*HEADER    SIGNALING PROTEIN                       12-SEP-05   2AZS              
*TITLE     NMR STRUCTURE OF THE N-TERMINAL SH3 DOMAIN OF DRK                     
*TITLE    2 (CALCULATED WITHOUT NOE RESTRAINTS)                                  
*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                                                      
*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    DROSOPHILA MELANOGASTER, SH3 FRAGMENT, DRK, NMR STRUCTURE             
*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 2AZS    0      
                                                      
Model 1
ATOM   1087  X   ANI   500      59.587 -40.903  81.006  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   1088  Y   ANI   500      59.596 -40.242  82.289  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   1089  Z   ANI   500      59.020 -41.498  82.099  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   1090 OO   ANI   500      58.901 -40.603  81.666  1.00  0.00        500 ANI   OO    500 ANI   OO
Model 2  
ATOM   2177  X   ANI   500     -29.748  37.581  98.238  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   2178  Y   ANI   500     -29.962  36.906  96.973  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   2179  Z   ANI   500     -29.148  36.242  97.987  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   2180 OO   ANI   500     -29.179  37.139  97.547  1.00  0.00        500 ANI   OO    500 ANI   OO  
Model 3
ATOM   3267  X   ANI   500     -93.629  51.459  21.349  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   3268  Y   ANI   500     -92.281  51.314  21.331  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   3269  Z   ANI   500     -93.051  51.954  20.246  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   3270 OO   ANI   500     -93.000  51.056  20.684  1.00  0.00        500 ANI   OO    500 ANI   OO  
Model 4
ATOM   4357  X   ANI   500     -71.556 -53.823  61.094  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   4358  Y   ANI   500     -71.401 -53.158  62.443  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   4359  Z   ANI   500     -72.073 -54.379  62.252  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   4360 OO   ANI   500     -72.130 -53.472  61.835  1.00  0.00        500 ANI   OO    500 ANI   OO  
Model 5
ATOM   5447  X   ANI   500      -7.175 -17.050 108.011  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   5448  Y   ANI   500      -5.894 -17.234 107.976  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   5449  Z   ANI   500      -6.610 -16.513 106.900  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   5450 OO   ANI   500      -6.594 -17.433 107.292  1.00  0.00        500 ANI   OO    500 ANI   OO  
Model 6
ATOM   6537  X   ANI   500     -95.660  29.261 -43.390  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   6538  Y   ANI   500     -95.840  28.639 -44.773  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   6539  Z   ANI   500     -95.021  27.957 -43.697  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   6540 OO   ANI   500     -95.113  28.857 -44.123  1.00  0.00        500 ANI   OO    500 ANI   OO 
Model 7
ATOM   7627  X   ANI   500     -27.909  65.282  83.057  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   7628  Y   ANI   500     -28.075  64.862  81.641  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   7629  Z   ANI   500     -27.218  64.106  82.683  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   7630 OO   ANI   500     -27.329  65.019  82.288  1.00  0.00        500 ANI   OO    500 ANI   OO  
Model 8
ATOM   8717  X   ANI   500     -41.481  99.381 -19.188  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   8718  Y   ANI   500     -40.135  99.273 -19.307  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   8719  Z   ANI   500     -40.943  99.985 -20.336  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   8720 OO   ANI   500     -40.888  99.071 -19.932  1.00  0.00        500 ANI   OO    500 ANI   OO  
Model 9
ATOM   9807  X   ANI   500     -77.326  60.163 -45.634  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   9808  Y   ANI   500     -78.690  60.354 -45.546  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   9809  Z   ANI   500     -78.001  61.499 -45.380  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   9810 OO   ANI   500     -77.919  60.597 -44.958  1.00  0.00        500 ANI   OO    500 ANI   OO  
Model 10
ATOM  10897  X   ANI   500     -87.105  14.498  64.693  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM  10898  Y   ANI   500     -85.740  14.386  64.610  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM  10899  Z   ANI   500     -86.548  14.970  63.533  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM  10900 OO   ANI   500     -86.490  14.095  64.015  1.00  0.00        500 ANI   OO    500 ANI   OO  

#
# RESIDUAL DIPOLAR COUPLING (RDC) CONSTRAINTS
#  N-HN RDC
#
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  ) 12.44 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name N  )
       ( resid   3 and name HN  )  6.15 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name N  )
       ( resid   4 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   5 and name N  )
       ( resid   5 and name HN  ) -6.84 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  )  0.86 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  ) -4.71 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  ) -11.09 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  ) -9.90 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name N  )
       ( resid  10 and name HN  ) -12.54 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  ) -5.74 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name N  )
       ( resid  12 and name HN  )  5.62 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  ) 10.56 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name N  )
       ( resid  14 and name HN  )  9.33 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  ) -5.16 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  ) 10.12 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  )  3.76 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name N  )
       ( resid  18 and name HN  ) -1.51 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  ) -12.55 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  ) -10.79 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name N  )
       ( resid  21 and name HN  ) -1.82 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  ) -1.69 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name N  )
       ( resid  23 and name HN  ) -0.06 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  24 and name N  )
       ( resid  24 and name HN  ) -3.24 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name N  )
       ( resid  26 and name HN  ) 12.83 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  ) 13.40 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  28 and name N  )
       ( resid  28 and name HN  )  0.74 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  ) -9.51 0.39

