRO  49          1HB       PRO  49   7.021   5.373   1.487
  376   1HG   PRO  49          2HG       PRO  49   4.992   4.102   3.249
  377   2HG   PRO  49          1HG       PRO  49   5.277   5.812   2.918
  378   1HD   PRO  49          2HD       PRO  49   3.302   4.256   1.766
  379   2HD   PRO  49          1HD       PRO  49   3.900   5.788   1.109
  380    H    SER  50           H        SER  50   7.491   1.754  -0.342
  381    HA   SER  50           HA       SER  50   6.089  -0.532   0.329
  382   1HB   SER  50          2HB       SER  50   7.917  -1.757  -0.456
  383   2HB   SER  50          1HB       SER  50   8.050  -0.222  -1.312
  384    HG   SER  50           HG       SER  50   9.900   0.070  -0.376
  385    H    ASN  51           H        ASN  51   8.331   1.163   2.340
  386    HA   ASN  51           HA       ASN  51   8.748  -0.961   4.235
  387   1HB   ASN  51          2HB       ASN  51   9.187   1.612   5.437
  388   2HB   ASN  51          1HB       ASN  51  10.364   0.386   4.999
  389   1HD2  ASN  51          1HD2      ASN  51  11.912   1.131   3.773
  390   2HD2  ASN  51          2HD2      ASN  51  11.773   2.378   2.586
  391    H    TYR  52           H        TYR  52   6.118   1.084   3.635
  392    HA   TYR  52           HA       TYR  52   5.202   1.021   6.423
  393   1HB   TYR  52          2HB       TYR  52   4.599   2.667   4.058
  394   2HB   TYR  52          1HB       TYR  52   3.231   2.320   5.108
  395    HD1  TYR  52           HD1      TYR  52   4.278   2.389   7.775
  396    HD2  TYR  52           HD2      TYR  52   5.340   4.829   4.474
  397    HE1  TYR  52           HE1      TYR  52   5.008   4.165   9.313
  398    HE2  TYR  52           HE2      TYR  52   6.064   6.606   5.982
  399    HH   TYR  52           HH       TYR  52   6.409   7.194   8.103
  400    H    ILE  53           H        ILE  53   5.049  -1.119   3.968
  401    HA   ILE  53           HA       ILE  53   2.274  -1.896   4.595
  402    HB   ILE  53           HB       ILE  53   2.356  -3.198   2.459
  403   1HG1  ILE  53          2HG1      ILE  53   4.811  -1.534   1.882
  404   2HG1  ILE  53          1HG1      ILE  53   4.884  -3.222   2.377
  405   1HG2  ILE  53          1HG2      ILE  53   1.821  -0.529   2.905
  406   2HG2  ILE  53          2HG2      ILE  53   1.353  -1.462   1.483
  407   3HG2  ILE  53          3HG2      ILE  53   2.843  -0.516   1.466
  408   1HD1  ILE  53          1HD1      ILE  53   3.208  -2.497   0.037
  409   2HD1  ILE  53          2HD1      ILE  53   4.103  -3.979   0.374
  410   3HD1  ILE  53          3HD1      ILE  53   4.961  -2.529  -0.146
  411    H    GLU  54           H        GLU  54   1.807  -4.203   4.617
  412    HA   GLU  54           HA       GLU  54   4.047  -6.010   5.013
  413   1HB   GLU  54          2HB       GLU  54   2.680  -4.795   7.228
  414   2HB   GLU  54          1HB       GLU  54   2.362  -6.524   7.225
  415   1HG   GLU  54          2HG       GLU  54   5.136  -5.411   6.987
  416   2HG   GLU  54          1HG       GLU  54   4.368  -5.715   8.545
  417    H    MET  55           H        MET  55   3.539  -7.687   3.805
  418    HA   MET  55           HA       MET  55   0.728  -8.544   3.626
  419   1HB   MET  55          2HB       MET  55   3.046  -9.031   1.744
  420   2HB   MET  55          1HB       MET  55   1.439  -9.710   1.539
  421   1HG   MET  55          2HG       MET  55   0.824  -7.908   0.435
  422   2HG   MET  55          1HG       MET  55   1.140  -6.941   1.871
  423   1HE   MET  55          1HE       MET  55   2.928  -8.956  -0.724
  424   2HE   MET  55          2HE       MET  55   4.269  -7.958  -1.288
  425   3HE   MET  55          3HE       MET  55   2.636  -7.661  -1.886
  426    H    LYS  56           H        LYS  56   0.729 -11.009   2.912
  427    HA   LYS  56           HA       LYS  56   0.773 -13.129   3.769
  428   1HB   LYS  56          2HB       LYS  56   3.708 -12.424   3.740
  429   2HB   LYS  56          1HB       LYS  56   3.108 -14.047   4.043
  430   1HG   LYS  56          2HG       LYS  56   2.253 -14.248   1.857
  431   2HG   LYS  56          1HG       LYS  56   2.441 -12.520   1.544
  432   1HD   LYS  56          2HD       LYS  56   4.408 -13.031   0.610
  433   2HD   LYS  56          1HD       LYS  56   4.989 -13.347   2.246
  434   1HE   LYS  56          2HE       LYS  56   3.594 -15.461   0.630
  435   2HE   LYS  56          1HE       LYS  56   5.328 -15.177   0.482
  436   1HZ   LYS  56          1HZ       LYS  56   5.608 -15.663   2.802
  437   2HZ   LYS  56          2HZ       LYS  56   4.766 -16.941   2.081
  438   3HZ   LYS  56          3HZ       LYS  56   3.938 -15.811   3.030
  439    H    ASN  57           H        ASN  57   3.574 -12.063   5.612
  440    HA   ASN  57           HA       ASN  57   2.464 -13.153   8.034
  441   1HB   ASN  57          2HB       ASN  57   4.855 -13.415   7.394
  442   2HB   ASN  57          1HB       ASN  57   5.071 -11.681   7.615
  443   1HD2  ASN  57          1HD2      ASN  57   5.091 -10.825   9.677
  444   2HD2  ASN  57          2HD2      ASN  57   5.252 -11.810  11.087
  445    H    HIS  58           H        HIS  58   0.732 -11.794   8.516
  446    HA   HIS  58           HA       HIS  58  -0.131 -10.190  10.047
  447   1HB   HIS  58          2HB       HIS  58   2.370  -9.587  10.623
  448   2HB   HIS  58          1HB       HIS  58   2.101  -8.272   9.480
  449    HD1  HIS  58           HD1      HIS  58   2.100  -8.699  12.917
  450    HD2  HIS  58           HD2      HIS  58  -0.693  -7.070  10.303
  451    HE1  HIS  58           HE1      HIS  58   0.639  -7.218  14.330
  452    HE2  HIS  58           HE2      HIS  58  -1.106  -6.326  12.745
  453    H    ASP  59           H        ASP  59  -1.797  -9.765   8.666
  454    HA   ASP  59           HA       ASP  59  -1.704  -7.411   7.075
  455   1HB   ASP  59          2HB       ASP  59  -2.245  -8.433   4.904
  456   2HB   ASP  59          1HB       ASP  59  -0.636  -8.874   5.466
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1  -0.842  -8.273  -2.903
    2   2H    MET   1          2H        MET   1  -0.013  -6.805  -3.169
    3   3H    MET   1          3H        MET   1   0.126  -8.073  -4.298
    4    HA   MET   1           HA       MET   1  -1.351  -6.214  -4.931
    5   1HB   MET   1          2HB       MET   1  -2.629  -8.945  -4.663
    6   2HB   MET   1          1HB       MET   1  -3.000  -7.732  -5.880
    7   1HG   MET   1          2HG       MET   1  -0.295  -9.012  -5.615
    8   2HG   MET   1          1HG       MET   1  -1.574  -9.659  -6.635
    9   1HE   MET   1          1HE       MET   1   1.466  -8.631  -7.191
   10   2HE   MET   1          2HE       MET   1   1.390  -7.730  -8.705
   11   3HE   MET   1          3HE       MET   1   0.635  -9.320  -8.585
   12    H    GLU   2           H        GLU   2  -1.987  -7.687  -1.912
   13    HA   GLU   2           HA       GLU   2  -3.821  -5.635  -1.161
   14   1HB   GLU   2          2HB       GLU   2  -4.855  -8.228  -2.056
   15   2HB   GLU   2          1HB       GLU   2  -5.379  -7.797  -0.434
   16   1HG   GLU   2          2HG       GLU   2  -6.694  -6.117  -1.157
   17   2HG   GLU   2          1HG       GLU   2  -5.591  -5.672  -2.455
   18    H    ALA   3           H        ALA   3  -2.266  -5.181   0.244
   19    HA   ALA   3           HA       ALA   3  -1.932  -7.104   2.455
   20   1HB   ALA   3          1HB       ALA   3   0.193  -6.157   2.919
   21   2HB   ALA   3          2HB       ALA   3  -0.092  -4.816   1.809
   22   3HB   ALA   3          3HB       ALA   3   0.143  -6.447   1.179
   23    H    ILE   4           H        ILE   4  -0.850  -5.168   4.306
   24    HA   ILE   4           HA       ILE   4  -3.128  -3.378   4.635
   25    HB   ILE   4           HB       ILE   4  -4.067  -4.400   6.355
   26   1HG1  ILE   4          2HG1      ILE   4  -1.774  -5.372   7.916
   27   2HG1  ILE   4          1HG1      ILE   4  -1.791  -3.632   7.660
   28   1HG2  ILE   4          1HG2      ILE   4  -2.392  -6.759   6.627
   29   2HG2  ILE   4          2HG2      ILE   4  -2.843  -6.413   4.963
   30   3HG2  ILE   4          3HG2      ILE   4  -4.090  -6.611   6.185
   31   1HD1  ILE   4          1HD1      ILE   4  -3.988  -5.280   8.887
   32   2HD1  ILE   4          2HD1      ILE   4  -4.070  -3.545   8.577
   33   3HD1  ILE   4          3HD1      ILE   4  -2.895  -4.181   9.728
   34    H    ALA   5           H        ALA   5  -2.792  -1.538   5.794
   35    HA   ALA   5           HA       ALA   5  -0.135  -0.503   5.880
   36   1HB   ALA   5          1HB       ALA   5  -2.858   0.484   6.438
   37   2HB   ALA   5          2HB       ALA   5  -1.580   1.163   5.448
   38   3HB   ALA   5          3HB       ALA   5  -1.519   1.345   7.199
   39    H    LYS   6           H        LYS   6   1.299  -0.291   7.399
   40    HA   LYS   6           HA       LYS   6   0.714  -1.417  10.043
   41   1HB   LYS   6          2HB       LYS   6   3.268  -0.578   8.679
   42   2HB   LYS   6          1HB       LYS   6   3.213  -0.970  10.393
   43   1HG   LYS   6          2HG       LYS   6   2.011  -3.147   9.401
   44   2HG   LYS   6          1HG       LYS   6   3.045  -2.722   8.037
   45   1HD   LYS   6          2HD       LYS   6   4.086  -2.928  10.849
   46   2HD   LYS   6          1HD       LYS   6   4.025  -4.312   9.758
   47   1HE   LYS   6          2HE       LYS   6   5.979  -3.675   8.927
   48   2HE   LYS   6          1HE       LYS   6   5.205  -2.226   8.300
   49   1HZ   LYS   6          1HZ       LYS   6   6.042  -2.252  11.107
   50   2HZ   LYS   6          2HZ       LYS   6   5.981  -0.964  10.012
   51   3HZ   LYS   6          3HZ       LYS   6   7.239  -2.092   9.921
   52    H    HIS   7           H        HIS   7   1.250   1.596   8.456
   53    HA   HIS   7           HA       HIS   7   0.525   3.041  10.877
   54   1HB   HIS   7          2HB       HIS   7   3.219   2.975   9.894
   55   2HB   HIS   7          1HB       HIS   7   2.571   4.594   9.660
   56    HD1  HIS   7           HD1      HIS   7   1.475   2.571  12.601
   57    HD2  HIS   7           HD2      HIS   7   4.142   5.635  11.723
   58    HE1  HIS   7           HE1      HIS   7   2.221   3.472  14.828
   59    HE2  HIS   7           HE2      HIS   7   3.779   5.371  14.271
   60    H    ASP   8           H        ASP   8   0.455   5.452  10.286
   61    HA   ASP   8           HA       ASP   8  -1.440   5.612   8.126
   62   1HB   ASP   8          2HB       ASP   8  -1.838   7.923   9.005
   63   2HB   ASP   8          1HB       ASP   8  -2.052   6.649  10.201
   64    H    PHE   9           H        PHE   9  -1.352   6.893   6.292
   65    HA   PHE   9           HA       PHE   9   1.099   8.420   5.867
   66   1HB   PHE   9          2HB       PHE   9   1.162   6.011   4.833
   67   2HB   PHE   9          1HB       PHE   9   0.107   6.712   3.608
   68    HD1  PHE   9           HD1      PHE   9   3.178   7.836   5.414
   69    HD2  PHE   9           HD2      PHE   9   1.220   7.239   1.682
   70    HE1  PHE   9           HE1      PHE   9   5.144   8.740   4.243
   71    HE2  PHE   9           HE2      PHE   9   3.184   8.141   0.505
   72    HZ   PHE   9           HZ       PHE   9   5.149   8.892   1.785
   73    H    SER  10           H        SER  10   0.597  10.408   5.188
   74    HA   SER  10           HA       SER  10  -1.828  10.741   3.544
   75   1HB   SER  10          2HB       SER  10  -2.564  12.087   5.220
   76   2HB   SER  10          1HB       SER  10  -0.963  12.229   5.937
   77    HG   SER  10           HG       SER  10  -0.583  13.688   4.009
   78    H    ALA  11           H        ALA  11  -1.597  11.296   1.649
   79    HA   ALA  11           HA       ALA  11   0.793  11.720   0.313
   80   1HB   ALA  11          1HB       ALA  11  -0.736  12.470  -1.553
   81   2HB   ALA  11          2HB       ALA  11  -2.066  12.300  -0.407
   82   3HB   ALA  11          3HB       ALA  11  -1.093  10.895  -0.844
   83    H    THR  12           H        THR  12   1.886  13.439  -0.409
   84    HA   THR  12           HA       THR  12   1.009  16.135   0.442
   85    HB   THR  12           HB       THR  12   3.053  15.397   1.597
   86    HG1  THR  12           HG1      THR  12   2.775  17.633   0.297
   87   1HG2  THR  12          1HG2      THR  12   3.813  13.944  -0.393
   88   2HG2  THR  12          2HG2      THR  12   5.024  14.769   0.587
   89   3HG2  THR  12          3HG2      THR  12   4.557  15.431  -0.979
   90    H    ALA  13           H        ALA  13   0.934  14.337  -2.163
   91    HA   ALA  13           HA       ALA  13   0.985  16.589  -3.965
   92   1HB   ALA  13          1HB       ALA  13   3.365  15.393  -3.758
   93   2HB   ALA  13          2HB       ALA  13   2.761  16.031  -5.288
   94   3HB   ALA  13          3HB       ALA  13   2.622  14.309  -4.934
   95    H    ASP  14           H        ASP  14   0.140  15.946  -6.112
   96    HA   ASP  14           HA       ASP  14  -2.060  14.163  -5.806
   97   1HB   ASP  14          2HB       ASP  14  -1.893  14.631  -8.549
   98   2HB   ASP  14          1HB       ASP  14  -2.869  15.529  -7.397
   99    H    ASP  15           H        ASP  15  -2.536  12.313  -7.127
  100    HA   ASP  15           HA       ASP  15  -2.103  10.472  -8.399
  101   1HB   ASP  15          2HB       ASP  15  -0.458  10.559  -9.906
  102   2HB   ASP  15          1HB       ASP  15  -0.026  12.108  -9.208
  103    H    GLU  16           H        GLU  16  -0.928  11.216  -5.457
  104    HA   GLU  16           HA       GLU  16   0.191   8.566  -4.826
  105   1HB   GLU  16          2HB       GLU  16   0.597  11.231  -3.803
  106   2HB   GLU  16          1HB       GLU  16   0.056  10.167  -2.514
  107   1HG   GLU  16          2HG       GLU  16   2.170   9.543  -2.309
  108   2HG   GLU  16          1HG       GLU  16   1.961   8.667  -3.824
  109    H    LEU  17           H        LEU  17  -0.557   7.574  -2.794
  110    HA   LEU  17           HA       LEU  17  -3.446   8.016  -2.429
  111   1HB   LEU  17          2HB       LEU  17  -2.551   5.828  -3.488
  112   2HB   LEU  17          1HB       LEU  17  -2.099   5.402  -1.849
  113    HG   LEU  17           HG       LEU  17  -4.545   5.814  -1.237
  114   1HD1  LEU  17          1HD1      LEU  17  -5.154   7.053  -3.245
  115   2HD1  LEU  17          2HD1      LEU  17  -6.151   5.615  -3.054
  116   3HD1  LEU  17          3HD1      LEU  17  -4.840   5.621  -4.218
  117   1HD2  LEU  17          1HD2      LEU  17  -3.675   3.599  -1.273
  118   2HD2  LEU  17          2HD2      LEU  17  -3.707   3.551  -3.035
  119   3HD2  LEU  17          3HD2      LEU  17  -5.217   3.574  -2.126
  120    H    SER  18           H        SER  18  -3.876   6.477  -0.147
  121    HA   SER  18           HA       SER  18  -2.084   7.413   1.933
  122   1HB   SER  18          2HB       SER  18  -3.928   8.479   3.197
  123   2HB   SER  18          1HB       SER  18  -3.587   9.326   1.687
  124    HG   SER  18           HG       SER  18  -5.899   8.592   2.405
  125    H    PHE  19           H        PHE  19  -2.553   6.361   4.016
  126    HA   PHE  19           HA       PHE  19  -4.656   4.432   4.161
  127   1HB   PHE  19          2HB       PHE  19  -3.083   2.455   4.302
  128   2HB   PHE  19          1HB       PHE  19  -3.295   3.143   2.694
  129    HD1  PHE  19           HD1      PHE  19  -0.964   2.210   5.189
  130    HD2  PHE  19           HD2      PHE  19  -1.515   4.817   1.898
  131    HE1  PHE  19           HE1      PHE  19   1.453   2.451   5.011
  132    HE2  PHE  19           HE2      PHE  19   0.923   5.083   1.707
  133    HZ   PHE  19           HZ       PHE  19   2.415   3.891   3.264
  134    H    ARG  20           H        ARG  20  -4.646   3.200   6.145
  135    HA   ARG  20           HA       ARG  20  -2.974   4.388   8.265
  136   1HB   ARG  20          2HB       ARG  20  -4.836   4.655   9.731
  137   2HB   ARG  20          1HB       ARG  20  -5.247   5.423   8.206
  138   1HG   ARG  20          2HG       ARG  20  -6.801   3.787   7.655
  139   2HG   ARG  20          1HG       ARG  20  -6.113   2.615   8.782
  140   1HD   ARG  20          2HD       ARG  20  -6.798   4.349  10.595
  141   2HD   ARG  20          1HD       ARG  20  -7.861   4.982   9.340
  142    HE   ARG  20           HE       ARG  20  -8.451   2.355   9.348
  143   1HH1  ARG  20          1HH1      ARG  20  -8.262   4.730  11.894
  144   2HH1  ARG  20          2HH1      ARG  20  -9.466   3.960  12.872
  145   1HH2  ARG  20          1HH2      ARG  20 -10.033   1.338  10.635
  146   2HH2  ARG  20          2HH2      ARG  20 -10.471   2.036  12.159
  147    H    LYS  21           H        LYS  21  -2.868   3.179  10.252
  148    HA   LYS  21           HA       LYS  21  -2.191   0.491   9.885
  149   1HB   LYS  21          2HB       LYS  21  -2.173   0.435  12.412
  150   2HB   LYS  21          1HB       LYS  21  -1.189   1.694  11.677
  151   1HG   LYS  21          2HG       LYS  21  -2.758   3.374  12.224
  152   2HG   LYS  21          1HG       LYS  21  -3.986   2.184  12.658
  153   1HD   LYS  21          2HD       LYS  21  -1.764   1.603  14.264
  154   2HD   LYS  21          1HD       LYS  21  -1.920   3.360  14.285
  155   1HE   LYS  21          2HE       LYS  21  -3.202   2.347  16.094
  156   2HE   LYS  21          1HE       LYS  21  -4.264   3.150  14.939
  157   1HZ   LYS  21          1HZ       LYS  21  -5.305   1.250  14.530
  158   2HZ   LYS  21          2HZ       LYS  21  -4.460   0.557  15.819
  159   3HZ   LYS  21          3HZ       LYS  21  -3.858   0.420  14.245
  160    H    GLY  22           H        GLY  22  -3.294  -1.360  10.019
  161   1HA   GLY  22          2HA       GLY  22  -4.972  -2.781  10.912
  162   2HA   GLY  22          1HA       GLY  22  -5.956  -1.364  11.247
  163    H    GLN  23           H        GLN  23  -5.455  -0.267   8.490
  164    HA   GLN  23           HA       GLN  23  -7.644  -1.659   7.259
  165   1HB   GLN  23          2HB       GLN  23  -6.564   0.932   7.075
  166   2HB   GLN  23          1HB       GLN  23  -6.383   0.217   5.481
  167   1HG   GLN  23          2HG       GLN  23  -8.511   1.532   5.984
  168   2HG   GLN  23          1HG       GLN  23  -8.672  -0.032   5.191
  169   1HE2  GLN  23          1HE2      GLN  23  -8.145   0.759   8.599
  170   2HE2  GLN  23          2HE2      GLN  23  -9.591   0.014   9.180
  171    H    ILE  24           H        ILE  24  -7.657  -2.317   4.979
  172    HA   ILE  24           HA       ILE  24  -5.172  -3.738   4.337
  173    HB   ILE  24           HB       ILE  24  -7.881  -4.244   3.119
  174   1HG1  ILE  24          2HG1      ILE  24  -8.069  -4.528   5.540
  175   2HG1  ILE  24          1HG1      ILE  24  -8.122  -6.091   4.732
  176   1HG2  ILE  24          1HG2      ILE  24  -5.262  -5.688   3.157
  177   2HG2  ILE  24          2HG2      ILE  24  -6.283  -5.268   1.783
  178   3HG2  ILE  24          3HG2      ILE  24  -6.767  -6.560   2.881
  179   1HD1  ILE  24          1HD1      ILE  24  -6.757  -6.008   6.820
  180   2HD1  ILE  24          2HD1      ILE  24  -5.636  -4.951   5.963
  181   3HD1  ILE  24          3HD1      ILE  24  -5.903  -6.597   5.393
  182    H    LEU  25           H        LEU  25  -3.945  -2.498   3.063
  183    HA   LEU  25           HA       LEU  25  -5.179  -0.997   0.882
  184   1HB   LEU  25          2HB       LEU  25  -3.223   0.290   0.742
  185   2HB   LEU  25          1HB       LEU  25  -3.546   0.092   2.449
  186    HG   LEU  25           HG       LEU  25  -1.250  -0.135   2.305
  187   1HD1  LEU  25          1HD1      LEU  25  -2.344  -2.043   3.481
  188   2HD1  LEU  25          2HD1      LEU  25  -0.715  -2.362   2.894
  189   3HD1  LEU  25          3HD1      LEU  25  -2.104  -2.997   2.022
  190   1HD2  LEU  25          1HD2      LEU  25  -0.239  -1.743   0.586
  191   2HD2  LEU  25          2HD2      LEU  25  -0.761  -0.148   0.057
  192   3HD2  LEU  25          3HD2      LEU  25  -1.767  -1.555  -0.268
  193    H    LYS  26           H        LYS  26  -4.778  -1.454  -1.280
  194    HA   LYS  26           HA       LYS  26  -3.608  -4.049  -1.797
  195   1HB   LYS  26          2HB       LYS  26  -5.248  -4.159  -3.311
  196   2HB   LYS  26          1HB       LYS  26  -5.755  -2.556  -2.832
  197   1HG   LYS  26          2HG       LYS  26  -5.546  -2.202  -5.035
  198   2HG   LYS  26          1HG       LYS  26  -3.877  -1.871  -4.600
  199   1HD   LYS  26          2HD       LYS  26  -3.664  -4.483  -4.997
  200   2HD   LYS  26          1HD       LYS  26  -5.070  -4.190  -6.016
  201   1HE   LYS  26          2HE       LYS  26  -3.117  -2.171  -6.520
  202   2HE   LYS  26          1HE       LYS  26  -2.343  -3.751  -6.611
  203   1HZ   LYS  26          1HZ       LYS  26  -4.823  -3.846  -7.946
  204   2HZ   LYS  26          2HZ       LYS  26  -3.272  -4.084  -8.576
  205   3HZ   LYS  26          3HZ       LYS  26  -3.934  -2.529  -8.529
  206    H    ILE  27           H        ILE  27  -1.487  -4.183  -2.094
  207    HA   ILE  27           HA       ILE  27   0.058  -1.945  -3.082
  208    HB   ILE  27           HB       ILE  27   2.001  -3.442  -2.686
  209   1HG1  ILE  27          2HG1      ILE  27  -0.025  -5.331  -1.489
  210   2HG1  ILE  27          1HG1      ILE  27   0.670  -5.547  -3.092
  211   1HG2  ILE  27          1HG2      ILE  27   1.491  -3.689  -0.166
  212   2HG2  ILE  27          2HG2      ILE  27   0.011  -2.837  -0.567
  213   3HG2  ILE  27          3HG2      ILE  27   1.571  -2.090  -0.878
  214   1HD1  ILE  27          1HD1      ILE  27   2.449  -6.534  -2.235
  215   2HD1  ILE  27          2HD1      ILE  27   1.672  -6.462  -0.655
  216   3HD1  ILE  27          3HD1      ILE  27   2.755  -5.165  -1.164
  217    H    LEU  28           H        LEU  28   1.517  -2.107  -4.818
  218    HA   LEU  28           HA       LEU  28   0.867  -4.116  -6.851
  219   1HB   LEU  28          2HB       LEU  28  -0.184  -1.731  -7.052
  220   2HB   LEU  28          1HB       LEU  28   1.427  -1.252  -7.556
  221    HG   LEU  28           HG       LEU  28   1.333  -2.767  -9.448
  222   1HD1  LEU  28          1HD1      LEU  28  -1.349  -3.559  -9.566
  223   2HD1  LEU  28          2HD1      LEU  28  -0.804  -3.956  -7.936
  224   3HD1  LEU  28          3HD1      LEU  28   0.066  -4.586  -9.335
  225   1HD2  LEU  28          1HD2      LEU  28  -1.317  -1.441  -9.609
  226   2HD2  LEU  28          2HD2      LEU  28   0.022  -1.443 -10.757
  227   3HD2  LEU  28          3HD2      LEU  28   0.096  -0.429  -9.319
  228    H    ASN  29           H        ASN  29   3.033  -4.168  -5.063
  229    HA   ASN  29           HA       ASN  29   5.468  -3.087  -5.825
  230   1HB   ASN  29          2HB       ASN  29   4.915  -4.403  -3.763
  231   2HB   ASN  29          1HB       ASN  29   5.050  -5.859  -4.743
  232   1HD2  ASN  29          1HD2      ASN  29   7.047  -2.975  -5.074
  233   2HD2  ASN  29          2HD2      ASN  29   8.522  -3.725  -4.586
  234    H    MET  30           H        MET  30   6.918  -3.530  -7.396
  235    HA   MET  30           HA       MET  30   6.566  -6.009  -8.928
  236   1HB   MET  30          2HB       MET  30   7.328  -4.699 -10.947
  237   2HB   MET  30          1HB       MET  30   5.731  -4.307 -10.336
  238   1HG   MET  30          2HG       MET  30   7.229  -2.508  -8.988
  239   2HG   MET  30          1HG       MET  30   8.155  -2.659 -10.479
  240   1HE   MET  30          1HE       MET  30   7.400  -0.061  -9.843
  241   2HE   MET  30          2HE       MET  30   5.795  -0.102  -9.114
  242   3HE   MET  30          3HE       MET  30   6.033   0.672 -10.681
  243    H    GLU  31           H        GLU  31   8.945  -4.603 -10.492
  244    HA   GLU  31           HA       GLU  31  11.136  -5.649  -8.774
  245   1HB   GLU  31          2HB       GLU  31  10.277  -6.397 -11.451
  246   2HB   GLU  31          1HB       GLU  31  12.005  -6.196 -11.203
  247   1HG   GLU  31          2HG       GLU  31  10.230  -7.918  -9.491
  248   2HG   GLU  31          1HG       GLU  31  11.196  -8.503 -10.845
  249    H    ASP  32           H        ASP  32  10.178  -3.547 -11.462
  250    HA   ASP  32           HA       ASP  32  12.532  -2.510 -12.286
  251   1HB   ASP  32          2HB       ASP  32   9.797  -1.304 -12.144
  252   2HB   ASP  32          1HB       ASP  32  11.137  -0.542 -12.992
  253    H    ASP  33           H        ASP  33  10.471  -1.054  -9.731
  254    HA   ASP  33           HA       ASP  33  12.538   0.950  -9.270
  255   1HB   ASP  33          2HB       ASP  33   9.678   0.895  -8.911
  256   2HB   ASP  33          1HB       ASP  33  10.432   1.245  -7.359
  257    H    SER  34           H        SER  34  10.482  -1.118  -7.260
  258    HA   SER  34           HA       SER  34  11.121  -2.768  -5.735
  259   1HB   SER  34          2HB       SER  34  13.658  -2.150  -6.355
  260   2HB   SER  34          1HB       SER  34  13.561  -1.310  -4.807
  261    HG   SER  34           HG       SER  34  12.726  -3.991  -5.081
  262    H    ASN  35           H        ASN  35  12.192   0.564  -4.839
  263    HA   ASN  35           HA       ASN  35  10.929   0.276  -2.263
  264   1HB   ASN  35          2HB       ASN  35  11.578   2.956  -2.449
  265   2HB   ASN  35          1HB       ASN  35  12.573   1.686  -1.755
  266   1HD2  ASN  35          1HD2      ASN  35  14.090   0.611  -3.217
  267   2HD2  ASN  35          2HD2      ASN  35  14.817   1.539  -4.479
  268    H    TRP  36           H        TRP  36   9.948   1.751  -5.270
  269    HA   TRP  36           HA       TRP  36   7.647   2.917  -3.835
  270   1HB   TRP  36          2HB       TRP  36   8.580   3.648  -6.610
  271   2HB   TRP  36          1HB       TRP  36   7.414   4.508  -5.609
  272    HD1  TRP  36           HD1      TRP  36   9.498   4.187  -2.966
  273    HE1  TRP  36           HE1      TRP  36  11.398   5.918  -2.825
  274    HE3  TRP  36           HE3      TRP  36   9.531   5.758  -7.832
  275    HZ2  TRP  36           HZ2      TRP  36  12.733   7.713  -4.548
  276    HZ3  TRP  36           HZ3      TRP  36  11.150   7.485  -8.504
  277    HH2  TRP  36           HH2      TRP  36  12.717   8.442  -6.894
  278    H    TYR  37           H        TYR  37   5.580   2.360  -4.345
  279    HA   TYR  37           HA       TYR  37   5.088   0.780  -6.750
  280   1HB   TYR  37          2HB       TYR  37   4.099  -1.064  -5.636
  281   2HB   TYR  37          1HB       TYR  37   5.643  -0.789  -4.842
  282    HD1  TYR  37           HD1      TYR  37   5.739  -0.195  -2.520
  283    HD2  TYR  37           HD2      TYR  37   1.997  -0.423  -4.510
  284    HE1  TYR  37           HE1      TYR  37   4.572  -0.092  -0.358
  285    HE2  TYR  37           HE2      TYR  37   0.831  -0.329  -2.349
  286    HH   TYR  37           HH       TYR  37   1.080   0.062  -0.130
  287    H    ARG  38           H        ARG  38   2.654   0.259  -6.890
  288    HA   ARG  38           HA       ARG  38   1.171   2.713  -6.204
  289   1HB   ARG  38          2HB       ARG  38   1.082   0.788  -8.494
  290   2HB   ARG  38          1HB       ARG  38  -0.377   1.673  -8.075
  291   1HG   ARG  38          2HG       ARG  38   1.479   3.661  -8.157
  292   2HG   ARG  38          1HG       ARG  38   2.059   2.571  -9.416
  293   1HD   ARG  38          2HD       ARG  38  -0.230   2.591 -10.390
  294   2HD   ARG  38          1HD       ARG  38  -0.684   3.798  -9.186
  295    HE   ARG  38           HE       ARG  38   1.598   4.673 -10.589
  296   1HH1  ARG  38          1HH1      ARG  38  -1.830   4.187 -11.034
  297   2HH1  ARG  38          2HH1      ARG  38  -1.976   5.423 -12.239
  298   1HH2  ARG  38          1HH2      ARG  38   1.406   6.300 -12.174
  299   2HH2  ARG  38          2HH2      ARG  38  -0.140   6.621 -12.885
  300    H    ALA  39           H        ALA  39  -0.768   2.631  -5.263
  301    HA   ALA  39           HA       ALA  39  -1.700   0.001  -4.323
  302   1HB   ALA  39          1HB       ALA  39  -0.414   1.408  -2.649
  303   2HB   ALA  39          2HB       ALA  39  -1.994   0.811  -2.142
  304   3HB   ALA  39          3HB       ALA  39  -1.809   2.484  -2.660
  305    H    GLU  40           H        GLU  40  -3.937   0.138  -3.324
  306    HA   GLU  40           HA       GLU  40  -5.680   2.131  -4.558
  307   1HB   GLU  40          2HB       GLU  40  -5.524  -0.705  -5.315
  308   2HB   GLU  40          1HB       GLU  40  -7.148  -0.128  -4.995
  309   1HG   GLU  40          2HG       GLU  40  -7.163   0.547  -7.106
  310   2HG   GLU  40          1HG       GLU  40  -6.073   1.835  -6.593
  311    H    LEU  41           H        LEU  41  -7.418   2.614  -3.305
  312    HA   LEU  41           HA       LEU  41  -8.399   0.759  -1.327
  313   1HB   LEU  41          2HB       LEU  41  -7.970   1.955   0.607
  314   2HB   LEU  41          1HB       LEU  41  -6.473   2.108  -0.282
  315    HG   LEU  41           HG       LEU  41  -6.807   4.219   0.614
  316   1HD1  LEU  41          1HD1      LEU  41  -7.251   3.938  -2.201
  317   2HD1  LEU  41          2HD1      LEU  41  -6.328   5.136  -1.311
  318   3HD1  LEU  41          3HD1      LEU  41  -8.049   5.379  -1.581
  319   1HD2  LEU  41          1HD2      LEU  41  -9.705   3.811   0.006
  320   2HD2  LEU  41          2HD2      LEU  41  -9.047   5.421   0.288
  321   3HD2  LEU  41          3HD2      LEU  41  -8.924   4.185   1.539
  322    H    ASP  42           H        ASP  42 -10.509   0.962  -1.032
  323    HA   ASP  42           HA       ASP  42 -12.653   1.541  -1.497
  324   1HB   ASP  42          2HB       ASP  42 -11.689   3.527   0.007
  325   2HB   ASP  42          1HB       ASP  42 -12.044   4.451  -1.449
  326    H    GLY  43           H        GLY  43 -10.784   1.287  -3.756
  327   1HA   GLY  43          2HA       GLY  43 -11.231   1.307  -6.053
  328   2HA   GLY  43          1HA       GLY  43 -12.524   2.458  -5.765
  329    H    LYS  44           H        LYS  44  -9.563   3.318  -4.302
  330    HA   LYS  44           HA       LYS  44  -8.985   5.187  -6.510
  331   1HB   LYS  44          2HB       LYS  44  -9.743   5.801  -3.923
  332   2HB   LYS  44          1HB       LYS  44  -7.990   5.912  -3.843
  333   1HG   LYS  44          2HG       LYS  44  -8.038   7.898  -4.816
  334   2HG   LYS  44          1HG       LYS  44  -8.890   7.229  -6.207
  335   1HD   LYS  44          2HD       LYS  44 -10.901   7.978  -5.498
  336   2HD   LYS  44          1HD       LYS  44 -10.534   7.663  -3.801
  337   1HE   LYS  44          2HE       LYS  44  -8.861   9.683  -4.173
  338   2HE   LYS  44          1HE       LYS  44 -10.007  10.081  -5.450
  339   1HZ   LYS  44          1HZ       LYS  44 -10.845  11.197  -3.631
  340   2HZ   LYS  44          2HZ       LYS  44 -10.450   9.966  -2.540
  341   3HZ   LYS  44          3HZ       LYS  44 -11.750   9.768  -3.602
  342    H    GLU  45           H        GLU  45  -6.853   5.330  -7.191
  343    HA   GLU  45           HA       GLU  45  -4.970   3.473  -5.906
  344   1HB   GLU  45          2HB       GLU  45  -3.850   3.264  -8.053
  345   2HB   GLU  45          1HB       GLU  45  -5.556   2.866  -8.209
  346   1HG   GLU  45          2HG       GLU  45  -5.424   5.589  -8.738
  347   2HG   GLU  45          1HG       GLU  45  -4.006   4.907  -9.535
  348    H    GLY  46           H        GLY  46  -2.595   4.079  -6.534
  349   1HA   GLY  46          2HA       GLY  46  -1.512   6.517  -6.937
  350   2HA   GLY  46          1HA       GLY  46  -2.157   6.652  -5.308
  351    H    LEU  47           H        LEU  47   0.614   6.707  -6.259
  352    HA   LEU  47           HA       LEU  47   2.017   4.328  -5.568
  353   1HB   LEU  47          2HB       LEU  47   2.672   6.909  -6.462
  354   2HB   LEU  47          1HB       LEU  47   3.492   6.722  -4.924
  355    HG   LEU  47           HG       LEU  47   4.593   4.690  -5.743
  356   1HD1  LEU  47          1HD1      LEU  47   2.729   4.092  -7.315
  357   2HD1  LEU  47          2HD1      LEU  47   4.357   3.891  -7.953
  358   3HD1  LEU  47          3HD1      LEU  47   3.388   5.286  -8.430
  359   1HD2  LEU  47          1HD2      LEU  47   5.203   7.269  -6.390
  360   2HD2  LEU  47          2HD2      LEU  47   5.211   6.483  -7.968
  361   3HD2  LEU  47          3HD2      LEU  47   6.245   5.876  -6.674
  362    H    ILE  48           H        ILE  48   3.084   3.736  -3.690
  363    HA   ILE  48           HA       ILE  48   2.729   5.240  -1.240
  364    HB   ILE  48           HB       ILE  48   1.360   2.624  -1.804
  365   1HG1  ILE  48          2HG1      ILE  48   0.524   5.044  -0.197
  366   2HG1  ILE  48          1HG1      ILE  48   0.162   4.808  -1.901
  367   1HG2  ILE  48          1HG2      ILE  48   2.926   2.390   0.218
  368   2HG2  ILE  48          2HG2      ILE  48   1.232   1.959   0.428
  369   3HG2  ILE  48          3HG2      ILE  48   1.825   3.505   1.013
  370   1HD1  ILE  48          1HD1      ILE  48  -1.503   4.152   0.090
  371   2HD1  ILE  48          2HD1      ILE  48  -0.654   2.620  -0.117
  372   3HD1  ILE  48          3HD1      ILE  48  -1.489   3.363  -1.478
  373    HA   PRO  49           HA       PRO  49   6.709   3.399  -0.561
  374   1HB   PRO  49          2HB       PRO  49   6.984   3.504   2.123
  375   2HB   PRO  49          1HB       PRO  49   6.970   4.962   1.123
  376   1HG   PRO  49          2HG       PRO  49   4.762   3.753   2.733
  377   2HG   PRO  49          1HG       PRO  49   5.229   5.452   2.587
  378   1HD   PRO  49          2HD       PRO  49   3.155   4.346   1.224
  379   2HD   PRO  49          1HD       PRO  49   4.086   5.720   0.615
  380    H    SER  50           H        SER  50   7.346   1.386  -0.730
  381    HA   SER  50           HA       SER  50   5.835  -0.868  -0.174
  382   1HB   SER  50          2HB       SER  50   8.329  -0.324  -1.349
  383   2HB   SER  50          1HB       SER  50   8.616  -1.563  -0.126
  384    HG   SER  50           HG       SER  50   7.995  -2.404  -2.202