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  30 and name HN  ) -2.33 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  ) -5.17 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name N  )
       ( resid  32 and name HN  ) -4.65 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name N  )
       ( resid  33 and name HN  ) -0.71 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  ) -1.87 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name N  )
       ( resid  35 and name HN  )  5.45 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  ) -1.58 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  ) -4.59 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  38 and name N  )
       ( resid  38 and name HN  )  6.56 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  40 and name N  )
       ( resid  40 and name HN  ) 15.93 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  ) 12.74 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  42 and name N  )
       ( resid  42 and name HN  ) 14.81 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name N  )
       ( resid  44 and name HN  )  2.43 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  )  9.34 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  ) 15.64 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  )  0.63 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name N  )
       ( resid  50 and name HN  )  3.64 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  ) 12.15 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name N  )
       ( resid  52 and name HN  ) -1.87 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  53 and name N  )
       ( resid  53 and name HN  ) -1.28 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  54 and name N  )
       ( resid  54 and name HN  ) -2.74 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  55 and name N  )
       ( resid  55 and name HN  ) -6.97 0.39

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  56 and name HN  )  1.18 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  57 and name N  )
       ( resid  57 and name HN  ) -4.16 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  ) -1.25 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  59 and name N  )
       ( resid  59 and name HN  ) -0.51 0.39
#
#  N-CO RDC
#
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  ) -1.30 0.50

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  )  1.69 0.50

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  ) -10.98 0.50

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  )  5.69 0.50

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  ) -8.17 0.50

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  ) 13.95 0.50

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  )  4.10 0.50

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  ) -1.07 0.50

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  )  3.53 0.50

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  ) -7.99 0.50

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  ) -0.60 0.50

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  ) -9.32 0.50

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  ) -0.77 0.50

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  )  0.43 0.50

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  ) -9.50 0.50

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  ) 12.46 0.50

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  )  0.18 0.50

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  ) -3.61 0.50

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  )  9.04 0.50

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  ) -9.27 0.50

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  ) 11.29 0.50

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  ) 13.19 0.50

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  ) -6.72 0.50

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  )  8.32 0.50

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 N  )
       ( resid  27 and name C  ) 10.68 0.50

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  ) -7.33 0.50

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  )  5.93 0.50

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  ) -3.35 0.50

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  )  7.54 0.50

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  )  1.79 0.50

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  )  0.55 0.50

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  )  7.55 0.50

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  ) -7.61 0.50

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  )  0.58 0.50

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 N  )
       ( resid  37 and name C  ) -13.86 0.50

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 N  )
       ( resid  39 and name C  )  1.28 0.50

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  )  6.61 0.50

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  ) -3.29 0.50

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  ) -13.73 0.50

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  )  1.54 0.50

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  ) -6.24 0.50

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  )  8.26 0.50

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  )  0.76 0.50

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  ) -9.00 0.50

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  ) -2.25 0.50

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  )  1.27 0.50

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  53 and name C  )  9.90 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  55 and name N  )
       ( resid  54 and name C  )  0.64 0.50

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  ) -8.30 0.50

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  )  4.16 0.50

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  ) -3.62 0.50

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  ) -0.10 0.50
#
#  CO-CA RDC
#
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  ) -3.78 0.53

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 C  )
       ( resid   2 and name CA  ) -14.60 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name C  )
       ( resid   3 and name CA  ) -4.40 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  ) -3.76 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  ) -11.18 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name C  )
       ( resid   6 and name CA  ) -3.63 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name C  )
       ( resid   7 and name CA  )  2.50 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  ) -0.00 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name C  )
       ( resid   9 and name CA  ) -0.90 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  )  7.61 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name C  )
       ( resid  11 and name CA  )  6.22 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  )  0.87 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name C  )
       ( resid  13 and name CA  ) -10.69 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  ) -0.24 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  )  8.82 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  ) -0.21 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name C  )
       ( resid  17 and name CA  ) -3.11 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  )  5.53 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name C  )
       ( resid  19 and name CA  ) -6.92 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  )  7.71 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  ) -2.56 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  ) -18.19 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  ) -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  25 and name C  )
       ( resid  25 and name CA  ) -6.93 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  )  2.93 0.53

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 C  )
       ( resid  27 and name CA  ) -7.70 0.53

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 C  )
       ( resid  28 and name CA  )  6.17 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  ) -11.77 0.53

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 C  )
       ( resid  30 and name CA  ) -2.59 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name C  )
       ( resid  31 and name CA  ) -2.35 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  ) -8.55 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  )  7.00 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name C  )
       ( resid  34 and name CA  )  2.38 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  )  0.73 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  ) -17.58 0.53

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 C  )
       ( resid  37 and name CA  ) -3.94 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  )  7.79 0.53

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 C  )
       ( resid  39 and name CA  ) -3.38 0.53

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 C  )
       ( resid  40 and name CA  )  0.38 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  )  0.44 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  )  0.81 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  )  3.25 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  ) -12.67 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  46 and name C  )
       ( resid  46 and name CA  ) -6.11 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  ) -9.26 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  49 and name C  )
       ( resid  49 and name CA  ) 18.78 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  ) -2.05 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  )  0.11 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  ) -4.49 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  53 and name C  )
       ( resid  53 and name CA  )  5.10 0.53

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 C  )
       ( resid  54 and name CA  ) -8.49 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  55 and name C  )
       ( resid  55 and name CA  ) 10.62 0.53

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 C  )
       ( resid  56 and name CA  )  7.87 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  57 and name C  )
       ( resid  57 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  58 and name C  )
       ( resid  58 and name CA  )  2.47 0.53
#
#  CA-HA RDC
#
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  ) 12.33 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name CA  )
       ( resid   2 and name HA  ) 14.41 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name CA  )
       ( resid   3 and name HA  ) 12.52 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name CA  )
       ( resid   4 and name HA  ) -3.50 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  ) -0.68 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name CA  )
       ( resid   7 and name HA  ) -2.42 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name CA  )
       ( resid   8 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   9 and name CA  )
       ( resid   9 and name HA  ) -13.16 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  ) -13.06 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name CA  )
       ( resid  11 and name HA  )  3.45 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name CA  )
       ( resid  12 and name HA  )  1.96 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name CA  )
       ( resid  13 and name HA  ) 14.03 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  ) -0.43 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  ) -12.41 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name CA  )
       ( resid  16 and name HA  )  9.88 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name CA  )
       ( resid  17 and name HA  )  5.64 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name CA  )
       ( resid  18 and name HA  ) -10.62 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  ) -7.29 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name CA  )
       ( resid  21 and name HA  ) -0.31 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  25 and name CA  )
       ( resid  25 and name HA  )  2.41 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name CA  )
       ( resid  26 and name HA  ) 14.42 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  27 and name CA  )
       ( resid  27 and name HA  )  9.57 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  )  6.26 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  30 and name CA  )
       ( resid  30 and name HA  ) -0.36 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  ) -3.11 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  )  2.22 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  ) -3.28 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  ) -2.04 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name CA  )
       ( resid  35 and name HA  )  7.76 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name CA  )
       ( resid  36 and name HA  ) -2.55 0.30

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 CA  )
       ( resid  37 and name HA  ) -2.37 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  )  7.05 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  39 and name CA  )
       ( resid  39 and name HA  )  6.10 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  40 and name CA  )
       ( resid  40 and name HA  ) 15.75 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name CA  )
       ( resid  44 and name HA  )  0.53 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name CA  )
       ( resid  47 and name HA  )  7.24 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  )  0.49 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name CA  )
       ( resid  50 and name HA  ) -8.74 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name CA  )
       ( resid  51 and name HA  ) 13.60 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name CA  )
       ( resid  52 and name HA  ) -10.94 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  53 and name CA  )
       ( resid  53 and name HA  ) -3.40 0.30

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 CA  )
       ( resid  54 and name HA  ) -3.21 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  55 and name CA  )
       ( resid  55 and name HA  )  1.43 0.30

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 CA  )
       ( resid  56 and name HA  ) -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  57 and name CA  )
       ( resid  57 and name HA  ) -2.27 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name CA  )
       ( resid  58 and name HA  ) -2.09 0.30
#
#  CA-CB RDC
#
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  ) -0.25 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name CA  )
       ( resid   2 and name CB  )  1.00 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name CA  )
       ( resid   3 and name CB  )  5.79 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  ) 11.68 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name CA  )
       ( resid   5 and name CB  ) 12.75 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name CA  )
       ( resid   7 and name CB  ) -0.16 0.30

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 CA  )
       ( resid   8 and name CB  )  2.95 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name CA  )
       ( resid   9 and name CB  ) -1.24 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  )  7.68 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name CA  )
       ( resid  11 and name CB  ) -14.30 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name CA  )
       ( resid  12 and name CB  ) -9.10 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name CA  )
       ( resid  13 and name CB  )  2.46 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name CA  )
       ( resid  14 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  15 and name CA  )
       ( resid  15 and name CB  ) -2.24 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  ) -16.95 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name CA  )
       ( resid  17 and name CB  )  7.10 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name CA  )
       ( resid  18 and name CB  )  7.61 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  )  9.39 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  ) -9.45 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name CA  )
       ( resid  22 and name CB  )  1.11 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  )  7.68 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  25 and name CA  )
       ( resid  25 and name CB  ) -4.81 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  ) -6.09 0.30

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 CA  )
       ( resid  27 and name CB  ) -0.86 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  )  9.92 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  30 and name CA  )
       ( resid  30 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  31 and name CA  )
       ( resid  31 and name CB  ) -0.31 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name CA  )
       ( resid  32 and name CB  )  4.66 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name CA  )
       ( resid  33 and name CB  )  7.45 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name CA  )
       ( resid  34 and name CB  ) -2.38 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  ) -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  36 and name CA  )
       ( resid  36 and name CB  ) 17.19 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  37 and name CA  )
       ( resid  37 and name CB  ) 15.91 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  ) -5.41 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  39 and name CA  )
       ( resid  39 and name CB  ) -8.67 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  ) -12.07 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  ) -4.22 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  )  3.53 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  49 and name CA  )
       ( resid  49 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  50 and name CA  )
       ( resid  50 and name CB  )  0.17 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  ) -8.14 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name CA  )
       ( resid  52 and name CB  ) 13.64 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  53 and name CA  )
       ( resid  53 and name CB  ) -10.35 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  54 and name CA  )
       ( resid  54 and name CB  )  2.22 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  55 and name CA  )
       ( resid  55 and name CB  )  0.13 0.30