  385    H    ASN  51           H        ASN  51   8.124   0.672   1.958
  386    HA   ASN  51           HA       ASN  51   8.234  -1.509   3.831
  387   1HB   ASN  51          2HB       ASN  51   9.349   0.201   5.294
  388   2HB   ASN  51          1HB       ASN  51  10.107  -0.028   3.721
  389   1HD2  ASN  51          1HD2      ASN  51   9.594   2.243   5.830
  390   2HD2  ASN  51          2HD2      ASN  51   9.267   3.604   4.818
  391    H    TYR  52           H        TYR  52   5.787   0.642   3.107
  392    HA   TYR  52           HA       TYR  52   4.818   0.845   5.870
  393   1HB   TYR  52          2HB       TYR  52   4.437   2.325   3.394
  394   2HB   TYR  52          1HB       TYR  52   2.932   2.021   4.241
  395    HD1  TYR  52           HD1      TYR  52   6.089   3.831   4.285
  396    HD2  TYR  52           HD2      TYR  52   2.578   2.931   6.515
  397    HE1  TYR  52           HE1      TYR  52   6.583   5.697   5.808
  398    HE2  TYR  52           HE2      TYR  52   3.062   4.798   8.034
  399    HH   TYR  52           HH       TYR  52   5.740   7.009   7.462
  400    H    ILE  53           H        ILE  53   4.627  -1.441   3.544
  401    HA   ILE  53           HA       ILE  53   1.846  -2.146   4.196
  402    HB   ILE  53           HB       ILE  53   1.663  -2.119   1.955
  403   1HG1  ILE  53          2HG1      ILE  53   1.594  -4.573   2.720
  404   2HG1  ILE  53          1HG1      ILE  53   1.674  -4.242   1.005
  405   1HG2  ILE  53          1HG2      ILE  53   4.184  -3.051   0.907
  406   2HG2  ILE  53          2HG2      ILE  53   4.392  -1.671   1.976
  407   3HG2  ILE  53          3HG2      ILE  53   3.309  -1.560   0.602
  408   1HD1  ILE  53          1HD1      ILE  53   3.556  -5.635   2.735
  409   2HD1  ILE  53          2HD1      ILE  53   4.307  -4.495   1.619
  410   3HD1  ILE  53          3HD1      ILE  53   3.273  -5.783   1.003
  411    H    GLU  54           H        GLU  54   1.481  -3.885   5.425
  412    HA   GLU  54           HA       GLU  54   3.145  -6.226   5.364
  413   1HB   GLU  54          2HB       GLU  54   3.556  -4.174   7.396
  414   2HB   GLU  54          1HB       GLU  54   3.175  -5.735   8.101
  415   1HG   GLU  54          2HG       GLU  54   5.016  -6.505   6.332
  416   2HG   GLU  54          1HG       GLU  54   5.551  -4.846   6.594
  417    H    MET  55           H        MET  55   2.331  -7.422   7.745
  418    HA   MET  55           HA       MET  55  -0.539  -7.107   8.008
  419   1HB   MET  55          2HB       MET  55  -0.221  -8.535   5.983
  420   2HB   MET  55          1HB       MET  55   0.570  -9.728   7.002
  421   1HG   MET  55          2HG       MET  55  -1.379 -10.598   7.569
  422   2HG   MET  55          1HG       MET  55  -1.946  -9.037   8.157
  423   1HE   MET  55          1HE       MET  55  -1.028 -10.870   4.971
  424   2HE   MET  55          2HE       MET  55  -2.387 -10.617   3.875
  425   3HE   MET  55          3HE       MET  55  -2.543 -11.735   5.230
  426    H    LYS  56           H        LYS  56   2.279  -7.562   9.495
  427    HA   LYS  56           HA       LYS  56   1.002  -8.768  11.816
  428   1HB   LYS  56          2HB       LYS  56   3.709  -9.848  11.256
  429   2HB   LYS  56          1HB       LYS  56   2.345 -10.599  12.067
  430   1HG   LYS  56          2HG       LYS  56   2.408 -11.865  10.189
  431   2HG   LYS  56          1HG       LYS  56   1.342 -10.584   9.618
  432   1HD   LYS  56          2HD       LYS  56   2.810  -9.960   8.056
  433   2HD   LYS  56          1HD       LYS  56   4.118  -9.875   9.238
  434   1HE   LYS  56          2HE       LYS  56   5.007 -11.728   8.400
  435   2HE   LYS  56          1HE       LYS  56   3.526 -12.615   8.760
  436   1HZ   LYS  56          1HZ       LYS  56   4.174 -12.692   6.397
  437   2HZ   LYS  56          2HZ       LYS  56   3.959 -11.018   6.297
  438   3HZ   LYS  56          3HZ       LYS  56   2.640 -12.020   6.635
  439    H    ASN  57           H        ASN  57   3.604  -6.969  10.371
  440    HA   ASN  57           HA       ASN  57   4.896  -5.283  11.185
  441   1HB   ASN  57          2HB       ASN  57   2.953  -4.513  12.459
  442   2HB   ASN  57          1HB       ASN  57   3.317  -5.660  13.742
  443   1HD2  ASN  57          1HD2      ASN  57   3.778  -2.542  12.604
  444   2HD2  ASN  57          2HD2      ASN  57   5.031  -2.055  13.687
  445    H    HIS  58           H        HIS  58   6.911  -5.849  11.280
  446    HA   HIS  58           HA       HIS  58   7.746  -7.617  13.483
  447   1HB   HIS  58          2HB       HIS  58   8.319  -8.688  11.389
  448   2HB   HIS  58          1HB       HIS  58   9.112  -7.230  10.810
  449    HD1  HIS  58           HD1      HIS  58  11.559  -7.379  10.930
  450    HD2  HIS  58           HD2      HIS  58   9.750  -9.633  13.917
  451    HE1  HIS  58           HE1      HIS  58  13.443  -8.493  12.166
  452    HE2  HIS  58           HE2      HIS  58  12.330  -9.802  14.008
  453    H    ASP  59           H        ASP  59   7.214  -5.049  14.024
  454    HA   ASP  59           HA       ASP  59   9.801  -4.090  14.905
  455   1HB   ASP  59          2HB       ASP  59   8.627  -2.962  12.611
  456   2HB   ASP  59          1HB       ASP  59   8.323  -1.812  13.909
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  -2.798 -10.531  -5.233
    2   2H    MET   1          2H        MET   1  -3.956  -9.365  -4.738
    3   3H    MET   1          3H        MET   1  -3.466 -10.605  -3.656
    4    HA   MET   1           HA       MET   1  -1.331  -9.726  -3.461
    5   1HB   MET   1          2HB       MET   1  -1.628  -8.967  -6.017
    6   2HB   MET   1          1HB       MET   1  -1.943  -7.420  -5.244
    7   1HG   MET   1          2HG       MET   1   0.197  -7.245  -4.415
    8   2HG   MET   1          1HG       MET   1   0.473  -8.986  -4.473
    9   1HE   MET   1          1HE       MET   1   0.076 -10.209  -6.613
   10   2HE   MET   1          2HE       MET   1   1.753 -10.094  -7.148
   11   3HE   MET   1          3HE       MET   1   0.446  -9.627  -8.236
   12    H    GLU   2           H        GLU   2  -2.745  -9.501  -1.468
   13    HA   GLU   2           HA       GLU   2  -3.596  -6.716  -1.159
   14   1HB   GLU   2          2HB       GLU   2  -5.433  -8.314  -0.946
   15   2HB   GLU   2          1HB       GLU   2  -4.556  -9.182   0.304
   16   1HG   GLU   2          2HG       GLU   2  -4.638  -7.061   1.663
   17   2HG   GLU   2          1HG       GLU   2  -5.781  -6.447   0.467
   18    H    ALA   3           H        ALA   3  -3.041  -5.583   0.694
   19    HA   ALA   3           HA       ALA   3  -1.241  -6.870   2.641
   20   1HB   ALA   3          1HB       ALA   3  -0.063  -4.458   2.359
   21   2HB   ALA   3          2HB       ALA   3  -0.506  -4.815   0.698
   22   3HB   ALA   3          3HB       ALA   3   0.505  -5.937   1.610
   23    H    ILE   4           H        ILE   4  -0.561  -5.057   4.318
   24    HA   ILE   4           HA       ILE   4  -2.955  -3.551   5.063
   25    HB   ILE   4           HB       ILE   4  -3.143  -5.668   6.238
   26   1HG1  ILE   4          2HG1      ILE   4  -2.264  -3.963   8.487
   27   2HG1  ILE   4          1HG1      ILE   4  -3.410  -3.225   7.376
   28   1HG2  ILE   4          1HG2      ILE   4  -0.828  -6.348   6.265
   29   2HG2  ILE   4          2HG2      ILE   4  -1.470  -6.350   7.908
   30   3HG2  ILE   4          3HG2      ILE   4  -0.425  -5.035   7.372
   31   1HD1  ILE   4          1HD1      ILE   4  -3.785  -5.404   9.313
   32   2HD1  ILE   4          2HD1      ILE   4  -4.607  -5.598   7.765
   33   3HD1  ILE   4          3HD1      ILE   4  -4.909  -4.172   8.751
   34    H    ALA   5           H        ALA   5  -2.612  -1.704   6.215
   35    HA   ALA   5           HA       ALA   5  -0.025  -0.497   6.104
   36   1HB   ALA   5          1HB       ALA   5  -2.189   0.703   7.718
   37   2HB   ALA   5          2HB       ALA   5  -2.472   0.510   5.998
   38   3HB   ALA   5          3HB       ALA   5  -1.095   1.455   6.564
   39    H    LYS   6           H        LYS   6   1.558  -0.494   7.522
   40    HA   LYS   6           HA       LYS   6   1.096  -1.602  10.189
   41   1HB   LYS   6          2HB       LYS   6   3.115  -2.155   8.623
   42   2HB   LYS   6          1HB       LYS   6   3.765  -0.636   9.212
   43   1HG   LYS   6          2HG       LYS   6   4.597  -2.578  10.464
   44   2HG   LYS   6          1HG       LYS   6   3.719  -1.438  11.482
   45   1HD   LYS   6          2HD       LYS   6   3.043  -3.648  12.097
   46   2HD   LYS   6          1HD       LYS   6   1.701  -2.895  11.239
   47   1HE   LYS   6          2HE       LYS   6   3.682  -4.541   9.735
   48   2HE   LYS   6          1HE       LYS   6   2.418  -5.334  10.677
   49   1HZ   LYS   6          1HZ       LYS   6   1.916  -3.295   8.581
   50   2HZ   LYS   6          2HZ       LYS   6   0.753  -4.180   9.425
   51   3HZ   LYS   6          3HZ       LYS   6   1.799  -4.952   8.367
   52    H    HIS   7           H        HIS   7   1.738   1.393   8.596
   53    HA   HIS   7           HA       HIS   7   1.340   2.853  11.100
   54   1HB   HIS   7          2HB       HIS   7   3.572   3.506   9.155
   55   2HB   HIS   7          1HB       HIS   7   3.186   4.384  10.629
   56    HD1  HIS   7           HD1      HIS   7   4.775   1.213   9.412
   57    HD2  HIS   7           HD2      HIS   7   4.180   3.265  12.976
   58    HE1  HIS   7           HE1      HIS   7   6.250   0.072  11.098
   59    HE2  HIS   7           HE2      HIS   7   5.954   1.400  13.219
   60    H    ASP   8           H        ASP   8   1.236   5.241  10.529
   61    HA   ASP   8           HA       ASP   8  -0.909   5.483   8.629
   62   1HB   ASP   8          2HB       ASP   8   0.015   6.894  10.986
   63   2HB   ASP   8          1HB       ASP   8  -0.377   8.023   9.693
   64    H    PHE   9           H        PHE   9  -1.007   6.720   6.790
   65    HA   PHE   9           HA       PHE   9   1.388   8.210   6.050
   66   1HB   PHE   9          2HB       PHE   9   1.401   5.851   5.033
   67   2HB   PHE   9          1HB       PHE   9   0.042   6.387   4.052
   68    HD1  PHE   9           HD1      PHE   9   0.623   6.868   1.904
   69    HD2  PHE   9           HD2      PHE   9   3.352   7.819   5.026
   70    HE1  PHE   9           HE1      PHE   9   2.187   7.795   0.247
   71    HE2  PHE   9           HE2      PHE   9   4.921   8.750   3.376
   72    HZ   PHE   9           HZ       PHE   9   4.339   8.740   0.983
   73    H    SER  10           H        SER  10   0.776  10.222   5.474
   74    HA   SER  10           HA       SER  10  -1.835  10.541   4.131
   75   1HB   SER  10          2HB       SER  10  -0.530  12.213   6.247
   76   2HB   SER  10          1HB       SER  10  -1.524  13.016   5.033
   77    HG   SER  10           HG       SER  10  -3.061  12.481   6.386
   78    H    ALA  11           H        ALA  11  -1.777  10.942   2.223
   79    HA   ALA  11           HA       ALA  11   0.394  11.439   0.603
   80   1HB   ALA  11          1HB       ALA  11  -1.500  12.148  -1.038
   81   2HB   ALA  11          2HB       ALA  11  -2.569  11.634   0.267
   82   3HB   ALA  11          3HB       ALA  11  -1.430  10.489  -0.444
   83    H    THR  12           H        THR  12   1.249  13.191  -0.347
   84    HA   THR  12           HA       THR  12   0.332  15.841   0.584
   85    HB   THR  12           HB       THR  12   2.565  15.299   1.431
   86    HG1  THR  12           HG1      THR  12   3.226  17.099  -0.575
   87   1HG2  THR  12          1HG2      THR  12   4.156  15.456  -0.903
   88   2HG2  THR  12          2HG2      THR  12   2.992  14.152  -1.120
   89   3HG2  THR  12          3HG2      THR  12   4.058  14.154   0.280
   90    H    ALA  13           H        ALA  13   1.870  14.285  -2.212
   91    HA   ALA  13           HA       ALA  13   1.114  16.461  -3.957
   92   1HB   ALA  13          1HB       ALA  13   2.098  14.983  -5.727
   93   2HB   ALA  13          2HB       ALA  13   2.429  13.796  -4.466
   94   3HB   ALA  13          3HB       ALA  13   3.199  15.382  -4.407
   95    H    ASP  14           H        ASP  14  -0.100  16.081  -5.916
   96    HA   ASP  14           HA       ASP  14  -2.651  15.008  -5.401
   97   1HB   ASP  14          2HB       ASP  14  -1.806  16.893  -7.071
   98   2HB   ASP  14          1HB       ASP  14  -1.818  15.552  -8.212
   99    H    ASP  15           H        ASP  15   0.135  13.684  -7.028
  100    HA   ASP  15           HA       ASP  15  -1.453  11.512  -8.140
  101   1HB   ASP  15          2HB       ASP  15   0.781  10.871  -9.191
  102   2HB   ASP  15          1HB       ASP  15   0.077  12.401  -9.703
  103    H    GLU  16           H        GLU  16  -0.453  11.956  -5.249
  104    HA   GLU  16           HA       GLU  16   0.862   9.393  -4.745
  105   1HB   GLU  16          2HB       GLU  16   0.935  12.056  -3.588
  106   2HB   GLU  16          1HB       GLU  16   0.651  10.834  -2.362
  107   1HG   GLU  16          2HG       GLU  16   2.942  11.062  -2.370
  108   2HG   GLU  16          1HG       GLU  16   2.683   9.650  -3.375
  109    H    LEU  17           H        LEU  17   0.150   8.184  -2.765
  110    HA   LEU  17           HA       LEU  17  -2.777   8.412  -2.423
  111   1HB   LEU  17          2HB       LEU  17  -1.751   6.411  -3.737
  112   2HB   LEU  17          1HB       LEU  17  -1.318   5.822  -2.157
  113    HG   LEU  17           HG       LEU  17  -3.758   6.012  -1.533
  114   1HD1  LEU  17          1HD1      LEU  17  -4.550   7.509  -3.208
  115   2HD1  LEU  17          2HD1      LEU  17  -5.318   5.947  -3.495
  116   3HD1  LEU  17          3HD1      LEU  17  -3.966   6.463  -4.501
  117   1HD2  LEU  17          1HD2      LEU  17  -3.684   3.813  -1.856
  118   2HD2  LEU  17          2HD2      LEU  17  -2.361   4.014  -3.004
  119   3HD2  LEU  17          3HD2      LEU  17  -4.032   4.053  -3.567
  120    H    SER  18           H        SER  18  -3.611   8.308  -0.383
  121    HA   SER  18           HA       SER  18  -1.679   8.076   1.818
  122   1HB   SER  18          2HB       SER  18  -3.321   9.311   3.163
  123   2HB   SER  18          1HB       SER  18  -2.857  10.210   1.723
  124    HG   SER  18           HG       SER  18  -5.016   8.626   1.268
  125    H    PHE  19           H        PHE  19  -2.276   6.937   3.691
  126    HA   PHE  19           HA       PHE  19  -4.663   5.332   3.782
  127   1HB   PHE  19          2HB       PHE  19  -2.938   4.213   2.140
  128   2HB   PHE  19          1HB       PHE  19  -2.163   3.688   3.627
  129    HD1  PHE  19           HD1      PHE  19  -2.539   1.417   3.785
  130    HD2  PHE  19           HD2      PHE  19  -5.749   3.989   2.772
  131    HE1  PHE  19           HE1      PHE  19  -4.090  -0.491   3.891
  132    HE2  PHE  19           HE2      PHE  19  -7.318   2.091   2.855
  133    HZ   PHE  19           HZ       PHE  19  -6.483  -0.156   3.422
  134    H    ARG  20           H        ARG  20  -4.868   4.040   5.744
  135    HA   ARG  20           HA       ARG  20  -3.022   5.013   7.807
  136   1HB   ARG  20          2HB       ARG  20  -5.980   4.444   7.970
  137   2HB   ARG  20          1HB       ARG  20  -4.977   4.684   9.392
  138   1HG   ARG  20          2HG       ARG  20  -4.939   6.902   9.137
  139   2HG   ARG  20          1HG       ARG  20  -4.700   6.797   7.393
  140   1HD   ARG  20          2HD       ARG  20  -7.070   6.371   7.072
  141   2HD   ARG  20          1HD       ARG  20  -7.325   6.379   8.815
  142    HE   ARG  20           HE       ARG  20  -6.513   8.742   7.246
  143   1HH1  ARG  20          1HH1      ARG  20  -8.211   7.303   9.948
  144   2HH1  ARG  20          2HH1      ARG  20  -8.851   8.811  10.502
  145   1HH2  ARG  20          1HH2      ARG  20  -7.364  10.720   7.983
  146   2HH2  ARG  20          2HH2      ARG  20  -8.373  10.746   9.392
  147    H    LYS  21           H        LYS  21  -2.606   3.683   9.626
  148    HA   LYS  21           HA       LYS  21  -1.824   1.102   9.061
  149   1HB   LYS  21          2HB       LYS  21  -1.472   0.761  11.409
  150   2HB   LYS  21          1HB       LYS  21  -1.021   2.405  10.987
  151   1HG   LYS  21          2HG       LYS  21  -2.677   3.329  12.226
  152   2HG   LYS  21          1HG       LYS  21  -3.785   1.982  11.957
  153   1HD   LYS  21          2HD       LYS  21  -2.513   0.609  13.519
  154   2HD   LYS  21          1HD       LYS  21  -1.367   1.927  13.762
  155   1HE   LYS  21          2HE       LYS  21  -4.231   2.523  14.229
  156   2HE   LYS  21          1HE       LYS  21  -3.430   1.477  15.399
  157   1HZ   LYS  21          1HZ       LYS  21  -2.787   3.382  16.334
  158   2HZ   LYS  21          2HZ       LYS  21  -3.129   4.305  14.959
  159   3HZ   LYS  21          3HZ       LYS  21  -1.653   3.486  15.082
  160    H    GLY  22           H        GLY  22  -2.711  -0.745  10.770
  161   1HA   GLY  22          2HA       GLY  22  -4.303  -2.394  10.901
  162   2HA   GLY  22          1HA       GLY  22  -5.389  -1.079  11.285
  163    H    GLN  23           H        GLN  23  -5.047   0.050   8.422
  164    HA   GLN  23           HA       GLN  23  -7.281  -1.370   7.358
  165   1HB   GLN  23          2HB       GLN  23  -5.627   0.929   6.397
  166   2HB   GLN  23          1HB       GLN  23  -6.826   0.185   5.358
  167   1HG   GLN  23          2HG       GLN  23  -7.205   1.796   7.826
  168   2HG   GLN  23          1HG       GLN  23  -7.967   1.948   6.247
  169   1HE2  GLN  23          1HE2      GLN  23  -8.584   1.233   9.316
  170   2HE2  GLN  23          2HE2      GLN  23  -9.909   0.140   9.131
  171    H    ILE  24           H        ILE  24  -7.515  -2.145   5.110
  172    HA   ILE  24           HA       ILE  24  -5.097  -3.592   4.275
  173    HB   ILE  24           HB       ILE  24  -6.722  -5.092   3.057
  174   1HG1  ILE  24          2HG1      ILE  24  -8.798  -3.888   4.881
  175   2HG1  ILE  24          1HG1      ILE  24  -8.586  -3.320   3.229
  176   1HG2  ILE  24          1HG2      ILE  24  -7.297  -6.344   5.062
  177   2HG2  ILE  24          2HG2      ILE  24  -6.984  -4.922   6.056
  178   3HG2  ILE  24          3HG2      ILE  24  -5.662  -5.694   5.182
  179   1HD1  ILE  24          1HD1      ILE  24  -9.019  -6.220   3.810
  180   2HD1  ILE  24          2HD1      ILE  24  -9.305  -5.328   2.316
  181   3HD1  ILE  24          3HD1      ILE  24 -10.373  -5.096   3.700
  182    H    LEU  25           H        LEU  25  -4.070  -2.688   2.681
  183    HA   LEU  25           HA       LEU  25  -5.501  -1.225   0.589
  184   1HB   LEU  25          2HB       LEU  25  -3.688  -0.025   1.538
  185   2HB   LEU  25          1HB       LEU  25  -2.617  -1.403   1.429
  186    HG   LEU  25           HG       LEU  25  -2.905  -1.115  -1.140
  187   1HD1  LEU  25          1HD1      LEU  25  -4.745   0.542  -0.908
  188   2HD1  LEU  25          2HD1      LEU  25  -3.389   1.116  -1.873
  189   3HD1  LEU  25          3HD1      LEU  25  -3.582   1.669  -0.212
  190   1HD2  LEU  25          1HD2      LEU  25  -1.194   0.889  -0.910
  191   2HD2  LEU  25          2HD2      LEU  25  -0.780  -0.757  -0.438
  192   3HD2  LEU  25          3HD2      LEU  25  -1.255   0.418   0.789
  193    H    LYS  26           H        LYS  26  -5.549  -1.860  -1.554
  194    HA   LYS  26           HA       LYS  26  -4.601  -4.557  -2.159
  195   1HB   LYS  26          2HB       LYS  26  -6.842  -2.944  -2.954
  196   2HB   LYS  26          1HB       LYS  26  -5.954  -3.440  -4.386
  197   1HG   LYS  26          2HG       LYS  26  -6.216  -5.710  -2.708
  198   2HG   LYS  26          1HG       LYS  26  -7.795  -4.930  -2.826
  199   1HD   LYS  26          2HD       LYS  26  -6.061  -5.622  -5.190
  200   2HD   LYS  26          1HD       LYS  26  -7.365  -6.645  -4.585
  201   1HE   LYS  26          2HE       LYS  26  -7.713  -3.796  -5.499
  202   2HE   LYS  26          1HE       LYS  26  -7.995  -5.209  -6.514
  203   1HZ   LYS  26          1HZ       LYS  26  -9.936  -5.634  -5.524
  204   2HZ   LYS  26          2HZ       LYS  26  -9.869  -4.023  -5.014
  205   3HZ   LYS  26          3HZ       LYS  26  -9.370  -5.260  -3.974
  206    H    ILE  27           H        ILE  27  -2.904  -4.968  -3.442
  207    HA   ILE  27           HA       ILE  27  -1.644  -2.713  -4.831
  208    HB   ILE  27           HB       ILE  27  -0.540  -5.427  -4.096
  209   1HG1  ILE  27          2HG1      ILE  27   0.848  -3.083  -3.109
  210   2HG1  ILE  27          1HG1      ILE  27  -0.833  -3.083  -2.601
  211   1HG2  ILE  27          1HG2      ILE  27   1.334  -5.063  -5.302
  212   2HG2  ILE  27          2HG2      ILE  27   1.295  -3.320  -5.037
  213   3HG2  ILE  27          3HG2      ILE  27   0.273  -4.046  -6.272
  214   1HD1  ILE  27          1HD1      ILE  27   0.982  -4.199  -1.129
  215   2HD1  ILE  27          2HD1      ILE  27   0.816  -5.541  -2.260
  216   3HD1  ILE  27          3HD1      ILE  27  -0.582  -4.986  -1.341
  217    H    LEU  28           H        LEU  28  -1.444  -2.621  -6.982
  218    HA   LEU  28           HA       LEU  28  -2.583  -4.814  -8.607
  219   1HB   LEU  28          2HB       LEU  28  -2.851  -2.934 -10.334
  220   2HB   LEU  28          1HB       LEU  28  -3.966  -2.996  -8.988
  221    HG   LEU  28           HG       LEU  28  -3.143  -0.714  -9.647
  222   1HD1  LEU  28          1HD1      LEU  28  -3.348  -1.876  -6.997
  223   2HD1  LEU  28          2HD1      LEU  28  -4.011  -0.373  -7.639
  224   3HD1  LEU  28          3HD1      LEU  28  -2.356  -0.421  -7.045
  225   1HD2  LEU  28          1HD2      LEU  28  -0.756  -1.563  -9.954
  226   2HD2  LEU  28          2HD2      LEU  28  -0.620  -1.436  -8.204
  227   3HD2  LEU  28          3HD2      LEU  28  -0.979  -0.006  -9.165
  228    H    ASN  29           H        ASN  29   0.037  -4.899  -7.706
  229    HA   ASN  29           HA       ASN  29   1.554  -5.867  -9.553
  230   1HB   ASN  29          2HB       ASN  29   1.157  -3.707 -10.912
  231   2HB   ASN  29          1HB       ASN  29   2.372  -2.993  -9.860
  232   1HD2  ASN  29          1HD2      ASN  29   1.772  -4.994 -12.550
  233   2HD2  ASN  29          2HD2      ASN  29   3.411  -5.417 -12.898
  234    H    MET  30           H        MET  30   3.413  -6.519  -8.866
  235    HA   MET  30           HA       MET  30   4.892  -5.071  -6.815
  236   1HB   MET  30          2HB       MET  30   3.427  -6.536  -5.525
  237   2HB   MET  30          1HB       MET  30   3.914  -7.919  -6.493
  238   1HG   MET  30          2HG       MET  30   5.433  -8.332  -4.934
  239   2HG   MET  30          1HG       MET  30   6.303  -6.919  -5.529
  240   1HE   MET  30          1HE       MET  30   7.297  -7.442  -3.294
  241   2HE   MET  30          2HE       MET  30   6.673  -6.903  -1.736
  242   3HE   MET  30          3HE       MET  30   7.322  -5.728  -2.880
  243    H    GLU  31           H        GLU  31   7.063  -5.301  -7.066
  244    HA   GLU  31           HA       GLU  31   9.067  -6.611  -7.683
  245   1HB   GLU  31          2HB       GLU  31   7.165  -7.680  -9.735
  246   2HB   GLU  31          1HB       GLU  31   8.875  -7.585 -10.096
  247   1HG   GLU  31          2HG       GLU  31   8.833  -8.742  -7.603
  248   2HG   GLU  31          1HG       GLU  31   7.447  -9.467  -8.415
  249    H    ASP  32           H        ASP  32   6.887  -4.925 -10.024
  250    HA   ASP  32           HA       ASP  32   8.922  -4.016 -11.700
  251   1HB   ASP  32          2HB       ASP  32   6.479  -3.962 -12.180
  252   2HB   ASP  32          1HB       ASP  32   6.312  -2.643 -11.029
  253    H    ASP  33           H        ASP  33   7.360  -2.346  -8.939
  254    HA   ASP  33           HA       ASP  33   9.497  -0.331  -9.004
  255   1HB   ASP  33          2HB       ASP  33   7.522   0.015  -6.900
  256   2HB   ASP  33          1HB       ASP  33   8.002   1.142  -8.159
  257    H    SER  34           H        SER  34  11.077  -0.384  -7.390
  258    HA   SER  34           HA       SER  34  10.933  -2.619  -5.560
  259   1HB   SER  34          2HB       SER  34  13.123  -2.205  -6.544
  260   2HB   SER  34          1HB       SER  34  13.114  -0.541  -5.958
  261    HG   SER  34           HG       SER  34  13.136  -2.872  -4.338
  262    H    ASN  35           H        ASN  35  11.819   0.833  -4.873
  263    HA   ASN  35           HA       ASN  35  10.925   0.514  -2.166
  264   1HB   ASN  35          2HB       ASN  35  12.701   1.885  -2.087
  265   2HB   ASN  35          1HB       ASN  35  12.423   2.513  -3.702
  266   1HD2  ASN  35          1HD2      ASN  35  10.984   4.273  -3.962
  267   2HD2  ASN  35          2HD2      ASN  35  10.651   5.341  -2.647
  268    H    TRP  36           H        TRP  36   9.470   1.996  -4.964
  269    HA   TRP  36           HA       TRP  36   7.235   2.883  -3.229
  270   1HB   TRP  36          2HB       TRP  36   8.608   4.214  -5.364
  271   2HB   TRP  36          1HB       TRP  36   6.932   3.961  -5.843
  272    HD1  TRP  36           HD1      TRP  36   5.181   4.646  -3.556
  273    HE1  TRP  36           HE1      TRP  36   5.230   6.895  -2.307
  274    HE3  TRP  36           HE3      TRP  36   9.893   6.187  -4.827
  275    HZ2  TRP  36           HZ2      TRP  36   7.020   9.040  -1.915
  276    HZ3  TRP  36           HZ3      TRP  36  10.694   8.352  -3.971
  277    HH2  TRP  36           HH2      TRP  36   9.285   9.747  -2.546
  278    H    TYR  37           H        TYR  37   5.147   2.009  -3.643
  279    HA   TYR  37           HA       TYR  37   4.966   0.333  -6.053
  280   1HB   TYR  37          2HB       TYR  37   3.940  -1.472  -4.885
  281   2HB   TYR  37          1HB       TYR  37   5.409  -1.052  -4.016
  282    HD1  TYR  37           HD1      TYR  37   2.148  -2.004  -3.595
  283    HD2  TYR  37           HD2      TYR  37   4.923   0.847  -2.125
  284    HE1  TYR  37           HE1      TYR  37   0.848  -1.829  -1.512
  285    HE2  TYR  37           HE2      TYR  37   3.635   1.047  -0.044
  286    HH   TYR  37           HH       TYR  37   0.546  -0.479   0.355
  287    H    ARG  38           H        ARG  38   2.877  -0.051  -6.899
  288    HA   ARG  38           HA       ARG  38   1.063   2.168  -6.331
  289   1HB   ARG  38          2HB       ARG  38   1.275   0.290  -8.686
  290   2HB   ARG  38          1HB       ARG  38  -0.032   1.449  -8.495
  291   1HG   ARG  38          2HG       ARG  38   1.766   3.231  -8.362
  292   2HG   ARG  38          1HG       ARG  38   2.883   1.988  -8.934
  293   1HD   ARG  38          2HD       ARG  38   1.687   1.718 -10.963
  294   2HD   ARG  38          1HD       ARG  38   0.326   2.662 -10.364
  295    HE   ARG  38           HE       ARG  38   2.969   3.866 -10.865
  296   1HH1  ARG  38          1HH1      ARG  38  -0.506   3.869 -11.248
  297   2HH1  ARG  38          2HH1      ARG  38  -0.535   5.397 -12.057
  298   1HH2  ARG  38          1HH2      ARG  38   2.921   5.873 -11.933
  299   2HH2  ARG  38          2HH2      ARG  38   1.404   6.533 -12.447
  300    H    ALA  39           H        ALA  39  -0.810   1.916  -5.339
  301    HA   ALA  39           HA       ALA  39  -2.130  -0.689  -5.389
  302   1HB   ALA  39          1HB       ALA  39  -2.096   0.639  -2.761
  303   2HB   ALA  39          2HB       ALA  39  -0.624  -0.176  -3.274
  304   3HB   ALA  39          3HB       ALA  39  -2.137  -1.072  -3.170
  305    H    GLU  40           H        GLU  40  -4.320  -0.522  -4.256
  306    HA   GLU  40           HA       GLU  40  -5.594   2.068  -4.857
  307   1HB   GLU  40          2HB       GLU  40  -6.263  -0.665  -5.752
  308   2HB   GLU  40          1HB       GLU  40  -7.624   0.264  -5.137
  309   1HG   GLU  40          2HG       GLU  40  -6.716   2.115  -6.729
  310   2HG   GLU  40          1HG       GLU  40  -5.916   0.761  -7.526
  311    H    LEU  41           H        LEU  41  -7.190   2.755  -3.429
  312    HA   LEU  41           HA       LEU  41  -7.971   0.999  -1.243
  313   1HB   LEU  41          2HB       LEU  41  -7.267   2.358   0.489
  314   2HB   LEU  41          1HB       LEU  41  -5.931   2.492  -0.635
  315    HG   LEU  41           HG       LEU  41  -8.069   4.564  -0.784
  316   1HD1  LEU  41          1HD1      LEU  41  -6.024   5.351   1.062
  317   2HD1  LEU  41          2HD1      LEU  41  -6.891   3.938   1.650
  318   3HD1  LEU  41          3HD1      LEU  41  -7.776   5.400   1.240
  319   1HD2  LEU  41          1HD2      LEU  41  -6.448   5.833  -1.744
  320   2HD2  LEU  41          2HD2      LEU  41  -5.830   4.235  -2.162
  321   3HD2  LEU  41          3HD2      LEU  41  -5.159   5.108  -0.785
  322    H    ASP  42           H        ASP  42 -10.076   1.134  -0.912
  323    HA   ASP  42           HA       ASP  42 -12.256   1.701  -1.226
  324   1HB   ASP  42          2HB       ASP  42 -11.139   4.480  -0.827
  325   2HB   ASP  42          1HB       ASP  42 -12.852   4.071  -0.795
  326    H    GLY  43           H        GLY  43 -10.539   1.502  -3.606
  327   1HA   GLY  43          2HA       GLY  43 -11.165   1.562  -5.860
  328   2HA   GLY  43          1HA       GLY  43 -12.397   2.747  -5.466
  329    H    LYS  44           H        LYS  44  -9.278   3.464  -4.234
  330    HA   LYS  44           HA       LYS  44  -8.838   5.362  -6.446
  331   1HB   LYS  44          2HB       LYS  44  -8.505   5.629  -3.471
  332   2HB   LYS  44          1HB       LYS  44  -7.520   6.606  -4.549
  333   1HG   LYS  44          2HG       LYS  44  -9.583   7.500  -5.565
  334   2HG   LYS  44          1HG       LYS  44 -10.525   6.585  -4.384
  335   1HD   LYS  44          2HD       LYS  44  -8.822   7.857  -2.736
  336   2HD   LYS  44          1HD       LYS  44  -8.912   9.037  -4.044
  337   1HE   LYS  44          2HE       LYS  44 -11.374   7.836  -2.816
  338   2HE   LYS  44          1HE       LYS  44 -10.590   9.256  -2.126
  339   1HZ   LYS  44          1HZ       LYS  44 -10.834  10.327  -4.333
  340   2HZ   LYS  44          2HZ       LYS  44 -12.308   9.981  -3.580
  341   3HZ   LYS  44          3HZ       LYS  44 -11.754   9.001  -4.843
  342    H    GLU  45           H        GLU  45  -6.783   5.444  -7.353
  343    HA   GLU  45           HA       GLU  45  -4.842   3.504  -6.278
  344   1HB   GLU  45          2HB       GLU  45  -3.977   3.315  -8.567
  345   2HB   GLU  45          1HB       GLU  45  -5.667   2.846  -8.438
  346   1HG   GLU  45          2HG       GLU  45  -6.148   4.234 -10.085
  347   2HG   GLU  45          1HG       GLU  45  -5.657   5.586  -9.065
  348    H    GLY  46           H        GLY  46  -2.796   4.028  -5.939
  349   1HA   GLY  46          2HA       GLY  46  -1.401   6.220  -7.029
  350   2HA   GLY  46          1HA       GLY  46  -1.997   6.662  -5.435
  351    H    LEU  47           H        LEU  47   0.701   6.613  -5.840
  352    HA   LEU  47           HA       LEU  47   1.818   4.084  -5.100
  353   1HB   LEU  47          2HB       LEU  47   3.912   5.043  -5.229
  354   2HB   LEU  47          1HB       LEU  47   2.975   5.902  -6.430
  355    HG   LEU  47           HG       LEU  47   3.809   6.924  -3.723
  356   1HD1  LEU  47          1HD1      LEU  47   4.971   7.015  -6.355
  357   2HD1  LEU  47          2HD1      LEU  47   5.615   7.612  -4.829
  358   3HD1  LEU  47          3HD1      LEU  47   4.571   8.641  -5.804
  359   1HD2  LEU  47          1HD2      LEU  47   2.649   8.891  -4.175
  360   2HD2  LEU  47          2HD2      LEU  47   1.501   7.602  -4.473
  361   3HD2  LEU  47          3HD2      LEU  47   2.285   8.424  -5.824
  362    H    ILE  48           H        ILE  48   2.967   3.597  -3.274
  363    HA   ILE  48           HA       ILE  48   2.499   5.095  -0.785
  364    HB   ILE  48           HB       ILE  48   1.870   2.146  -1.040
  365   1HG1  ILE  48          2HG1      ILE  48   0.220   3.599  -2.201
  366   2HG1  ILE  48          1HG1      ILE  48  -0.458   2.694  -0.852
  367   1HG2  ILE  48          1HG2      ILE  48   0.945   3.724   1.276
  368   2HG2  ILE  48          2HG2      ILE  48   2.661   3.359   1.185
  369   3HG2  ILE  48          3HG2      ILE  48   1.495   2.053   1.185
  370   1HD1  ILE  48          1HD1      ILE  48  -1.334   4.914  -0.829
  371   2HD1  ILE  48          2HD1      ILE  48   0.287   5.606  -0.875
  372   3HD1  ILE  48          3HD1      ILE  48  -0.255   4.721   0.549
  373    HA   PRO  49           HA       PRO  49   6.654   3.713  -0.176
  374   1HB   PRO  49          2HB       PRO  49   6.974   3.948   2.531
  375   2HB   PRO  49          1HB       PRO  49   6.918   5.345   1.451
  376   1HG   PRO  49          2HG       PRO  49   4.771   4.196   3.168
  377   2HG   PRO  49          1HG       PRO  49   5.156   5.890   2.857
  378   1HD   PRO  49          2HD       PRO  49   3.117   4.543   1.666
  379   2HD   PRO  49          1HD       PRO  49   3.933   5.920   0.920
  380    H    SER  50           H        SER  50   7.247   1.731  -0.431
  381    HA   SER  50           HA       SER  50   5.853  -0.537   0.268
  382   1HB   SER  50          2HB       SER  50   7.610  -0.370  -1.497
  383   2HB   SER  50          1HB       SER  50   8.830  -0.432  -0.223
  384    HG   SER  50           HG       SER  50   8.034  -2.477  -1.360
  385    H    ASN  51           H        ASN  51   8.375   0.962   2.155
  386    HA   ASN  51           HA       ASN  51   8.574  -1.217   4.032
  387   1HB   ASN  51          2HB       ASN  51  10.096   0.193   5.256
  388   2HB   ASN  51          1HB       ASN  51  10.469   0.327   3.543
  389   1HD2  ASN  51          1HD2      ASN  51   8.866   2.168   2.560
  390   2HD2  ASN  51          2HD2      ASN  51   9.013   3.671   3.384
  391    H    TYR  52           H        TYR  52   6.228   1.069   3.492
  392    HA   TYR  52           HA       TYR  52   5.486   1.354   6.320
  393   1HB   TYR  52          2HB       TYR  52   4.813   2.764   3.802
  394   2HB   TYR  52          1HB       TYR  52   3.578   2.733   5.051
  395    HD1  TYR  52           HD1      TYR  52   7.264   2.952   5.510