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 CA  )
       ( resid  56 and name CB  ) -4.31 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  57 and name CA  )
       ( resid  57 and name CB  ) -2.25 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name CA  )
       ( resid  58 and name CB  ) -4.60 0.30
#
# Carbonyl chemical shift anisotropy constraints
#
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 N  )
       ( resid   0 and name C  )
       ( resid   0 and name O  ) 73.333 73.333 40 39.11 10

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 -20.84 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 -35.70 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  9.12 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 -71.60 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 14.86 10

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  )
       ( resid   6 and name O  ) 73.333 73.333 40 53.11 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 -16.46 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 39.64 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 -58.15 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 12.04 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  2.05 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 -18.69 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 31.08 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 23.72 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 47.93 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 -60.40 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 17.35 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 -29.43 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 11.52 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 20.03 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 -11.74 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 -51.08 10

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  24 and name C  )
       ( resid  24 and name O  ) 73.333 73.333 40 -17.67 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 29.49 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  5.53 10

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 N  )
       ( resid  27 and name C  )
       ( resid  27 and name O  ) 73.333 73.333 40 -47.32 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 -31.22 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 -16.38 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 23.29 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 -34.16 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 10.52 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 20.01 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 -45.17 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 -43.93 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 -54.56 10

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 N  )
       ( resid  37 and name C  )
       ( resid  37 and name O  ) 73.333 73.333 40 34.57 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 -3.26 10

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 N  )
       ( resid  39 and name C  )
       ( resid  39 and name O  ) 73.333 73.333 40 42.76 10

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  )
       ( resid  40 and name O  ) 73.333 73.333 40 15.20 10

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  42 and name C  )
       ( resid  42 and name O  ) 73.333 73.333 40 -21.45 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 -0.97 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 14.67 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 -12.35 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 -9.91 10

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 N  )
       ( resid  48 and name C  )
       ( resid  48 and name O  ) 73.333 73.333 40 70.92 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 -39.03 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 -20.93 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 -2.35 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 60.78 10

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  53 and name C  )
       ( resid  53 and name O  ) 73.333 73.333 40 -46.48 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  55 and name N  )
       ( resid  54 and name C  )
       ( resid  54 and name O  ) 73.333 73.333 40 -8.85 10

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  )
       ( resid  55 and name O  ) 73.333 73.333 40 12.52 10

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  )
       ( resid  56 and name O  ) 73.333 73.333 40 -16.45 10

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  )
       ( resid  57 and name O  ) 73.333 73.333 40 22.51 10

#
# Hydrogen bond constraints
#
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


#
# backbone dihedral angle constraints 
#
assign ( resid 1 and name C) ( resid 2 and name N)
       ( resid 2 and name CA) ( resid 2 and name C) 1.0 -136.00  32.00 2
 assign ( resid 2 and name N) ( resid 2 and name CA)
       ( resid 2 and name C) ( resid 3 and name N) 1.0 151.00  28.00 2

assign ( resid 2 and name C) ( resid 3 and name N)
       ( resid 3 and name CA) ( resid 3 and name C) 1.0 -141.00  38.00 2
 assign ( resid 3 and name N) ( resid 3 and name CA)
       ( resid 3 and name C) ( resid 4 and name N) 1.0 146.00  38.00 2

assign ( resid 3 and name C) ( resid 4 and name N)
       ( resid 4 and name CA) ( resid 4 and name C) 1.0 -127.00  38.00 2
 assign ( resid 4 and name N) ( resid 4 and name CA)
       ( resid 4 and name C) ( resid 5 and name N) 1.0 131.00  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 -109.00  62.00 2
 assign ( resid 5 and name N) ( resid 5 and name CA)
       ( resid 5 and name C) ( resid 6 and name N) 1.0 133.00  30.00 2

assign ( resid 5 and name C) ( resid 6 and name N)
       ( resid 6 and name CA) ( resid 6 and name C) 1.0 -92.00  36.00 2
 assign ( resid 6 and name N) ( resid 6 and name CA)
       ( resid 6 and name C) ( resid 7 and name N) 1.0 138.00  30.00 2

assign ( resid 6 and name C) ( resid 7 and name N)
       ( resid 7 and name CA) ( resid 7 and name C) 1.0 -126.00  30.00 2
 assign ( resid 7 and name N) ( resid 7 and name CA)
       ( resid 7 and name C) ( resid 8 and name N) 1.0 140.00  28.00 2

assign ( resid 7 and name C) ( resid 8 and name N)
       ( resid 8 and name CA) ( resid 8 and name C) 1.0 -86.00  32.00 2
 assign ( resid 8 and name N) ( resid 8 and name CA)
       ( resid 8 and name C) ( resid 9 and name N) 1.0 129.00  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 -127.00  38.00 2
 assign ( resid 9 and name N) ( resid 9 and name CA)
       ( resid 9 and name C) ( resid 10 and name N) 1.0 136.00  22.00 2

assign ( resid 10 and name C) ( resid 11 and name N)
       ( resid 11 and name CA) ( resid 11 and name C) 1.0 -105.00  82.00 2
 assign ( resid 11 and name N) ( resid 11 and name CA)
       ( resid 11 and name C) ( resid 12 and name N) 1.0 150.00  20.00 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  68.00 2
 assign ( resid 13 and name N) ( resid 13 and name CA)
       ( resid 13 and name C) ( resid 14 and name N) 1.0 163.00  46.00 2

assign ( resid 16 and name C) ( resid 17 and name N)
       ( resid 17 and name CA) ( resid 17 and name C) 1.0 -129.00  50.00 2
 assign ( resid 17 and name N) ( resid 17 and name CA)
       ( resid 17 and name C) ( resid 18 and name N) 1.0 144.00  26.00 2

assign ( resid 19 and name C) ( resid 20 and name N)
       ( resid 20 and name CA) ( resid 20 and name C) 1.0 -123.00  42.00 2
 assign ( resid 20 and name N) ( resid 20 and name CA)
       ( resid 20 and name C) ( resid 21 and name N) 1.0 156.00  30.00 2

assign ( resid 24 and name C) ( resid 25 and name N)
       ( resid 25 and name CA) ( resid 25 and name C) 1.0 -107.00  30.00 2
 assign ( resid 25 and name N) ( resid 25 and name CA)
       ( resid 25 and name C) ( resid 26 and name N) 1.0 134.00  30.00 2

assign ( resid 25 and name C) ( resid 26 and name N)
       ( resid 26 and name CA) ( resid 26 and name C) 1.0 -89.00  20.00 2
 assign ( resid 26 and name N) ( resid 26 and name CA)
       ( resid 26 and name C) ( resid 27 and name N) 1.0 117.00  16.00 2

assign ( resid 28 and name C) ( resid 29 and name N)
       ( resid 29 and name CA) ( resid 29 and name C) 1.0 -119.00  32.00 2
 assign ( resid 29 and name N) ( resid 29 and name CA)
       ( resid 29 and name C) ( resid 30 and name N) 1.0 148.00  30.00 2

assign ( resid 29 and name C) ( resid 30 and name N)
       ( resid 30 and name CA) ( resid 30 and name C) 1.0 -91.00  28.00 2
 assign ( resid 30 and name N) ( resid 30 and name CA)
       ( resid 30 and name C) ( resid 31 and name N) 1.0 138.00  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 -64.00  16.00 2
 assign ( resid 32 and name N) ( resid 32 and name CA)
       ( resid 32 and name C) ( resid 33 and name N) 1.0 -23.00  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 -107.00  38.00 2
 assign ( resid 36 and name N) ( resid 36 and name CA)
       ( resid 36 and name C) ( resid 37 and name N) 1.0 146.00  38.00 2

assign ( resid 36 and name C) ( resid 37 and name N)
       ( resid 37 and name CA) ( resid 37 and name C) 1.0 -123.00  32.00 2
 assign ( resid 37 and name N) ( resid 37 and name CA)
       ( resid 37 and name C) ( resid 38 and name N) 1.0 126.00  26.00 2

assign ( resid 38 and name C) ( resid 39 and name N)
       ( resid 39 and name CA) ( resid 39 and name C) 1.0 -139.00  30.00 2
 assign ( resid 39 and name N) ( resid 39 and name CA)
       ( resid 39 and name C) ( resid 40 and name N) 1.0 152.00  18.00 2

assign ( resid 39 and name C) ( resid 40 and name N)
       ( resid 40 and name CA) ( resid 40 and name C) 1.0 -126.00  38.00 2
 assign ( resid 40 and name N) ( resid 40 and name CA)
       ( resid 40 and name C) ( resid 41 and name N) 1.0 134.00  36.00 2

assign ( resid 40 and name C) ( resid 41 and name N)
       ( resid 41 and name CA) ( resid 41 and name C) 1.0 -106.00  68.00 2
 assign ( resid 41 and name N) ( resid 41 and name CA)
       ( resid 41 and name C) ( resid 42 and name N) 1.0 122.00  24.00 2

assign ( resid 49 and name C) ( resid 50 and name N)
       ( resid 50 and name CA) ( resid 50 and name C) 1.0 -71.00  18.00 2
 assign ( resid 50 and name N) ( resid 50 and name CA)
       ( resid 50 and name C) ( resid 51 and name N) 1.0 -22.00  22.00 2

assign ( resid 50 and name C) ( resid 51 and name N)
       ( resid 51 and name CA) ( resid 51 and name C) 1.0 -78.00  36.00 2
 assign ( resid 51 and name N) ( resid 51 and name CA)
       ( resid 51 and name C) ( resid 52 and name N) 1.0 -22.00  40.00 2

assign ( resid 44 and name C) ( resid 45 and name N)
       ( resid 45 and name CA) ( resid 45 and name C) 1.0 -134.00  46.00 2
 assign ( resid 45 and name N) ( resid 45 and name CA)
       ( resid 45 and name C) ( resid 46 and name N) 1.0 147.00  42.00 2

assign ( resid 52 and name C) ( resid 53 and name N)
       ( resid 53 and name CA) ( resid 53 and name C) 1.0 -128.00  34.00 2
 assign ( resid 53 and name N) ( resid 53 and name CA)
       ( resid 53 and name C) ( resid 54 and name N) 1.0 141.00  22.00 2

assign ( resid 53 and name C) ( resid 54 and name N)
       ( resid 54 and name CA) ( resid 54 and name C) 1.0 -127.00  34.00 2
 assign ( resid 54 and name N) ( resid 54 and name CA)
       ( resid 54 and name C) ( resid 55 and name N) 1.0 127.00  36.00 2

assign ( resid 54 and name C) ( resid 55 and name N)
       ( resid 55 and name CA) ( resid 55 and name C) 1.0 -80.00  30.00 2
 assign ( resid 55 and name N) ( resid 55 and name CA)
       ( resid 55 and name C) ( resid 56 and name N) 1.0 136.00  24.00 2