  396    HD2  TYR  52           HD2      TYR  52   3.527   4.972   5.753
  397    HE1  TYR  52           HE1      TYR  52   8.364   4.844   6.632
  398    HE2  TYR  52           HE2      TYR  52   4.616   6.867   6.876
  399    HH   TYR  52           HH       TYR  52   8.102   6.851   7.566
  400    H    ILE  53           H        ILE  53   4.969  -0.871   3.950
  401    HA   ILE  53           HA       ILE  53   2.327  -1.569   5.036
  402    HB   ILE  53           HB       ILE  53   2.859  -0.705   2.449
  403   1HG1  ILE  53          2HG1      ILE  53   0.725  -0.751   3.868
  404   2HG1  ILE  53          1HG1      ILE  53   0.563  -0.883   2.129
  405   1HG2  ILE  53          1HG2      ILE  53   2.141  -3.601   2.152
  406   2HG2  ILE  53          2HG2      ILE  53   3.804  -3.021   2.039
  407   3HG2  ILE  53          3HG2      ILE  53   2.586  -2.427   0.913
  408   1HD1  ILE  53          1HD1      ILE  53   0.555  -3.242   3.956
  409   2HD1  ILE  53          2HD1      ILE  53   0.137  -3.171   2.251
  410   3HD1  ILE  53          3HD1      ILE  53  -0.895  -2.385   3.438
  411    H    GLU  54           H        GLU  54   1.802  -3.991   4.459
  412    HA   GLU  54           HA       GLU  54   4.171  -5.670   4.304
  413   1HB   GLU  54          2HB       GLU  54   3.994  -6.724   6.378
  414   2HB   GLU  54          1HB       GLU  54   3.733  -5.031   6.760
  415   1HG   GLU  54          2HG       GLU  54   1.569  -5.349   7.331
  416   2HG   GLU  54          1HG       GLU  54   1.333  -6.690   6.227
  417    H    MET  55           H        MET  55   3.801  -7.645   3.448
  418    HA   MET  55           HA       MET  55   1.081  -8.149   2.495
  419   1HB   MET  55          2HB       MET  55   3.313  -9.864   1.566
  420   2HB   MET  55          1HB       MET  55   1.967  -9.185   0.667
  421   1HG   MET  55          2HG       MET  55   4.193  -7.431   1.629
  422   2HG   MET  55          1HG       MET  55   4.364  -8.389   0.163
  423   1HE   MET  55          1HE       MET  55   4.895  -5.877  -0.881
  424   2HE   MET  55          2HE       MET  55   4.420  -5.081   0.620
  425   3HE   MET  55          3HE       MET  55   3.689  -4.591  -0.908
  426    H    LYS  56           H        LYS  56   0.240 -10.340   2.461
  427    HA   LYS  56           HA       LYS  56   1.135 -11.880   4.807
  428   1HB   LYS  56          2HB       LYS  56  -1.533 -11.098   3.834
  429   2HB   LYS  56          1HB       LYS  56  -1.409 -12.759   4.389
  430   1HG   LYS  56          2HG       LYS  56  -0.448 -10.457   6.045
  431   2HG   LYS  56          1HG       LYS  56  -2.118 -11.028   6.085
  432   1HD   LYS  56          2HD       LYS  56  -0.597 -13.341   6.329
  433   2HD   LYS  56          1HD       LYS  56   0.256 -12.156   7.318
  434   1HE   LYS  56          2HE       LYS  56  -1.285 -12.310   8.914
  435   2HE   LYS  56          1HE       LYS  56  -2.570 -11.946   7.765
  436   1HZ   LYS  56          1HZ       LYS  56  -2.386 -14.375   7.106
  437   2HZ   LYS  56          2HZ       LYS  56  -3.088 -14.043   8.608
  438   3HZ   LYS  56          3HZ       LYS  56  -1.490 -14.591   8.526
  439    H    ASN  57           H        ASN  57  -1.213 -13.588   3.087
  440    HA   ASN  57           HA       ASN  57  -1.132 -15.586   2.024
  441   1HB   ASN  57          2HB       ASN  57  -0.626 -13.823   0.239
  442   2HB   ASN  57          1HB       ASN  57   1.047 -14.362   0.344
  443   1HD2  ASN  57          1HD2      ASN  57  -2.216 -15.281  -0.503
  444   2HD2  ASN  57          2HD2      ASN  57  -1.788 -16.644  -1.476
  445    H    HIS  58           H        HIS  58  -0.158 -16.663   3.973
  446    HA   HIS  58           HA       HIS  58   1.282 -18.121   4.890
  447   1HB   HIS  58          2HB       HIS  58   1.873 -18.337   2.029
  448   2HB   HIS  58          1HB       HIS  58   3.210 -18.816   3.063
  449    HD1  HIS  58           HD1      HIS  58  -0.130 -19.460   4.469
  450    HD2  HIS  58           HD2      HIS  58   2.693 -21.487   2.192
  451    HE1  HIS  58           HE1      HIS  58  -0.814 -21.878   4.546
  452    HE2  HIS  58           HE2      HIS  58   0.902 -23.086   3.152
  453    H    ASP  59           H        ASP  59   4.246 -17.952   3.564
  454    HA   ASP  59           HA       ASP  59   5.114 -15.938   5.462
  455   1HB   ASP  59          2HB       ASP  59   6.579 -18.064   3.897
  456   2HB   ASP  59          1HB       ASP  59   7.412 -16.857   4.873
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1  -5.131  -8.082   3.720
    2   2H    MET   1          2H        MET   1  -6.775  -7.963   3.256
    3   3H    MET   1          3H        MET   1  -5.562  -7.147   2.354
    4    HA   MET   1           HA       MET   1  -5.579 -10.057   2.694
    5   1HB   MET   1          2HB       MET   1  -7.595  -8.579   1.472
    6   2HB   MET   1          1HB       MET   1  -6.561  -9.051   0.136
    7   1HG   MET   1          2HG       MET   1  -6.910 -11.320   1.753
    8   2HG   MET   1          1HG       MET   1  -8.494 -10.592   1.540
    9   1HE   MET   1          1HE       MET   1  -6.756 -13.613  -0.395
   10   2HE   MET   1          2HE       MET   1  -5.723 -12.475   0.468
   11   3HE   MET   1          3HE       MET   1  -5.668 -12.554  -1.292
   12    H    GLU   2           H        GLU   2  -5.189  -7.900  -0.139
   13    HA   GLU   2           HA       GLU   2  -2.862  -9.189  -1.071
   14   1HB   GLU   2          2HB       GLU   2  -3.513  -6.235  -1.418
   15   2HB   GLU   2          1HB       GLU   2  -2.573  -7.236  -2.516
   16   1HG   GLU   2          2HG       GLU   2  -5.524  -7.496  -1.983
   17   2HG   GLU   2          1HG       GLU   2  -4.775  -6.775  -3.396
   18    H    ALA   3           H        ALA   3  -3.222  -6.102   0.660
   19    HA   ALA   3           HA       ALA   3  -0.867  -6.679   2.256
   20   1HB   ALA   3          1HB       ALA   3  -0.943  -4.076   0.756
   21   2HB   ALA   3          2HB       ALA   3  -0.091  -5.497   0.147
   22   3HB   ALA   3          3HB       ALA   3   0.375  -4.780   1.687
   23    H    ILE   4           H        ILE   4  -0.551  -5.016   3.972
   24    HA   ILE   4           HA       ILE   4  -3.026  -3.578   4.625
   25    HB   ILE   4           HB       ILE   4  -1.714  -5.719   6.250
   26   1HG1  ILE   4          2HG1      ILE   4  -4.536  -5.434   6.617
   27   2HG1  ILE   4          1HG1      ILE   4  -4.171  -5.343   4.897
   28   1HG2  ILE   4          1HG2      ILE   4  -2.770  -4.999   8.295
   29   2HG2  ILE   4          2HG2      ILE   4  -3.411  -3.565   7.505
   30   3HG2  ILE   4          3HG2      ILE   4  -1.671  -3.742   7.732
   31   1HD1  ILE   4          1HD1      ILE   4  -4.131  -7.547   4.887
   32   2HD1  ILE   4          2HD1      ILE   4  -4.225  -7.620   6.643
   33   3HD1  ILE   4          3HD1      ILE   4  -2.657  -7.476   5.847
   34    H    ALA   5           H        ALA   5  -2.818  -1.689   5.690
   35    HA   ALA   5           HA       ALA   5  -0.312  -0.329   5.700
   36   1HB   ALA   5          1HB       ALA   5  -2.053   1.170   7.237
   37   2HB   ALA   5          2HB       ALA   5  -3.104   0.305   6.114
   38   3HB   ALA   5          3HB       ALA   5  -1.794   1.300   5.500
   39    H    LYS   6           H        LYS   6   1.198  -0.151   7.166
   40    HA   LYS   6           HA       LYS   6   0.692  -1.250   9.830
   41   1HB   LYS   6          2HB       LYS   6   2.666  -2.077   8.626
   42   2HB   LYS   6          1HB       LYS   6   3.305  -0.443   8.549
   43   1HG   LYS   6          2HG       LYS   6   4.141  -2.145  10.357
   44   2HG   LYS   6          1HG       LYS   6   3.948  -0.438  10.739
   45   1HD   LYS   6          2HD       LYS   6   3.059  -1.858  12.515
   46   2HD   LYS   6          1HD       LYS   6   1.779  -0.910  11.767
   47   1HE   LYS   6          2HE       LYS   6   1.914  -3.305  10.316
   48   2HE   LYS   6          1HE       LYS   6   2.035  -3.757  12.017
   49   1HZ   LYS   6          1HZ       LYS   6   0.043  -1.880  11.938
   50   2HZ   LYS   6          2HZ       LYS   6  -0.163  -3.553  12.076
   51   3HZ   LYS   6          3HZ       LYS   6  -0.227  -2.818  10.555
   52    H    HIS   7           H        HIS   7   1.285   1.726   8.191
   53    HA   HIS   7           HA       HIS   7   0.749   3.230  10.618
   54   1HB   HIS   7          2HB       HIS   7   2.894   4.565   9.176
   55   2HB   HIS   7          1HB       HIS   7   2.748   4.222  10.893
   56    HD1  HIS   7           HD1      HIS   7   4.429   2.647  11.798
   57    HD2  HIS   7           HD2      HIS   7   3.957   2.222   7.691
   58    HE1  HIS   7           HE1      HIS   7   6.173   0.980  11.090
   59    HE2  HIS   7           HE2      HIS   7   5.839   0.703   8.609
   60    H    ASP   8           H        ASP   8   0.787   5.636  10.034
   61    HA   ASP   8           HA       ASP   8  -1.189   5.937   7.973
   62   1HB   ASP   8          2HB       ASP   8  -1.306   6.971  10.259
   63   2HB   ASP   8          1HB       ASP   8  -0.059   8.092   9.753
   64    H    PHE   9           H        PHE   9  -1.127   7.184   6.114
   65    HA   PHE   9           HA       PHE   9   1.345   8.615   5.546
   66   1HB   PHE   9          2HB       PHE   9   1.446   6.259   4.553
   67   2HB   PHE   9          1HB       PHE   9   0.150   6.763   3.474
   68    HD1  PHE   9           HD1      PHE   9   3.687   7.140   4.315
   69    HD2  PHE   9           HD2      PHE   9   0.561   8.311   1.675
   70    HE1  PHE   9           HE1      PHE   9   5.354   8.035   2.745
   71    HE2  PHE   9           HE2      PHE   9   2.224   9.211   0.100
   72    HZ   PHE   9           HZ       PHE   9   4.625   9.073   0.634
   73    H    SER  10           H        SER  10   0.983  10.553   4.511
   74    HA   SER  10           HA       SER  10  -1.540  10.903   3.015
   75   1HB   SER  10          2HB       SER  10  -1.578  11.981   5.334
   76   2HB   SER  10          1HB       SER  10  -0.339  13.080   4.731
   77    HG   SER  10           HG       SER  10  -2.025  13.342   2.923
   78    H    ALA  11           H        ALA  11  -1.406  11.476   1.101
   79    HA   ALA  11           HA       ALA  11   0.898  11.777  -0.380
   80   1HB   ALA  11          1HB       ALA  11  -1.112  11.049  -1.393
   81   2HB   ALA  11          2HB       ALA  11  -0.661  12.561  -2.182
   82   3HB   ALA  11          3HB       ALA  11  -1.946  12.545  -0.975
   83    H    THR  12           H        THR  12   2.040  13.388  -1.255
   84    HA   THR  12           HA       THR  12   1.432  16.167  -0.448
   85    HB   THR  12           HB       THR  12   3.953  16.481  -0.570
   86    HG1  THR  12           HG1      THR  12   5.193  14.627  -0.481
   87   1HG2  THR  12          1HG2      THR  12   2.430  15.743   1.533
   88   2HG2  THR  12          2HG2      THR  12   4.151  16.118   1.624
   89   3HG2  THR  12          3HG2      THR  12   3.618  14.441   1.502
   90    H    ALA  13           H        ALA  13   2.095  14.087  -3.071
   91    HA   ALA  13           HA       ALA  13   1.772  16.099  -5.088
   92   1HB   ALA  13          1HB       ALA  13   4.430  14.693  -5.175
   93   2HB   ALA  13          2HB       ALA  13   4.228  16.267  -4.405
   94   3HB   ALA  13          3HB       ALA  13   3.880  16.074  -6.124
   95    H    ASP  14           H        ASP  14   3.273  14.426  -7.041
   96    HA   ASP  14           HA       ASP  14   1.686  13.086  -8.534
   97   1HB   ASP  14          2HB       ASP  14   3.290  11.077  -8.732
   98   2HB   ASP  14          1HB       ASP  14   3.835  12.692  -9.172
   99    H    ASP  15           H        ASP  15  -0.197  12.536  -7.941
  100    HA   ASP  15           HA       ASP  15  -1.643  11.628  -6.225
  101   1HB   ASP  15          2HB       ASP  15  -2.388   9.435  -7.528
  102   2HB   ASP  15          1HB       ASP  15  -2.790  11.063  -8.063
  103    H    GLU  16           H        GLU  16  -0.724  11.147  -4.402
  104    HA   GLU  16           HA       GLU  16   0.352   8.443  -3.927
  105   1HB   GLU  16          2HB       GLU  16   0.568  11.059  -2.588
  106   2HB   GLU  16          1HB       GLU  16   0.469   9.654  -1.534
  107   1HG   GLU  16          2HG       GLU  16   2.570   9.086  -1.965
  108   2HG   GLU  16          1HG       GLU  16   2.324   9.233  -3.703
  109    H    LEU  17           H        LEU  17  -0.438   7.358  -1.928
  110    HA   LEU  17           HA       LEU  17  -3.330   7.833  -1.616
  111   1HB   LEU  17          2HB       LEU  17  -2.233   5.628  -2.738
  112   2HB   LEU  17          1HB       LEU  17  -2.330   5.120  -1.062
  113    HG   LEU  17           HG       LEU  17  -4.761   5.684  -1.087
  114   1HD1  LEU  17          1HD1      LEU  17  -4.166   7.075  -3.370
  115   2HD1  LEU  17          2HD1      LEU  17  -5.785   6.635  -2.825
  116   3HD1  LEU  17          3HD1      LEU  17  -4.942   5.621  -3.996
  117   1HD2  LEU  17          1HD2      LEU  17  -5.378   3.649  -1.972
  118   2HD2  LEU  17          2HD2      LEU  17  -3.662   3.402  -1.666
  119   3HD2  LEU  17          3HD2      LEU  17  -4.227   3.750  -3.300
  120    H    SER  18           H        SER  18  -4.191   7.943   0.365
  121    HA   SER  18           HA       SER  18  -2.333   7.944   2.599
  122   1HB   SER  18          2HB       SER  18  -5.215   8.830   2.406
  123   2HB   SER  18          1HB       SER  18  -4.241   8.933   3.872
  124    HG   SER  18           HG       SER  18  -2.748  10.120   2.251
  125    H    PHE  19           H        PHE  19  -2.737   6.793   4.595
  126    HA   PHE  19           HA       PHE  19  -4.906   4.965   4.770
  127   1HB   PHE  19          2HB       PHE  19  -3.455   2.878   4.832
  128   2HB   PHE  19          1HB       PHE  19  -3.798   3.564   3.251
  129    HD1  PHE  19           HD1      PHE  19  -1.229   2.896   5.749
  130    HD2  PHE  19           HD2      PHE  19  -2.045   4.632   1.957
  131    HE1  PHE  19           HE1      PHE  19   1.174   2.907   5.248
  132    HE2  PHE  19           HE2      PHE  19   0.358   4.655   1.469
  133    HZ   PHE  19           HZ       PHE  19   1.974   3.793   3.095
  134    H    ARG  20           H        ARG  20  -4.901   3.652   6.686
  135    HA   ARG  20           HA       ARG  20  -3.232   4.803   8.839
  136   1HB   ARG  20          2HB       ARG  20  -5.564   5.618   8.862
  137   2HB   ARG  20          1HB       ARG  20  -6.132   3.961   8.990
  138   1HG   ARG  20          2HG       ARG  20  -4.613   3.941  11.129
  139   2HG   ARG  20          1HG       ARG  20  -4.832   5.686  11.032
  140   1HD   ARG  20          2HD       ARG  20  -7.051   5.565  11.509
  141   2HD   ARG  20          1HD       ARG  20  -7.239   3.989  10.746
  142    HE   ARG  20           HE       ARG  20  -6.078   4.423  13.422
  143   1HH1  ARG  20          1HH1      ARG  20  -7.818   2.433  11.134
  144   2HH1  ARG  20          2HH1      ARG  20  -8.132   1.178  12.281
  145   1HH2  ARG  20          1HH2      ARG  20  -6.496   2.767  14.926
  146   2HH2  ARG  20          2HH2      ARG  20  -7.384   1.365  14.429
  147    H    LYS  21           H        LYS  21  -2.933   3.479  10.741
  148    HA   LYS  21           HA       LYS  21  -1.985   0.923  10.246
  149   1HB   LYS  21          2HB       LYS  21  -2.989   1.615  12.980
  150   2HB   LYS  21          1HB       LYS  21  -1.541   0.736  12.517
  151   1HG   LYS  21          2HG       LYS  21  -0.499   2.638  13.063
  152   2HG   LYS  21          1HG       LYS  21  -1.016   3.177  11.464
  153   1HD   LYS  21          2HD       LYS  21  -3.057   4.135  12.493
  154   2HD   LYS  21          1HD       LYS  21  -2.448   3.662  14.078
  155   1HE   LYS  21          2HE       LYS  21  -1.429   5.639  14.173
  156   2HE   LYS  21          1HE       LYS  21  -0.348   5.061  12.905
  157   1HZ   LYS  21          1HZ       LYS  21  -1.572   6.108  11.278
  158   2HZ   LYS  21          2HZ       LYS  21  -1.601   7.240  12.531
  159   3HZ   LYS  21          3HZ       LYS  21  -2.954   6.268  12.233
  160    H    GLY  22           H        GLY  22  -2.822  -1.048  10.166
  161   1HA   GLY  22          2HA       GLY  22  -4.316  -2.782  10.678
  162   2HA   GLY  22          1HA       GLY  22  -5.460  -1.594  11.281
  163    H    GLN  23           H        GLN  23  -4.658  -0.208   8.480
  164    HA   GLN  23           HA       GLN  23  -7.041  -1.082   7.188
  165   1HB   GLN  23          2HB       GLN  23  -5.643   1.221   7.187
  166   2HB   GLN  23          1HB       GLN  23  -5.074   0.520   5.680
  167   1HG   GLN  23          2HG       GLN  23  -6.883   1.801   5.034
  168   2HG   GLN  23          1HG       GLN  23  -7.560   0.177   5.146
  169   1HE2  GLN  23          1HE2      GLN  23  -9.630   0.685   5.594
  170   2HE2  GLN  23          2HE2      GLN  23 -10.144   1.519   7.017
  171    H    ILE  24           H        ILE  24  -7.187  -1.803   4.915
  172    HA   ILE  24           HA       ILE  24  -4.892  -3.508   4.219
  173    HB   ILE  24           HB       ILE  24  -6.509  -4.978   3.069
  174   1HG1  ILE  24          2HG1      ILE  24  -8.756  -3.660   4.522
  175   2HG1  ILE  24          1HG1      ILE  24  -8.220  -2.933   3.014
  176   1HG2  ILE  24          1HG2      ILE  24  -6.571  -4.435   5.987
  177   2HG2  ILE  24          2HG2      ILE  24  -6.014  -5.860   5.109
  178   3HG2  ILE  24          3HG2      ILE  24  -7.737  -5.586   5.334
  179   1HD1  ILE  24          1HD1      ILE  24  -8.567  -5.115   1.898
  180   2HD1  ILE  24          2HD1      ILE  24 -10.040  -4.410   2.564
  181   3HD1  ILE  24          3HD1      ILE  24  -9.235  -5.732   3.409
  182    H    LEU  25           H        LEU  25  -3.745  -2.583   2.673
  183    HA   LEU  25           HA       LEU  25  -5.048  -1.151   0.487
  184   1HB   LEU  25          2HB       LEU  25  -2.093  -1.490   0.733
  185   2HB   LEU  25          1HB       LEU  25  -2.988  -0.176   0.004
  186    HG   LEU  25           HG       LEU  25  -2.382  -0.658   2.903
  187   1HD1  LEU  25          1HD1      LEU  25  -2.180   1.808   1.187
  188   2HD1  LEU  25          2HD1      LEU  25  -0.876   0.661   1.441
  189   3HD1  LEU  25          3HD1      LEU  25  -1.518   1.569   2.803
  190   1HD2  LEU  25          1HD2      LEU  25  -3.947   1.624   2.806
  191   2HD2  LEU  25          2HD2      LEU  25  -4.400   0.069   3.502
  192   3HD2  LEU  25          3HD2      LEU  25  -4.818   0.447   1.843
  193    H    LYS  26           H        LYS  26  -4.768  -1.687  -1.719
  194    HA   LYS  26           HA       LYS  26  -4.057  -4.497  -2.162
  195   1HB   LYS  26          2HB       LYS  26  -6.314  -3.400  -2.872
  196   2HB   LYS  26          1HB       LYS  26  -5.379  -2.748  -4.209
  197   1HG   LYS  26          2HG       LYS  26  -5.140  -4.773  -5.212
  198   2HG   LYS  26          1HG       LYS  26  -5.174  -5.638  -3.686
  199   1HD   LYS  26          2HD       LYS  26  -7.629  -4.265  -4.669
  200   2HD   LYS  26          1HD       LYS  26  -7.184  -5.848  -5.309
  201   1HE   LYS  26          2HE       LYS  26  -8.270  -6.707  -3.559
  202   2HE   LYS  26          1HE       LYS  26  -6.910  -6.158  -2.579
  203   1HZ   LYS  26          1HZ       LYS  26  -8.662  -5.193  -1.500
  204   2HZ   LYS  26          2HZ       LYS  26  -9.567  -4.957  -2.909
  205   3HZ   LYS  26          3HZ       LYS  26  -8.256  -3.945  -2.568
  206    H    ILE  27           H        ILE  27  -2.493  -5.140  -3.520
  207    HA   ILE  27           HA       ILE  27  -0.683  -3.106  -4.585
  208    HB   ILE  27           HB       ILE  27  -0.317  -6.091  -4.809
  209   1HG1  ILE  27          2HG1      ILE  27   0.584  -4.297  -2.539
  210   2HG1  ILE  27          1HG1      ILE  27  -0.657  -5.539  -2.432
  211   1HG2  ILE  27          1HG2      ILE  27   2.091  -4.617  -4.441
  212   2HG2  ILE  27          2HG2      ILE  27   1.137  -3.839  -5.700
  213   3HG2  ILE  27          3HG2      ILE  27   1.565  -5.541  -5.849
  214   1HD1  ILE  27          1HD1      ILE  27   2.231  -5.765  -2.287
  215   2HD1  ILE  27          2HD1      ILE  27   1.507  -6.910  -3.416
  216   3HD1  ILE  27          3HD1      ILE  27   0.975  -6.873  -1.735
  217    H    LEU  28           H        LEU  28  -1.027  -2.370  -6.595
  218    HA   LEU  28           HA       LEU  28  -1.998  -4.242  -8.654
  219   1HB   LEU  28          2HB       LEU  28  -3.450  -2.075  -7.505
  220   2HB   LEU  28          1HB       LEU  28  -3.079  -1.664  -9.167
  221    HG   LEU  28           HG       LEU  28  -4.425  -4.236  -8.351
  222   1HD1  LEU  28          1HD1      LEU  28  -5.483  -1.583  -8.419
  223   2HD1  LEU  28          2HD1      LEU  28  -6.306  -3.100  -8.058
  224   3HD1  LEU  28          3HD1      LEU  28  -6.200  -2.528  -9.723
  225   1HD2  LEU  28          1HD2      LEU  28  -4.353  -2.892 -11.042
  226   2HD2  LEU  28          2HD2      LEU  28  -4.885  -4.528 -10.652
  227   3HD2  LEU  28          3HD2      LEU  28  -3.175  -4.107 -10.545
  228    H    ASN  29           H        ASN  29   0.649  -2.848  -8.005
  229    HA   ASN  29           HA       ASN  29   0.945  -1.075 -10.285
  230   1HB   ASN  29          2HB       ASN  29   3.362  -0.953  -9.650
  231   2HB   ASN  29          1HB       ASN  29   2.295  -0.506  -8.330
  232   1HD2  ASN  29          1HD2      ASN  29   1.677  -2.374  -6.879
  233   2HD2  ASN  29          2HD2      ASN  29   2.953  -3.449  -6.440
  234    H    MET  30           H        MET  30   2.966  -1.351 -11.678
  235    HA   MET  30           HA       MET  30   2.572  -3.928 -13.010
  236   1HB   MET  30          2HB       MET  30   2.691  -1.360 -13.983
  237   2HB   MET  30          1HB       MET  30   4.313  -1.951 -14.315
  238   1HG   MET  30          2HG       MET  30   3.217  -3.951 -15.403
  239   2HG   MET  30          1HG       MET  30   1.700  -3.062 -15.285
  240   1HE   MET  30          1HE       MET  30   2.548  -0.038 -15.868
  241   2HE   MET  30          2HE       MET  30   1.151  -0.882 -16.533
  242   3HE   MET  30          3HE       MET  30   2.250  -0.018 -17.606
  243    H    GLU  31           H        GLU  31   4.014  -4.092 -10.679
  244    HA   GLU  31           HA       GLU  31   5.845  -5.225  -9.904
  245   1HB   GLU  31          2HB       GLU  31   5.848  -6.147 -12.327
  246   2HB   GLU  31          1HB       GLU  31   7.238  -5.092 -12.535
  247   1HG   GLU  31          2HG       GLU  31   7.881  -6.342 -10.218
  248   2HG   GLU  31          1HG       GLU  31   6.975  -7.606 -11.047
  249    H    ASP  32           H        ASP  32   5.719  -2.473  -9.472
  250    HA   ASP  32           HA       ASP  32   8.062  -0.978 -10.298
  251   1HB   ASP  32          2HB       ASP  32   5.664  -0.547  -8.892
  252   2HB   ASP  32          1HB       ASP  32   6.962  -0.272  -7.735
  253    H    ASP  33           H        ASP  33   7.074  -2.658  -7.327
  254    HA   ASP  33           HA       ASP  33   8.194  -3.537  -5.603
  255   1HB   ASP  33          2HB       ASP  33   9.904  -4.020  -7.851
  256   2HB   ASP  33          1HB       ASP  33  10.889  -3.724  -6.430
  257    H    SER  34           H        SER  34  11.360  -2.501  -5.952
  258    HA   SER  34           HA       SER  34  12.532  -1.284  -4.372
  259   1HB   SER  34          2HB       SER  34  11.909  -0.084  -6.800
  260   2HB   SER  34          1HB       SER  34  11.714   1.203  -5.616
  261    HG   SER  34           HG       SER  34  13.922   0.628  -6.603
  262    H    ASN  35           H        ASN  35  11.961   1.598  -3.948
  263    HA   ASN  35           HA       ASN  35  10.669   1.222  -1.417
  264   1HB   ASN  35          2HB       ASN  35  11.908   3.673  -2.670
  265   2HB   ASN  35          1HB       ASN  35  11.240   3.633  -1.041
  266   1HD2  ASN  35          1HD2      ASN  35  13.095   3.965   0.070
  267   2HD2  ASN  35          2HD2      ASN  35  14.424   2.860   0.083
  268    H    TRP  36           H        TRP  36   9.673   2.654  -4.491
  269    HA   TRP  36           HA       TRP  36   7.233   3.549  -3.133
  270   1HB   TRP  36          2HB       TRP  36   8.886   4.920  -4.916
  271   2HB   TRP  36          1HB       TRP  36   7.510   4.440  -5.902
  272    HD1  TRP  36           HD1      TRP  36   5.088   4.910  -4.077
  273    HE1  TRP  36           HE1      TRP  36   4.468   7.261  -3.230
  274    HE3  TRP  36           HE3      TRP  36   9.633   7.194  -4.612
  275    HZ2  TRP  36           HZ2      TRP  36   5.737   9.752  -2.839
  276    HZ3  TRP  36           HZ3      TRP  36   9.844   9.562  -3.978
  277    HH2  TRP  36           HH2      TRP  36   7.936  10.813  -3.111
  278    H    TYR  37           H        TYR  37   5.302   2.517  -3.671
  279    HA   TYR  37           HA       TYR  37   5.238   0.919  -6.126
  280   1HB   TYR  37          2HB       TYR  37   5.023  -1.067  -5.103
  281   2HB   TYR  37          1HB       TYR  37   5.660  -0.257  -3.684
  282    HD1  TYR  37           HD1      TYR  37   3.743   0.938  -2.210
  283    HD2  TYR  37           HD2      TYR  37   3.141  -2.335  -4.853
  284    HE1  TYR  37           HE1      TYR  37   1.713   0.286  -0.970
  285    HE2  TYR  37           HE2      TYR  37   1.117  -2.969  -3.615
  286    HH   TYR  37           HH       TYR  37  -0.303  -0.945  -1.228
  287    H    ARG  38           H        ARG  38   2.947   0.185  -6.661
  288    HA   ARG  38           HA       ARG  38   1.163   2.438  -6.070
  289   1HB   ARG  38          2HB       ARG  38   1.594   0.749  -8.450
  290   2HB   ARG  38          1HB       ARG  38  -0.076   1.164  -8.128
  291   1HG   ARG  38          2HG       ARG  38   1.536   3.502  -7.886
  292   2HG   ARG  38          1HG       ARG  38   1.899   2.694  -9.412
  293   1HD   ARG  38          2HD       ARG  38  -0.945   3.037  -8.594
  294   2HD   ARG  38          1HD       ARG  38  -0.067   4.421  -9.234
  295    HE   ARG  38           HE       ARG  38  -0.379   1.884 -10.709
  296   1HH1  ARG  38          1HH1      ARG  38  -0.325   5.379 -10.610
  297   2HH1  ARG  38          2HH1      ARG  38  -0.618   5.552 -12.305
  298   1HH2  ARG  38          1HH2      ARG  38  -0.768   2.121 -12.942
  299   2HH2  ARG  38          2HH2      ARG  38  -0.870   3.709 -13.628
  300    H    ALA  39           H        ALA  39  -0.689   2.257  -5.102
  301    HA   ALA  39           HA       ALA  39  -1.775  -0.429  -4.597
  302   1HB   ALA  39          1HB       ALA  39  -0.697   0.117  -2.588
  303   2HB   ALA  39          2HB       ALA  39  -2.404   0.447  -2.301
  304   3HB   ALA  39          3HB       ALA  39  -1.290   1.776  -2.621
  305    H    GLU  40           H        GLU  40  -4.031  -0.433  -3.847
  306    HA   GLU  40           HA       GLU  40  -5.612   1.827  -4.881
  307   1HB   GLU  40          2HB       GLU  40  -5.470  -0.497  -6.228
  308   2HB   GLU  40          1HB       GLU  40  -6.735  -0.921  -5.083
  309   1HG   GLU  40          2HG       GLU  40  -7.569   1.522  -5.962
  310   2HG   GLU  40          1HG       GLU  40  -6.818   0.844  -7.407
  311    H    LEU  41           H        LEU  41  -7.288   2.464  -3.570
  312    HA   LEU  41           HA       LEU  41  -8.188   0.694  -1.424
  313   1HB   LEU  41          2HB       LEU  41  -6.413   2.849  -1.025
  314   2HB   LEU  41          1HB       LEU  41  -7.968   3.389  -0.434
  315    HG   LEU  41           HG       LEU  41  -8.071   1.450   1.063
  316   1HD1  LEU  41          1HD1      LEU  41  -5.959   0.144   1.356
  317   2HD1  LEU  41          2HD1      LEU  41  -5.419   0.800  -0.188
  318   3HD1  LEU  41          3HD1      LEU  41  -6.866  -0.206  -0.106
  319   1HD2  LEU  41          1HD2      LEU  41  -6.356   3.681   1.258
  320   2HD2  LEU  41          2HD2      LEU  41  -5.484   2.308   1.925
  321   3HD2  LEU  41          3HD2      LEU  41  -7.065   2.739   2.567
  322    H    ASP  42           H        ASP  42 -10.305   0.730  -1.251
  323    HA   ASP  42           HA       ASP  42 -12.470   1.118  -1.778
  324   1HB   ASP  42          2HB       ASP  42 -13.346   3.330  -1.196
  325   2HB   ASP  42          1HB       ASP  42 -12.225   2.734   0.024
  326    H    GLY  43           H        GLY  43 -10.736   1.071  -4.043
  327   1HA   GLY  43          2HA       GLY  43 -11.257   1.221  -6.317
  328   2HA   GLY  43          1HA       GLY  43 -12.509   2.388  -5.932
  329    H    LYS  44           H        LYS  44  -9.515   3.154  -4.502
  330    HA   LYS  44           HA       LYS  44  -8.938   5.074  -6.668
  331   1HB   LYS  44          2HB       LYS  44  -9.792   5.739  -4.208
  332   2HB   LYS  44          1HB       LYS  44  -8.070   5.613  -3.873
  333   1HG   LYS  44          2HG       LYS  44  -8.151   7.111  -6.183
  334   2HG   LYS  44          1HG       LYS  44  -9.552   7.681  -5.274
  335   1HD   LYS  44          2HD       LYS  44  -8.088   8.030  -3.310
  336   2HD   LYS  44          1HD       LYS  44  -6.703   7.547  -4.291
  337   1HE   LYS  44          2HE       LYS  44  -8.495   9.761  -5.201
  338   2HE   LYS  44          1HE       LYS  44  -7.252  10.071  -3.989
  339   1HZ   LYS  44          1HZ       LYS  44  -5.749   8.867  -5.726
  340   2HZ   LYS  44          2HZ       LYS  44  -6.119  10.508  -5.909
  341   3HZ   LYS  44          3HZ       LYS  44  -6.952   9.349  -6.817
  342    H    GLU  45           H        GLU  45  -6.811   5.259  -7.325
  343    HA   GLU  45           HA       GLU  45  -4.903   3.402  -6.072
  344   1HB   GLU  45          2HB       GLU  45  -3.634   3.662  -8.284
  345   2HB   GLU  45          1HB       GLU  45  -5.139   2.755  -8.339
  346   1HG   GLU  45          2HG       GLU  45  -6.013   5.271  -8.875
  347   2HG   GLU  45          1HG       GLU  45  -4.417   5.293  -9.612
  348    H    GLY  46           H        GLY  46  -2.544   4.134  -6.338
  349   1HA   GLY  46          2HA       GLY  46  -1.809   6.831  -6.463
  350   2HA   GLY  46          1HA       GLY  46  -2.281   6.480  -4.809
  351    H    LEU  47           H        LEU  47   0.119   7.249  -4.824
  352    HA   LEU  47           HA       LEU  47   1.941   4.931  -5.043
  353   1HB   LEU  47          2HB       LEU  47   2.770   7.817  -4.823
  354   2HB   LEU  47          1HB       LEU  47   3.728   6.459  -5.371
  355    HG   LEU  47           HG       LEU  47   1.355   7.524  -6.894
  356   1HD1  LEU  47          1HD1      LEU  47   4.225   8.058  -7.577
  357   2HD1  LEU  47          2HD1      LEU  47   3.302   9.150  -6.546
  358   3HD1  LEU  47          3HD1      LEU  47   2.773   8.841  -8.200
  359   1HD2  LEU  47          1HD2      LEU  47   3.111   6.320  -8.634
  360   2HD2  LEU  47          2HD2      LEU  47   1.640   5.595  -7.985
  361   3HD2  LEU  47          3HD2      LEU  47   3.193   5.285  -7.209
  362    H    ILE  48           H        ILE  48   3.044   4.258  -3.217
  363    HA   ILE  48           HA       ILE  48   3.215   5.967  -0.876
  364    HB   ILE  48           HB       ILE  48   2.222   4.378   0.663
  365   1HG1  ILE  48          2HG1      ILE  48   0.708   2.632  -0.848
  366   2HG1  ILE  48          1HG1      ILE  48   2.267   2.629  -1.668
  367   1HG2  ILE  48          1HG2      ILE  48   0.656   5.577  -1.509
  368   2HG2  ILE  48          2HG2      ILE  48   0.554   5.811   0.226
  369   3HG2  ILE  48          3HG2      ILE  48  -0.181   4.393  -0.520
  370   1HD1  ILE  48          1HD1      ILE  48   2.844   1.093  -0.160
  371   2HD1  ILE  48          2HD1      ILE  48   1.489   1.501   0.879
  372   3HD1  ILE  48          3HD1      ILE  48   2.973   2.432   0.973
  373    HA   PRO  49           HA       PRO  49   6.921   3.613  -0.283
  374   1HB   PRO  49          2HB       PRO  49   7.321   3.582   2.373
  375   2HB   PRO  49          1HB       PRO  49   7.365   5.083   1.440
  376   1HG   PRO  49          2HG       PRO  49   5.214   3.998   3.177
  377   2HG   PRO  49          1HG       PRO  49   5.729   5.674   2.956
  378   1HD   PRO  49          2HD       PRO  49   3.525   4.474   1.761
  379   2HD   PRO  49          1HD       PRO  49   4.301   5.968   1.209
  380    H    SER  50           H        SER  50   7.379   1.549  -0.536
  381    HA   SER  50           HA       SER  50   5.661  -0.558  -0.022
  382   1HB   SER  50          2HB       SER  50   7.952  -0.296  -1.440
  383   2HB   SER  50          1HB       SER  50   8.538  -1.245  -0.075
  384    HG   SER  50           HG       SER  50   6.563  -2.590  -0.574
  385    H    ASN  51           H        ASN  51   8.092   0.757   2.072
  386    HA   ASN  51           HA       ASN  51   8.236  -1.432   3.904
  387   1HB   ASN  51          2HB       ASN  51   8.980   1.488   4.064
  388   2HB   ASN  51          1HB       ASN  51   9.196   0.394   5.425
  389   1HD2  ASN  51          1HD2      ASN  51  11.389   1.555   4.619
  390   2HD2  ASN  51          2HD2      ASN  51  12.397   0.493   3.701
  391    H    TYR  52           H        TYR  52   5.777   0.742   3.211
  392    HA   TYR  52           HA       TYR  52   4.697   0.771   5.930
  393   1HB   TYR  52          2HB       TYR  52   4.044   2.243   3.396
  394   2HB   TYR  52          1HB       TYR  52   2.899   2.202   4.728
  395    HD1  TYR  52           HD1      TYR  52   6.589   2.372   5.078
  396    HD2  TYR  52           HD2      TYR  52   2.906   4.492   5.299
  397    HE1  TYR  52           HE1      TYR  52   7.754   4.274   6.114
  398    HE2  TYR  52           HE2      TYR  52   4.060   6.398   6.339
  399    HH   TYR  52           HH       TYR  52   7.473   6.657   6.438
  400    H    ILE  53           H        ILE  53   4.597  -1.377   3.435
  401    HA   ILE  53           HA       ILE  53   1.793  -2.081   3.991
  402    HB   ILE  53           HB       ILE  53   3.218  -1.766   1.481
  403   1HG1  ILE  53          2HG1      ILE  53   0.941  -1.597   0.606
  404   2HG1  ILE  53          1HG1      ILE  53   0.302  -2.212   2.127
  405   1HG2  ILE  53          1HG2      ILE  53   1.525  -3.868   0.769