# 
#  HNHA J-couplings constraints
#
assign ( resid   1 and name C   ) ( resid   2 and name N  )
       ( resid   2 and name CA  ) ( resid   2 and name C  )      9.31   1.00
 
assign ( resid   2 and name C   ) ( resid   3 and name N  )
       ( resid   3 and name CA  ) ( resid   3 and name C  )      9.04   1.00
 
assign ( resid   3 and name C   ) ( resid   4 and name N  )
       ( resid   4 and name CA  ) ( resid   4 and name C  )      9.72   1.00
 
assign ( resid   4 and name C   ) ( resid   5 and name N  )
       ( resid   5 and name CA  ) ( resid   5 and name C  )      4.94   1.00
 
assign ( resid   5 and name C   ) ( resid   6 and name N  )
       ( resid   6 and name CA  ) ( resid   6 and name C  )      8.39   1.00
 
assign ( resid   6 and name C   ) ( resid   7 and name N  )
       ( resid   7 and name CA  ) ( resid   7 and name C  )      7.98   1.00
 
assign ( resid   7 and name C   ) ( resid   8 and name N  )
       ( resid   8 and name CA  ) ( resid   8 and name C  )      5.20   1.00
 
assign ( resid   8 and name C   ) ( resid   9 and name N  )
       ( resid   9 and name CA  ) ( resid   9 and name C  )      8.74   1.00
 
assign ( resid   9 and name C   ) ( resid  10 and name N  )
       ( resid  10 and name CA  ) ( resid  10 and name C  )      9.93   1.00
 
assign ( resid  11 and name C   ) ( resid  12 and name N  )
       ( resid  12 and name CA  ) ( resid  12 and name C  )      9.89   1.00
 
assign ( resid  12 and name C   ) ( resid  13 and name N  )
       ( resid  13 and name CA  ) ( resid  13 and name C  )      6.85   1.00
 
assign ( resid  13 and name C   ) ( resid  14 and name N  )
       ( resid  14 and name CA  ) ( resid  14 and name C  )      3.37   1.00
 
assign ( resid  14 and name C   ) ( resid  15 and name N  )
       ( resid  15 and name CA  ) ( resid  15 and name C  )      8.56   1.00
 
assign ( resid  15 and name C   ) ( resid  16 and name N  )
       ( resid  16 and name CA  ) ( resid  16 and name C  )      8.93   1.00
 
assign ( resid  16 and name C   ) ( resid  17 and name N  )
       ( resid  17 and name CA  ) ( resid  17 and name C  )      8.06   1.00
 
assign ( resid  17 and name C   ) ( resid  18 and name N  )
       ( resid  18 and name CA  ) ( resid  18 and name C  )      6.97   1.00
 
assign ( resid  18 and name C   ) ( resid  19 and name N  )
       ( resid  19 and name CA  ) ( resid  19 and name C  )      6.16   1.00
 
assign ( resid  19 and name C   ) ( resid  20 and name N  )
       ( resid  20 and name CA  ) ( resid  20 and name C  )      9.69   1.00
 
assign ( resid  21 and name C   ) ( resid  22 and name N  )
       ( resid  22 and name CA  ) ( resid  22 and name C  )      6.74   1.00
 
assign ( resid  22 and name C   ) ( resid  23 and name N  )
       ( resid  23 and name CA  ) ( resid  23 and name C  )      5.18   1.00
 
assign ( resid  23 and name C   ) ( resid  24 and name N  )
       ( resid  24 and name CA  ) ( resid  24 and name C  )      8.71   1.00
 
assign ( resid  24 and name C   ) ( resid  25 and name N  )
       ( resid  25 and name CA  ) ( resid  25 and name C  )      9.64   1.00
 
assign ( resid  25 and name C   ) ( resid  26 and name N  )
       ( resid  26 and name CA  ) ( resid  26 and name C  )      8.80   1.00
 
assign ( resid  26 and name C   ) ( resid  27 and name N  )
       ( resid  27 and name CA  ) ( resid  27 and name C  )      9.41   1.00
 
assign ( resid  27 and name C   ) ( resid  28 and name N  )
       ( resid  28 and name CA  ) ( resid  28 and name C  )      9.23   1.00
 
assign ( resid  28 and name C   ) ( resid  29 and name N  )
       ( resid  29 and name CA  ) ( resid  29 and name C  )      7.01   1.00
 
assign ( resid  29 and name C   ) ( resid  30 and name N  )
       ( resid  30 and name CA  ) ( resid  30 and name C  )      8.98   1.00
 
assign ( resid  30 and name C   ) ( resid  31 and name N  )
       ( resid  31 and name CA  ) ( resid  31 and name C  )      8.09   1.00
 