  406   2HG2  ILE  53          2HG2      ILE  53   2.522  -4.489   2.076
  407   3HG2  ILE  53          3HG2      ILE  53   3.273  -3.810   0.636
  408   1HD1  ILE  53          1HD1      ILE  53   0.724   0.424   1.421
  409   2HD1  ILE  53          2HD1      ILE  53   2.004   0.062   2.572
  410   3HD1  ILE  53          3HD1      ILE  53   0.316  -0.190   3.017
  411    H    GLU  54           H        GLU  54   1.497  -3.838   5.129
  412    HA   GLU  54           HA       GLU  54   3.632  -5.770   5.505
  413   1HB   GLU  54          2HB       GLU  54   1.576  -4.827   7.118
  414   2HB   GLU  54          1HB       GLU  54   1.062  -6.455   6.704
  415   1HG   GLU  54          2HG       GLU  54   2.640  -7.414   7.968
  416   2HG   GLU  54          1HG       GLU  54   3.870  -6.237   7.507
  417    H    MET  55           H        MET  55   3.077  -8.142   5.410
  418    HA   MET  55           HA       MET  55   1.271  -8.696   3.144
  419   1HB   MET  55          2HB       MET  55   3.794  -8.836   2.686
  420   2HB   MET  55          1HB       MET  55   3.774 -10.275   3.695
  421   1HG   MET  55          2HG       MET  55   1.696 -10.367   1.693
  422   2HG   MET  55          1HG       MET  55   3.285 -10.130   0.968
  423   1HE   MET  55          1HE       MET  55   5.147 -12.552   3.252
  424   2HE   MET  55          2HE       MET  55   5.249 -11.193   2.133
  425   3HE   MET  55          3HE       MET  55   5.357 -12.844   1.524
  426    H    LYS  56           H        LYS  56  -0.117  -8.937   5.207
  427    HA   LYS  56           HA       LYS  56   0.235 -11.506   6.526
  428   1HB   LYS  56          2HB       LYS  56  -0.345  -9.466   7.826
  429   2HB   LYS  56          1HB       LYS  56  -1.885  -9.396   6.982
  430   1HG   LYS  56          2HG       LYS  56  -2.794 -10.852   8.390
  431   2HG   LYS  56          1HG       LYS  56  -1.482 -12.004   8.132
  432   1HD   LYS  56          2HD       LYS  56  -0.170 -10.352   9.706
  433   2HD   LYS  56          1HD       LYS  56  -1.798  -9.911  10.230
  434   1HE   LYS  56          2HE       LYS  56  -2.104 -12.512  10.397
  435   2HE   LYS  56          1HE       LYS  56  -0.344 -12.500  10.505
  436   1HZ   LYS  56          1HZ       LYS  56  -2.231 -11.081  12.304
  437   2HZ   LYS  56          2HZ       LYS  56  -0.547 -10.938  12.375
  438   3HZ   LYS  56          3HZ       LYS  56  -1.282 -12.427  12.695
  439    H    ASN  57           H        ASN  57  -3.022 -10.860   6.501
  440    HA   ASN  57           HA       ASN  57  -4.835 -11.553   5.310
  441   1HB   ASN  57          2HB       ASN  57  -3.664 -11.132   3.192
  442   2HB   ASN  57          1HB       ASN  57  -2.884 -12.703   3.302
  443   1HD2  ASN  57          1HD2      ASN  57  -6.230 -11.712   3.927
  444   2HD2  ASN  57          2HD2      ASN  57  -6.939 -12.785   2.773
  445    H    HIS  58           H        HIS  58  -2.569 -13.368   6.866
  446    HA   HIS  58           HA       HIS  58  -4.291 -15.229   7.784
  447   1HB   HIS  58          2HB       HIS  58  -3.170 -16.135   5.219
  448   2HB   HIS  58          1HB       HIS  58  -2.979 -17.277   6.544
  449    HD1  HIS  58           HD1      HIS  58  -4.797 -17.932   4.167
  450    HD2  HIS  58           HD2      HIS  58  -6.118 -16.172   7.691
  451    HE1  HIS  58           HE1      HIS  58  -7.252 -18.457   4.300
  452    HE2  HIS  58           HE2      HIS  58  -8.049 -17.298   6.390
  453    H    ASP  59           H        ASP  59  -3.315 -16.913   9.038
  454    HA   ASP  59           HA       ASP  59  -0.844 -16.009  10.228
  455   1HB   ASP  59          2HB       ASP  59  -2.791 -16.827  11.573
  456   2HB   ASP  59          1HB       ASP  59  -2.488 -18.444  10.945
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1  -3.562  -8.797  -5.075
    2   2H    MET   1          2H        MET   1  -3.425  -9.901  -3.769
    3   3H    MET   1          3H        MET   1  -2.494 -10.132  -5.188
    4    HA   MET   1           HA       MET   1  -1.155  -9.263  -3.446
    5   1HB   MET   1          2HB       MET   1  -1.609  -6.971  -5.332
    6   2HB   MET   1          1HB       MET   1  -0.094  -7.636  -4.746
    7   1HG   MET   1          2HG       MET   1  -0.164  -9.424  -6.249
    8   2HG   MET   1          1HG       MET   1  -1.877  -9.195  -6.585
    9   1HE   MET   1          1HE       MET   1  -2.525  -6.382  -8.043
   10   2HE   MET   1          2HE       MET   1  -2.838  -8.111  -8.194
   11   3HE   MET   1          3HE       MET   1  -2.109  -7.226  -9.534
   12    H    GLU   2           H        GLU   2  -2.386  -8.855  -1.425
   13    HA   GLU   2           HA       GLU   2  -3.056  -6.022  -1.215
   14   1HB   GLU   2          2HB       GLU   2  -5.136  -7.405  -1.468
   15   2HB   GLU   2          1HB       GLU   2  -4.727  -8.206   0.042
   16   1HG   GLU   2          2HG       GLU   2  -4.803  -5.993   1.167
   17   2HG   GLU   2          1HG       GLU   2  -5.376  -5.295  -0.348
   18    H    ALA   3           H        ALA   3  -2.355  -5.045   0.607
   19    HA   ALA   3           HA       ALA   3  -1.306  -6.723   2.813
   20   1HB   ALA   3          1HB       ALA   3   0.001  -4.497   1.351
   21   2HB   ALA   3          2HB       ALA   3   0.674  -6.009   1.915
   22   3HB   ALA   3          3HB       ALA   3   0.351  -4.708   3.053
   23    H    ILE   4           H        ILE   4  -0.569  -4.904   4.596
   24    HA   ILE   4           HA       ILE   4  -2.970  -3.311   5.133
   25    HB   ILE   4           HB       ILE   4  -1.677  -5.057   7.227
   26   1HG1  ILE   4          2HG1      ILE   4  -4.274  -5.585   5.814
   27   2HG1  ILE   4          1HG1      ILE   4  -2.776  -6.382   5.380
   28   1HG2  ILE   4          1HG2      ILE   4  -4.405  -3.802   7.294
   29   2HG2  ILE   4          2HG2      ILE   4  -2.966  -2.957   7.864
   30   3HG2  ILE   4          3HG2      ILE   4  -3.461  -4.465   8.631
   31   1HD1  ILE   4          1HD1      ILE   4  -2.977  -7.835   7.049
   32   2HD1  ILE   4          2HD1      ILE   4  -4.641  -7.267   7.194
   33   3HD1  ILE   4          3HD1      ILE   4  -3.378  -6.573   8.211
   34    H    ALA   5           H        ALA   5  -2.653  -1.428   6.216
   35    HA   ALA   5           HA       ALA   5  -0.052  -0.271   6.256
   36   1HB   ALA   5          1HB       ALA   5  -1.975   1.147   7.869
   37   2HB   ALA   5          2HB       ALA   5  -2.670   0.653   6.326
   38   3HB   ALA   5          3HB       ALA   5  -1.197   1.623   6.360
   39    H    LYS   6           H        LYS   6   1.446  -0.079   7.698
   40    HA   LYS   6           HA       LYS   6   1.028  -1.286  10.335
   41   1HB   LYS   6          2HB       LYS   6   3.041  -2.051   9.416
   42   2HB   LYS   6          1HB       LYS   6   3.443  -0.485   8.736
   43   1HG   LYS   6          2HG       LYS   6   4.898  -1.173  10.607
   44   2HG   LYS   6          1HG       LYS   6   4.073   0.360  10.887
   45   1HD   LYS   6          2HD       LYS   6   4.064  -1.038  12.890
   46   2HD   LYS   6          1HD       LYS   6   2.430  -0.789  12.289
   47   1HE   LYS   6          2HE       LYS   6   2.573  -2.992  11.150
   48   2HE   LYS   6          1HE       LYS   6   4.133  -3.243  11.935
   49   1HZ   LYS   6          1HZ       LYS   6   1.449  -3.135  13.146
   50   2HZ   LYS   6          2HZ       LYS   6   2.813  -2.776  14.079
   51   3HZ   LYS   6          3HZ       LYS   6   2.665  -4.294  13.349
   52    H    HIS   7           H        HIS   7   1.257   1.768   8.805
   53    HA   HIS   7           HA       HIS   7   0.616   3.115  11.271
   54   1HB   HIS   7          2HB       HIS   7   3.247   3.012  10.858
   55   2HB   HIS   7          1HB       HIS   7   2.880   4.394   9.830
   56    HD1  HIS   7           HD1      HIS   7   2.804   6.591  10.980
   57    HD2  HIS   7           HD2      HIS   7   2.240   3.436  13.624
   58    HE1  HIS   7           HE1      HIS   7   2.698   7.639  13.263
   59    HE2  HIS   7           HE2      HIS   7   2.254   5.721  14.836
   60    H    ASP   8           H        ASP   8   0.599   5.567  10.784
   61    HA   ASP   8           HA       ASP   8  -1.342   5.866   8.686
   62   1HB   ASP   8          2HB       ASP   8  -2.070   6.970  10.571
   63   2HB   ASP   8          1HB       ASP   8  -0.448   7.424  11.066
   64    H    PHE   9           H        PHE   9  -1.202   7.198   6.862
   65    HA   PHE   9           HA       PHE   9   1.342   8.564   6.437
   66   1HB   PHE   9          2HB       PHE   9   1.196   6.175   5.338
   67   2HB   PHE   9          1HB       PHE   9   0.232   7.004   4.131
   68    HD1  PHE   9           HD1      PHE   9   2.148   6.030   2.693
   69    HD2  PHE   9           HD2      PHE   9   2.683   9.195   5.493
   70    HE1  PHE   9           HE1      PHE   9   4.208   6.732   1.537
   71    HE2  PHE   9           HE2      PHE   9   4.738   9.876   4.332
   72    HZ   PHE   9           HZ       PHE   9   5.499   8.637   2.349
   73    H    SER  10           H        SER  10   1.013  10.567   5.747
   74    HA   SER  10           HA       SER  10  -1.408  11.129   4.155
   75   1HB   SER  10          2HB       SER  10  -0.444  12.424   6.581
   76   2HB   SER  10          1HB       SER  10  -0.575  13.573   5.249
   77    HG   SER  10           HG       SER  10  -2.621  11.835   6.178
   78    H    ALA  11           H        ALA  11  -1.127  11.580   2.264
   79    HA   ALA  11           HA       ALA  11   1.246  11.781   0.877
   80   1HB   ALA  11          1HB       ALA  11  -0.126  12.378  -1.014
   81   2HB   ALA  11          2HB       ALA  11  -1.444  12.860   0.055
   82   3HB   ALA  11          3HB       ALA  11  -0.960  11.166  -0.041
   83    H    THR  12           H        THR  12   2.477  13.380   0.093
   84    HA   THR  12           HA       THR  12   1.897  16.125   1.002
   85    HB   THR  12           HB       THR  12   3.924  15.360   2.043
   86    HG1  THR  12           HG1      THR  12   5.002  17.088   1.540
   87   1HG2  THR  12          1HG2      THR  12   5.905  14.828   0.437
   88   2HG2  THR  12          2HG2      THR  12   4.623  14.316  -0.648
   89   3HG2  THR  12          3HG2      THR  12   4.786  13.560   0.927
   90    H    ALA  13           H        ALA  13   3.745  14.625  -1.682
   91    HA   ALA  13           HA       ALA  13   3.059  16.839  -3.401
   92   1HB   ALA  13          1HB       ALA  13   5.075  16.204  -4.164
   93   2HB   ALA  13          2HB       ALA  13   4.205  14.923  -5.009
   94   3HB   ALA  13          3HB       ALA  13   4.942  14.601  -3.439
   95    H    ASP  14           H        ASP  14   2.089  16.414  -5.527
   96    HA   ASP  14           HA       ASP  14  -0.393  15.078  -5.264
   97   1HB   ASP  14          2HB       ASP  14   0.047  17.124  -6.688
   98   2HB   ASP  14          1HB       ASP  14   0.843  16.060  -7.844
   99    H    ASP  15           H        ASP  15  -1.231  13.330  -6.505
  100    HA   ASP  15           HA       ASP  15  -1.206  11.442  -7.838
  101   1HB   ASP  15          2HB       ASP  15   1.140  12.629  -8.688
  102   2HB   ASP  15          1HB       ASP  15   1.678  11.057  -8.102
  103    H    GLU  16           H        GLU  16  -0.061  11.876  -4.889
  104    HA   GLU  16           HA       GLU  16   0.901   9.150  -4.357
  105   1HB   GLU  16          2HB       GLU  16   0.922  11.720  -2.801
  106   2HB   GLU  16          1HB       GLU  16   1.212  10.172  -2.019
  107   1HG   GLU  16          2HG       GLU  16   3.006   9.857  -3.856
  108   2HG   GLU  16          1HG       GLU  16   2.870  11.604  -4.050
  109    H    LEU  17           H        LEU  17   0.103   8.099  -2.365
  110    HA   LEU  17           HA       LEU  17  -2.777   8.603  -1.969
  111   1HB   LEU  17          2HB       LEU  17  -1.413   6.245  -2.874
  112   2HB   LEU  17          1HB       LEU  17  -2.228   5.903  -1.362
  113    HG   LEU  17           HG       LEU  17  -3.507   5.414  -3.502
  114   1HD1  LEU  17          1HD1      LEU  17  -4.946   5.280  -1.783
  115   2HD1  LEU  17          2HD1      LEU  17  -5.571   6.782  -2.462
  116   3HD1  LEU  17          3HD1      LEU  17  -4.450   6.827  -1.104
  117   1HD2  LEU  17          1HD2      LEU  17  -4.790   7.474  -4.316
  118   2HD2  LEU  17          2HD2      LEU  17  -3.137   7.279  -4.873
  119   3HD2  LEU  17          3HD2      LEU  17  -3.496   8.417  -3.593
  120    H    SER  18           H        SER  18  -3.707   8.045   0.078
  121    HA   SER  18           HA       SER  18  -1.745   7.996   2.283
  122   1HB   SER  18          2HB       SER  18  -4.458   9.326   2.198
  123   2HB   SER  18          1HB       SER  18  -3.392   9.263   3.601
  124    HG   SER  18           HG       SER  18  -1.862  10.205   1.800
  125    H    PHE  19           H        PHE  19  -2.424   6.920   4.254
  126    HA   PHE  19           HA       PHE  19  -4.791   5.313   4.301
  127   1HB   PHE  19          2HB       PHE  19  -2.243   4.163   3.347
  128   2HB   PHE  19          1HB       PHE  19  -3.085   3.212   4.563
  129    HD1  PHE  19           HD1      PHE  19  -2.697   3.715   1.158
  130    HD2  PHE  19           HD2      PHE  19  -5.707   2.971   4.075
  131    HE1  PHE  19           HE1      PHE  19  -4.158   2.788  -0.590
  132    HE2  PHE  19           HE2      PHE  19  -7.171   2.041   2.329
  133    HZ   PHE  19           HZ       PHE  19  -6.384   1.958   0.007
  134    H    ARG  20           H        ARG  20  -4.852   3.866   6.247
  135    HA   ARG  20           HA       ARG  20  -3.195   4.972   8.426
  136   1HB   ARG  20          2HB       ARG  20  -5.367   4.479   9.831
  137   2HB   ARG  20          1HB       ARG  20  -5.193   5.980   8.937
  138   1HG   ARG  20          2HG       ARG  20  -6.445   4.773   7.048
  139   2HG   ARG  20          1HG       ARG  20  -6.874   3.595   8.286
  140   1HD   ARG  20          2HD       ARG  20  -8.667   5.043   8.360
  141   2HD   ARG  20          1HD       ARG  20  -7.632   5.659   9.646
  142    HE   ARG  20           HE       ARG  20  -7.332   7.582   8.440
  143   1HH1  ARG  20          1HH1      ARG  20  -8.683   5.142   6.337
  144   2HH1  ARG  20          2HH1      ARG  20  -8.970   6.248   5.035
  145   1HH2  ARG  20          1HH2      ARG  20  -7.713   9.033   6.730
  146   2HH2  ARG  20          2HH2      ARG  20  -8.419   8.456   5.258
  147    H    LYS  21           H        LYS  21  -2.975   3.641  10.307
  148    HA   LYS  21           HA       LYS  21  -2.132   1.043   9.825
  149   1HB   LYS  21          2HB       LYS  21  -2.166   0.830  12.353
  150   2HB   LYS  21          1HB       LYS  21  -1.212   2.149  11.692
  151   1HG   LYS  21          2HG       LYS  21  -4.037   2.648  12.518
  152   2HG   LYS  21          1HG       LYS  21  -2.772   2.540  13.742
  153   1HD   LYS  21          2HD       LYS  21  -2.620   4.376  11.359
  154   2HD   LYS  21          1HD       LYS  21  -3.271   4.864  12.917
  155   1HE   LYS  21          2HE       LYS  21  -0.544   3.652  12.684
  156   2HE   LYS  21          1HE       LYS  21  -0.802   5.367  12.371
  157   1HZ   LYS  21          1HZ       LYS  21  -1.950   4.326  14.827
  158   2HZ   LYS  21          2HZ       LYS  21  -1.164   5.795  14.536
  159   3HZ   LYS  21          3HZ       LYS  21  -0.259   4.385  14.771
  160    H    GLY  22           H        GLY  22  -3.050  -0.879   9.831
  161   1HA   GLY  22          2HA       GLY  22  -4.580  -2.523  10.559
  162   2HA   GLY  22          1HA       GLY  22  -5.698  -1.249  11.017
  163    H    GLN  23           H        GLN  23  -5.071   0.003   8.247
  164    HA   GLN  23           HA       GLN  23  -7.298  -1.263   6.965
  165   1HB   GLN  23          2HB       GLN  23  -5.470   0.897   5.920
  166   2HB   GLN  23          1HB       GLN  23  -6.989   0.393   5.193
  167   1HG   GLN  23          2HG       GLN  23  -7.570   1.013   7.865
  168   2HG   GLN  23          1HG       GLN  23  -6.506   2.285   7.273
  169   1HE2  GLN  23          1HE2      GLN  23  -9.635   1.408   7.595
  170   2HE2  GLN  23          2HE2      GLN  23 -10.343   2.347   6.330
  171    H    ILE  24           H        ILE  24  -7.314  -2.022   4.703
  172    HA   ILE  24           HA       ILE  24  -4.790  -3.393   4.085
  173    HB   ILE  24           HB       ILE  24  -6.601  -4.705   2.524
  174   1HG1  ILE  24          2HG1      ILE  24  -8.041  -4.433   5.149
  175   2HG1  ILE  24          1HG1      ILE  24  -8.389  -3.321   3.827
  176   1HG2  ILE  24          1HG2      ILE  24  -5.067  -5.956   3.712
  177   2HG2  ILE  24          2HG2      ILE  24  -6.594  -6.389   4.486
  178   3HG2  ILE  24          3HG2      ILE  24  -5.519  -5.221   5.248
  179   1HD1  ILE  24          1HD1      ILE  24  -9.734  -4.809   2.901
  180   2HD1  ILE  24          2HD1      ILE  24  -9.448  -5.886   4.269
  181   3HD1  ILE  24          3HD1      ILE  24  -8.429  -5.994   2.832
  182    H    LEU  25           H        LEU  25  -3.680  -2.485   2.546
  183    HA   LEU  25           HA       LEU  25  -5.038  -1.063   0.392
  184   1HB   LEU  25          2HB       LEU  25  -2.851  -0.065  -0.109
  185   2HB   LEU  25          1HB       LEU  25  -3.414   0.260   1.512
  186    HG   LEU  25           HG       LEU  25  -1.043  -0.092   1.514
  187   1HD1  LEU  25          1HD1      LEU  25  -0.869  -1.485   3.326
  188   2HD1  LEU  25          2HD1      LEU  25  -2.058  -2.620   2.699
  189   3HD1  LEU  25          3HD1      LEU  25  -2.582  -1.067   3.347
  190   1HD2  LEU  25          1HD2      LEU  25  -0.106  -2.342   0.930
  191   2HD2  LEU  25          2HD2      LEU  25  -0.679  -1.392  -0.435
  192   3HD2  LEU  25          3HD2      LEU  25  -1.641  -2.714   0.188
  193    H    LYS  26           H        LYS  26  -4.675  -1.557  -1.805
  194    HA   LYS  26           HA       LYS  26  -3.738  -4.274  -2.302
  195   1HB   LYS  26          2HB       LYS  26  -5.852  -2.826  -3.230
  196   2HB   LYS  26          1HB       LYS  26  -4.710  -2.638  -4.552
  197   1HG   LYS  26          2HG       LYS  26  -5.798  -4.516  -5.225
  198   2HG   LYS  26          1HG       LYS  26  -4.498  -5.246  -4.279
  199   1HD   LYS  26          2HD       LYS  26  -5.897  -5.787  -2.527
  200   2HD   LYS  26          1HD       LYS  26  -7.067  -4.532  -2.936
  201   1HE   LYS  26          2HE       LYS  26  -6.702  -6.597  -4.990
  202   2HE   LYS  26          1HE       LYS  26  -7.381  -7.178  -3.471
  203   1HZ   LYS  26          1HZ       LYS  26  -9.253  -5.916  -3.717
  204   2HZ   LYS  26          2HZ       LYS  26  -8.915  -6.248  -5.340
  205   3HZ   LYS  26          3HZ       LYS  26  -8.496  -4.749  -4.680
  206    H    ILE  27           H        ILE  27  -1.628  -4.591  -2.809
  207    HA   ILE  27           HA       ILE  27   0.006  -2.440  -3.824
  208    HB   ILE  27           HB       ILE  27   0.719  -5.318  -3.242
  209   1HG1  ILE  27          2HG1      ILE  27   1.887  -4.146  -1.236
  210   2HG1  ILE  27          1HG1      ILE  27   0.751  -2.844  -1.558
  211   1HG2  ILE  27          1HG2      ILE  27   2.958  -4.805  -3.511
  212   2HG2  ILE  27          2HG2      ILE  27   2.692  -3.079  -3.363
  213   3HG2  ILE  27          3HG2      ILE  27   2.205  -3.918  -4.828
  214   1HD1  ILE  27          1HD1      ILE  27   0.170  -5.637  -0.687
  215   2HD1  ILE  27          2HD1      ILE  27  -1.068  -4.598  -1.378
  216   3HD1  ILE  27          3HD1      ILE  27  -0.247  -4.119   0.085
  217    H    LEU  28           H        LEU  28   1.199  -2.518  -5.759
  218    HA   LEU  28           HA       LEU  28   0.055  -4.303  -7.795
  219   1HB   LEU  28          2HB       LEU  28  -0.307  -1.656  -7.755
  220   2HB   LEU  28          1HB       LEU  28   1.256  -1.670  -8.539
  221    HG   LEU  28           HG       LEU  28  -1.403  -2.397  -9.596
  222   1HD1  LEU  28          1HD1      LEU  28  -0.389  -0.422 -10.400
  223   2HD1  LEU  28          2HD1      LEU  28  -0.254  -1.594 -11.694
  224   3HD1  LEU  28          3HD1      LEU  28   1.144  -1.228 -10.686
  225   1HD2  LEU  28          1HD2      LEU  28  -0.853  -4.468 -10.241
  226   2HD2  LEU  28          2HD2      LEU  28   0.845  -4.237  -9.858
  227   3HD2  LEU  28          3HD2      LEU  28   0.216  -3.684 -11.398
  228    H    ASN  29           H        ASN  29   2.936  -2.713  -6.586
  229    HA   ASN  29           HA       ASN  29   5.157  -2.792  -7.305
  230   1HB   ASN  29          2HB       ASN  29   4.627  -4.178  -5.364
  231   2HB   ASN  29          1HB       ASN  29   4.452  -5.569  -6.428
  232   1HD2  ASN  29          1HD2      ASN  29   6.238  -6.601  -7.172
  233   2HD2  ASN  29          2HD2      ASN  29   7.850  -6.194  -6.701
  234    H    MET  30           H        MET  30   5.775  -2.609  -9.386
  235    HA   MET  30           HA       MET  30   5.406  -4.819 -11.238
  236   1HB   MET  30          2HB       MET  30   6.176  -1.949 -11.492
  237   2HB   MET  30          1HB       MET  30   6.609  -3.062 -12.781
  238   1HG   MET  30          2HG       MET  30   3.802  -2.869 -11.753
  239   2HG   MET  30          1HG       MET  30   4.418  -1.771 -12.987
  240   1HE   MET  30          1HE       MET  30   3.102  -2.419 -15.245
  241   2HE   MET  30          2HE       MET  30   4.079  -3.567 -16.159
  242   3HE   MET  30          3HE       MET  30   4.857  -2.245 -15.291
  243    H    GLU  31           H        GLU  31   7.971  -3.456  -9.337
  244    HA   GLU  31           HA       GLU  31  10.005  -4.954  -8.954
  245   1HB   GLU  31          2HB       GLU  31   9.294  -6.287 -10.987
  246   2HB   GLU  31          1HB       GLU  31  10.269  -5.133 -11.891
  247   1HG   GLU  31          2HG       GLU  31  12.229  -5.705 -10.619
  248   2HG   GLU  31          1HG       GLU  31  11.281  -6.730  -9.542
  249    H    ASP  32           H        ASP  32   9.350  -2.680 -11.555
  250    HA   ASP  32           HA       ASP  32  11.770  -1.795 -12.337
  251   1HB   ASP  32          2HB       ASP  32   9.202  -1.227 -12.891
  252   2HB   ASP  32          1HB       ASP  32   9.708   0.282 -12.141
  253    H    ASP  33           H        ASP  33   9.847  -0.295  -9.723
  254    HA   ASP  33           HA       ASP  33  12.056   1.524  -9.193
  255   1HB   ASP  33          2HB       ASP  33   9.198   1.400  -8.223
  256   2HB   ASP  33          1HB       ASP  33  10.382   2.379  -7.364
  257    H    SER  34           H        SER  34   9.863  -0.509  -7.301
  258    HA   SER  34           HA       SER  34  10.368  -2.267  -5.857
  259   1HB   SER  34          2HB       SER  34  13.078  -1.211  -6.125
  260   2HB   SER  34          1HB       SER  34  12.687  -1.576  -4.452
  261    HG   SER  34           HG       SER  34  13.200  -3.527  -5.064
  262    H    ASN  35           H        ASN  35  11.613   0.963  -4.876
  263    HA   ASN  35           HA       ASN  35  10.402   0.667  -2.300
  264   1HB   ASN  35          2HB       ASN  35  12.469   1.880  -2.454
  265   2HB   ASN  35          1HB       ASN  35  11.778   3.017  -3.605
  266   1HD2  ASN  35          1HD2      ASN  35  11.191   1.775  -0.329
  267   2HD2  ASN  35          2HD2      ASN  35  10.770   3.305   0.354
  268    H    TRP  36           H        TRP  36   9.402   2.196  -5.297
  269    HA   TRP  36           HA       TRP  36   7.053   3.229  -3.859
  270   1HB   TRP  36          2HB       TRP  36   8.497   4.181  -6.312
  271   2HB   TRP  36          1HB       TRP  36   6.793   4.572  -6.098
  272    HD1  TRP  36           HD1      TRP  36   9.865   6.241  -5.654
  273    HE1  TRP  36           HE1      TRP  36   9.831   7.938  -3.718
  274    HE3  TRP  36           HE3      TRP  36   5.689   4.597  -3.207
  275    HZ2  TRP  36           HZ2      TRP  36   8.242   8.504  -1.453
  276    HZ3  TRP  36           HZ3      TRP  36   4.980   5.771  -1.165
  277    HH2  TRP  36           HH2      TRP  36   6.231   7.683  -0.307
  278    H    TYR  37           H        TYR  37   5.028   2.427  -4.414
  279    HA   TYR  37           HA       TYR  37   4.740   1.038  -6.949
  280   1HB   TYR  37          2HB       TYR  37   4.042  -1.040  -6.108
  281   2HB   TYR  37          1HB       TYR  37   5.497  -0.646  -5.207
  282    HD1  TYR  37           HD1      TYR  37   5.449  -0.421  -2.843
  283    HD2  TYR  37           HD2      TYR  37   1.826  -0.841  -5.012
  284    HE1  TYR  37           HE1      TYR  37   4.235  -0.836  -0.742
  285    HE2  TYR  37           HE2      TYR  37   0.608  -1.242  -2.911
  286    HH   TYR  37           HH       TYR  37   1.959  -0.663   0.108
  287    H    ARG  38           H        ARG  38   2.376   0.259  -7.213
  288    HA   ARG  38           HA       ARG  38   0.714   2.500  -6.357
  289   1HB   ARG  38          2HB       ARG  38   0.194   2.581  -8.532
  290   2HB   ARG  38          1HB       ARG  38   1.062   1.089  -8.833
  291   1HG   ARG  38          2HG       ARG  38  -0.827  -0.014  -9.158
  292   2HG   ARG  38          1HG       ARG  38  -1.522   0.539  -7.655
  293   1HD   ARG  38          2HD       ARG  38  -2.911   1.812  -8.807
  294   2HD   ARG  38          1HD       ARG  38  -1.541   2.736  -9.404
  295    HE   ARG  38           HE       ARG  38  -2.632   0.365 -10.781
  296   1HH1  ARG  38          1HH1      ARG  38  -1.260   3.583 -10.850
  297   2HH1  ARG  38          2HH1      ARG  38  -1.278   3.683 -12.574
  298   1HH2  ARG  38          1HH2      ARG  38  -2.651   0.508 -13.054
  299   2HH2  ARG  38          2HH2      ARG  38  -2.065   1.943 -13.826
  300    H    ALA  39           H        ALA  39  -1.198   2.328  -5.468
  301    HA   ALA  39           HA       ALA  39  -1.957  -0.284  -4.360
  302   1HB   ALA  39          1HB       ALA  39  -2.456   2.251  -2.871
  303   2HB   ALA  39          2HB       ALA  39  -0.854   1.516  -2.840
  304   3HB   ALA  39          3HB       ALA  39  -2.251   0.612  -2.254
  305    H    GLU  40           H        GLU  40  -4.159  -0.712  -4.055
  306    HA   GLU  40           HA       GLU  40  -6.034   1.204  -5.276
  307   1HB   GLU  40          2HB       GLU  40  -6.041  -1.803  -5.620
  308   2HB   GLU  40          1HB       GLU  40  -7.247  -0.701  -6.264
  309   1HG   GLU  40          2HG       GLU  40  -5.873   0.061  -7.898
  310   2HG   GLU  40          1HG       GLU  40  -4.400  -0.280  -7.002
  311    H    LEU  41           H        LEU  41  -7.808   1.618  -4.086
  312    HA   LEU  41           HA       LEU  41  -9.004  -0.336  -2.394
  313   1HB   LEU  41          2HB       LEU  41  -7.030   1.172  -1.200
  314   2HB   LEU  41          1HB       LEU  41  -8.502   2.003  -0.738
  315    HG   LEU  41           HG       LEU  41  -7.621   0.221   0.862
  316   1HD1  LEU  41          1HD1      LEU  41  -9.855  -0.536   1.440
  317   2HD1  LEU  41          2HD1      LEU  41 -10.447  -0.043  -0.145
  318   3HD1  LEU  41          3HD1      LEU  41  -9.871   1.170   0.996
  319   1HD2  LEU  41          1HD2      LEU  41  -8.401  -2.096   0.313
  320   2HD2  LEU  41          2HD2      LEU  41  -7.035  -1.532  -0.647
  321   3HD2  LEU  41          3HD2      LEU  41  -8.653  -1.556  -1.343
  322    H    ASP  42           H        ASP  42 -11.100   0.097  -1.928
  323    HA   ASP  42           HA       ASP  42 -13.170   0.928  -2.354
  324   1HB   ASP  42          2HB       ASP  42 -11.652   3.433  -1.664
  325   2HB   ASP  42          1HB       ASP  42 -13.373   3.470  -2.037
  326    H    GLY  43           H        GLY  43 -11.274   0.635  -4.629
  327   1HA   GLY  43          2HA       GLY  43 -11.685   0.797  -6.918
  328   2HA   GLY  43          1HA       GLY  43 -12.939   1.977  -6.584
  329    H    LYS  44           H        LYS  44  -9.957   2.678  -5.064
  330    HA   LYS  44           HA       LYS  44  -9.302   4.618  -7.187
  331   1HB   LYS  44          2HB       LYS  44  -9.571   4.851  -4.242
  332   2HB   LYS  44          1HB       LYS  44  -8.220   5.714  -4.962
  333   1HG   LYS  44          2HG       LYS  44  -9.548   7.329  -5.691
  334   2HG   LYS  44          1HG       LYS  44 -10.629   6.171  -6.468
  335   1HD   LYS  44          2HD       LYS  44 -11.140   5.900  -3.743
  336   2HD   LYS  44          1HD       LYS  44 -10.955   7.637  -3.992
  337   1HE   LYS  44          2HE       LYS  44 -12.863   7.793  -5.169
  338   2HE   LYS  44          1HE       LYS  44 -12.568   6.284  -6.032
  339   1HZ   LYS  44          1HZ       LYS  44 -14.099   5.360  -4.748
  340   2HZ   LYS  44          2HZ       LYS  44 -14.251   6.759  -3.810
  341   3HZ   LYS  44          3HZ       LYS  44 -13.096   5.591  -3.405
  342    H    GLU  45           H        GLU  45  -7.167   4.788  -7.804
  343    HA   GLU  45           HA       GLU  45  -5.300   2.906  -6.540
  344   1HB   GLU  45          2HB       GLU  45  -5.406   4.014  -9.349
  345   2HB   GLU  45          1HB       GLU  45  -3.984   3.203  -8.719
  346   1HG   GLU  45          2HG       GLU  45  -4.869   1.307  -9.444
  347   2HG   GLU  45          1HG       GLU  45  -6.060   1.479  -8.157
  348    H    GLY  46           H        GLY  46  -2.936   3.637  -6.752
  349   1HA   GLY  46          2HA       GLY  46  -2.178   6.329  -6.836
  350   2HA   GLY  46          1HA       GLY  46  -2.680   5.947  -5.207
  351    H    LEU  47           H        LEU  47  -0.280   6.722  -5.147
  352    HA   LEU  47           HA       LEU  47   1.509   4.379  -5.367
  353   1HB   LEU  47          2HB       LEU  47   2.037   7.355  -5.395
  354   2HB   LEU  47          1HB       LEU  47   3.319   6.183  -5.160
  355    HG   LEU  47           HG       LEU  47   3.320   6.887  -7.456
  356   1HD1  LEU  47          1HD1      LEU  47   2.524   4.577  -8.500
  357   2HD1  LEU  47          2HD1      LEU  47   2.521   4.113  -6.803
  358   3HD1  LEU  47          3HD1      LEU  47   3.996   4.724  -7.543
  359   1HD2  LEU  47          1HD2      LEU  47   0.429   6.650  -7.159
  360   2HD2  LEU  47          2HD2      LEU  47   1.039   5.944  -8.651
  361   3HD2  LEU  47          3HD2      LEU  47   1.378   7.631  -8.269
  362    H    ILE  48           H        ILE  48   2.604   3.640  -3.553
  363    HA   ILE  48           HA       ILE  48   2.520   5.207  -1.104
  364    HB   ILE  48           HB       ILE  48   0.482   3.500  -1.490
  365   1HG1  ILE  48          2HG1      ILE  48   0.409   3.326   1.083
  366   2HG1  ILE  48          1HG1      ILE  48   1.873   4.274   1.037
  367   1HG2  ILE  48          1HG2      ILE  48   1.389   1.609   0.309
  368   2HG2  ILE  48          2HG2      ILE  48   2.690   1.735  -0.869
  369   3HG2  ILE  48          3HG2      ILE  48   1.054   1.368  -1.401
  370   1HD1  ILE  48          1HD1      ILE  48   0.831   6.158   0.429
  371   2HD1  ILE  48          2HD1      ILE  48  -0.530   5.356   1.217
  372   3HD1  ILE  48          3HD1      ILE  48  -0.370   5.304  -0.539
  373    HA   PRO  49           HA       PRO  49   6.469   3.249  -0.525
  374   1HB   PRO  49          2HB       PRO  49   6.849   3.366   2.132
  375   2HB   PRO  49          1HB       PRO  49   6.781   4.820   1.129
  376   1HG   PRO  49          2HG       PRO  49   4.710   3.653   2.892
  377   2HG   PRO  49          1HG       PRO  49   5.098   5.339   2.611
  378   1HD   PRO  49          2HD       PRO  49   3.016   3.942   1.461
  379   2HD   PRO  49          1HD       PRO  49   3.680   5.446   0.820
  380    H    SER  50           H        SER  50   7.114   1.261  -0.687
  381    HA   SER  50           HA       SER  50   5.631  -0.998  -0.108
  382   1HB   SER  50          2HB       SER  50   7.658  -0.694  -1.675
  383   2HB   SER  50          1HB       SER  50   8.614  -1.131  -0.258
  384    HG   SER  50           HG       SER  50   6.434  -2.753  -0.911
  385    H    ASN  51           H        ASN  51   8.061   0.464   1.973
  386    HA   ASN  51           HA       ASN  51   8.103  -1.718   3.868
  387   1HB   ASN  51          2HB       ASN  51   9.234   1.064   3.784
  388   2HB   ASN  51          1HB       ASN  51   9.243   0.155   5.291
  389   1HD2  ASN  51          1HD2      ASN  51  11.327   1.099   3.279
  390   2HD2  ASN  51          2HD2      ASN  51  12.304  -0.301   3.019
  391    H    TYR  52           H        TYR  52   5.895   0.711   3.185
  392    HA   TYR  52           HA       TYR  52   5.010   1.077   5.941
  393   1HB   TYR  52          2HB       TYR  52   5.033   3.074   4.744
  394   2HB   TYR  52          1HB       TYR  52   4.380   2.316   3.303
  395    HD1  TYR  52           HD1      TYR  52   3.545   3.694   6.608
  396    HD2  TYR  52           HD2      TYR  52   2.029   2.164   2.939
  397    HE1  TYR  52           HE1      TYR  52   1.318   4.562   7.169
  398    HE2  TYR  52           HE2      TYR  52  -0.208   3.019   3.498
  399    HH   TYR  52           HH       TYR  52  -1.059   4.065   6.583
  400    H    ILE  53           H        ILE  53   4.478  -1.221   3.645
  401    HA   ILE  53           HA       ILE  53   1.752  -1.747   4.632
  402    HB   ILE  53           HB       ILE  53   1.379  -3.039   2.534
  403   1HG1  ILE  53          2HG1      ILE  53   3.206  -1.791   0.803
  404   2HG1  ILE  53          1HG1      ILE  53   4.167  -2.351   2.156
  405   1HG2  ILE  53          1HG2      ILE  53   1.978  -0.337   1.564
  406   2HG2  ILE  53          2HG2      ILE  53   1.059  -0.391   3.061
  407   3HG2  ILE  53          3HG2      ILE  53   0.471  -1.208   1.640
  408   1HD1  ILE  53          1HD1      ILE  53   2.224  -4.227   0.936
  409   2HD1  ILE  53          2HD1      ILE  53   3.771  -4.536   1.716
  410   3HD1  ILE  53          3HD1      ILE  53   3.730  -3.875   0.085
  411    H    GLU  54           H        GLU  54   1.454  -3.538   5.718
  412    HA   GLU  54           HA       GLU  54   3.638  -5.394   6.115
  413   1HB   GLU  54          2HB       GLU  54   1.235  -4.620   7.540
  414   2HB   GLU  54          1HB       GLU  54   1.393  -6.369   7.467
  415   1HG   GLU  54          2HG       GLU  54   3.903  -5.700   8.165