assign ( resid  31 and name C   ) ( resid  32 and name N  )
       ( resid  32 and name CA  ) ( resid  32 and name C  )      5.04   1.00
 
assign ( resid  32 and name C   ) ( resid  33 and name N  )
       ( resid  33 and name CA  ) ( resid  33 and name C  )      8.29   1.00
 
assign ( resid  33 and name C   ) ( resid  34 and name N  )
       ( resid  34 and name CA  ) ( resid  34 and name C  )      6.68   1.00
 
assign ( resid  34 and name C   ) ( resid  35 and name N  )
       ( resid  35 and name CA  ) ( resid  35 and name C  )      8.61   1.00
 
assign ( resid  35 and name C   ) ( resid  36 and name N  )
       ( resid  36 and name CA  ) ( resid  36 and name C  )      9.21   1.00
 
assign ( resid  36 and name C   ) ( resid  37 and name N  )
       ( resid  37 and name CA  ) ( resid  37 and name C  )      9.67   1.00
 
assign ( resid  37 and name C   ) ( resid  38 and name N  )
       ( resid  38 and name CA  ) ( resid  38 and name C  )      8.94   1.00
 
assign ( resid  38 and name C   ) ( resid  39 and name N  )
       ( resid  39 and name CA  ) ( resid  39 and name C  )      9.64   1.00
 
assign ( resid  39 and name C   ) ( resid  40 and name N  )
       ( resid  40 and name CA  ) ( resid  40 and name C  )      9.25   1.00
 
assign ( resid  40 and name C   ) ( resid  41 and name N  )
       ( resid  41 and name CA  ) ( resid  41 and name C  )      8.01   1.00
 
assign ( resid  41 and name C   ) ( resid  42 and name N  )
       ( resid  42 and name CA  ) ( resid  42 and name C  )      6.58   1.00
 
assign ( resid  43 and name C   ) ( resid  44 and name N  )
       ( resid  44 and name CA  ) ( resid  44 and name C  )      9.69   1.00
 
assign ( resid  44 and name C   ) ( resid  45 and name N  )
       ( resid  45 and name CA  ) ( resid  45 and name C  )      9.30   1.00
 
assign ( resid  47 and name C   ) ( resid  48 and name N  )
       ( resid  48 and name CA  ) ( resid  48 and name C  )      9.54   1.00
 
assign ( resid  49 and name C   ) ( resid  50 and name N  )
       ( resid  50 and name CA  ) ( resid  50 and name C  )      3.11   1.00
 
assign ( resid  50 and name C   ) ( resid  51 and name N  )
       ( resid  51 and name CA  ) ( resid  51 and name C  )      6.36   1.00
 
assign ( resid  51 and name C   ) ( resid  52 and name N  )
       ( resid  52 and name CA  ) ( resid  52 and name C  )      8.76   1.00
 
assign ( resid  52 and name C   ) ( resid  53 and name N  )
       ( resid  53 and name CA  ) ( resid  53 and name C  )      9.68   1.00
 
assign ( resid  53 and name C   ) ( resid  54 and name N  )
       ( resid  54 and name CA  ) ( resid  54 and name C  )      9.77   1.00
 
assign ( resid  54 and name C   ) ( resid  55 and name N  )
       ( resid  55 and name CA  ) ( resid  55 and name C  )      5.68   1.00
 
assign ( resid  55 and name C   ) ( resid  56 and name N  )
       ( resid  56 and name CA  ) ( resid  56 and name C  )      7.30   1.00
 
assign ( resid  56 and name C   ) ( resid  57 and name N  )
       ( resid  57 and name CA  ) ( resid  57 and name C  )      7.45   1.00
 
assign ( resid  57 and name C   ) ( resid  58 and name N  )
       ( resid  58 and name CA  ) ( resid  58 and name C  )      7.77   1.00
 
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)
       5.610 0.5
       5.830 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)
       4.120 0.5
       2.520 0.5

#
#               COHA J-couplings constraints
#
assign ( resid   1 and name C   ) ( resid   2 and name N  )
       ( resid   2 and name CA  ) ( resid   2 and name C  )      2.6462 1.00
 
assign ( resid   2 and name C   ) ( resid   3 and name N  )
       ( resid   3 and name CA  ) ( resid   3 and name C  )      2.1962 1.00
 
assign ( resid   3 and name C   ) ( resid   4 and name N  )
       ( resid   4 and name CA  ) ( resid   4 and name C  )      2.2621 1.00
 
assign ( resid   5 and name C   ) ( resid   6 and name N  )
       ( resid   6 and name CA  ) ( resid   6 and name C  )      2.0938 1.00
 
assign ( resid   9 and name C   ) ( resid  10 and name N  )
       ( resid  10 and name CA  ) ( resid  10 and name C  )      2.9825 1.00
 
assign ( resid  10 and name C   ) ( resid  11 and name N  )
       ( resid  11 and name CA  ) ( resid  11 and name C  )      1.5958 1.00
                                                                                      
           
assign ( resid  11 and name C   ) ( resid  12 and name N  )
       ( resid  12 and name CA  ) ( resid  12 and name C  )      2.6621 1.00
 
assign ( resid  13 and name C   ) ( resid  14 and name N  )
       ( resid  14 and name CA  ) ( resid  14 and name C  )      1.8095 1.00
 