  416   2HG   GLU  54          1HG       GLU  54   3.003  -4.379   8.912
  417    H    MET  55           H        MET  55   3.941  -6.969   4.673
  418    HA   MET  55           HA       MET  55   1.739  -8.740   4.050
  419   1HB   MET  55          2HB       MET  55   1.637  -8.473   1.775
  420   2HB   MET  55          1HB       MET  55   1.978  -6.828   2.272
  421   1HG   MET  55          2HG       MET  55   3.972  -8.804   1.195
  422   2HG   MET  55          1HG       MET  55   3.277  -7.436   0.332
  423   1HE   MET  55          1HE       MET  55   7.196  -7.233   1.446
  424   2HE   MET  55          2HE       MET  55   6.353  -6.669   0.008
  425   3HE   MET  55          3HE       MET  55   6.111  -8.318   0.585
  426    H    LYS  56           H        LYS  56   5.031  -8.132   4.541
  427    HA   LYS  56           HA       LYS  56   6.035 -10.585   3.417
  428   1HB   LYS  56          2HB       LYS  56   7.140  -8.242   4.872
  429   2HB   LYS  56          1HB       LYS  56   8.019  -9.752   5.044
  430   1HG   LYS  56          2HG       LYS  56   7.481  -9.483   2.305
  431   2HG   LYS  56          1HG       LYS  56   7.998  -7.894   2.871
  432   1HD   LYS  56          2HD       LYS  56   9.648  -9.969   4.004
  433   2HD   LYS  56          1HD       LYS  56   9.625 -10.078   2.244
  434   1HE   LYS  56          2HE       LYS  56  10.662  -8.068   1.970
  435   2HE   LYS  56          1HE       LYS  56   9.969  -7.388   3.441
  436   1HZ   LYS  56          1HZ       LYS  56  11.543  -9.265   4.466
  437   2HZ   LYS  56          2HZ       LYS  56  12.055  -7.677   4.191
  438   3HZ   LYS  56          3HZ       LYS  56  12.426  -8.890   3.073
  439    H    ASN  57           H        ASN  57   3.893 -11.046   5.227
  440    HA   ASN  57           HA       ASN  57   4.890 -11.752   7.798
  441   1HB   ASN  57          2HB       ASN  57   2.303 -12.396   6.379
  442   2HB   ASN  57          1HB       ASN  57   2.650 -12.873   8.039
  443   1HD2  ASN  57          1HD2      ASN  57   0.519 -11.212   7.236
  444   2HD2  ASN  57          2HD2      ASN  57   0.764  -9.654   7.940
  445    H    HIS  58           H        HIS  58   3.296 -14.045   5.468
  446    HA   HIS  58           HA       HIS  58   3.671 -16.155   5.019
  447   1HB   HIS  58          2HB       HIS  58   5.570 -15.007   3.903
  448   2HB   HIS  58          1HB       HIS  58   6.582 -15.415   5.281
  449    HD1  HIS  58           HD1      HIS  58   4.159 -17.600   3.315
  450    HD2  HIS  58           HD2      HIS  58   8.173 -17.400   4.368
  451    HE1  HIS  58           HE1      HIS  58   5.196 -19.706   2.414
  452    HE2  HIS  58           HE2      HIS  58   7.641 -19.527   2.997
  453    H    ASP  59           H        ASP  59   6.663 -16.420   6.778
  454    HA   ASP  59           HA       ASP  59   5.513 -18.573   8.315
  455   1HB   ASP  59          2HB       ASP  59   8.175 -17.732   7.530
  456   2HB   ASP  59          1HB       ASP  59   8.119 -18.155   9.239
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1  -4.573  -8.800  -4.266
    2   2H    MET   1          2H        MET   1  -3.834 -10.222  -3.656
    3   3H    MET   1          3H        MET   1  -3.531  -9.720  -5.258
    4    HA   MET   1           HA       MET   1  -1.887  -9.253  -3.293
    5   1HB   MET   1          2HB       MET   1  -2.506  -7.243  -5.470
    6   2HB   MET   1          1HB       MET   1  -0.960  -7.481  -4.673
    7   1HG   MET   1          2HG       MET   1  -0.613  -8.584  -6.643
    8   2HG   MET   1          1HG       MET   1  -1.157  -9.902  -5.610
    9   1HE   MET   1          1HE       MET   1  -2.497  -7.003  -7.519
   10   2HE   MET   1          2HE       MET   1  -4.174  -7.420  -7.165
   11   3HE   MET   1          3HE       MET   1  -3.522  -7.678  -8.784
   12    H    GLU   2           H        GLU   2  -2.825  -8.677  -1.233
   13    HA   GLU   2           HA       GLU   2  -3.344  -5.818  -1.066
   14   1HB   GLU   2          2HB       GLU   2  -5.142  -6.486   0.736
   15   2HB   GLU   2          1HB       GLU   2  -5.570  -6.418  -0.966
   16   1HG   GLU   2          2HG       GLU   2  -6.332  -8.483  -0.780
   17   2HG   GLU   2          1HG       GLU   2  -4.669  -9.022  -0.557
   18    H    ALA   3           H        ALA   3  -2.152  -4.921   0.497
   19    HA   ALA   3           HA       ALA   3  -1.104  -6.633   2.678
   20   1HB   ALA   3          1HB       ALA   3   0.824  -5.304   2.753
   21   2HB   ALA   3          2HB       ALA   3   0.070  -3.999   1.836
   22   3HB   ALA   3          3HB       ALA   3   0.516  -5.502   1.028
   23    H    ILE   4           H        ILE   4  -0.288  -4.914   4.477
   24    HA   ILE   4           HA       ILE   4  -2.690  -3.394   5.205
   25    HB   ILE   4           HB       ILE   4  -2.777  -5.505   6.381
   26   1HG1  ILE   4          2HG1      ILE   4  -3.328  -3.214   7.517
   27   2HG1  ILE   4          1HG1      ILE   4  -3.342  -4.696   8.460
   28   1HG2  ILE   4          1HG2      ILE   4  -0.178  -5.654   6.316
   29   2HG2  ILE   4          2HG2      ILE   4  -1.099  -6.486   7.563
   30   3HG2  ILE   4          3HG2      ILE   4  -0.296  -4.958   7.927
   31   1HD1  ILE   4          1HD1      ILE   4  -1.981  -2.351   9.013
   32   2HD1  ILE   4          2HD1      ILE   4  -0.733  -3.485   8.504
   33   3HD1  ILE   4          3HD1      ILE   4  -1.814  -3.897   9.837
   34    H    ALA   5           H        ALA   5  -2.383  -1.481   6.228
   35    HA   ALA   5           HA       ALA   5   0.171  -0.212   6.131
   36   1HB   ALA   5          1HB       ALA   5  -2.079   0.921   7.708
   37   2HB   ALA   5          2HB       ALA   5  -2.261   0.755   5.961
   38   3HB   ALA   5          3HB       ALA   5  -0.940   1.718   6.625
   39    H    LYS   6           H        LYS   6   1.754  -0.164   7.554
   40    HA   LYS   6           HA       LYS   6   1.297  -1.209  10.255
   41   1HB   LYS   6          2HB       LYS   6   3.802  -0.423   8.757
   42   2HB   LYS   6          1HB       LYS   6   3.811  -0.885  10.453
   43   1HG   LYS   6          2HG       LYS   6   2.723  -3.050   9.737
   44   2HG   LYS   6          1HG       LYS   6   3.089  -2.575   8.078
   45   1HD   LYS   6          2HD       LYS   6   5.208  -2.667  10.207
   46   2HD   LYS   6          1HD       LYS   6   4.763  -4.096   9.272
   47   1HE   LYS   6          2HE       LYS   6   6.335  -3.380   7.838
   48   2HE   LYS   6          1HE       LYS   6   5.090  -2.250   7.304
   49   1HZ   LYS   6          1HZ       LYS   6   5.978  -0.589   8.780
   50   2HZ   LYS   6          2HZ       LYS   6   7.215  -1.159   7.777
   51   3HZ   LYS   6          3HZ       LYS   6   7.126  -1.672   9.386
   52    H    HIS   7           H        HIS   7   1.611   1.769   8.601
   53    HA   HIS   7           HA       HIS   7   1.134   3.237  11.054
   54   1HB   HIS   7          2HB       HIS   7   2.933   4.970  10.129
   55   2HB   HIS   7          1HB       HIS   7   3.373   3.687  11.246
   56    HD1  HIS   7           HD1      HIS   7   3.986   1.337   9.641
   57    HD2  HIS   7           HD2      HIS   7   4.826   5.149   8.235
   58    HE1  HIS   7           HE1      HIS   7   5.762   1.030   7.895
   59    HE2  HIS   7           HE2      HIS   7   6.350   3.361   7.158
   60    H    ASP   8           H        ASP   8   1.019   5.658  10.428
   61    HA   ASP   8           HA       ASP   8  -1.077   5.770   8.453
   62   1HB   ASP   8          2HB       ASP   8  -1.329   8.138   9.302
   63   2HB   ASP   8          1HB       ASP   8  -1.517   6.879  10.520
   64    H    PHE   9           H        PHE   9  -1.151   7.014   6.575
   65    HA   PHE   9           HA       PHE   9   1.272   8.489   5.885
   66   1HB   PHE   9          2HB       PHE   9   1.090   6.015   4.914
   67   2HB   PHE   9          1HB       PHE   9   0.090   6.824   3.711
   68    HD1  PHE   9           HD1      PHE   9   1.156   7.473   1.799
   69    HD2  PHE   9           HD2      PHE   9   3.346   7.409   5.448
   70    HE1  PHE   9           HE1      PHE   9   3.180   8.182   0.592
   71    HE2  PHE   9           HE2      PHE   9   5.373   8.119   4.247
   72    HZ   PHE   9           HZ       PHE   9   5.292   8.506   1.816
   73    H    SER  10           H        SER  10   0.766  10.458   5.137
   74    HA   SER  10           HA       SER  10  -1.790  10.803   3.695
   75   1HB   SER  10          2HB       SER  10  -1.349  11.999   6.060
   76   2HB   SER  10          1HB       SER  10  -0.518  13.159   5.024
   77    HG   SER  10           HG       SER  10  -3.100  12.976   5.468
   78    H    ALA  11           H        ALA  11  -1.433  10.780   1.736
   79    HA   ALA  11           HA       ALA  11   0.933  11.358   0.380
   80   1HB   ALA  11          1HB       ALA  11  -0.473  11.171  -1.573
   81   2HB   ALA  11          2HB       ALA  11  -1.917  11.407  -0.604
   82   3HB   ALA  11          3HB       ALA  11  -0.934   9.957  -0.387
   83    H    THR  12           H        THR  12   1.841  13.406   0.727
   84    HA   THR  12           HA       THR  12   0.378  15.815   0.732
   85    HB   THR  12           HB       THR  12   2.573  15.740   1.709
   86    HG1  THR  12           HG1      THR  12   1.858  17.689   0.524
   87   1HG2  THR  12          1HG2      THR  12   3.632  15.154  -1.043
   88   2HG2  THR  12          2HG2      THR  12   3.658  14.070   0.348
   89   3HG2  THR  12          3HG2      THR  12   4.609  15.555   0.367
   90    H    ALA  13           H        ALA  13   2.269  14.349  -1.953
   91    HA   ALA  13           HA       ALA  13   1.269  16.364  -3.797
   92   1HB   ALA  13          1HB       ALA  13   2.796  13.934  -4.645
   93   2HB   ALA  13          2HB       ALA  13   3.615  15.236  -3.782
   94   3HB   ALA  13          3HB       ALA  13   2.819  15.563  -5.322
   95    H    ASP  14           H        ASP  14   0.236  15.717  -5.823
   96    HA   ASP  14           HA       ASP  14  -2.032  14.070  -5.358
   97   1HB   ASP  14          2HB       ASP  14  -2.551  14.524  -7.788
   98   2HB   ASP  14          1HB       ASP  14  -2.331  15.964  -6.798
   99    H    ASP  15           H        ASP  15  -2.700  12.210  -6.589
  100    HA   ASP  15           HA       ASP  15  -2.475  10.308  -7.862
  101   1HB   ASP  15          2HB       ASP  15   0.400  11.171  -8.254
  102   2HB   ASP  15          1HB       ASP  15  -0.358   9.787  -9.028
  103    H    GLU  16           H        GLU  16  -1.218  10.982  -5.027
  104    HA   GLU  16           HA       GLU  16   0.086   8.398  -4.493
  105   1HB   GLU  16          2HB       GLU  16   1.066  10.641  -3.769
  106   2HB   GLU  16          1HB       GLU  16  -0.247  10.699  -2.617
  107   1HG   GLU  16          2HG       GLU  16   0.823   9.360  -1.209
  108   2HG   GLU  16          1HG       GLU  16   1.094   8.174  -2.477
  109    H    LEU  17           H        LEU  17  -0.517   7.339  -2.407
  110    HA   LEU  17           HA       LEU  17  -3.414   7.612  -1.938
  111   1HB   LEU  17          2HB       LEU  17  -2.014   5.408  -2.944
  112   2HB   LEU  17          1HB       LEU  17  -2.381   5.009  -1.286
  113    HG   LEU  17           HG       LEU  17  -4.776   5.462  -1.724
  114   1HD1  LEU  17          1HD1      LEU  17  -3.757   6.681  -4.039
  115   2HD1  LEU  17          2HD1      LEU  17  -5.438   6.499  -3.547
  116   3HD1  LEU  17          3HD1      LEU  17  -4.690   5.282  -4.571
  117   1HD2  LEU  17          1HD2      LEU  17  -4.541   3.224  -1.884
  118   2HD2  LEU  17          2HD2      LEU  17  -3.204   3.331  -3.021
  119   3HD2  LEU  17          3HD2      LEU  17  -4.862   3.523  -3.586
  120    H    SER  18           H        SER  18  -4.106   7.845   0.070
  121    HA   SER  18           HA       SER  18  -2.146   7.703   2.263
  122   1HB   SER  18          2HB       SER  18  -4.879   8.985   2.358
  123   2HB   SER  18          1HB       SER  18  -3.562   9.164   3.517
  124    HG   SER  18           HG       SER  18  -3.463   9.993   0.804
  125    H    PHE  19           H        PHE  19  -2.733   6.696   4.252
  126    HA   PHE  19           HA       PHE  19  -5.169   5.254   4.554
  127   1HB   PHE  19          2HB       PHE  19  -3.018   3.263   4.637
  128   2HB   PHE  19          1HB       PHE  19  -4.671   3.107   4.101
  129    HD1  PHE  19           HD1      PHE  19  -1.406   4.534   3.023
  130    HD2  PHE  19           HD2      PHE  19  -5.104   2.773   1.891
  131    HE1  PHE  19           HE1      PHE  19  -0.622   4.365   0.728
  132    HE2  PHE  19           HE2      PHE  19  -4.320   2.605  -0.424
  133    HZ   PHE  19           HZ       PHE  19  -2.067   3.394  -1.019
  134    H    ARG  20           H        ARG  20  -5.023   3.739   6.525
  135    HA   ARG  20           HA       ARG  20  -3.217   4.950   8.514
  136   1HB   ARG  20          2HB       ARG  20  -6.168   4.386   8.738
  137   2HB   ARG  20          1HB       ARG  20  -5.149   4.663  10.145
  138   1HG   ARG  20          2HG       ARG  20  -4.579   6.879   9.320
  139   2HG   ARG  20          1HG       ARG  20  -5.549   6.602   7.873
  140   1HD   ARG  20          2HD       ARG  20  -7.514   6.896   8.969
  141   2HD   ARG  20          1HD       ARG  20  -6.903   6.205  10.472
  142    HE   ARG  20           HE       ARG  20  -6.290   8.305  11.154
  143   1HH1  ARG  20          1HH1      ARG  20  -6.983   8.391   7.732
  144   2HH1  ARG  20          2HH1      ARG  20  -6.903  10.119   7.634
  145   1HH2  ARG  20          1HH2      ARG  20  -6.187  10.576  11.023
  146   2HH2  ARG  20          2HH2      ARG  20  -6.451  11.358   9.501
  147    H    LYS  21           H        LYS  21  -2.842   3.700  10.424
  148    HA   LYS  21           HA       LYS  21  -1.941   1.135   9.945
  149   1HB   LYS  21          2HB       LYS  21  -1.130   2.466  11.800
  150   2HB   LYS  21          1HB       LYS  21  -2.703   2.401  12.578
  151   1HG   LYS  21          2HG       LYS  21  -1.426  -0.194  11.987
  152   2HG   LYS  21          1HG       LYS  21  -0.668   0.801  13.232
  153   1HD   LYS  21          2HD       LYS  21  -3.445   0.890  13.709
  154   2HD   LYS  21          1HD       LYS  21  -3.043  -0.797  13.389
  155   1HE   LYS  21          2HE       LYS  21  -1.004  -0.008  15.040
  156   2HE   LYS  21          1HE       LYS  21  -2.376   0.898  15.677
  157   1HZ   LYS  21          1HZ       LYS  21  -2.801  -0.981  16.782
  158   2HZ   LYS  21          2HZ       LYS  21  -1.839  -1.933  15.768
  159   3HZ   LYS  21          3HZ       LYS  21  -3.425  -1.554  15.317
  160    H    GLY  22           H        GLY  22  -2.749  -0.843   9.971
  161   1HA   GLY  22          2HA       GLY  22  -4.185  -2.582  10.621
  162   2HA   GLY  22          1HA       GLY  22  -5.323  -1.390  11.227
  163    H    GLN  23           H        GLN  23  -4.713  -0.083   8.345
  164    HA   GLN  23           HA       GLN  23  -7.119  -1.115   7.206
  165   1HB   GLN  23          2HB       GLN  23  -5.900   1.270   7.092
  166   2HB   GLN  23          1HB       GLN  23  -5.290   0.570   5.604
  167   1HG   GLN  23          2HG       GLN  23  -8.185   0.305   6.048
  168   2HG   GLN  23          1HG       GLN  23  -7.592   1.946   5.804
  169   1HE2  GLN  23          1HE2      GLN  23  -5.376   0.899   4.063
  170   2HE2  GLN  23          2HE2      GLN  23  -6.134   0.555   2.554
  171    H    ILE  24           H        ILE  24  -7.342  -1.958   4.975
  172    HA   ILE  24           HA       ILE  24  -4.932  -3.445   4.147
  173    HB   ILE  24           HB       ILE  24  -7.645  -4.389   3.334
  174   1HG1  ILE  24          2HG1      ILE  24  -6.416  -5.309   5.925
  175   2HG1  ILE  24          1HG1      ILE  24  -7.542  -3.956   5.893
  176   1HG2  ILE  24          1HG2      ILE  24  -5.838  -6.435   4.135
  177   2HG2  ILE  24          2HG2      ILE  24  -4.970  -5.288   3.118
  178   3HG2  ILE  24          3HG2      ILE  24  -6.436  -6.058   2.518
  179   1HD1  ILE  24          1HD1      ILE  24  -8.278  -6.567   4.647
  180   2HD1  ILE  24          2HD1      ILE  24  -9.322  -5.288   5.267
  181   3HD1  ILE  24          3HD1      ILE  24  -8.430  -6.319   6.386
  182    H    LEU  25           H        LEU  25  -4.054  -2.454   2.487
  183    HA   LEU  25           HA       LEU  25  -5.726  -1.235   0.412
  184   1HB   LEU  25          2HB       LEU  25  -3.280  -0.574  -0.382
  185   2HB   LEU  25          1HB       LEU  25  -4.152   0.328   0.838
  186    HG   LEU  25           HG       LEU  25  -2.906  -0.830   2.601
  187   1HD1  LEU  25          1HD1      LEU  25  -0.819  -2.091   1.669
  188   2HD1  LEU  25          2HD1      LEU  25  -1.855  -2.371   0.278
  189   3HD1  LEU  25          3HD1      LEU  25  -2.344  -2.928   1.875
  190   1HD2  LEU  25          1HD2      LEU  25  -1.500   0.877   2.404
  191   2HD2  LEU  25          2HD2      LEU  25  -1.847   0.998   0.679
  192   3HD2  LEU  25          3HD2      LEU  25  -0.552  -0.055   1.245
  193    H    LYS  26           H        LYS  26  -5.659  -1.871  -1.765
  194    HA   LYS  26           HA       LYS  26  -4.451  -4.488  -2.272
  195   1HB   LYS  26          2HB       LYS  26  -6.459  -2.897  -3.872
  196   2HB   LYS  26          1HB       LYS  26  -5.865  -4.485  -4.320
  197   1HG   LYS  26          2HG       LYS  26  -6.810  -4.681  -1.676
  198   2HG   LYS  26          1HG       LYS  26  -8.016  -3.770  -2.591
  199   1HD   LYS  26          2HD       LYS  26  -8.274  -5.512  -4.170
  200   2HD   LYS  26          1HD       LYS  26  -6.836  -6.351  -3.585
  201   1HE   LYS  26          2HE       LYS  26  -8.338  -7.601  -2.467
  202   2HE   LYS  26          1HE       LYS  26  -8.298  -6.261  -1.322
  203   1HZ   LYS  26          1HZ       LYS  26 -10.260  -5.357  -2.248
  204   2HZ   LYS  26          2HZ       LYS  26 -10.563  -7.005  -2.021
  205   3HZ   LYS  26          3HZ       LYS  26 -10.226  -6.414  -3.570
  206    H    ILE  27           H        ILE  27  -2.628  -4.681  -3.395
  207    HA   ILE  27           HA       ILE  27  -1.522  -2.368  -4.756
  208    HB   ILE  27           HB       ILE  27  -0.457  -4.755  -3.506
  209   1HG1  ILE  27          2HG1      ILE  27   1.136  -2.384  -4.408
  210   2HG1  ILE  27          1HG1      ILE  27  -0.064  -2.211  -3.132
  211   1HG2  ILE  27          1HG2      ILE  27  -0.101  -5.311  -5.977
  212   2HG2  ILE  27          2HG2      ILE  27   1.290  -5.344  -4.910
  213   3HG2  ILE  27          3HG2      ILE  27   1.046  -3.970  -5.972
  214   1HD1  ILE  27          1HD1      ILE  27   2.540  -2.885  -2.760
  215   2HD1  ILE  27          2HD1      ILE  27   1.752  -4.459  -2.752
  216   3HD1  ILE  27          3HD1      ILE  27   1.233  -3.210  -1.622
  217    H    LEU  28           H        LEU  28  -0.906  -2.298  -6.896
  218    HA   LEU  28           HA       LEU  28  -2.061  -4.341  -8.686
  219   1HB   LEU  28          2HB       LEU  28  -2.478  -1.425  -8.619
  220   2HB   LEU  28          1HB       LEU  28  -2.076  -2.058 -10.202
  221    HG   LEU  28           HG       LEU  28  -4.504  -1.875  -9.841
  222   1HD1  LEU  28          1HD1      LEU  28  -4.677  -4.639 -10.060
  223   2HD1  LEU  28          2HD1      LEU  28  -3.070  -4.241 -10.665
  224   3HD1  LEU  28          3HD1      LEU  28  -4.493  -3.478 -11.375
  225   1HD2  LEU  28          1HD2      LEU  28  -4.175  -4.058  -7.796
  226   2HD2  LEU  28          2HD2      LEU  28  -5.660  -3.227  -8.261
  227   3HD2  LEU  28          3HD2      LEU  28  -4.399  -2.357  -7.388
  228    H    ASN  29           H        ASN  29   0.570  -4.176  -7.641
  229    HA   ASN  29           HA       ASN  29   2.247  -5.014  -9.396
  230   1HB   ASN  29          2HB       ASN  29   1.598  -2.659 -10.621
  231   2HB   ASN  29          1HB       ASN  29   3.100  -2.238  -9.816
  232   1HD2  ASN  29          1HD2      ASN  29   1.594  -4.359 -12.139
  233   2HD2  ASN  29          2HD2      ASN  29   3.050  -4.844 -12.931
  234    H    MET  30           H        MET  30   2.811  -5.677  -7.232
  235    HA   MET  30           HA       MET  30   4.623  -3.793  -5.886
  236   1HB   MET  30          2HB       MET  30   4.113  -4.722  -3.851
  237   2HB   MET  30          1HB       MET  30   2.605  -4.963  -4.693
  238   1HG   MET  30          2HG       MET  30   4.080  -7.267  -5.218
  239   2HG   MET  30          1HG       MET  30   4.382  -6.892  -3.525
  240   1HE   MET  30          1HE       MET  30   1.154  -6.075  -2.218
  241   2HE   MET  30          2HE       MET  30   2.843  -6.457  -1.881
  242   3HE   MET  30          3HE       MET  30   1.590  -7.665  -1.594
  243    H    GLU  31           H        GLU  31   4.742  -6.187  -8.084
  244    HA   GLU  31           HA       GLU  31   7.070  -7.596  -7.057
  245   1HB   GLU  31          2HB       GLU  31   5.292  -7.924  -9.425
  246   2HB   GLU  31          1HB       GLU  31   6.889  -8.659  -9.417
  247   1HG   GLU  31          2HG       GLU  31   4.916  -9.084  -7.197
  248   2HG   GLU  31          1HG       GLU  31   4.953 -10.093  -8.642
  249    H    ASP  32           H        ASP  32   7.151  -4.627  -7.751
  250    HA   ASP  32           HA       ASP  32   9.219  -4.963  -9.736
  251   1HB   ASP  32          2HB       ASP  32   7.177  -3.039  -9.779
  252   2HB   ASP  32          1HB       ASP  32   8.726  -2.203  -9.709
  253    H    ASP  33           H        ASP  33   9.124  -4.966  -6.766
  254    HA   ASP  33           HA       ASP  33  10.627  -4.985  -5.167
  255   1HB   ASP  33          2HB       ASP  33  12.207  -5.586  -7.073
  256   2HB   ASP  33          1HB       ASP  33  12.766  -3.920  -6.979
  257    H    SER  34           H        SER  34  12.821  -2.659  -5.922
  258    HA   SER  34           HA       SER  34  13.416  -0.856  -4.701
  259   1HB   SER  34          2HB       SER  34  12.018  -0.405  -6.993
  260   2HB   SER  34          1HB       SER  34  11.213   0.683  -5.864
  261    HG   SER  34           HG       SER  34  13.786   0.960  -5.429
  262    H    ASN  35           H        ASN  35  12.045   1.426  -4.125
  263    HA   ASN  35           HA       ASN  35  10.976   0.851  -1.472
  264   1HB   ASN  35          2HB       ASN  35  12.347   3.090  -2.783
  265   2HB   ASN  35          1HB       ASN  35  11.118   3.561  -1.613
  266   1HD2  ASN  35          1HD2      ASN  35  14.266   2.421  -2.074
  267   2HD2  ASN  35          2HD2      ASN  35  14.672   2.148  -0.417
  268    H    TRP  36           H        TRP  36   9.664   2.130  -4.526
  269    HA   TRP  36           HA       TRP  36   7.268   2.922  -3.025
  270   1HB   TRP  36          2HB       TRP  36   8.722   4.214  -5.083
  271   2HB   TRP  36          1HB       TRP  36   7.176   3.754  -5.782
  272    HD1  TRP  36           HD1      TRP  36   5.015   4.485  -3.908
  273    HE1  TRP  36           HE1      TRP  36   4.687   6.838  -2.916
  274    HE3  TRP  36           HE3      TRP  36   9.758   6.296  -4.520
  275    HZ2  TRP  36           HZ2      TRP  36   6.234   9.156  -2.456
  276    HZ3  TRP  36           HZ3      TRP  36  10.249   8.591  -3.780
  277    HH2  TRP  36           HH2      TRP  36   8.522   9.990  -2.770
  278    H    TYR  37           H        TYR  37   5.308   1.948  -3.428
  279    HA   TYR  37           HA       TYR  37   5.157   0.031  -5.666
  280   1HB   TYR  37          2HB       TYR  37   4.391  -0.298  -2.789
  281   2HB   TYR  37          1HB       TYR  37   3.486  -1.168  -4.021
  282    HD1  TYR  37           HD1      TYR  37   5.972  -1.593  -5.865
  283    HD2  TYR  37           HD2      TYR  37   5.259  -2.250  -1.727
  284    HE1  TYR  37           HE1      TYR  37   7.677  -3.362  -5.856
  285    HE2  TYR  37           HE2      TYR  37   6.960  -4.022  -1.707
  286    HH   TYR  37           HH       TYR  37   8.326  -5.292  -4.586
  287    H    ARG  38           H        ARG  38   2.964  -0.405  -6.467
  288    HA   ARG  38           HA       ARG  38   1.286   1.987  -6.201
  289   1HB   ARG  38          2HB       ARG  38   2.245   0.801  -8.474
  290   2HB   ARG  38          1HB       ARG  38   0.652   0.078  -8.360
  291   1HG   ARG  38          2HG       ARG  38   0.268   1.924  -9.671
  292   2HG   ARG  38          1HG       ARG  38  -0.166   2.513  -8.066
  293   1HD   ARG  38          2HD       ARG  38   1.161   4.221  -8.690
  294   2HD   ARG  38          1HD       ARG  38   2.416   3.162  -8.057
  295    HE   ARG  38           HE       ARG  38   1.898   3.807 -10.848
  296   1HH1  ARG  38          1HH1      ARG  38   3.662   1.844  -8.556
  297   2HH1  ARG  38          2HH1      ARG  38   4.896   1.414  -9.690
  298   1HH2  ARG  38          1HH2      ARG  38   3.532   3.250 -12.329
  299   2HH2  ARG  38          2HH2      ARG  38   4.827   2.215 -11.827
  300    H    ALA  39           H        ALA  39  -0.585   1.896  -5.206
  301    HA   ALA  39           HA       ALA  39  -2.003  -0.667  -5.049
  302   1HB   ALA  39          1HB       ALA  39  -0.772  -0.459  -2.971
  303   2HB   ALA  39          2HB       ALA  39  -2.503  -0.304  -2.678
  304   3HB   ALA  39          3HB       ALA  39  -1.478   1.131  -2.691
  305    H    GLU  40           H        GLU  40  -4.217  -0.317  -3.977
  306    HA   GLU  40           HA       GLU  40  -5.449   2.193  -4.904
  307   1HB   GLU  40          2HB       GLU  40  -7.474   0.782  -5.478
  308   2HB   GLU  40          1HB       GLU  40  -6.096   0.594  -6.553
  309   1HG   GLU  40          2HG       GLU  40  -5.771  -1.548  -5.980
  310   2HG   GLU  40          1HG       GLU  40  -6.190  -1.267  -4.292
  311    H    LEU  41           H        LEU  41  -6.860   3.110  -3.505
  312    HA   LEU  41           HA       LEU  41  -7.844   1.530  -1.240
  313   1HB   LEU  41          2HB       LEU  41  -6.319   2.613   0.028
  314   2HB   LEU  41          1HB       LEU  41  -6.042   3.841  -1.183
  315    HG   LEU  41           HG       LEU  41  -8.601   4.287   0.066
  316   1HD1  LEU  41          1HD1      LEU  41  -6.392   4.563   2.038
  317   2HD1  LEU  41          2HD1      LEU  41  -7.199   3.005   1.876
  318   3HD1  LEU  41          3HD1      LEU  41  -8.129   4.442   2.301
  319   1HD2  LEU  41          1HD2      LEU  41  -7.438   6.010  -1.090
  320   2HD2  LEU  41          2HD2      LEU  41  -6.001   5.799  -0.092
  321   3HD2  LEU  41          3HD2      LEU  41  -7.478   6.458   0.615
  322    H    ASP  42           H        ASP  42  -9.951   1.653  -1.102
  323    HA   ASP  42           HA       ASP  42 -12.114   2.207  -1.494
  324   1HB   ASP  42          2HB       ASP  42 -10.861   4.552  -0.476
  325   2HB   ASP  42          1HB       ASP  42 -12.023   5.046  -1.703
  326    H    GLY  43           H        GLY  43 -10.695   1.538  -3.771
  327   1HA   GLY  43          2HA       GLY  43 -11.103   1.488  -6.053
  328   2HA   GLY  43          1HA       GLY  43 -12.376   2.672  -5.798
  329    H    LYS  44           H        LYS  44  -9.279   3.493  -4.579
  330    HA   LYS  44           HA       LYS  44  -8.821   5.279  -6.884
  331   1HB   LYS  44          2HB       LYS  44  -9.521   6.252  -4.573
  332   2HB   LYS  44          1HB       LYS  44  -7.889   5.834  -4.072
  333   1HG   LYS  44          2HG       LYS  44  -6.987   7.251  -5.860
  334   2HG   LYS  44          1HG       LYS  44  -8.632   7.686  -6.330
  335   1HD   LYS  44          2HD       LYS  44  -8.118   9.464  -4.979
  336   2HD   LYS  44          1HD       LYS  44  -8.817   8.364  -3.788
  337   1HE   LYS  44          2HE       LYS  44  -6.064   7.760  -4.038
  338   2HE   LYS  44          1HE       LYS  44  -6.210   9.501  -3.852
  339   1HZ   LYS  44          1HZ       LYS  44  -7.079   7.373  -2.008
  340   2HZ   LYS  44          2HZ       LYS  44  -7.765   8.914  -1.925
  341   3HZ   LYS  44          3HZ       LYS  44  -6.102   8.715  -1.688
  342    H    GLU  45           H        GLU  45  -6.703   5.345  -7.695
  343    HA   GLU  45           HA       GLU  45  -4.826   3.442  -6.458
  344   1HB   GLU  45          2HB       GLU  45  -3.671   3.477  -8.711
  345   2HB   GLU  45          1HB       GLU  45  -5.274   2.756  -8.703
  346   1HG   GLU  45          2HG       GLU  45  -6.124   4.316 -10.067
  347   2HG   GLU  45          1HG       GLU  45  -5.237   5.626  -9.289
  348    H    GLY  46           H        GLY  46  -2.504   4.008  -6.679
  349   1HA   GLY  46          2HA       GLY  46  -1.531   6.590  -7.053
  350   2HA   GLY  46          1HA       GLY  46  -2.074   6.471  -5.388
  351    H    LEU  47           H        LEU  47   0.407   7.013  -5.401
  352    HA   LEU  47           HA       LEU  47   1.989   4.519  -5.383
  353   1HB   LEU  47          2HB       LEU  47   3.349   7.110  -4.970
  354   2HB   LEU  47          1HB       LEU  47   3.838   5.731  -5.933
  355    HG   LEU  47           HG       LEU  47   1.853   7.858  -6.748
  356   1HD1  LEU  47          1HD1      LEU  47   3.485   8.760  -8.092
  357   2HD1  LEU  47          2HD1      LEU  47   4.421   7.265  -8.144
  358   3HD1  LEU  47          3HD1      LEU  47   4.433   8.263  -6.690
  359   1HD2  LEU  47          1HD2      LEU  47   1.077   5.945  -7.811
  360   2HD2  LEU  47          2HD2      LEU  47   2.700   5.289  -8.023
  361   3HD2  LEU  47          3HD2      LEU  47   2.168   6.653  -9.003
  362    H    ILE  48           H        ILE  48   3.095   3.874  -3.553
  363    HA   ILE  48           HA       ILE  48   2.988   5.504  -1.135
  364    HB   ILE  48           HB       ILE  48   1.977   3.829   0.240
  365   1HG1  ILE  48          2HG1      ILE  48   1.613   2.050  -2.176
  366   2HG1  ILE  48          1HG1      ILE  48   2.963   1.867  -1.061
  367   1HG2  ILE  48          1HG2      ILE  48   0.622   5.164  -1.770
  368   2HG2  ILE  48          2HG2      ILE  48  -0.066   4.440  -0.338
  369   3HG2  ILE  48          3HG2      ILE  48  -0.018   3.526  -1.836
  370   1HD1  ILE  48          1HD1      ILE  48   0.884   1.859   0.665
  371   2HD1  ILE  48          2HD1      ILE  48   1.594   0.412  -0.050
  372   3HD1  ILE  48          3HD1      ILE  48   0.143   1.124  -0.755
  373    HA   PRO  49           HA       PRO  49   6.896   3.533  -0.552
  374   1HB   PRO  49          2HB       PRO  49   7.311   3.683   2.114
  375   2HB   PRO  49          1HB       PRO  49   7.276   5.125   1.091
  376   1HG   PRO  49          2HG       PRO  49   5.172   4.033   2.890
  377   2HG   PRO  49          1HG       PRO  49   5.608   5.714   2.579
  378   1HD   PRO  49          2HD       PRO  49   3.456   4.386   1.437
  379   2HD   PRO  49          1HD       PRO  49   4.213   5.847   0.778
  380    H    SER  50           H        SER  50   7.388   1.486  -0.776
  381    HA   SER  50           HA       SER  50   5.783  -0.655  -0.081
  382   1HB   SER  50          2HB       SER  50   7.428  -2.043  -0.961
  383   2HB   SER  50          1HB       SER  50   7.753  -0.510  -1.765
  384    HG   SER  50           HG       SER  50   9.442  -1.922  -0.417
  385    H    ASN  51           H        ASN  51   8.285   0.807   1.817
  386    HA   ASN  51           HA       ASN  51   8.530  -1.312   3.741
  387   1HB   ASN  51          2HB       ASN  51   9.832   1.141   3.150
  388   2HB   ASN  51          1HB       ASN  51   9.269   1.247   4.814
  389   1HD2  ASN  51          1HD2      ASN  51  11.782   1.352   4.793
  390   2HD2  ASN  51          2HD2      ASN  51  12.567  -0.150   5.125
  391    H    TYR  52           H        TYR  52   6.094   0.852   3.067
  392    HA   TYR  52           HA       TYR  52   5.215   1.200   5.822
  393   1HB   TYR  52          2HB       TYR  52   4.935   3.199   4.745
  394   2HB   TYR  52          1HB       TYR  52   4.635   2.440   3.197
  395    HD1  TYR  52           HD1      TYR  52   2.433   2.074   2.410
  396    HD2  TYR  52           HD2      TYR  52   3.084   3.364   6.411
  397    HE1  TYR  52           HE1      TYR  52   0.033   2.563   2.638
  398    HE2  TYR  52           HE2      TYR  52   0.693   3.851   6.637
  399    HH   TYR  52           HH       TYR  52  -1.501   2.894   5.425
  400    H    ILE  53           H        ILE  53   4.867  -1.175   3.534
  401    HA   ILE  53           HA       ILE  53   2.240  -1.956   4.621
  402    HB   ILE  53           HB       ILE  53   2.163  -3.348   2.373
  403   1HG1  ILE  53          2HG1      ILE  53   3.364  -0.867   1.235
  404   2HG1  ILE  53          1HG1      ILE  53   4.457  -2.119   1.813
  405   1HG2  ILE  53          1HG2      ILE  53   1.472  -0.431   2.293
  406   2HG2  ILE  53          2HG2      ILE  53   0.587  -1.596   3.280
  407   3HG2  ILE  53          3HG2      ILE  53   0.643  -1.783   1.528
  408   1HD1  ILE  53          1HD1      ILE  53   2.613  -2.129  -0.501
  409   2HD1  ILE  53          2HD1      ILE  53   2.885  -3.654   0.341
  410   3HD1  ILE  53          3HD1      ILE  53   4.246  -2.772  -0.344
  411    H    GLU  54           H        GLU  54   1.867  -4.216   4.904
  412    HA   GLU  54           HA       GLU  54   3.989  -6.110   4.497
  413   1HB   GLU  54          2HB       GLU  54   4.393  -4.712   6.722
  414   2HB   GLU  54          1HB       GLU  54   3.224  -5.856   7.367
  415   1HG   GLU  54          2HG       GLU  54   4.942  -7.211   7.727
  416   2HG   GLU  54          1HG       GLU  54   4.987  -7.456   5.983
  417    H    MET  55           H        MET  55   3.330  -8.245   5.800
  418    HA   MET  55           HA       MET  55   0.417  -8.557   5.499
  419   1HB   MET  55          2HB       MET  55   1.706  -9.613   3.654
  420   2HB   MET  55          1HB       MET  55   2.521 -10.622   4.841
  421   1HG   MET  55          2HG       MET  55   0.772 -11.885   3.812
  422   2HG   MET  55          1HG       MET  55   0.335 -11.565   5.490
  423   1HE   MET  55          1HE       MET  55  -1.451 -10.910   6.264
  424   2HE   MET  55          2HE       MET  55  -2.830 -11.352   5.257
  425   3HE   MET  55          3HE       MET  55  -2.556  -9.664   5.685
  426    H    LYS  56           H        LYS  56  -0.504  -8.954   7.377
  427    HA   LYS  56           HA       LYS  56   0.431 -11.076   9.063
  428   1HB   LYS  56          2HB       LYS  56   0.669  -9.721  11.107
  429   2HB   LYS  56          1HB       LYS  56   1.878  -9.319   9.896
  430   1HG   LYS  56          2HG       LYS  56   1.294  -7.194  10.038
  431   2HG   LYS  56          1HG       LYS  56  -0.325  -7.606   9.470
  432   1HD   LYS  56          2HD       LYS  56  -1.162  -7.806  11.645
  433   2HD   LYS  56          1HD       LYS  56   0.449  -7.958  12.347
  434   1HE   LYS  56          2HE       LYS  56   0.911  -5.625  11.819
  435   2HE   LYS  56          1HE       LYS  56  -0.676  -5.470  11.067
  436   1HZ   LYS  56          1HZ       LYS  56   0.006  -5.733  13.917
  437   2HZ   LYS  56          2HZ       LYS  56  -1.514  -6.238  13.371
  438   3HZ   LYS  56          3HZ       LYS  56  -1.033  -4.630  13.163
  439    H    ASN  57           H        ASN  57  -1.650 -11.840   8.462
  440    HA   ASN  57           HA       ASN  57  -3.841 -10.547   9.951
  441   1HB   ASN  57          2HB       ASN  57  -3.671 -11.276   7.153
  442   2HB   ASN  57          1HB       ASN  57  -5.016 -12.098   7.931
  443   1HD2  ASN  57          1HD2      ASN  57  -6.805 -11.040   7.519
  444   2HD2  ASN  57          2HD2      ASN  57  -7.018  -9.327   7.584
  445    H    HIS  58           H        HIS  58  -2.179 -12.447  11.151
  446    HA   HIS  58           HA       HIS  58  -2.176 -14.312  12.328
  447   1HB   HIS  58          2HB       HIS  58  -4.184 -13.296  13.250
  448   2HB   HIS  58          1HB       HIS  58  -5.168 -14.087  12.026
  449    HD1  HIS  58           HD1      HIS  58  -2.679 -15.243  14.679
  450    HD2  HIS  58           HD2      HIS  58  -6.345 -16.289  13.025
  451    HE1  HIS  58           HE1      HIS  58  -3.434 -17.280  15.948
  452    HE2  HIS  58           HE2      HIS  58  -5.616 -17.941  14.876
  453    H    ASP  59           H        ASP  59  -1.121 -15.372  10.575
  454    HA   ASP  59           HA       ASP  59  -0.696 -17.230   9.332
  455   1HB   ASP  59          2HB       ASP  59  -3.211 -18.192  10.706
  456   2HB   ASP  59          1HB       ASP  59  -2.221 -19.211   9.669
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1   0.537  -9.521  -3.096
    2   2H    MET   1          2H        MET   1  -0.465 -10.794  -3.657
    3   3H    MET   1          3H        MET   1  -0.785 -10.048  -2.148
    4    HA   MET   1           HA       MET   1  -0.675  -8.222  -4.326
    5   1HB   MET   1          2HB       MET   1  -2.685  -8.874  -5.424
    6   2HB   MET   1          1HB       MET   1  -1.696 -10.320  -5.351
    7   1HG   MET   1          2HG       MET   1  -3.879  -9.680  -3.393
    8   2HG   MET   1          1HG       MET   1  -4.116 -10.643  -4.846
    9   1HE   MET   1          1HE       MET   1  -1.302 -13.419  -3.992
   10   2HE   MET   1          2HE       MET   1  -1.380 -12.002  -5.035
   11   3HE   MET   1          3HE       MET   1  -2.653 -13.218  -5.108
   12    H    GLU   2           H        GLU   2  -1.677  -9.147  -1.199
   13    HA   GLU   2           HA       GLU   2  -3.007  -6.565  -1.087
   14   1HB   GLU   2          2HB       GLU   2  -4.088  -9.044   0.274
   15   2HB   GLU   2          1HB       GLU   2  -4.733  -7.419   0.449
   16   1HG   GLU   2          2HG       GLU   2  -5.879  -7.541  -1.442
   17   2HG   GLU   2          1HG       GLU   2  -4.550  -8.284  -2.323
   18    H    ALA   3           H        ALA   3  -2.527  -5.389   0.754
   19    HA   ALA   3           HA       ALA   3  -1.077  -6.752   2.930
   20   1HB   ALA   3          1HB       ALA   3   0.537  -4.846   2.999
   21   2HB   ALA   3          2HB       ALA   3  -0.102  -4.328   1.439
   22   3HB   ALA   3          3HB       ALA   3   0.687  -5.896   1.591
   23    H    ILE   4           H        ILE   4  -0.512  -5.020   4.686
   24    HA   ILE   4           HA       ILE   4  -2.940  -3.430   5.169
   25    HB   ILE   4           HB       ILE   4  -1.666  -5.181   7.273
   26   1HG1  ILE   4          2HG1      ILE   4  -4.227  -5.635   5.723
   27   2HG1  ILE   4          1HG1      ILE   4  -2.731  -6.535   5.501
   28   1HG2  ILE   4          1HG2      ILE   4  -3.455  -2.992   7.430
   29   2HG2  ILE   4          2HG2      ILE   4  -2.896  -4.048   8.727
   30   3HG2  ILE   4          3HG2      ILE   4  -4.361  -4.451   7.832
   31   1HD1  ILE   4          1HD1      ILE   4  -4.725  -7.411   7.024
   32   2HD1  ILE   4          2HD1      ILE   4  -3.860  -6.464   8.235
   33   3HD1  ILE   4          3HD1      ILE   4  -3.033  -7.766   7.377
   34    H    ALA   5           H        ALA   5  -2.685  -1.552   6.286
   35    HA   ALA   5           HA       ALA   5  -0.089  -0.374   6.432
   36   1HB   ALA   5          1HB       ALA   5  -2.810   0.527   7.327
   37   2HB   ALA   5          2HB       ALA   5  -1.902   1.047   5.908
   38   3HB   ALA   5          3HB       ALA   5  -1.358   1.509   7.521
   39    H    LYS   6           H        LYS   6   1.348  -0.370   7.990
   40    HA   LYS   6           HA       LYS   6   0.623  -1.466  10.616
   41   1HB   LYS   6          2HB       LYS   6   2.739  -2.145   9.358
   42   2HB   LYS   6          1HB       LYS   6   3.364  -0.549   9.756
   43   1HG   LYS   6          2HG       LYS   6   4.180  -2.169  11.344
   44   2HG   LYS   6          1HG       LYS   6   3.074  -1.053  12.146
   45   1HD   LYS   6          2HD       LYS   6   1.428  -3.100  11.267
   46   2HD   LYS   6          1HD       LYS   6   2.889  -3.933  11.800
   47   1HE   LYS   6          2HE       LYS   6   2.008  -3.806  13.849
   48   2HE   LYS   6          1HE       LYS   6   2.482  -2.108  13.804
   49   1HZ   LYS   6          1HZ       LYS   6   0.263  -2.017  14.369
   50   2HZ   LYS   6          2HZ       LYS   6  -0.174  -3.301  13.358
   51   3HZ   LYS   6          3HZ       LYS   6   0.197  -1.791  12.693
   52    H    HIS   7           H        HIS   7   1.403   1.526   9.085
   53    HA   HIS   7           HA       HIS   7   0.758   2.967  11.549
   54   1HB   HIS   7          2HB       HIS   7   3.143   3.647   9.835
   55   2HB   HIS   7          1HB       HIS   7   2.641   4.494  11.287
   56    HD1  HIS   7           HD1      HIS   7   3.110   3.255  13.565
   57    HD2  HIS   7           HD2      HIS   7   4.736   1.441  10.201
   58    HE1  HIS   7           HE1      HIS   7   4.821   1.632  14.437
   59    HE2  HIS   7           HE2      HIS   7   5.877   0.637  12.377
   60    H    ASP   8           H        ASP   8   0.734   5.372  10.976
   61    HA   ASP   8           HA       ASP   8  -1.200   5.647   8.864
   62   1HB   ASP   8          2HB       ASP   8  -0.694   6.899  11.347
   63   2HB   ASP   8          1HB       ASP   8  -0.535   8.153  10.121
   64    H    PHE   9           H        PHE   9  -1.050   6.913   7.014
   65    HA   PHE   9           HA       PHE   9   1.495   8.281   6.600
   66   1HB   PHE   9          2HB       PHE   9   1.541   5.934   5.594
   67   2HB   PHE   9          1HB       PHE   9   0.346   6.514   4.441
   68    HD1  PHE   9           HD1      PHE   9   1.024   7.497   2.508
   69    HD2  PHE   9           HD2      PHE   9   3.731   7.320   5.761
   70    HE1  PHE   9           HE1      PHE   9   2.762   8.425   1.080
   71    HE2  PHE   9           HE2      PHE   9   5.515   8.241   4.331
   72    HZ   PHE   9           HZ       PHE   9   5.029   8.798   1.973
   73    H    SER  10           H        SER  10   1.188  10.287   5.836
   74    HA   SER  10           HA       SER  10  -1.196  10.818   4.176
   75   1HB   SER  10          2HB       SER  10  -1.792  12.569   5.471
   76   2HB   SER  10          1HB       SER  10  -0.611  12.009   6.648
   77    HG   SER  10           HG       SER  10   0.686  13.423   4.796
   78    H    ALA  11           H        ALA  11  -0.932  11.390   2.294
   79    HA   ALA  11           HA       ALA  11   1.470  11.393   0.920
   80   1HB   ALA  11          1HB       ALA  11  -0.468  12.800  -0.598
   81   2HB   ALA  11          2HB       ALA  11  -1.300  11.561   0.340
   82   3HB   ALA  11          3HB       ALA  11   0.027  11.112  -0.730
   83    H    THR  12           H        THR  12   2.806  12.857   0.143
   84    HA   THR  12           HA       THR  12   2.389  15.650   0.968
   85    HB   THR  12           HB       THR  12   5.096  14.521   0.354
   86    HG1  THR  12           HG1      THR  12   5.084  13.372   2.097
   87   1HG2  THR  12          1HG2      THR  12   5.937  16.314   1.421
   88   2HG2  THR  12          2HG2      THR  12   4.632  16.357   2.607
   89   3HG2  THR  12          3HG2      THR  12   4.379  17.023   0.994
   90    H    ALA  13           H        ALA  13   1.911  13.934  -1.660
   91    HA   ALA  13           HA       ALA  13   2.680  16.141  -3.427
   92   1HB   ALA  13          1HB       ALA  13   3.403  13.249  -3.837
   93   2HB   ALA  13          2HB       ALA  13   4.496  14.627  -3.701
   94   3HB   ALA  13          3HB       ALA  13   3.458  14.460  -5.118
   95    H    ASP  14           H        ASP  14   1.690  16.020  -5.510
   96    HA   ASP  14           HA       ASP  14  -1.074  15.769  -5.321
   97   1HB   ASP  14          2HB       ASP  14   0.584  16.077  -7.831
   98   2HB   ASP  14          1HB       ASP  14  -1.129  16.454  -7.670
   99    H    ASP  15           H        ASP  15   1.233  13.475  -6.683
  100    HA   ASP  15           HA       ASP  15  -0.863  12.129  -8.094
  101   1HB   ASP  15          2HB       ASP  15   1.781  12.377  -8.553
  102   2HB   ASP  15          1HB       ASP  15   1.699  10.733  -7.928
  103    H    GLU  16           H        GLU  16  -1.006  12.006  -5.126
  104    HA   GLU  16           HA       GLU  16  -2.271  10.539  -3.971
  105   1HB   GLU  16          2HB       GLU  16  -1.391   8.854  -6.206
  106   2HB   GLU  16          1HB       GLU  16  -1.841   7.968  -4.770
  107   1HG   GLU  16          2HG       GLU  16  -3.766   8.151  -6.133
  108   2HG   GLU  16          1HG       GLU  16  -3.992   9.216  -4.747
  109    H    LEU  17           H        LEU  17  -1.352   7.884  -2.876
  110    HA   LEU  17           HA       LEU  17   0.405   6.834  -1.844
  111   1HB   LEU  17          2HB       LEU  17   1.948   8.497  -3.140
  112   2HB   LEU  17          1HB       LEU  17   1.983   9.368  -1.620
  113    HG   LEU  17           HG       LEU  17   2.601   6.743  -0.901
  114   1HD1  LEU  17          1HD1      LEU  17   3.584   5.695  -2.582
  115   2HD1  LEU  17          2HD1      LEU  17   4.686   7.051  -2.810
  116   3HD1  LEU  17          3HD1      LEU  17   3.141   7.027  -3.642
  117   1HD2  LEU  17          1HD2      LEU  17   4.954   8.353  -1.426
  118   2HD2  LEU  17          2HD2      LEU  17   4.299   7.764   0.100
  119   3HD2  LEU  17          3HD2      LEU  17   3.687   9.262  -0.600
  120    H    SER  18           H        SER  18  -1.434   6.948  -0.177
  121    HA   SER  18           HA       SER  18  -0.394   7.646   2.227
  122   1HB   SER  18          2HB       SER  18  -1.923   9.347   3.081
  123   2HB   SER  18          1HB       SER  18  -0.910   9.950   1.779
  124    HG   SER  18           HG       SER  18  -3.351  10.330   1.826
  125    H    PHE  19           H        PHE  19  -1.448   6.715   3.895
  126    HA   PHE  19           HA       PHE  19  -4.165   5.807   3.665
  127   1HB   PHE  19          2HB       PHE  19  -3.748   3.417   3.685
  128   2HB   PHE  19          1HB       PHE  19  -3.091   4.163   2.240
  129    HD1  PHE  19           HD1      PHE  19  -1.692   2.333   1.724
  130    HD2  PHE  19           HD2      PHE  19  -1.270   4.281   5.486
  131    HE1  PHE  19           HE1      PHE  19   0.430   1.168   2.115
  132    HE2  PHE  19           HE2      PHE  19   0.854   3.117   5.846
  133    HZ   PHE  19           HZ       PHE  19   1.688   1.550   4.149
  134    H    ARG  20           H        ARG  20  -4.775   4.294   5.600
  135    HA   ARG  20           HA       ARG  20  -3.226   5.245   7.899
  136   1HB   ARG  20          2HB       ARG  20  -6.175   4.924   7.497
  137   2HB   ARG  20          1HB       ARG  20  -5.512   4.767   9.118
  138   1HG   ARG  20          2HG       ARG  20  -5.259   6.965   9.337
  139   2HG   ARG  20          1HG       ARG  20  -4.515   7.124   7.745
  140   1HD   ARG  20          2HD       ARG  20  -7.387   6.560   7.679
  141   2HD   ARG  20          1HD       ARG  20  -6.972   8.089   8.451
  142    HE   ARG  20           HE       ARG  20  -5.546   7.921   6.058
  143   1HH1  ARG  20          1HH1      ARG  20  -8.857   8.184   7.129
  144   2HH1  ARG  20          2HH1      ARG  20  -9.382   9.020   5.707
  145   1HH2  ARG  20          1HH2      ARG  20  -6.233   9.020   4.187
  146   2HH2  ARG  20          2HH2      ARG  20  -7.892   9.494   4.035
  147    H    LYS  21           H        LYS  21  -3.111   3.903   9.741
  148    HA   LYS  21           HA       LYS  21  -2.338   1.273   9.275
  149   1HB   LYS  21          2HB       LYS  21  -2.069   1.046  11.615
  150   2HB   LYS  21          1HB       LYS  21  -1.701   2.718  11.224
  151   1HG   LYS  21          2HG       LYS  21  -4.441   1.956  12.157
  152   2HG   LYS  21          1HG       LYS  21  -3.125   2.176  13.306
  153   1HD   LYS  21          2HD       LYS  21  -3.522   4.357  13.271
  154   2HD   LYS  21          1HD       LYS  21  -3.013   4.386  11.583
  155   1HE   LYS  21          2HE       LYS  21  -5.105   5.236  11.310
  156   2HE   LYS  21          1HE       LYS  21  -5.517   3.523  11.242
  157   1HZ   LYS  21          1HZ       LYS  21  -6.440   5.441  13.043
  158   2HZ   LYS  21          2HZ       LYS  21  -5.503   4.343  13.926
  159   3HZ   LYS  21          3HZ       LYS  21  -6.806   3.790  13.001
  160    H    GLY  22           H        GLY  22  -3.291  -0.651   9.243
  161   1HA   GLY  22          2HA       GLY  22  -4.879  -2.266   9.881
  162   2HA   GLY  22          1HA       GLY  22  -5.987  -0.980  10.318
  163    H    GLN  23           H        GLN  23  -5.315   0.250   7.526
  164    HA   GLN  23           HA       GLN  23  -7.556  -1.018   6.275
  165   1HB   GLN  23          2HB       GLN  23  -7.749   1.042   5.465
  166   2HB   GLN  23          1HB       GLN  23  -6.135   1.454   6.011
  167   1HG   GLN  23          2HG       GLN  23  -6.519  -0.028   3.438
  168   2HG   GLN  23          1HG       GLN  23  -6.746   1.713   3.520
  169   1HE2  GLN  23          1HE2      GLN  23  -4.816   0.534   1.950
  170   2HE2  GLN  23          2HE2      GLN  23  -3.258   0.959   2.562
  171    H    ILE  24           H        ILE  24  -7.614  -1.838   4.022
  172    HA   ILE  24           HA       ILE  24  -5.185  -3.397   3.491
  173    HB   ILE  24           HB       ILE  24  -6.786  -4.784   2.049
  174   1HG1  ILE  24          2HG1      ILE  24  -8.783  -3.315   3.786
  175   2HG1  ILE  24          1HG1      ILE  24  -8.634  -3.153   2.038
  176   1HG2  ILE  24          1HG2      ILE  24  -6.007  -4.910   4.721
  177   2HG2  ILE  24          2HG2      ILE  24  -6.654  -6.225   3.740
  178   3HG2  ILE  24          3HG2      ILE  24  -7.737  -5.254   4.736
  179   1HD1  ILE  24          1HD1      ILE  24  -9.821  -5.322   3.655
  180   2HD1  ILE  24          2HD1      ILE  24  -8.988  -5.786   2.172
  181   3HD1  ILE  24          3HD1      ILE  24 -10.333  -4.646   2.108
  182    H    LEU  25           H        LEU  25  -3.956  -2.765   1.979
  183    HA   LEU  25           HA       LEU  25  -5.016  -1.337  -0.348
  184   1HB   LEU  25          2HB       LEU  25  -2.884  -0.387  -0.658
  185   2HB   LEU  25          1HB       LEU  25  -3.274  -0.253   1.037
  186    HG   LEU  25           HG       LEU  25  -1.468  -2.405  -0.047
  187   1HD1  LEU  25          1HD1      LEU  25  -0.691  -0.093  -0.574
  188   2HD1  LEU  25          2HD1      LEU  25   0.383  -1.010   0.477
  189   3HD1  LEU  25          3HD1      LEU  25  -0.674   0.224   1.158
  190   1HD2  LEU  25          1HD2      LEU  25  -1.033  -2.965   2.121
  191   2HD2  LEU  25          2HD2      LEU  25  -2.640  -2.310   2.380
  192   3HD2  LEU  25          3HD2      LEU  25  -1.228  -1.316   2.704
  193    H    LYS  26           H        LYS  26  -4.844  -2.172  -2.370
  194    HA   LYS  26           HA       LYS  26  -3.717  -4.866  -2.659
  195   1HB   LYS  26          2HB       LYS  26  -5.240  -3.298  -4.710
  196   2HB   LYS  26          1HB       LYS  26  -4.955  -5.024  -4.678
  197   1HG   LYS  26          2HG       LYS  26  -6.456  -3.756  -2.437
  198   2HG   LYS  26          1HG       LYS  26  -7.272  -4.076  -3.971
  199   1HD   LYS  26          2HD       LYS  26  -5.662  -6.174  -2.581
  200   2HD   LYS  26          1HD       LYS  26  -7.355  -5.889  -2.165
  201   1HE   LYS  26          2HE       LYS  26  -7.525  -6.017  -4.854
  202   2HE   LYS  26          1HE       LYS  26  -6.157  -7.094  -4.577
  203   1HZ   LYS  26          1HZ       LYS  26  -8.728  -7.355  -3.135
  204   2HZ   LYS  26          2HZ       LYS  26  -7.463  -8.474  -3.209
  205   3HZ   LYS  26          3HZ       LYS  26  -8.399  -8.165  -4.583
  206    H    ILE  27           H        ILE  27  -2.023  -5.385  -3.880
  207    HA   ILE  27           HA       ILE  27  -0.465  -3.200  -5.014
  208    HB   ILE  27           HB       ILE  27   1.403  -4.607  -5.068
  209   1HG1  ILE  27          2HG1      ILE  27   0.500  -7.175  -4.303
  210   2HG1  ILE  27          1HG1      ILE  27  -0.470  -6.683  -5.678
  211   1HG2  ILE  27          1HG2      ILE  27   0.846  -4.092  -2.780
  212   2HG2  ILE  27          2HG2      ILE  27   1.468  -5.737  -2.853
  213   3HG2  ILE  27          3HG2      ILE  27  -0.266  -5.455  -2.701
  214   1HD1  ILE  27          1HD1      ILE  27   2.136  -7.734  -5.639
  215   2HD1  ILE  27          2HD1      ILE  27   2.260  -6.068  -6.205
  216   3HD1  ILE  27          3HD1      ILE  27   1.197  -7.206  -7.035
  217    H    LEU  28           H        LEU  28  -0.672  -2.633  -7.053
  218    HA   LEU  28           HA       LEU  28  -1.280  -4.641  -9.114
  219   1HB   LEU  28          2HB       LEU  28  -3.397  -3.551  -8.210
  220   2HB   LEU  28          1HB       LEU  28  -2.805  -2.050  -8.894
  221    HG   LEU  28           HG       LEU  28  -2.936  -2.941 -11.128
  222   1HD1  LEU  28          1HD1      LEU  28  -2.644  -5.119 -11.476
  223   2HD1  LEU  28          2HD1      LEU  28  -4.273  -5.389 -10.856
  224   3HD1  LEU  28          3HD1      LEU  28  -2.889  -5.475  -9.767
  225   1HD2  LEU  28          1HD2      LEU  28  -5.526  -3.947 -10.229
  226   2HD2  LEU  28          2HD2      LEU  28  -5.141  -2.588 -11.286
  227   3HD2  LEU  28          3HD2      LEU  28  -5.095  -2.384  -9.534
  228    H    ASN  29           H        ASN  29   1.069  -2.816  -8.351
  229    HA   ASN  29           HA       ASN  29   1.096  -1.003 -10.611
  230   1HB   ASN  29          2HB       ASN  29   3.493  -0.509  -9.872
  231   2HB   ASN  29          1HB       ASN  29   2.234  -0.086  -8.741
  232   1HD2  ASN  29          1HD2      ASN  29   3.685  -3.253  -9.408
  233   2HD2  ASN  29          2HD2      ASN  29   4.260  -3.495  -7.802
  234    H    MET  30           H        MET  30   4.018  -1.338 -11.029
  235    HA   MET  30           HA       MET  30   3.806  -3.530 -12.957
  236   1HB   MET  30          2HB       MET  30   4.236  -1.055 -13.646
  237   2HB   MET  30          1HB       MET  30   5.855  -1.316 -13.019
  238   1HG   MET  30          2HG       MET  30   5.842  -3.375 -14.616
  239   2HG   MET  30          1HG       MET  30   4.533  -2.504 -15.412
  240   1HE   MET  30          1HE       MET  30   8.359  -0.414 -14.350
  241   2HE   MET  30          2HE       MET  30   8.859  -1.950 -15.056
  242   3HE   MET  30          3HE       MET  30   7.786  -1.928 -13.661
  243    H    GLU  31           H        GLU  31   6.877  -3.017 -13.109
  244    HA   GLU  31           HA       GLU  31   7.634  -4.695 -10.814
  245   1HB   GLU  31          2HB       GLU  31   8.394  -4.807 -13.672
  246   2HB   GLU  31          1HB       GLU  31   9.648  -5.164 -12.494
  247   1HG   GLU  31          2HG       GLU  31   8.861  -7.248 -12.693
  248   2HG   GLU  31          1HG       GLU  31   7.659  -6.691 -11.529
  249    H    ASP  32           H        ASP  32   7.611  -1.946 -10.360
  250    HA   ASP  32           HA       ASP  32  10.059  -0.556 -11.066
  251   1HB   ASP  32          2HB       ASP  32   7.625   0.044  -9.853
  252   2HB   ASP  32          1HB       ASP  32   8.807   0.171  -8.554
  253    H    ASP  33           H        ASP  33   8.848  -2.226  -8.169
  254    HA   ASP  33           HA       ASP  33   9.832  -3.129  -6.364
  255   1HB   ASP  33          2HB       ASP  33  11.809  -3.524  -8.506
  256   2HB   ASP  33          1HB       ASP  33  12.437  -3.675  -6.866
  257    H    SER  34           H        SER  34   9.593  -0.725  -5.598
  258    HA   SER  34           HA       SER  34  12.115  -0.051  -4.382
  259   1HB   SER  34          2HB       SER  34  12.159   2.303  -5.252
  260   2HB   SER  34          1HB       SER  34  12.434   1.077  -6.488
  261    HG   SER  34           HG       SER  34  10.864   2.808  -6.995
  262    H    ASN  35           H        ASN  35  11.251   2.740  -3.958
  263    HA   ASN  35           HA       ASN  35   9.882   2.238  -1.480
  264   1HB   ASN  35          2HB       ASN  35  11.638   4.227  -2.443
  265   2HB   ASN  35          1HB       ASN  35  10.158   5.043  -1.948
  266   1HD2  ASN  35          1HD2      ASN  35  12.485   2.612  -0.850
  267   2HD2  ASN  35          2HD2      ASN  35  12.413   3.047   0.820
  268    H    TRP  36           H        TRP  36   8.872   3.571  -4.592
  269    HA   TRP  36           HA       TRP  36   6.308   4.200  -3.326
  270   1HB   TRP  36          2HB       TRP  36   7.375   5.154  -6.002
  271   2HB   TRP  36          1HB       TRP  36   5.848   5.639  -5.269
  272    HD1  TRP  36           HD1      TRP  36   6.430   6.625  -2.514
  273    HE1  TRP  36           HE1      TRP  36   8.078   8.528  -1.992
  274    HE3  TRP  36           HE3      TRP  36   9.271   6.422  -6.763
  275    HZ2  TRP  36           HZ2      TRP  36  10.296   9.773  -3.213
  276    HZ3  TRP  36           HZ3      TRP  36  11.139   8.006  -7.006
  277    HH2  TRP  36           HH2      TRP  36  11.638   9.646  -5.267
  278    H    TYR  37           H        TYR  37   4.549   2.904  -3.919
  279    HA   TYR  37           HA       TYR  37   4.807   1.312  -6.374
  280   1HB   TYR  37          2HB       TYR  37   4.774  -0.673  -5.320
  281   2HB   TYR  37          1HB       TYR  37   5.250   0.235  -3.895
  282    HD1  TYR  37           HD1      TYR  37   3.012  -2.087  -5.151
  283    HD2  TYR  37           HD2      TYR  37   3.170   1.250  -2.537
  284    HE1  TYR  37           HE1      TYR  37   1.018  -2.884  -4.016
  285    HE2  TYR  37           HE2      TYR  37   1.152   0.429  -1.380
  286    HH   TYR  37           HH       TYR  37  -0.656  -2.336  -2.558
  287    H    ARG  38           H        ARG  38   2.687   0.448  -7.162
  288    HA   ARG  38           HA       ARG  38   0.609   2.409  -6.550
  289   1HB   ARG  38          2HB       ARG  38   0.567   0.349  -8.769
  290   2HB   ARG  38          1HB       ARG  38  -0.560   1.670  -8.553
  291   1HG   ARG  38          2HG       ARG  38   1.717   3.056  -8.719
  292   2HG   ARG  38          1HG       ARG  38   2.152   1.657  -9.689
  293   1HD   ARG  38          2HD       ARG  38  -0.396   3.211 -10.106
  294   2HD   ARG  38          1HD       ARG  38   1.107   3.595 -10.941
  295    HE   ARG  38           HE       ARG  38   0.907   1.640 -12.183
  296   1HH1  ARG  38          1HH1      ARG  38  -1.708   1.910  -9.868
  297   2HH1  ARG  38          2HH1      ARG  38  -2.627   0.630 -10.579
  298   1HH2  ARG  38          1HH2      ARG  38  -0.320  -0.027 -13.119
  299   2HH2  ARG  38          2HH2      ARG  38  -1.847  -0.462 -12.426
  300    H    ALA  39           H        ALA  39  -1.197   2.072  -5.627
  301    HA   ALA  39           HA       ALA  39  -2.114  -0.663  -5.156
  302   1HB   ALA  39          1HB       ALA  39  -1.949   1.359  -2.943
  303   2HB   ALA  39          2HB       ALA  39  -0.712   0.146  -3.246
  304   3HB   ALA  39          3HB       ALA  39  -2.346  -0.354  -2.817
  305    H    GLU  40           H        GLU  40  -4.331  -0.766  -4.289
  306    HA   GLU  40           HA       GLU  40  -5.935   1.592  -5.023
  307   1HB   GLU  40          2HB       GLU  40  -7.704   0.047  -5.839
  308   2HB   GLU  40          1HB       GLU  40  -6.236  -0.026  -6.807
  309   1HG   GLU  40          2HG       GLU  40  -6.041  -2.201  -6.431
  310   2HG   GLU  40          1HG       GLU  40  -6.091  -1.928  -4.692
  311    H    LEU  41           H        LEU  41  -7.759   1.967  -3.775
  312    HA   LEU  41           HA       LEU  41  -8.571   0.083  -1.756
  313   1HB   LEU  41          2HB       LEU  41  -8.175   1.402   0.164
  314   2HB   LEU  41          1HB       LEU  41  -6.662   1.352  -0.716
  315    HG   LEU  41           HG       LEU  41  -8.565   3.670  -0.939
  316   1HD1  LEU  41          1HD1      LEU  41  -7.847   3.209   1.441
  317   2HD1  LEU  41          2HD1      LEU  41  -7.408   4.794   0.800
  318   3HD1  LEU  41          3HD1      LEU  41  -6.194   3.519   0.911
  319   1HD2  LEU  41          1HD2      LEU  41  -6.201   2.954  -2.285
  320   2HD2  LEU  41          2HD2      LEU  41  -5.765   4.257  -1.180
  321   3HD2  LEU  41          3HD2      LEU  41  -7.058   4.494  -2.354
  322    H    ASP  42           H        ASP  42 -10.660   0.254  -1.328
  323    HA   ASP  42           HA       ASP  42 -12.833   0.794  -1.669
  324   1HB   ASP  42          2HB       ASP  42 -11.557   3.101  -0.560
  325   2HB   ASP  42          1HB       ASP  42 -12.797   3.630  -1.694
  326    H    GLY  43           H        GLY  43 -11.154   0.530  -4.039
  327   1HA   GLY  43          2HA       GLY  43 -11.714   0.560  -6.304
  328   2HA   GLY  43          1HA       GLY  43 -13.023   1.670  -5.937
  329    H    LYS  44           H        LYS  44 -10.068   2.668  -4.623
  330    HA   LYS  44           HA       LYS  44  -9.658   4.541  -6.866
  331   1HB   LYS  44          2HB       LYS  44 -10.317   5.906  -5.091
  332   2HB   LYS  44          1HB       LYS  44  -9.581   4.862  -3.884
  333   1HG   LYS  44          2HG       LYS  44  -7.458   5.754  -4.227
  334   2HG   LYS  44          1HG       LYS  44  -7.886   6.410  -5.808
  335   1HD   LYS  44          2HD       LYS  44  -8.520   8.340  -4.904
  336   2HD   LYS  44          1HD       LYS  44  -9.592   7.516  -3.771
  337   1HE   LYS  44          2HE       LYS  44  -6.692   7.410  -3.195
  338   2HE   LYS  44          1HE       LYS  44  -7.487   8.973  -3.007
  339   1HZ   LYS  44          1HZ       LYS  44  -8.025   8.220  -0.985
  340   2HZ   LYS  44          2HZ       LYS  44  -7.701   6.606  -1.372
  341   3HZ   LYS  44          3HZ       LYS  44  -9.199   7.286  -1.766
  342    H    GLU  45           H        GLU  45  -7.572   4.782  -7.645
  343    HA   GLU  45           HA       GLU  45  -5.584   2.971  -6.455
  344   1HB   GLU  45          2HB       GLU  45  -5.413   4.009  -9.271
  345   2HB   GLU  45          1HB       GLU  45  -4.613   2.611  -8.569
  346   1HG   GLU  45          2HG       GLU  45  -6.234   1.313  -9.334
  347   2HG   GLU  45          1HG       GLU  45  -7.395   2.188  -8.335
  348    H    GLY  46           H        GLY  46  -3.596   3.628  -5.975
  349   1HA   GLY  46          2HA       GLY  46  -2.457   6.090  -6.834
  350   2HA   GLY  46          1HA       GLY  46  -3.126   6.241  -5.216
  351    H    LEU  47           H        LEU  47  -0.380   6.415  -6.106
  352    HA   LEU  47           HA       LEU  47   1.137   4.137  -5.404
  353   1HB   LEU  47          2HB       LEU  47   1.656   7.054  -5.668
  354   2HB   LEU  47          1HB       LEU  47   2.815   6.091  -4.785
  355    HG   LEU  47           HG       LEU  47   3.382   4.815  -6.668
  356   1HD1  LEU  47          1HD1      LEU  47   1.450   4.212  -7.722
  357   2HD1  LEU  47          2HD1      LEU  47   2.096   5.389  -8.866
  358   3HD1  LEU  47          3HD1      LEU  47   0.813   5.853  -7.747
  359   1HD2  LEU  47          1HD2      LEU  47   2.967   7.502  -7.914
  360   2HD2  LEU  47          2HD2      LEU  47   4.348   6.413  -8.038
  361   3HD2  LEU  47          3HD2      LEU  47   4.066   7.310  -6.547
  362    H    ILE  48           H        ILE  48   2.394   3.781  -3.508
  363    HA   ILE  48           HA       ILE  48   1.706   5.162  -1.061
  364    HB   ILE  48           HB       ILE  48   0.547   2.588  -1.795
  365   1HG1  ILE  48          2HG1      ILE  48  -0.772   4.538  -1.141
  366   2HG1  ILE  48          1HG1      ILE  48  -1.058   3.199  -0.035
  367   1HG2  ILE  48          1HG2      ILE  48   0.714   1.649   0.502
  368   2HG2  ILE  48          2HG2      ILE  48   2.009   2.798   0.818
  369   3HG2  ILE  48          3HG2      ILE  48   2.196   1.584  -0.443
  370   1HD1  ILE  48          1HD1      ILE  48   0.187   4.232   1.675
  371   2HD1  ILE  48          2HD1      ILE  48  -0.824   5.491   0.977
  372   3HD1  ILE  48          3HD1      ILE  48   0.882   5.406   0.562
  373    HA   PRO  49           HA       PRO  49   5.906   3.920  -0.263
  374   1HB   PRO  49          2HB       PRO  49   6.162   4.222   2.407
  375   2HB   PRO  49          1HB       PRO  49   5.945   5.602   1.322
  376   1HG   PRO  49          2HG       PRO  49   3.942   4.219   3.053
  377   2HG   PRO  49          1HG       PRO  49   4.140   5.948   2.739
  378   1HD   PRO  49          2HD       PRO  49   2.267   4.346   1.524
  379   2HD   PRO  49          1HD       PRO  49   2.879   5.857   0.833
  380    H    SER  50           H        SER  50   6.762   2.029  -0.380
  381    HA   SER  50           HA       SER  50   5.618  -0.387   0.220
  382   1HB   SER  50          2HB       SER  50   8.264   0.538  -0.616
  383   2HB   SER  50          1HB       SER  50   8.288  -1.003   0.240
  384    HG   SER  50           HG       SER  50   6.363  -0.626  -1.757
  385    H    ASN  51           H        ASN  51   7.923   1.303   2.336
  386    HA   ASN  51           HA       ASN  51   8.231  -0.846   4.180
  387   1HB   ASN  51          2HB       ASN  51   9.100   0.997   5.694
  388   2HB   ASN  51          1HB       ASN  51   9.917   0.823   4.144
  389   1HD2  ASN  51          1HD2      ASN  51   8.579   2.974   6.255
  390   2HD2  ASN  51          2HD2      ASN  51   8.342   4.312   5.188
  391    H    TYR  52           H        TYR  52   5.515   1.104   3.634
  392    HA   TYR  52           HA       TYR  52   4.681   0.977   6.451
  393   1HB   TYR  52          2HB       TYR  52   3.864   2.585   4.096
  394   2HB   TYR  52          1HB       TYR  52   2.665   2.257   5.339
  395    HD1  TYR  52           HD1      TYR  52   5.521   4.257   4.443
  396    HD2  TYR  52           HD2      TYR  52   3.148   2.913   7.702
  397    HE1  TYR  52           HE1      TYR  52   6.407   6.081   5.838
  398    HE2  TYR  52           HE2      TYR  52   4.031   4.740   9.095
  399    HH   TYR  52           HH       TYR  52   5.977   6.185   9.211
  400    H    ILE  53           H        ILE  53   4.561  -1.238   4.083
  401    HA   ILE  53           HA       ILE  53   1.795  -2.030   4.739
  402    HB   ILE  53           HB       ILE  53   1.682  -3.264   2.695
  403   1HG1  ILE  53          2HG1      ILE  53   3.809  -2.619   1.116
  404   2HG1  ILE  53          1HG1      ILE  53   4.598  -2.819   2.678
  405   1HG2  ILE  53          1HG2      ILE  53   2.413  -1.165   1.164
  406   2HG2  ILE  53          2HG2      ILE  53   2.345  -0.414   2.762
  407   3HG2  ILE  53          3HG2      ILE  53   0.936  -1.253   2.121
  408   1HD1  ILE  53          1HD1      ILE  53   4.732  -4.947   1.859
  409   2HD1  ILE  53          2HD1      ILE  53   3.206  -4.828   0.983
  410   3HD1  ILE  53          3HD1      ILE  53   3.204  -5.045   2.733
  411    H    GLU  54           H        GLU  54   1.614  -3.617   6.117
  412    HA   GLU  54           HA       GLU  54   3.826  -5.401   6.665
  413   1HB   GLU  54          2HB       GLU  54   1.393  -4.556   8.029
  414   2HB   GLU  54          1HB       GLU  54   1.678  -6.285   8.172
  415   1HG   GLU  54          2HG       GLU  54   3.553  -4.070   8.958
  416   2HG   GLU  54          1HG       GLU  54   2.670  -5.153  10.034
  417    H    MET  55           H        MET  55   3.605  -7.707   6.740
  418    HA   MET  55           HA       MET  55   1.472  -8.933   5.185
  419   1HB   MET  55          2HB       MET  55   3.577  -8.205   3.742
  420   2HB   MET  55          1HB       MET  55   4.250  -9.689   4.399
  421   1HG   MET  55          2HG       MET  55   1.550  -9.982   3.319
  422   2HG   MET  55          1HG       MET  55   2.758  -9.504   2.129
  423   1HE   MET  55          1HE       MET  55   3.612 -11.301   0.679
  424   2HE   MET  55          2HE       MET  55   4.627 -12.588   1.330
  425   3HE   MET  55          3HE       MET  55   5.007 -10.902   1.681
  426    H    LYS  56           H        LYS  56   4.571  -9.446   6.844
  427    HA   LYS  56           HA       LYS  56   5.270 -10.992   8.350
  428   1HB   LYS  56          2HB       LYS  56   2.295 -11.295   8.741
  429   2HB   LYS  56          1HB       LYS  56   3.482 -12.149   9.716
  430   1HG   LYS  56          2HG       LYS  56   3.053  -9.180   9.541
  431   2HG   LYS  56          1HG       LYS  56   2.765 -10.235  10.924
  432   1HD   LYS  56          2HD       LYS  56   5.476  -9.767   9.689
  433   2HD   LYS  56          1HD       LYS  56   4.852  -8.885  11.082
  434   1HE   LYS  56          2HE       LYS  56   5.247 -10.578  12.481
  435   2HE   LYS  56          1HE       LYS  56   4.640 -11.783  11.345
  436   1HZ   LYS  56          1HZ       LYS  56   7.340 -10.548  11.324
  437   2HZ   LYS  56          2HZ       LYS  56   6.767 -11.634  10.161
  438   3HZ   LYS  56          3HZ       LYS  56   6.967 -12.139  11.763
  439    H    ASN  57           H        ASN  57   6.273 -12.320   6.858
  440    HA   ASN  57           HA       ASN  57   4.895 -14.870   6.389
  441   1HB   ASN  57          2HB       ASN  57   6.029 -15.010   4.160
  442   2HB   ASN  57          1HB       ASN  57   4.821 -13.733   4.253
  443   1HD2  ASN  57          1HD2      ASN  57   5.766 -11.565   4.979
  444   2HD2  ASN  57          2HD2      ASN  57   7.249 -11.102   4.225
  445    H    HIS  58           H        HIS  58   6.018 -15.734   8.148
  446    HA   HIS  58           HA       HIS  58   7.659 -16.861   9.182
  447   1HB   HIS  58          2HB       HIS  58   8.875 -16.722   6.441
  448   2HB   HIS  58          1HB       HIS  58   9.773 -17.395   7.797
  449    HD1  HIS  58           HD1      HIS  58   7.965 -19.196   9.195
  450    HD2  HIS  58           HD2      HIS  58   7.758 -18.752   5.070
  451    HE1  HIS  58           HE1      HIS  58   6.811 -21.265   8.355
  452    HE2  HIS  58           HE2      HIS  58   6.594 -20.919   5.869
  453    H    ASP  59           H        ASP  59   7.447 -14.243   9.760
  454    HA   ASP  59           HA       ASP  59   8.518 -12.430  10.599
  455   1HB   ASP  59          2HB       ASP  59   9.758 -14.762  11.565
  456   2HB   ASP  59          1HB       ASP  59  11.063 -13.636  11.201
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1  -5.558 -10.040  -3.722
    2   2H    MET   1          2H        MET   1  -4.828 -11.506  -3.216
    3   3H    MET   1          3H        MET   1  -4.582 -10.933  -4.809
    4    HA   MET   1           HA       MET   1  -2.872 -10.598  -2.855
    5   1HB   MET   1          2HB       MET   1  -2.011  -8.710  -4.234
    6   2HB   MET   1          1HB       MET   1  -2.413 -10.135  -5.168
    7   1HG   MET   1          2HG       MET   1  -4.468  -8.006  -4.871
    8   2HG   MET   1          1HG       MET   1  -3.107  -7.722  -5.952
    9   1HE   MET   1          1HE       MET   1  -6.821  -8.783  -6.817
   10   2HE   MET   1          2HE       MET   1  -6.250  -9.028  -5.168
   11   3HE   MET   1          3HE       MET   1  -6.630 -10.418  -6.184
   12    H    GLU   2           H        GLU   2  -2.429  -9.256  -1.130
   13    HA   GLU   2           HA       GLU   2  -3.472  -6.647  -0.910
   14   1HB   GLU   2          2HB       GLU   2  -4.997  -7.067   1.060
   15   2HB   GLU   2          1HB       GLU   2  -5.605  -7.595  -0.502
   16   1HG   GLU   2          2HG       GLU   2  -4.601  -9.890   0.166
   17   2HG   GLU   2          1HG       GLU   2  -4.630  -9.230   1.800
   18    H    ALA   3           H        ALA   3  -2.860  -5.522   0.910
   19    HA   ALA   3           HA       ALA   3  -1.115  -6.857   2.884
   20   1HB   ALA   3          1HB       ALA   3  -0.351  -4.811   0.910
   21   2HB   ALA   3          2HB       ALA   3   0.639  -6.000   1.757
   22   3HB   ALA   3          3HB       ALA   3   0.173  -4.504   2.565
   23    H    ILE   4           H        ILE   4  -0.403  -5.077   4.558
   24    HA   ILE   4           HA       ILE   4  -2.750  -3.438   5.211
   25    HB   ILE   4           HB       ILE   4  -1.406  -4.985   7.394
   26   1HG1  ILE   4          2HG1      ILE   4  -3.867  -5.966   5.941
   27   2HG1  ILE   4          1HG1      ILE   4  -2.250  -6.556   5.568
   28   1HG2  ILE   4          1HG2      ILE   4  -4.256  -4.055   7.176
   29   2HG2  ILE   4          2HG2      ILE   4  -2.962  -3.020   7.779
   30   3HG2  ILE   4          3HG2      ILE   4  -3.361  -4.516   8.624
   31   1HD1  ILE   4          1HD1      ILE   4  -2.769  -8.135   7.069
   32   2HD1  ILE   4          2HD1      ILE   4  -3.999  -7.141   7.849
   33   3HD1  ILE   4          3HD1      ILE   4  -2.295  -6.905   8.240
   34    H    ALA   5           H        ALA   5  -2.398  -1.584   6.323
   35    HA   ALA   5           HA       ALA   5   0.204  -0.417   6.208
   36   1HB   ALA   5          1HB       ALA   5  -0.836   1.555   7.057
   37   2HB   ALA   5          2HB       ALA   5  -2.239   0.641   7.609
   38   3HB   ALA   5          3HB       ALA   5  -1.925   0.818   5.883
   39    H    LYS   6           H        LYS   6   1.765  -0.372   7.618
   40    HA   LYS   6           HA       LYS   6   1.330  -1.401  10.324
   41   1HB   LYS   6          2HB       LYS   6   3.291  -2.120   8.838
   42   2HB   LYS   6          1HB       LYS   6   3.970  -0.531   9.162
   43   1HG   LYS   6          2HG       LYS   6   4.891  -2.256  10.634
   44   2HG   LYS   6          1HG       LYS   6   4.038  -1.001  11.532
   45   1HD   LYS   6          2HD       LYS   6   3.487  -3.184  12.430
   46   2HD   LYS   6          1HD       LYS   6   2.063  -2.474  11.667
   47   1HE   LYS   6          2HE       LYS   6   3.449  -3.942   9.684
   48   2HE   LYS   6          1HE       LYS   6   3.342  -4.964  11.118
   49   1HZ   LYS   6          1HZ       LYS   6   0.969  -3.534  10.103
   50   2HZ   LYS   6          2HZ       LYS   6   1.040  -4.915  11.077
   51   3HZ   LYS   6          3HZ       LYS   6   1.433  -5.018   9.436
   52    H    HIS   7           H        HIS   7   1.712   1.530   8.641
   53    HA   HIS   7           HA       HIS   7   1.388   3.051  11.087
   54   1HB   HIS   7          2HB       HIS   7   3.840   3.190   9.380
   55   2HB   HIS   7          1HB       HIS   7   3.226   4.680  10.088
   56    HD1  HIS   7           HD1      HIS   7   5.848   2.700  10.772
   57    HD2  HIS   7           HD2      HIS   7   2.522   3.629  13.083
   58    HE1  HIS   7           HE1      HIS   7   6.546   2.285  13.151
   59    HE2  HIS   7           HE2      HIS   7   4.487   2.762  14.524
   60    H    ASP   8           H        ASP   8   1.285   5.452  10.468
   61    HA   ASP   8           HA       ASP   8  -0.836   5.617   8.522
   62   1HB   ASP   8          2HB       ASP   8  -1.074   7.964   9.387
   63   2HB   ASP   8          1HB       ASP   8  -1.220   6.708  10.612
   64    H    PHE   9           H        PHE   9  -0.937   6.879   6.658
   65    HA   PHE   9           HA       PHE   9   1.468   8.366   5.961
   66   1HB   PHE   9          2HB       PHE   9   1.494   5.987   4.946
   67   2HB   PHE   9          1HB       PHE   9   0.221   6.573   3.880
   68    HD1  PHE   9           HD1      PHE   9   0.727   8.680   2.508
   69    HD2  PHE   9           HD2      PHE   9   3.722   6.334   4.412
   70    HE1  PHE   9           HE1      PHE   9   2.425   9.632   1.002
   71    HE2  PHE   9           HE2      PHE   9   5.424   7.289   2.914
   72    HZ   PHE   9           HZ       PHE   9   4.777   8.933   1.204
   73    H    SER  10           H        SER  10   0.889  10.374   5.338
   74    HA   SER  10           HA       SER  10  -1.709  10.696   3.959
   75   1HB   SER  10          2HB       SER  10  -1.652  13.086   4.807
   76   2HB   SER  10          1HB       SER  10  -1.907  11.867   6.056
   77    HG   SER  10           HG       SER  10  -0.340  13.131   6.871
   78    H    ALA  11           H        ALA  11  -1.651  11.049   2.035
   79    HA   ALA  11           HA       ALA  11   0.584  11.528   0.465
   80   1HB   ALA  11          1HB       ALA  11  -0.951  10.591  -0.860
   81   2HB   ALA  11          2HB       ALA  11  -1.571  12.222  -1.104
   82   3HB   ALA  11          3HB       ALA  11  -2.286  11.181   0.129
   83    H    THR  12           H        THR  12   1.301  13.272  -0.633
   84    HA   THR  12           HA       THR  12   0.267  15.922   0.186
   85    HB   THR  12           HB       THR  12   2.668  16.672  -0.461
   86    HG1  THR  12           HG1      THR  12   3.573  14.912  -1.325
   87   1HG2  THR  12          1HG2      THR  12   2.973  16.882   1.710
   88   2HG2  THR  12          2HG2      THR  12   3.212  15.143   1.887
   89   3HG2  THR  12          3HG2      THR  12   1.587  15.824   1.976
   90    H    ALA  13           H        ALA  13   1.775  14.246  -2.535
   91    HA   ALA  13           HA       ALA  13   1.046  16.354  -4.379
   92   1HB   ALA  13          1HB       ALA  13   2.781  14.046  -4.360
   93   2HB   ALA  13          2HB       ALA  13   2.840  15.487  -5.374
   94   3HB   ALA  13          3HB       ALA  13   1.831  14.118  -5.843
   95    H    ASP  14           H        ASP  14  -0.188  15.913  -6.311
   96    HA   ASP  14           HA       ASP  14  -2.756  14.879  -5.745
   97   1HB   ASP  14          2HB       ASP  14  -3.199  15.347  -8.175
   98   2HB   ASP  14          1HB       ASP  14  -2.583  16.717  -7.258
   99    H    ASP  15           H        ASP  15   0.032  13.423  -7.211
  100    HA   ASP  15           HA       ASP  15  -1.601  11.285  -8.330
  101   1HB   ASP  15          2HB       ASP  15   0.433  12.556  -9.456
  102   2HB   ASP  15          1HB       ASP  15   1.366  11.317  -8.621
  103    H    GLU  16           H        GLU  16  -0.442  11.808  -5.431
  104    HA   GLU  16           HA       GLU  16   0.617   9.126  -4.862
  105   1HB   GLU  16          2HB       GLU  16   1.583  11.505  -4.102
  106   2HB   GLU  16          1HB       GLU  16   0.477  11.208  -2.771
  107   1HG   GLU  16          2HG       GLU  16   1.854   9.745  -1.836
  108   2HG   GLU  16          1HG       GLU  16   2.089   8.883  -3.346
  109    H    LEU  17           H        LEU  17  -0.006   8.101  -2.831
  110    HA   LEU  17           HA       LEU  17  -2.868   8.542  -2.296
  111   1HB   LEU  17          2HB       LEU  17  -1.744   6.331  -3.427
  112   2HB   LEU  17          1HB       LEU  17  -1.708   5.882  -1.744
  113    HG   LEU  17           HG       LEU  17  -3.761   5.369  -3.448
  114   1HD1  LEU  17          1HD1      LEU  17  -3.832   4.110  -1.588
  115   2HD1  LEU  17          2HD1      LEU  17  -5.046   5.288  -1.111
  116   3HD1  LEU  17          3HD1      LEU  17  -3.401   5.450  -0.527
  117   1HD2  LEU  17          1HD2      LEU  17  -4.182   8.006  -3.145
  118   2HD2  LEU  17          2HD2      LEU  17  -5.075   7.400  -1.752
  119   3HD2  LEU  17          3HD2      LEU  17  -5.477   6.837  -3.374
  120    H    SER  18           H        SER  18  -3.497   7.306  -0.102
  121    HA   SER  18           HA       SER  18  -1.476   7.624   1.953
  122   1HB   SER  18          2HB       SER  18  -2.952   9.101   3.286
  123   2HB   SER  18          1HB       SER  18  -2.395   9.872   1.807
  124    HG   SER  18           HG       SER  18  -4.554   8.857   1.020
  125    H    PHE  19           H        PHE  19  -2.189   6.666   3.964
  126    HA   PHE  19           HA       PHE  19  -4.735   5.333   4.090
  127   1HB   PHE  19          2HB       PHE  19  -3.795   3.034   4.103
  128   2HB   PHE  19          1HB       PHE  19  -3.598   3.845   2.550
  129    HD1  PHE  19           HD1      PHE  19  -1.855   2.785   5.616
  130    HD2  PHE  19           HD2      PHE  19  -1.438   4.331   1.676
  131    HE1  PHE  19           HE1      PHE  19   0.571   2.387   5.719
  132    HE2  PHE  19           HE2      PHE  19   0.985   3.928   1.794
  133    HZ   PHE  19           HZ       PHE  19   1.987   2.963   3.796
  134    H    ARG  20           H        ARG  20  -5.059   4.079   6.080
  135    HA   ARG  20           HA       ARG  20  -3.308   5.094   8.201
  136   1HB   ARG  20          2HB       ARG  20  -6.178   4.166   8.411
  137   2HB   ARG  20          1HB       ARG  20  -5.218   4.868   9.702
  138   1HG   ARG  20          2HG       ARG  20  -5.015   6.921   8.194
  139   2HG   ARG  20          1HG       ARG  20  -6.318   6.198   7.252
  140   1HD   ARG  20          2HD       ARG  20  -6.986   7.880   9.034
  141   2HD   ARG  20          1HD       ARG  20  -7.836   6.337   9.041
  142    HE   ARG  20           HE       ARG  20  -6.138   5.729  10.849
  143   1HH1  ARG  20          1HH1      ARG  20  -7.372   8.964  10.367
  144   2HH1  ARG  20          2HH1      ARG  20  -7.139   9.424  12.017
  145   1HH2  ARG  20          1HH2      ARG  20  -5.836   6.339  13.009
  146   2HH2  ARG  20          2HH2      ARG  20  -6.268   7.938  13.517
  147    H    LYS  21           H        LYS  21  -2.856   3.765  10.009
  148    HA   LYS  21           HA       LYS  21  -1.908   1.228   9.469
  149   1HB   LYS  21          2HB       LYS  21  -1.594   2.872  11.516
  150   2HB   LYS  21          1HB       LYS  21  -2.793   1.815  12.245
  151   1HG   LYS  21          2HG       LYS  21  -0.266   0.799  10.995
  152   2HG   LYS  21          1HG       LYS  21  -0.388   1.244  12.696
  153   1HD   LYS  21          2HD       LYS  21  -2.509  -0.547  11.779
  154   2HD   LYS  21          1HD       LYS  21  -0.894  -1.238  11.661
  155   1HE   LYS  21          2HE       LYS  21  -1.711  -1.815  13.800
  156   2HE   LYS  21          1HE       LYS  21  -0.548  -0.514  14.052
  157   1HZ   LYS  21          1HZ       LYS  21  -2.256   0.246  15.315
  158   2HZ   LYS  21          2HZ       LYS  21  -3.451  -0.502  14.382
  159   3HZ   LYS  21          3HZ       LYS  21  -2.727   0.926  13.841
  160    H    GLY  22           H        GLY  22  -2.673  -0.767   9.438
  161   1HA   GLY  22          2HA       GLY  22  -4.068  -2.550  10.023
  162   2HA   GLY  22          1HA       GLY  22  -5.230  -1.410  10.663
  163    H    GLN  23           H        GLN  23  -4.645  -0.074   7.768
  164    HA   GLN  23           HA       GLN  23  -7.041  -1.200   6.668
  165   1HB   GLN  23          2HB       GLN  23  -5.139   0.850   5.546
  166   2HB   GLN  23          1HB       GLN  23  -6.669   0.391   4.810
  167   1HG   GLN  23          2HG       GLN  23  -6.452   1.496   7.595
  168   2HG   GLN  23          1HG       GLN  23  -6.685   2.505   6.168
  169   1HE2  GLN  23          1HE2      GLN  23  -8.633   2.405   5.050
  170   2HE2  GLN  23          2HE2      GLN  23 -10.058   1.722   5.749
  171    H    ILE  24           H        ILE  24  -7.268  -1.980   4.438
  172    HA   ILE  24           HA       ILE  24  -4.955  -3.624   3.708
  173    HB   ILE  24           HB       ILE  24  -7.865  -3.957   2.970
  174   1HG1  ILE  24          2HG1      ILE  24  -6.545  -6.078   4.483
  175   2HG1  ILE  24          1HG1      ILE  24  -6.551  -4.543   5.344
  176   1HG2  ILE  24          1HG2      ILE  24  -7.348  -5.864   1.764
  177   2HG2  ILE  24          2HG2      ILE  24  -5.768  -6.043   2.527
  178   3HG2  ILE  24          3HG2      ILE  24  -6.027  -4.784   1.321
  179   1HD1  ILE  24          1HD1      ILE  24  -9.134  -4.983   4.236
  180   2HD1  ILE  24          2HD1      ILE  24  -8.652  -4.859   5.927
  181   3HD1  ILE  24          3HD1      ILE  24  -8.626  -6.423   5.114
  182    H    LEU  25           H        LEU  25  -3.700  -2.730   2.223
  183    HA   LEU  25           HA       LEU  25  -4.880  -1.128   0.071
  184   1HB   LEU  25          2HB       LEU  25  -2.034  -1.457   1.000
  185   2HB   LEU  25          1HB       LEU  25  -2.511  -0.479  -0.373
  186    HG   LEU  25           HG       LEU  25  -4.125   0.524   1.596
  187   1HD1  LEU  25          1HD1      LEU  25  -3.354  -0.011   3.607
  188   2HD1  LEU  25          2HD1      LEU  25  -1.862   0.846   3.217
  189   3HD1  LEU  25          3HD1      LEU  25  -1.993  -0.885   2.906
  190   1HD2  LEU  25          1HD2      LEU  25  -2.940   2.466   1.307
  191   2HD2  LEU  25          2HD2      LEU  25  -2.450   1.565  -0.128
  192   3HD2  LEU  25          3HD2      LEU  25  -1.386   1.638   1.278
  193    H    LYS  26           H        LYS  26  -4.828  -1.770  -2.058
  194    HA   LYS  26           HA       LYS  26  -3.753  -4.437  -2.601
  195   1HB   LYS  26          2HB       LYS  26  -6.164  -3.850  -3.094
  196   2HB   LYS  26          1HB       LYS  26  -5.563  -2.814  -4.382
  197   1HG   LYS  26          2HG       LYS  26  -4.452  -4.815  -5.373
  198   2HG   LYS  26          1HG       LYS  26  -5.279  -5.800  -4.162
  199   1HD   LYS  26          2HD       LYS  26  -6.945  -5.942  -5.651
  200   2HD   LYS  26          1HD       LYS  26  -7.315  -4.275  -5.208
  201   1HE   LYS  26          2HE       LYS  26  -5.313  -3.961  -7.048
  202   2HE   LYS  26          1HE       LYS  26  -6.182  -5.360  -7.676
  203   1HZ   LYS  26          1HZ       LYS  26  -7.801  -3.100  -6.809
  204   2HZ   LYS  26          2HZ       LYS  26  -8.006  -4.135  -8.132
  205   3HZ   LYS  26          3HZ       LYS  26  -6.885  -2.871  -8.213
  206    H    ILE  27           H        ILE  27  -2.102  -4.797  -3.852
  207    HA   ILE  27           HA       ILE  27  -0.643  -2.627  -5.091
  208    HB   ILE  27           HB       ILE  27   1.077  -4.273  -5.593
  209   1HG1  ILE  27          2HG1      ILE  27  -0.494  -6.180  -6.043
  210   2HG1  ILE  27          1HG1      ILE  27   0.892  -6.598  -5.048
  211   1HG2  ILE  27          1HG2      ILE  27   1.881  -4.122  -3.529
  212   2HG2  ILE  27          2HG2      ILE  27   0.597  -5.130  -2.865
  213   3HG2  ILE  27          3HG2      ILE  27   0.330  -3.411  -3.095
  214   1HD1  ILE  27          1HD1      ILE  27  -1.128  -7.642  -4.241
  215   2HD1  ILE  27          2HD1      ILE  27  -1.892  -6.080  -4.047
  216   3HD1  ILE  27          3HD1      ILE  27  -0.502  -6.507  -3.056
  217    H    LEU  28           H        LEU  28  -0.366  -2.235  -7.238
  218    HA   LEU  28           HA       LEU  28  -1.868  -3.956  -9.092
  219   1HB   LEU  28          2HB       LEU  28  -1.789  -1.087  -8.819
  220   2HB   LEU  28          1HB       LEU  28  -1.227  -1.541 -10.412
  221    HG   LEU  28           HG       LEU  28  -3.687  -0.992 -10.169
  222   1HD1  LEU  28          1HD1      LEU  28  -2.989  -1.996 -12.165
  223   2HD1  LEU  28          2HD1      LEU  28  -4.363  -2.955 -11.613
  224   3HD1  LEU  28          3HD1      LEU  28  -2.719  -3.555 -11.387
  225   1HD2  LEU  28          1HD2      LEU  28  -3.501  -3.264  -8.341
  226   2HD2  LEU  28          2HD2      LEU  28  -4.789  -3.412  -9.534
  227   3HD2  LEU  28          3HD2      LEU  28  -4.727  -2.005  -8.474
  228    H    ASN  29           H        ASN  29   1.116  -2.126  -8.637
  229    HA   ASN  29           HA       ASN  29   2.530  -4.001 -10.366
  230   1HB   ASN  29          2HB       ASN  29   1.950  -1.227 -11.107
  231   2HB   ASN  29          1HB       ASN  29   3.654  -1.655 -11.222
  232   1HD2  ASN  29          1HD2      ASN  29   3.528  -4.272 -11.988
  233   2HD2  ASN  29          2HD2      ASN  29   2.807  -4.389 -13.553
  234    H    MET  30           H        MET  30   4.646  -4.288  -9.757
  235    HA   MET  30           HA       MET  30   5.657  -2.610  -7.556
  236   1HB   MET  30          2HB       MET  30   6.885  -4.652  -6.787
  237   2HB   MET  30          1HB       MET  30   5.137  -4.758  -6.649
  238   1HG   MET  30          2HG       MET  30   5.011  -6.135  -8.609
  239   2HG   MET  30          1HG       MET  30   6.732  -5.918  -8.922
  240   1HE   MET  30          1HE       MET  30   3.979  -7.404  -6.873
  241   2HE   MET  30          2HE       MET  30   4.691  -8.850  -6.156
  242   3HE   MET  30          3HE       MET  30   4.495  -8.738  -7.904
  243    H    GLU  31           H        GLU  31   6.454  -4.419 -10.499
  244    HA   GLU  31           HA       GLU  31   8.406  -4.635 -11.668
  245   1HB   GLU  31          2HB       GLU  31   6.946  -2.267 -11.944
  246   2HB   GLU  31          1HB       GLU  31   8.610  -2.032 -12.432
  247   1HG   GLU  31          2HG       GLU  31   8.428  -4.092 -13.819
  248   2HG   GLU  31          1HG       GLU  31   6.711  -4.135 -13.423
  249    H    ASP  32           H        ASP  32   9.861  -1.905 -11.970
  250    HA   ASP  32           HA       ASP  32  12.096  -2.421 -10.117
  251   1HB   ASP  32          2HB       ASP  32  13.404  -0.745 -11.409
  252   2HB   ASP  32          1HB       ASP  32  13.036  -2.170 -12.376
  253    H    ASP  33           H        ASP  33   9.490  -1.143  -9.577
  254    HA   ASP  33           HA       ASP  33  10.678   1.085  -8.037
  255   1HB   ASP  33          2HB       ASP  33   7.881   0.586  -9.103
  256   2HB   ASP  33          1HB       ASP  33   8.191   1.729  -7.800
  257    H    SER  34           H        SER  34  11.514  -0.620  -6.731
  258    HA   SER  34           HA       SER  34   9.834  -2.422  -5.268
  259   1HB   SER  34          2HB       SER  34  12.460  -2.408  -5.748
  260   2HB   SER  34          1HB       SER  34  12.484  -1.568  -4.198
  261    HG   SER  34           HG       SER  34  12.345  -4.140  -4.574
  262    H    ASN  35           H        ASN  35  11.390   0.712  -4.494
  263    HA   ASN  35           HA       ASN  35  10.287   0.639  -1.864
  264   1HB   ASN  35          2HB       ASN  35  11.529   3.031  -3.225
  265   2HB   ASN  35          1HB       ASN  35  11.333   2.781  -1.494
  266   1HD2  ASN  35          1HD2      ASN  35  13.419   2.558  -4.057
  267   2HD2  ASN  35          2HD2      ASN  35  14.604   1.513  -3.356
  268    H    TRP  36           H        TRP  36   9.256   2.070  -4.911
  269    HA   TRP  36           HA       TRP  36   6.999   3.228  -3.446
  270   1HB   TRP  36          2HB       TRP  36   8.369   4.052  -6.001
  271   2HB   TRP  36          1HB       TRP  36   6.697   4.524  -5.708
  272    HD1  TRP  36           HD1      TRP  36   6.271   6.507  -4.051
  273    HE1  TRP  36           HE1      TRP  36   7.806   8.099  -2.735
  274    HE3  TRP  36           HE3      TRP  36  10.731   4.103  -4.752
  275    HZ2  TRP  36           HZ2      TRP  36  10.545   8.307  -2.079
  276    HZ3  TRP  36           HZ3      TRP  36  12.760   5.065  -3.745
  277    HH2  TRP  36           HH2      TRP  36  12.668   7.124  -2.437
  278    H    TYR  37           H        TYR  37   4.969   2.307  -3.888
  279    HA   TYR  37           HA       TYR  37   4.724   0.755  -6.355
  280   1HB   TYR  37          2HB       TYR  37   4.098  -1.236  -5.374
  281   2HB   TYR  37          1HB       TYR  37   5.358  -0.679  -4.286
  282    HD1  TYR  37           HD1      TYR  37   1.861  -1.535  -4.637
  283    HD2  TYR  37           HD2      TYR  37   4.735   0.248  -2.059
  284    HE1  TYR  37           HE1      TYR  37   0.329  -1.819  -2.739
  285    HE2  TYR  37           HE2      TYR  37   3.209  -0.036  -0.157
  286    HH   TYR  37           HH       TYR  37   0.260  -1.892  -0.429
  287    H    ARG  38           H        ARG  38   2.417   0.120  -6.822
  288    HA   ARG  38           HA       ARG  38   0.761   2.413  -6.122
  289   1HB   ARG  38          2HB       ARG  38   1.260   1.499  -8.554
  290   2HB   ARG  38          1HB       ARG  38  -0.081   0.425  -8.183
  291   1HG   ARG  38          2HG       ARG  38  -1.254   2.692  -7.511
  292   2HG   ARG  38          1HG       ARG  38  -0.064   3.357  -8.632
  293   1HD   ARG  38          2HD       ARG  38  -1.321   0.986  -9.705
  294   2HD   ARG  38          1HD       ARG  38  -2.517   2.204  -9.275
  295    HE   ARG  38           HE       ARG  38  -1.176   3.761 -10.693
  296   1HH1  ARG  38          1HH1      ARG  38  -1.046   0.309 -11.256
  297   2HH1  ARG  38          2HH1      ARG  38  -0.616   0.477 -12.922
  298   1HH2  ARG  38          1HH2      ARG  38  -0.614   3.968 -12.886
  299   2HH2  ARG  38          2HH2      ARG  38  -0.371   2.547 -13.847
  300    H    ALA  39           H        ALA  39  -0.984   2.362  -5.002
  301    HA   ALA  39           HA       ALA  39  -1.984  -0.258  -4.115
  302   1HB   ALA  39          1HB       ALA  39  -2.352   0.580  -1.973
  303   2HB   ALA  39          2HB       ALA  39  -2.245   2.255  -2.509
  304   3HB   ALA  39          3HB       ALA  39  -0.793   1.257  -2.440
  305    H    GLU  40           H        GLU  40  -4.219  -0.373  -3.489
  306    HA   GLU  40           HA       GLU  40  -5.985   1.587  -4.785
  307   1HB   GLU  40          2HB       GLU  40  -5.555  -1.143  -5.573
  308   2HB   GLU  40          1HB       GLU  40  -7.189  -0.989  -4.949
  309   1HG   GLU  40          2HG       GLU  40  -6.917   1.209  -6.594
  310   2HG   GLU  40          1HG       GLU  40  -6.053  -0.066  -7.451
  311    H    LEU  41           H        LEU  41  -7.408   2.341  -3.387
  312    HA   LEU  41           HA       LEU  41  -8.690   0.598  -1.468
  313   1HB   LEU  41          2HB       LEU  41  -8.262   2.435   0.344
  314   2HB   LEU  41          1HB       LEU  41  -7.097   1.154   0.077
  315    HG   LEU  41           HG       LEU  41  -5.975   2.893  -1.527
  316   1HD1  LEU  41          1HD1      LEU  41  -6.534   5.073  -1.328
  317   2HD1  LEU  41          2HD1      LEU  41  -6.976   4.918   0.371
  318   3HD1  LEU  41          3HD1      LEU  41  -8.100   4.403  -0.887
  319   1HD2  LEU  41          1HD2      LEU  41  -5.329   3.902   1.050
  320   2HD2  LEU  41          2HD2      LEU  41  -4.441   2.733   0.073
  321   3HD2  LEU  41          3HD2      LEU  41  -5.670   2.179   1.209
  322    H    ASP  42           H        ASP  42 -10.714   1.208  -1.005
  323    HA   ASP  42           HA       ASP  42 -12.730   2.199  -1.354
  324   1HB   ASP  42          2HB       ASP  42 -11.266   3.981   0.018
  325   2HB   ASP  42          1HB       ASP  42 -11.578   4.930  -1.433
  326    H    GLY  43           H        GLY  43 -10.910   1.666  -3.707
  327   1HA   GLY  43          2HA       GLY  43 -11.432   1.721  -5.979
  328   2HA   GLY  43          1HA       GLY  43 -12.605   2.985  -5.654
  329    H    LYS  44           H        LYS  44  -9.484   3.564  -4.348
  330    HA   LYS  44           HA       LYS  44  -8.868   5.381  -6.591
  331   1HB   LYS  44          2HB       LYS  44  -8.061   5.795  -3.711
  332   2HB   LYS  44          1HB       LYS  44  -8.028   6.965  -5.020
  333   1HG   LYS  44          2HG       LYS  44 -10.464   5.844  -3.652
  334   2HG   LYS  44          1HG       LYS  44  -9.840   7.492  -3.550
  335   1HD   LYS  44          2HD       LYS  44 -10.236   7.724  -6.000
  336   2HD   LYS  44          1HD       LYS  44 -11.008   6.139  -5.980
  337   1HE   LYS  44          2HE       LYS  44 -11.898   8.650  -4.585
  338   2HE   LYS  44          1HE       LYS  44 -12.742   7.755  -5.847
  339   1HZ   LYS  44          1HZ       LYS  44 -13.690   7.349  -3.656
  340   2HZ   LYS  44          2HZ       LYS  44 -12.206   6.757  -3.102
  341   3HZ   LYS  44          3HZ       LYS  44 -13.048   5.927  -4.312
  342    H    GLU  45           H        GLU  45  -6.771   5.371  -7.365
  343    HA   GLU  45           HA       GLU  45  -4.951   3.407  -6.145
  344   1HB   GLU  45          2HB       GLU  45  -4.329   4.436  -8.860
  345   2HB   GLU  45          1HB       GLU  45  -4.145   2.815  -8.209
  346   1HG   GLU  45          2HG       GLU  45  -5.854   2.298  -9.536
  347   2HG   GLU  45          1HG       GLU  45  -6.856   3.067  -8.305
  348    H    GLY  46           H        GLY  46  -2.597   3.926  -6.359
  349   1HA   GLY  46          2HA       GLY  46  -1.569   6.507  -6.704
  350   2HA   GLY  46          1HA       GLY  46  -2.112   6.382  -5.043
  351    H    LEU  47           H        LEU  47   0.433   6.865  -5.055
  352    HA   LEU  47           HA       LEU  47   1.810   4.259  -5.018
  353   1HB   LEU  47          2HB       LEU  47   3.716   6.332  -4.647
  354   2HB   LEU  47          1HB       LEU  47   3.589   5.192  -5.962
  355    HG   LEU  47           HG       LEU  47   3.719   7.363  -6.895
  356   1HD1  LEU  47          1HD1      LEU  47   1.411   5.740  -7.265
  357   2HD1  LEU  47          2HD1      LEU  47   2.249   6.767  -8.427
  358   3HD1  LEU  47          3HD1      LEU  47   0.956   7.433  -7.433
  359   1HD2  LEU  47          1HD2      LEU  47   2.142   8.070  -4.609
  360   2HD2  LEU  47          2HD2      LEU  47   1.467   8.744  -6.087
  361   3HD2  LEU  47          3HD2      LEU  47   3.134   9.087  -5.651
  362    H    ILE  48           H        ILE  48   3.113   3.711  -3.226
  363    HA   ILE  48           HA       ILE  48   3.169   5.431  -0.892
  364    HB   ILE  48           HB       ILE  48   2.299   3.571   0.591
  365   1HG1  ILE  48          2HG1      ILE  48   1.032   2.623  -1.979
  366   2HG1  ILE  48          1HG1      ILE  48   2.390   1.823  -1.199
  367   1HG2  ILE  48          1HG2      ILE  48   1.047   5.689  -0.631
  368   2HG2  ILE  48          2HG2      ILE  48   0.395   4.749   0.695
  369   3HG2  ILE  48          3HG2      ILE  48  -0.048   4.347  -0.954
  370   1HD1  ILE  48          1HD1      ILE  48   0.970   1.538   0.821
  371   2HD1  ILE  48          2HD1      ILE  48   0.383   0.685  -0.603
  372   3HD1  ILE  48          3HD1      ILE  48  -0.377   2.184  -0.112
  373    HA   PRO  49           HA       PRO  49   6.881   3.148  -0.230
  374   1HB   PRO  49          2HB       PRO  49   7.244   3.294   2.477
  375   2HB   PRO  49          1HB       PRO  49   7.471   4.656   1.379
  376   1HG   PRO  49          2HG       PRO  49   5.334   4.178   3.311
  377   2HG   PRO  49          1HG       PRO  49   5.817   5.671   2.530
  378   1HD   PRO  49          2HD       PRO  49   3.604   3.960   1.891
  379   2HD   PRO  49          1HD       PRO  49   4.063   5.489   1.120
  380    H    SER  50           H        SER  50   7.263   1.103  -0.428
  381    HA   SER  50           HA       SER  50   5.589  -0.959   0.278
  382   1HB   SER  50          2HB       SER  50   7.803  -0.757  -1.263
  383   2HB   SER  50          1HB       SER  50   8.424  -1.698   0.080
  384    HG   SER  50           HG       SER  50   6.632  -3.139  -0.258
  385    H    ASN  51           H        ASN  51   8.233   0.294   2.168
  386    HA   ASN  51           HA       ASN  51   8.178  -1.824   4.128
  387   1HB   ASN  51          2HB       ASN  51   9.791  -0.456   5.357
  388   2HB   ASN  51          1HB       ASN  51  10.255  -0.570   3.666
  389   1HD2  ASN  51          1HD2      ASN  51   9.329   1.276   2.291
  390   2HD2  ASN  51          2HD2      ASN  51   9.454   2.854   2.973
  391    H    TYR  52           H        TYR  52   6.122   0.700   3.450
  392    HA   TYR  52           HA       TYR  52   5.413   1.196   6.251
  393   1HB   TYR  52          2HB       TYR  52   5.424   2.762   3.927
  394   2HB   TYR  52          1HB       TYR  52   3.732   2.563   4.361
  395    HD1  TYR  52           HD1      TYR  52   2.912   4.361   5.551
  396    HD2  TYR  52           HD2      TYR  52   6.912   3.100   6.269
  397    HE1  TYR  52           HE1      TYR  52   3.152   6.094   7.268
  398    HE2  TYR  52           HE2      TYR  52   7.154   4.837   7.994
  399    HH   TYR  52           HH       TYR  52   6.205   6.610   8.981
  400    H    ILE  53           H        ILE  53   4.607  -1.069   4.006
  401    HA   ILE  53           HA       ILE  53   2.011  -1.509   5.280
  402    HB   ILE  53           HB       ILE  53   1.302  -2.394   2.877
  403   1HG1  ILE  53          2HG1      ILE  53   2.010  -0.723   1.168
  404   2HG1  ILE  53          1HG1      ILE  53   3.210  -0.125   2.300
  405   1HG2  ILE  53          1HG2      ILE  53   0.409   0.056   2.532
  406   2HG2  ILE  53          2HG2      ILE  53   1.043   0.270   4.163
  407   3HG2  ILE  53          3HG2      ILE  53  -0.180  -0.960   3.847
  408   1HD1  ILE  53          1HD1      ILE  53   3.099  -2.760   0.893
  409   2HD1  ILE  53          2HD1      ILE  53   4.075  -2.531   2.344
  410   3HD1  ILE  53          3HD1      ILE  53   4.382  -1.561   0.911
  411    H    GLU  54           H        GLU  54   1.173  -3.742   4.053
  412    HA   GLU  54           HA       GLU  54   1.625  -5.954   3.483
  413   1HB   GLU  54          2HB       GLU  54   4.334  -5.053   3.852
  414   2HB   GLU  54          1HB       GLU  54   4.114  -6.576   4.681
  415   1HG   GLU  54          2HG       GLU  54   3.272  -6.160   1.835
  416   2HG   GLU  54          1HG       GLU  54   4.904  -6.653   2.278
  417    H    MET  55           H        MET  55   2.944  -7.800   5.235
  418    HA   MET  55           HA       MET  55   1.786  -7.316   7.864
  419   1HB   MET  55          2HB       MET  55  -0.011  -8.326   6.468
  420   2HB   MET  55          1HB       MET  55   1.027  -9.716   6.188
  421   1HG   MET  55          2HG       MET  55   1.042  -9.643   8.879
  422   2HG   MET  55          1HG       MET  55  -0.555  -8.973   8.550
  423   1HE   MET  55          1HE       MET  55  -2.357 -11.722   6.606
  424   2HE   MET  55          2HE       MET  55  -1.141 -10.892   5.634
  425   3HE   MET  55          3HE       MET  55  -2.107  -9.986   6.799
  426    H    LYS  56           H        LYS  56   4.240  -7.265   8.011
  427    HA   LYS  56           HA       LYS  56   6.131  -8.169   8.883
  428   1HB   LYS  56          2HB       LYS  56   4.114 -10.268   9.508
  429   2HB   LYS  56          1HB       LYS  56   5.811 -10.701   9.657
  430   1HG   LYS  56          2HG       LYS  56   5.220  -9.990  11.788
  431   2HG   LYS  56          1HG       LYS  56   6.033  -8.590  11.086
  432   1HD   LYS  56          2HD       LYS  56   4.160  -7.617  12.018
  433   2HD   LYS  56          1HD       LYS  56   3.622  -7.906  10.363
  434   1HE   LYS  56          2HE       LYS  56   1.849  -8.848  11.387
  435   2HE   LYS  56          1HE       LYS  56   2.921 -10.243  11.504
  436   1HZ   LYS  56          1HZ       LYS  56   1.886  -9.763  13.624
  437   2HZ   LYS  56          2HZ       LYS  56   2.506  -8.189  13.610
  438   3HZ   LYS  56          3HZ       LYS  56   3.557  -9.510  13.724
  439    H    ASN  57           H        ASN  57   6.676  -7.964   6.512
  440    HA   ASN  57           HA       ASN  57   8.039 -10.349   5.722
  441   1HB   ASN  57          2HB       ASN  57   5.498 -10.322   4.833
  442   2HB   ASN  57          1HB       ASN  57   6.269  -9.442   3.521
  443   1HD2  ASN  57          1HD2      ASN  57   8.379 -10.504   2.772
  444   2HD2  ASN  57          2HD2      ASN  57   8.304 -12.214   2.531
  445    H    HIS  58           H        HIS  58   6.967  -8.054   3.296
  446    HA   HIS  58           HA       HIS  58   7.990  -6.498   2.084
  447   1HB   HIS  58          2HB       HIS  58   8.401  -5.503   4.430
  448   2HB   HIS  58          1HB       HIS  58  10.057  -6.057   4.217
  449    HD1  HIS  58           HD1      HIS  58  10.970  -3.654   4.138
  450    HD2  HIS  58           HD2      HIS  58   8.185  -4.496   1.175
  451    HE1  HIS  58           HE1      HIS  58  11.139  -1.758   2.497
  452    HE2  HIS  58           HE2      HIS  58   9.519  -2.341   0.672
  453    H    ASP  59           H        ASP  59  11.134  -6.183   2.632
  454    HA   ASP  59           HA       ASP  59  13.033  -6.996   1.697
  455   1HB   ASP  59          2HB       ASP  59  13.092  -9.038   2.728
  456   2HB   ASP  59          1HB       ASP  59  11.464  -9.463   2.224
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1  -0.015  -9.952  -4.428
    2   2H    MET   1          2H        MET   1  -1.194 -10.662  -3.404
    3   3H    MET   1          3H        MET   1  -0.367  -9.244  -2.907
    4    HA   MET   1           HA       MET   1  -1.334  -8.175  -4.945
    5   1HB   MET   1          2HB       MET   1  -2.592 -10.858  -4.878
    6   2HB   MET   1          1HB       MET   1  -3.732  -9.535  -5.081
    7   1HG   MET   1          2HG       MET   1  -3.160  -9.247  -7.209
    8   2HG   MET   1          1HG       MET   1  -1.439  -9.263  -6.827
    9   1HE   MET   1          1HE       MET   1  -4.212 -12.562  -8.091
   10   2HE   MET   1          2HE       MET   1  -4.553 -11.242  -6.972
   11   3HE   MET   1          3HE       MET   1  -3.883 -12.758  -6.369
   12    H    GLU   2           H        GLU   2  -2.013  -9.416  -1.823
   13    HA   GLU   2           HA       GLU   2  -3.757  -7.088  -1.431
   14   1HB   GLU   2          2HB       GLU   2  -4.789  -8.352   0.519
   15   2HB   GLU   2          1HB       GLU   2  -5.229  -8.915  -1.087
   16   1HG   GLU   2          2HG       GLU   2  -2.989 -10.173   0.452
   17   2HG   GLU   2          1HG       GLU   2  -4.667 -10.658   0.695
   18    H    ALA   3           H        ALA   3  -3.368  -5.847   0.491
   19    HA   ALA   3           HA       ALA   3  -1.260  -6.777   2.298
   20   1HB   ALA   3          1HB       ALA   3  -1.062  -4.249   0.682
   21   2HB   ALA   3          2HB       ALA   3   0.009  -5.646   0.632
   22   3HB   ALA   3          3HB       ALA   3  -0.045  -4.628   2.069
   23    H    ILE   4           H        ILE   4  -0.817  -5.070   4.014
   24    HA   ILE   4           HA       ILE   4  -3.247  -3.615   4.779
   25    HB   ILE   4           HB       ILE   4  -1.814  -5.613   6.539
   26   1HG1  ILE   4          2HG1      ILE   4  -4.706  -5.794   6.376
   27   2HG1  ILE   4          1HG1      ILE   4  -3.967  -5.901   4.784
   28   1HG2  ILE   4          1HG2      ILE   4  -4.127  -4.625   7.827
   29   2HG2  ILE   4          2HG2      ILE   4  -3.171  -3.232   7.326
   30   3HG2  ILE   4          3HG2      ILE   4  -2.446  -4.479   8.336
   31   1HD1  ILE   4          1HD1      ILE   4  -4.218  -8.103   5.648
   32   2HD1  ILE   4          2HD1      ILE   4  -3.431  -7.657   7.162
   33   3HD1  ILE   4          3HD1      ILE   4  -2.499  -7.707   5.666
   34    H    ALA   5           H        ALA   5  -2.910  -1.730   5.880
   35    HA   ALA   5           HA       ALA   5  -0.293  -0.584   5.858
   36   1HB   ALA   5          1HB       ALA   5  -2.069   0.988   7.415
   37   2HB   ALA   5          2HB       ALA   5  -2.955   0.351   6.032
   38   3HB   ALA   5          3HB       ALA   5  -1.476   1.278   5.782
   39    H    LYS   6           H        LYS   6   1.232  -0.620   7.344
   40    HA   LYS   6           HA       LYS   6   0.600  -1.671  10.002
   41   1HB   LYS   6          2HB       LYS   6   2.921  -1.700   8.331
   42   2HB   LYS   6          1HB       LYS   6   3.332  -0.926   9.857
   43   1HG   LYS   6          2HG       LYS   6   1.947  -3.592   9.674
   44   2HG   LYS   6          1HG       LYS   6   3.692  -3.399   9.789
   45   1HD   LYS   6          2HD       LYS   6   3.433  -3.420  12.007
   46   2HD   LYS   6          1HD       LYS   6   2.724  -1.814  11.839
   47   1HE   LYS   6          2HE       LYS   6   1.271  -3.288  13.136
   48   2HE   LYS   6          1HE       LYS   6   0.504  -2.806  11.623
   49   1HZ   LYS   6          1HZ       LYS   6   0.129  -4.985  11.382
   50   2HZ   LYS   6          2HZ       LYS   6   1.292  -5.431  12.526
   51   3HZ   LYS   6          3HZ       LYS   6   1.757  -5.093  10.937
   52    H    HIS   7           H        HIS   7   1.196   1.321   8.443
   53    HA   HIS   7           HA       HIS   7   0.738   2.755  10.922
   54   1HB   HIS   7          2HB       HIS   7   3.363   2.489   9.920
   55   2HB   HIS   7          1HB       HIS   7   2.857   4.135   9.552
   56    HD1  HIS   7           HD1      HIS   7   5.024   4.073  11.509
   57    HD2  HIS   7           HD2      HIS   7   1.070   3.587  12.694
   58    HE1  HIS   7           HE1      HIS   7   4.974   4.664  13.954
   59    HE2  HIS   7           HE2      HIS   7   2.584   4.306  14.662
   60    H    ASP   8           H        ASP   8   0.828   5.207  10.370
   61    HA   ASP   8           HA       ASP   8  -1.182   5.533   8.324
   62   1HB   ASP   8          2HB       ASP   8  -0.707   8.069   9.375
   63   2HB   ASP   8          1HB       ASP   8  -1.977   6.957   9.859
   64    H    PHE   9           H        PHE   9  -1.134   6.869   6.537
   65    HA   PHE   9           HA       PHE   9   1.384   8.207   5.932
   66   1HB   PHE   9          2HB       PHE   9   1.356   5.891   4.871
   67   2HB   PHE   9          1HB       PHE   9   0.049   6.478   3.848
   68    HD1  PHE   9           HD1      PHE   9   0.638   7.222   1.766
   69    HD2  PHE   9           HD2      PHE   9   3.445   7.584   4.944
   70    HE1  PHE   9           HE1      PHE   9   2.284   8.162   0.198
   71    HE2  PHE   9           HE2      PHE   9   5.098   8.526   3.382
   72    HZ   PHE   9           HZ       PHE   9   4.518   8.817   1.005
   73    H    SER  10           H        SER  10   0.997  10.228   5.304
   74    HA   SER  10           HA       SER  10  -1.528  10.786   3.876
   75   1HB   SER  10          2HB       SER  10  -1.146  13.199   4.760
   76   2HB   SER  10          1HB       SER  10  -1.775  12.000   5.890
   77    HG   SER  10           HG       SER  10   0.122  11.927   6.903
   78    H    ALA  11           H        ALA  11  -1.402  11.235   1.959
   79    HA   ALA  11           HA       ALA  11   0.857  11.390   0.393
   80   1HB   ALA  11          1HB       ALA  11  -1.863  11.293   0.016
   81   2HB   ALA  11          2HB       ALA  11  -0.633  11.303  -1.243
   82   3HB   ALA  11          3HB       ALA  11  -1.395  12.812  -0.748
   83    H    THR  12           H        THR  12   2.068  12.922  -0.486
   84    HA   THR  12           HA       THR  12   1.647  15.702   0.404
   85    HB   THR  12           HB       THR  12   4.321  14.576  -0.405
   86    HG1  THR  12           HG1      THR  12   4.413  14.615   2.131
   87   1HG2  THR  12          1HG2      THR  12   4.340  16.942  -0.254
   88   2HG2  THR  12          2HG2      THR  12   5.150  16.304   1.177
   89   3HG2  THR  12          3HG2      THR  12   3.498  16.909   1.296
   90    H    ALA  13           H        ALA  13   1.121  13.918  -2.179
   91    HA   ALA  13           HA       ALA  13   1.458  16.155  -4.006
   92   1HB   ALA  13          1HB       ALA  13   2.191  13.865  -5.498
   93   2HB   ALA  13          2HB       ALA  13   3.179  13.870  -4.038
   94   3HB   ALA  13          3HB       ALA  13   3.180  15.272  -5.108
   95    H    ASP  14           H        ASP  14   0.255  15.840  -5.987
   96    HA   ASP  14           HA       ASP  14  -2.364  14.940  -5.520
   97   1HB   ASP  14          2HB       ASP  14  -0.999  15.816  -8.059
   98   2HB   ASP  14          1HB       ASP  14  -2.724  15.483  -7.941
   99    H    ASP  15           H        ASP  15   0.330  13.318  -7.084
  100    HA   ASP  15           HA       ASP  15  -1.469  11.343  -8.243
  101   1HB   ASP  15          2HB       ASP  15   1.036  12.421  -8.960
  102   2HB   ASP  15          1HB       ASP  15   1.298  10.707  -8.653
  103    H    GLU  16           H        GLU  16  -0.394  11.660  -5.305
  104    HA   GLU  16           HA       GLU  16   0.434   8.872  -4.824
  105   1HB   GLU  16          2HB       GLU  16   1.450  11.245  -3.893
  106   2HB   GLU  16          1HB       GLU  16   0.446  10.703  -2.559
  107   1HG   GLU  16          2HG       GLU  16   2.192   9.497  -1.926
  108   2HG   GLU  16          1HG       GLU  16   1.791   8.426  -3.265
  109    H    LEU  17           H        LEU  17  -0.367   7.875  -2.784
  110    HA   LEU  17           HA       LEU  17  -3.201   8.575  -2.322
  111   1HB   LEU  17          2HB       LEU  17  -2.081   6.138  -3.280
  112   2HB   LEU  17          1HB       LEU  17  -2.785   5.849  -1.713
  113    HG   LEU  17           HG       LEU  17  -4.199   6.932  -4.142
  114   1HD1  LEU  17          1HD1      LEU  17  -3.876   4.528  -4.175
  115   2HD1  LEU  17          2HD1      LEU  17  -5.572   4.909  -3.880
  116   3HD1  LEU  17          3HD1      LEU  17  -4.541   4.397  -2.554
  117   1HD2  LEU  17          1HD2      LEU  17  -6.079   6.382  -2.165
  118   2HD2  LEU  17          2HD2      LEU  17  -5.594   7.972  -2.754
  119   3HD2  LEU  17          3HD2      LEU  17  -4.806   7.276  -1.341
  120    H    SER  18           H        SER  18  -4.045   8.331  -0.258
  121    HA   SER  18           HA       SER  18  -2.042   8.168   1.878
  122   1HB   SER  18          2HB       SER  18  -3.457   9.504   3.201
  123   2HB   SER  18          1HB       SER  18  -3.610  10.192   1.585
  124    HG   SER  18           HG       SER  18  -5.650   9.923   2.523
  125    H    PHE  19           H        PHE  19  -2.512   6.965   3.815
  126    HA   PHE  19           HA       PHE  19  -4.767   5.178   3.924
  127   1HB   PHE  19          2HB       PHE  19  -2.065   3.850   3.715
  128   2HB   PHE  19          1HB       PHE  19  -3.642   3.084   3.716
  129    HD1  PHE  19           HD1      PHE  19  -1.066   4.656   1.735
  130    HD2  PHE  19           HD2      PHE  19  -5.042   3.169   1.697
  131    HE1  PHE  19           HE1      PHE  19  -1.000   4.542  -0.720
  132    HE2  PHE  19           HE2      PHE  19  -4.972   3.063  -0.757
  133    HZ   PHE  19           HZ       PHE  19  -2.954   3.736  -1.965
  134    H    ARG  20           H        ARG  20  -4.809   3.851   5.868
  135    HA   ARG  20           HA       ARG  20  -3.040   4.907   7.961
  136   1HB   ARG  20          2HB       ARG  20  -5.273   4.272   9.378
  137   2HB   ARG  20          1HB       ARG  20  -4.880   5.883   8.802
  138   1HG   ARG  20          2HG       ARG  20  -6.348   4.244   6.861
  139   2HG   ARG  20          1HG       ARG  20  -7.231   4.585   8.347
  140   1HD   ARG  20          2HD       ARG  20  -5.955   6.600   6.509
  141   2HD   ARG  20          1HD       ARG  20  -7.681   6.285   6.679
  142    HE   ARG  20           HE       ARG  20  -6.070   7.934   8.347
  143   1HH1  ARG  20          1HH1      ARG  20  -8.833   5.797   8.389
  144   2HH1  ARG  20          2HH1      ARG  20  -9.558   6.561   9.763
  145   1HH2  ARG  20          1HH2      ARG  20  -7.028   8.940  10.154
  146   2HH2  ARG  20          2HH2      ARG  20  -8.536   8.344  10.765
  147    H    LYS  21           H        LYS  21  -2.647   3.561   9.781
  148    HA   LYS  21           HA       LYS  21  -1.903   0.967   9.203
  149   1HB   LYS  21          2HB       LYS  21  -1.438   0.667  11.502
  150   2HB   LYS  21          1HB       LYS  21  -1.139   2.360  11.148
  151   1HG   LYS  21          2HG       LYS  21  -3.401   2.872  12.077
  152   2HG   LYS  21          1HG       LYS  21  -3.502   1.187  12.592
  153   1HD   LYS  21          2HD       LYS  21  -1.001   2.440  13.390
  154   2HD   LYS  21          1HD       LYS  21  -2.408   3.286  14.034
  155   1HE   LYS  21          2HE       LYS  21  -2.783   1.676  15.522
  156   2HE   LYS  21          1HE       LYS  21  -2.719   0.429  14.279
  157   1HZ   LYS  21          1HZ       LYS  21  -0.691  -0.157  14.926
  158   2HZ   LYS  21          2HZ       LYS  21  -0.884   0.845  16.274
  159   3HZ   LYS  21          3HZ       LYS  21  -0.122   1.435  14.884
  160    H    GLY  22           H        GLY  22  -2.759  -0.864  10.859
  161   1HA   GLY  22          2HA       GLY  22  -4.359  -2.495  11.063
  162   2HA   GLY  22          1HA       GLY  22  -5.442  -1.175  11.443
  163    H    GLN  23           H        GLN  23  -5.101  -0.074   8.581
  164    HA   GLN  23           HA       GLN  23  -7.321  -1.549   7.539
  165   1HB   GLN  23          2HB       GLN  23  -5.789   0.616   6.122
  166   2HB   GLN  23          1HB       GLN  23  -7.425   0.064   5.789
  167   1HG   GLN  23          2HG       GLN  23  -7.348   0.831   8.506
  168   2HG   GLN  23          1HG       GLN  23  -6.558   2.107   7.583
  169   1HE2  GLN  23          1HE2      GLN  23  -8.713   2.914   8.747
  170   2HE2  GLN  23          2HE2      GLN  23 -10.064   3.021   7.676
  171    H    ILE  24           H        ILE  24  -7.555  -2.207   5.270
  172    HA   ILE  24           HA       ILE  24  -5.178  -3.709   4.410
  173    HB   ILE  24           HB       ILE  24  -7.981  -4.293   3.499
  174   1HG1  ILE  24          2HG1      ILE  24  -6.996  -6.043   5.617
  175   2HG1  ILE  24          1HG1      ILE  24  -7.220  -4.389   6.175
  176   1HG2  ILE  24          1HG2      ILE  24  -5.367  -5.725   3.497
  177   2HG2  ILE  24          2HG2      ILE  24  -6.520  -5.500   2.186
  178   3HG2  ILE  24          3HG2      ILE  24  -6.866  -6.645   3.481
  179   1HD1  ILE  24          1HD1      ILE  24  -9.511  -4.874   4.745
  180   2HD1  ILE  24          2HD1      ILE  24  -9.339  -4.963   6.498
  181   3HD1  ILE  24          3HD1      ILE  24  -9.180  -6.423   5.520
  182    H    LEU  25           H        LEU  25  -4.129  -2.669   2.854
  183    HA   LEU  25           HA       LEU  25  -5.624  -1.230   0.797
  184   1HB   LEU  25          2HB       LEU  25  -3.693  -0.005   0.344
  185   2HB   LEU  25          1HB       LEU  25  -3.736  -0.170   2.085
  186    HG   LEU  25           HG       LEU  25  -2.000  -1.820   0.250
  187   1HD1  LEU  25          1HD1      LEU  25  -1.253   0.463   0.190
  188   2HD1  LEU  25          2HD1      LEU  25  -0.166  -0.443   1.245
  189   3HD1  LEU  25          3HD1      LEU  25  -1.401   0.604   1.942
  190   1HD2  LEU  25          1HD2      LEU  25  -0.943  -1.865   2.796
  191   2HD2  LEU  25          2HD2      LEU  25  -1.875  -3.150   2.042
  192   3HD2  LEU  25          3HD2      LEU  25  -2.675  -1.981   3.083
  193    H    LYS  26           H        LYS  26  -5.577  -1.826  -1.367
  194    HA   LYS  26           HA       LYS  26  -4.586  -4.499  -1.960
  195   1HB   LYS  26          2HB       LYS  26  -6.541  -2.614  -3.156
  196   2HB   LYS  26          1HB       LYS  26  -5.770  -3.751  -4.247
  197   1HG   LYS  26          2HG       LYS  26  -6.577  -5.615  -2.939
  198   2HG   LYS  26          1HG       LYS  26  -7.281  -4.511  -1.756
  199   1HD   LYS  26          2HD       LYS  26  -8.097  -4.083  -4.558
  200   2HD   LYS  26          1HD       LYS  26  -8.655  -5.585  -3.818
  201   1HE   LYS  26          2HE       LYS  26 -10.350  -4.006  -3.384
  202   2HE   LYS  26          1HE       LYS  26  -9.453  -4.159  -1.874
  203   1HZ   LYS  26          1HZ       LYS  26  -8.140  -2.157  -2.993
  204   2HZ   LYS  26          2HZ       LYS  26  -9.493  -1.922  -2.011
  205   3HZ   LYS  26          3HZ       LYS  26  -9.655  -1.897  -3.694
  206    H    ILE  27           H        ILE  27  -2.632  -4.821  -2.882
  207    HA   ILE  27           HA       ILE  27  -1.441  -2.624  -4.419
  208    HB   ILE  27           HB       ILE  27   0.701  -3.839  -4.168
  209   1HG1  ILE  27          2HG1      ILE  27  -0.814  -5.555  -2.194
  210   2HG1  ILE  27          1HG1      ILE  27  -0.354  -6.086  -3.809
  211   1HG2  ILE  27          1HG2      ILE  27  -0.603  -2.214  -2.388
  212   2HG2  ILE  27          2HG2      ILE  27   1.099  -2.663  -2.331
  213   3HG2  ILE  27          3HG2      ILE  27  -0.075  -3.558  -1.376
  214   1HD1  ILE  27          1HD1      ILE  27   1.641  -5.129  -1.784
  215   2HD1  ILE  27          2HD1      ILE  27   1.931  -6.008  -3.281
  216   3HD1  ILE  27          3HD1      ILE  27   1.144  -6.815  -1.931
  217    H    LEU  28           H        LEU  28  -0.308  -3.059  -6.337
  218    HA   LEU  28           HA       LEU  28  -1.585  -5.074  -8.003
  219   1HB   LEU  28          2HB       LEU  28  -0.912  -2.414  -8.276
  220   2HB   LEU  28          1HB       LEU  28   0.456  -3.165  -9.063
  221    HG   LEU  28           HG       LEU  28  -2.310  -2.819  -9.997
  222   1HD1  LEU  28          1HD1      LEU  28  -0.014  -3.450 -11.759
  223   2HD1  LEU  28          2HD1      LEU  28   0.035  -1.946 -10.837
  224   3HD1  LEU  28          3HD1      LEU  28  -1.301  -2.257 -11.945
  225   1HD2  LEU  28          1HD2      LEU  28  -2.124  -5.324  -9.649
  226   2HD2  LEU  28          2HD2      LEU  28  -0.868  -5.302 -10.885
  227   3HD2  LEU  28          3HD2      LEU  28  -2.505  -4.776 -11.278
  228    H    ASN  29           H        ASN  29  -0.170  -6.615  -9.305
  229    HA   ASN  29           HA       ASN  29   1.297  -8.329  -9.138
  230   1HB   ASN  29          2HB       ASN  29   2.550  -5.858  -9.996
  231   2HB   ASN  29          1HB       ASN  29   3.727  -6.989  -9.342
  232   1HD2  ASN  29          1HD2      ASN  29   4.446  -8.558 -10.603
  233   2HD2  ASN  29          2HD2      ASN  29   3.754  -9.033 -12.113
  234    H    MET  30           H        MET  30   3.939  -6.605  -7.772
  235    HA   MET  30           HA       MET  30   3.660  -8.230  -5.331
  236   1HB   MET  30          2HB       MET  30   5.739  -8.196  -7.217
  237   2HB   MET  30          1HB       MET  30   6.354  -7.260  -5.864
  238   1HG   MET  30          2HG       MET  30   6.049  -9.074  -4.363
  239   2HG   MET  30          1HG       MET  30   5.170 -10.004  -5.575
  240   1HE   MET  30          1HE       MET  30   8.769 -10.446  -3.984
  241   2HE   MET  30          2HE       MET  30   8.166  -8.790  -4.046
  242   3HE   MET  30          3HE       MET  30   9.559  -9.259  -5.021
  243    H    GLU  31           H        GLU  31   5.769  -5.570  -6.226
  244    HA   GLU  31           HA       GLU  31   5.377  -3.310  -5.739
  245   1HB   GLU  31          2HB       GLU  31   3.978  -2.593  -4.145
  246   2HB   GLU  31          1HB       GLU  31   3.573  -4.261  -3.856
  247   1HG   GLU  31          2HG       GLU  31   5.658  -2.679  -2.369
  248   2HG   GLU  31          1HG       GLU  31   4.041  -3.066  -1.796
  249    H    ASP  32           H        ASP  32   7.470  -5.574  -5.326
  250    HA   ASP  32           HA       ASP  32   9.072  -3.916  -3.606
  251   1HB   ASP  32          2HB       ASP  32   9.203  -6.831  -3.817
  252   2HB   ASP  32          1HB       ASP  32  10.716  -5.977  -3.527
  253    H    ASP  33           H        ASP  33   8.628  -3.730  -6.560
  254    HA   ASP  33           HA       ASP  33  10.872  -3.888  -8.091
  255   1HB   ASP  33          2HB       ASP  33   8.715  -1.834  -7.737
  256   2HB   ASP  33          1HB       ASP  33  10.079  -1.414  -8.768
  257    H    SER  34           H        SER  34   9.993  -1.129  -6.037
  258    HA   SER  34           HA       SER  34  12.698  -0.743  -5.127
  259   1HB   SER  34          2HB       SER  34  12.446   0.399  -7.447
  260   2HB   SER  34          1HB       SER  34  11.497   1.606  -6.580
  261    HG   SER  34           HG       SER  34  13.464   2.407  -6.343
  262    H    ASN  35           H        ASN  35  12.048   2.135  -4.594
  263    HA   ASN  35           HA       ASN  35  10.924   1.638  -1.999
  264   1HB   ASN  35          2HB       ASN  35  11.737   4.278  -3.205
  265   2HB   ASN  35          1HB       ASN  35  11.391   3.973  -1.506
  266   1HD2  ASN  35          1HD2      ASN  35  13.740   3.984  -3.918
  267   2HD2  ASN  35          2HD2      ASN  35  15.020   3.250  -3.019
  268    H    TRP  36           H        TRP  36   9.593   3.031  -4.971
  269    HA   TRP  36           HA       TRP  36   7.184   3.681  -3.416
  270   1HB   TRP  36          2HB       TRP  36   7.398   4.587  -6.247
  271   2HB   TRP  36          1HB       TRP  36   6.695   5.392  -4.857
  272    HD1  TRP  36           HD1      TRP  36   8.700   6.342  -3.023
  273    HE1  TRP  36           HE1      TRP  36  10.820   7.657  -3.665
  274    HE3  TRP  36           HE3      TRP  36   9.013   5.026  -7.956
  275    HZ2  TRP  36           HZ2      TRP  36  12.409   8.085  -5.962
  276    HZ3  TRP  36           HZ3      TRP  36  10.857   5.935  -9.307
  277    HH2  TRP  36           HH2      TRP  36  12.519   7.434  -8.329
  278    H    TYR  37           H        TYR  37   5.291   2.514  -3.861
  279    HA   TYR  37           HA       TYR  37   5.240   0.935  -6.335
  280   1HB   TYR  37          2HB       TYR  37   4.447  -1.036  -5.237
  281   2HB   TYR  37          1HB       TYR  37   5.914  -0.526  -4.417
  282    HD1  TYR  37           HD1      TYR  37   5.870   0.120  -2.104
  283    HD2  TYR  37           HD2      TYR  37   2.246  -0.775  -4.146
  284    HE1  TYR  37           HE1      TYR  37   4.679  -0.003   0.044
  285    HE2  TYR  37           HE2      TYR  37   1.068  -0.880  -1.987
  286    HH   TYR  37           HH       TYR  37   1.870  -1.415   0.506
  287    H    ARG  38           H        ARG  38   3.006   0.191  -6.924
  288    HA   ARG  38           HA       ARG  38   1.140   2.339  -6.243
  289   1HB   ARG  38          2HB       ARG  38   1.902   1.411  -8.681
  290   2HB   ARG  38          1HB       ARG  38   0.404   0.526  -8.441
  291   1HG   ARG  38          2HG       ARG  38  -0.887   2.403  -8.534
  292   2HG   ARG  38          1HG       ARG  38   0.397   3.449  -7.923
  293   1HD   ARG  38          2HD       ARG  38   0.116   2.297 -10.691
  294   2HD   ARG  38          1HD       ARG  38   0.063   3.996 -10.226
  295    HE   ARG  38           HE       ARG  38   2.496   3.479  -9.475
  296   1HH1  ARG  38          1HH1      ARG  38   0.898   2.239 -12.325
  297   2HH1  ARG  38          2HH1      ARG  38   2.367   2.074 -13.224
  298   1HH2  ARG  38          1HH2      ARG  38   4.422   3.260 -10.661
  299   2HH2  ARG  38          2HH2      ARG  38   4.366   2.652 -12.282
  300    H    ALA  39           H        ALA  39  -0.631   2.114  -5.197
  301    HA   ALA  39           HA       ALA  39  -1.783  -0.567  -4.852
  302   1HB   ALA  39          1HB       ALA  39  -2.060   1.185  -2.525
  303   2HB   ALA  39          2HB       ALA  39  -0.398   0.715  -2.877
  304   3HB   ALA  39          3HB       ALA  39  -1.627  -0.522  -2.615
  305    H    GLU  40           H        GLU  40  -3.983  -0.570  -4.104
  306    HA   GLU  40           HA       GLU  40  -5.560   1.783  -4.913
  307   1HB   GLU  40          2HB       GLU  40  -6.058  -1.159  -5.398
  308   2HB   GLU  40          1HB       GLU  40  -7.327   0.049  -5.550
  309   1HG   GLU  40          2HG       GLU  40  -6.285   1.070  -7.388
  310   2HG   GLU  40          1HG       GLU  40  -4.757   0.243  -7.083
  311    H    LEU  41           H        LEU  41  -7.249   2.336  -3.527
  312    HA   LEU  41           HA       LEU  41  -8.021   0.487  -1.434
  313   1HB   LEU  41          2HB       LEU  41  -6.831   1.435   0.181
  314   2HB   LEU  41          1HB       LEU  41  -6.135   2.523  -0.986
  315    HG   LEU  41           HG       LEU  41  -8.744   3.440  -0.042
  316   1HD1  LEU  41          1HD1      LEU  41  -6.524   3.016   1.940
  317   2HD1  LEU  41          2HD1      LEU  41  -8.167   2.398   2.023
  318   3HD1  LEU  41          3HD1      LEU  41  -7.866   4.128   2.189
  319   1HD2  LEU  41          1HD2      LEU  41  -7.685   5.523   0.010
  320   2HD2  LEU  41          2HD2      LEU  41  -6.909   4.682  -1.331
  321   3HD2  LEU  41          3HD2      LEU  41  -6.087   4.808   0.223
  322    H    ASP  42           H        ASP  42 -10.111   0.589  -1.048
  323    HA   ASP  42           HA       ASP  42 -12.297   1.063  -1.385
  324   1HB   ASP  42          2HB       ASP  42 -11.243   3.815  -0.757
  325   2HB   ASP  42          1HB       ASP  42 -12.959   3.451  -0.917
  326    H    GLY  43           H        GLY  43 -10.759   0.894  -3.783
  327   1HA   GLY  43          2HA       GLY  43 -11.396   1.039  -6.021
  328   2HA   GLY  43          1HA       GLY  43 -12.623   2.210  -5.569
  329    H    LYS  44           H        LYS  44  -9.535   2.985  -4.340
  330    HA   LYS  44           HA       LYS  44  -9.105   4.908  -6.542
  331   1HB   LYS  44          2HB       LYS  44  -8.600   5.171  -3.569
  332   2HB   LYS  44          1HB       LYS  44  -8.087   6.355  -4.763
  333   1HG   LYS  44          2HG       LYS  44 -10.022   7.351  -4.230
  334   2HG   LYS  44          1HG       LYS  44 -10.713   6.179  -5.355
  335   1HD   LYS  44          2HD       LYS  44 -11.935   5.316  -3.709
  336   2HD   LYS  44          1HD       LYS  44 -10.468   4.925  -2.817
  337   1HE   LYS  44          2HE       LYS  44 -10.532   6.898  -1.593
  338   2HE   LYS  44          1HE       LYS  44 -11.582   7.698  -2.762
  339   1HZ   LYS  44          1HZ       LYS  44 -12.916   5.445  -1.757
  340   2HZ   LYS  44          2HZ       LYS  44 -13.324   7.077  -1.578
  341   3HZ   LYS  44          3HZ       LYS  44 -12.317   6.329  -0.443
  342    H    GLU  45           H        GLU  45  -7.007   5.111  -7.317
  343    HA   GLU  45           HA       GLU  45  -5.033   3.242  -6.184
  344   1HB   GLU  45          2HB       GLU  45  -3.861   3.457  -8.410
  345   2HB   GLU  45          1HB       GLU  45  -5.444   2.698  -8.503
  346   1HG   GLU  45          2HG       GLU  45  -6.412   4.536  -9.520
  347   2HG   GLU  45          1HG       GLU  45  -5.147   5.634  -8.974
  348    H    GLY  46           H        GLY  46  -2.760   3.967  -6.278
  349   1HA   GLY  46          2HA       GLY  46  -2.027   6.688  -6.426
  350   2HA   GLY  46          1HA       GLY  46  -2.506   6.308  -4.797
  351    H    LEU  47           H        LEU  47  -0.132   7.141  -4.804
  352    HA   LEU  47           HA       LEU  47   1.742   4.873  -5.043
  353   1HB   LEU  47          2HB       LEU  47   1.878   7.514  -5.965
  354   2HB   LEU  47          1HB       LEU  47   2.926   7.486  -4.563
  355    HG   LEU  47           HG       LEU  47   4.085   7.085  -6.730
  356   1HD1  LEU  47          1HD1      LEU  47   4.754   6.209  -4.392
  357   2HD1  LEU  47          2HD1      LEU  47   5.572   5.606  -5.831
  358   3HD1  LEU  47          3HD1      LEU  47   4.328   4.629  -5.057
  359   1HD2  LEU  47          1HD2      LEU  47   3.759   4.486  -7.325
  360   2HD2  LEU  47          2HD2      LEU  47   2.892   5.788  -8.138
  361   3HD2  LEU  47          3HD2      LEU  47   2.115   4.893  -6.835
  362    H    ILE  48           H        ILE  48   2.860   4.139  -3.263
  363    HA   ILE  48           HA       ILE  48   2.831   5.659  -0.768
  364    HB   ILE  48           HB       ILE  48   0.765   4.249  -0.845
  365   1HG1  ILE  48          2HG1      ILE  48   2.822   4.152   1.254
  366   2HG1  ILE  48          1HG1      ILE  48   1.176   4.726   1.337
  367   1HG2  ILE  48          1HG2      ILE  48   1.435   1.718  -0.266
  368   2HG2  ILE  48          2HG2      ILE  48   2.759   2.139  -1.347
  369   3HG2  ILE  48          3HG2      ILE  48   1.091   2.291  -1.894
  370   1HD1  ILE  48          1HD1      ILE  48   2.169   1.902   1.579
  371   2HD1  ILE  48          2HD1      ILE  48   0.463   2.335   1.451
  372   3HD1  ILE  48          3HD1      ILE  48   1.416   2.899   2.824
  373    HA   PRO  49           HA       PRO  49   6.874   3.799  -0.465
  374   1HB   PRO  49          2HB       PRO  49   7.364   3.904   2.201
  375   2HB   PRO  49          1HB       PRO  49   7.403   5.321   1.149
  376   1HG   PRO  49          2HG       PRO  49   5.287   4.422   3.041
  377   2HG   PRO  49          1HG       PRO  49   5.820   6.064   2.641
  378   1HD   PRO  49          2HD       PRO  49   3.559   4.886   1.648
  379   2HD   PRO  49          1HD       PRO  49   4.406   6.213   0.856
  380    H    SER  50           H        SER  50   7.458   1.801  -0.659
  381    HA   SER  50           HA       SER  50   6.006  -0.444   0.012
  382   1HB   SER  50          2HB       SER  50   8.215  -1.682  -0.396
  383   2HB   SER  50          1HB       SER  50   7.561  -0.709  -1.712
  384    HG   SER  50           HG       SER  50   9.019   0.974  -0.472
  385    H    ASN  51           H        ASN  51   8.271   1.153   2.007
  386    HA   ASN  51           HA       ASN  51   8.739  -1.004   3.822
  387   1HB   ASN  51          2HB       ASN  51   9.838   1.495   3.395
  388   2HB   ASN  51          1HB       ASN  51   9.042   1.674   4.956
  389   1HD2  ASN  51          1HD2      ASN  51   9.413  -0.395   6.372
  390   2HD2  ASN  51          2HD2      ASN  51  11.067  -0.880   6.493
  391    H    TYR  52           H        TYR  52   6.014   0.964   3.364
  392    HA   TYR  52           HA       TYR  52   5.139   0.788   6.155
  393   1HB   TYR  52          2HB       TYR  52   4.327   2.362   3.769
  394   2HB   TYR  52          1HB       TYR  52   3.088   2.020   4.966
  395    HD1  TYR  52           HD1      TYR  52   2.847   4.424   5.354
  396    HD2  TYR  52           HD2      TYR  52   6.538   2.442   6.109
  397    HE1  TYR  52           HE1      TYR  52   3.606   6.356   6.672
  398    HE2  TYR  52           HE2      TYR  52   7.306   4.370   7.435
  399    HH   TYR  52           HH       TYR  52   5.421   6.607   8.697
  400    H    ILE  53           H        ILE  53   4.988  -1.346   3.661
  401    HA   ILE  53           HA       ILE  53   2.208  -2.129   4.191
  402    HB   ILE  53           HB       ILE  53   2.424  -2.090   1.899
  403   1HG1  ILE  53          2HG1      ILE  53   3.213  -4.950   2.494
  404   2HG1  ILE  53          1HG1      ILE  53   1.575  -4.317   2.605
  405   1HG2  ILE  53          1HG2      ILE  53   4.322  -2.864   0.603
  406   2HG2  ILE  53          2HG2      ILE  53   5.133  -3.380   2.081
  407   3HG2  ILE  53          3HG2      ILE  53   4.810  -1.669   1.800
  408   1HD1  ILE  53          1HD1      ILE  53   3.097  -5.186   0.285
  409   2HD1  ILE  53          2HD1      ILE  53   2.327  -3.618   0.057
  410   3HD1  ILE  53          3HD1      ILE  53   1.366  -5.018   0.495
  411    H    GLU  54           H        GLU  54   1.625  -4.139   4.917
  412    HA   GLU  54           HA       GLU  54   3.567  -6.180   5.522
  413   1HB   GLU  54          2HB       GLU  54   2.972  -4.189   7.482
  414   2HB   GLU  54          1HB       GLU  54   2.291  -5.716   8.023
  415   1HG   GLU  54          2HG       GLU  54   4.307  -6.230   8.795
  416   2HG   GLU  54          1HG       GLU  54   4.828  -6.381   7.117
  417    H    MET  55           H        MET  55   2.633  -8.150   6.078
  418    HA   MET  55           HA       MET  55  -0.094  -8.532   6.695
  419   1HB   MET  55          2HB       MET  55  -0.634  -7.867   4.470
  420   2HB   MET  55          1HB       MET  55   0.693  -8.792   3.787
  421   1HG   MET  55          2HG       MET  55  -0.539 -10.640   3.620
  422   2HG   MET  55          1HG       MET  55  -1.208 -10.448   5.239
  423   1HE   MET  55          1HE       MET  55  -4.602 -10.707   3.564
  424   2HE   MET  55          2HE       MET  55  -3.565 -11.147   4.920
  425   3HE   MET  55          3HE       MET  55  -3.184 -11.721   3.297
  426    H    LYS  56           H        LYS  56   2.701  -9.900   5.016
  427    HA   LYS  56           HA       LYS  56   2.092 -12.593   5.736
  428   1HB   LYS  56          2HB       LYS  56   4.923 -12.058   5.174
  429   2HB   LYS  56          1HB       LYS  56   3.821 -13.198   4.421
  430   1HG   LYS  56          2HG       LYS  56   4.020 -10.261   3.796
  431   2HG   LYS  56          1HG       LYS  56   4.669 -11.580   2.826
  432   1HD   LYS  56          2HD       LYS  56   2.042 -12.314   3.122
  433   2HD   LYS  56          1HD       LYS  56   1.933 -10.556   3.006
  434   1HE   LYS  56          2HE       LYS  56   3.327 -12.381   1.046
  435   2HE   LYS  56          1HE       LYS  56   1.760 -11.611   0.800
  436   1HZ   LYS  56          1HZ       LYS  56   4.183 -10.600   0.085
  437   2HZ   LYS  56          2HZ       LYS  56   3.807  -9.738   1.490
  438   3HZ   LYS  56          3HZ       LYS  56   2.736  -9.730   0.181
  439    H    ASN  57           H        ASN  57   4.933 -10.639   6.757
  440    HA   ASN  57           HA       ASN  57   6.153 -10.632   8.663
  441   1HB   ASN  57          2HB       ASN  57   3.377 -11.039   9.767
  442   2HB   ASN  57          1HB       ASN  57   4.779 -10.798  10.807
  443   1HD2  ASN  57          1HD2      ASN  57   2.438  -9.324   8.829
  444   2HD2  ASN  57          2HD2      ASN  57   3.003  -7.697   8.964
  445    H    HIS  58           H        HIS  58   4.389 -12.739  10.691
  446    HA   HIS  58           HA       HIS  58   4.648 -14.784  11.461
  447   1HB   HIS  58          2HB       HIS  58   4.446 -15.563   9.082
  448   2HB   HIS  58          1HB       HIS  58   6.205 -15.631   9.047
  449    HD1  HIS  58           HD1      HIS  58   7.305 -17.644  10.093
  450    HD2  HIS  58           HD2      HIS  58   3.242 -17.412  10.932
  451    HE1  HIS  58           HE1      HIS  58   6.721 -19.825  11.199
  452    HE2  HIS  58           HE2      HIS  58   4.238 -19.700  11.610
  453    H    ASP  59           H        ASP  59   6.080 -16.015  12.623
  454    HA   ASP  59           HA       ASP  59   7.962 -16.539  13.779
  455   1HB   ASP  59          2HB       ASP  59   8.978 -15.930  11.190
  456   2HB   ASP  59          1HB       ASP  59  10.048 -15.190  12.377