assign ( resid  14 and name C   ) ( resid  15 and name N  )
       ( resid  15 and name CA  ) ( resid  15 and name C  )      2.5203 1.00
 
assign ( resid  15 and name C   ) ( resid  16 and name N  )
       ( resid  16 and name CA  ) ( resid  16 and name C  )      1.8126 1.00
 
assign ( resid  16 and name C   ) ( resid  17 and name N  )
       ( resid  17 and name CA  ) ( resid  17 and name C  )      2.3401 1.00
 
assign ( resid  18 and name C   ) ( resid  19 and name N  )
       ( resid  19 and name CA  ) ( resid  19 and name C  )      1.4332 1.00
 
assign ( resid  21 and name C   ) ( resid  22 and name N  )
       ( resid  22 and name CA  ) ( resid  22 and name C  )      4.7207 1.00
 
assign ( resid  26 and name C   ) ( resid  27 and name N  )
       ( resid  27 and name CA  ) ( resid  27 and name C  )      1.8183 1.00
 
assign ( resid  27 and name C   ) ( resid  28 and name N  )
       ( resid  28 and name CA  ) ( resid  28 and name C  )      2.5793 1.00
 
assign ( resid  29 and name C   ) ( resid  30 and name N  )
       ( resid  30 and name CA  ) ( resid  30 and name C  )      2.6420 1.00
 
assign ( resid  32 and name C   ) ( resid  33 and name N  )
       ( resid  33 and name CA  ) ( resid  33 and name C  )      2.6341 1.00
 
assign ( resid  35 and name C   ) ( resid  36 and name N  )
       ( resid  36 and name CA  ) ( resid  36 and name C  )      2.2409 1.00
 
assign ( resid  37 and name C   ) ( resid  38 and name N  )
       ( resid  38 and name CA  ) ( resid  38 and name C  )      1.7217 1.00
 
assign ( resid  38 and name C   ) ( resid  39 and name N  )
       ( resid  39 and name CA  ) ( resid  39 and name C  )      2.1358 1.00
 
assign ( resid  40 and name C   ) ( resid  41 and name N  )
       ( resid  41 and name CA  ) ( resid  41 and name C  )      1.9771 1.00
 
assign ( resid  41 and name C   ) ( resid  42 and name N  )
       ( resid  42 and name CA  ) ( resid  42 and name C  )      5.5121 1.00
 
assign ( resid  43 and name C   ) ( resid  44 and name N  )
       ( resid  44 and name CA  ) ( resid  44 and name C  )      1.9366 1.00
 
assign ( resid  44 and name C   ) ( resid  45 and name N  )
       ( resid  45 and name CA  ) ( resid  45 and name C  )      2.4098 1.00
 
assign ( resid  46 and name C   ) ( resid  47 and name N  )
       ( resid  47 and name CA  ) ( resid  47 and name C  )      1.6115   1.00
                                                                                      
           
assign ( resid  47 and name C   ) ( resid  48 and name N  )
       ( resid  48 and name CA  ) ( resid  48 and name C  )      2.3431 1.00
 
assign ( resid  52 and name C   ) ( resid  53 and name N  )
       ( resid  53 and name CA  ) ( resid  53 and name C  )      2.2760 1.00
 
assign ( resid  53 and name C   ) ( resid  54 and name N  )
       ( resid  54 and name CA  ) ( resid  54 and name C  )      2.4870 1.00
 
assign ( resid  55 and name C   ) ( resid  56 and name N  )
       ( resid  56 and name CA  ) ( resid  56 and name C  )      2.3402 1.00
 
assign ( resid  56 and name C   ) ( resid  57 and name N  )
       ( resid  57 and name CA  ) ( resid  57 and name C  )      2.3499 1.00
 
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)
       4.3825 1.0
       2.1197 1.0
 
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)
       1.1771 1.0
       1.3410 1.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1  -4.774 -11.938  -4.001
    2   2H    MET   1          2H        MET   1  -4.732 -10.612  -5.084
    3   3H    MET   1          3H        MET   1  -5.605 -10.492  -3.611
    4    HA   MET   1           HA       MET   1  -3.092 -11.197  -2.858
    5   1HB   MET   1          2HB       MET   1  -3.047  -9.224  -5.129
    6   2HB   MET   1          1HB       MET   1  -1.755  -9.368  -3.946
    7   1HG   MET   1          2HG       MET   1  -1.395 -11.686  -4.592
    8   2HG   MET   1          1HG       MET   1  -2.721 -11.575  -5.748
    9   1HE   MET   1          1HE       MET   1  -1.613 -11.953  -8.148
   10   2HE   MET   1          2HE       MET   1  -0.539 -12.755  -7.005
   11   3HE   MET   1          3HE       MET   1   0.133 -11.746  -8.290
   12    H    GLU   2           H        GLU   2  -2.783 -10.250  -1.011
   13    HA   GLU   2           HA       GLU   2  -3.996  -7.614  -0.581
   14   1HB   GLU   2          2HB       GLU   2  -4.854 -10.064   0.596
   15   2HB   GLU   2          1HB       GLU   2  -4.216  -9.028   1.863
   16   1HG   GLU   2          2HG       GLU   2  -5.697  -7.206   0.769
   17   2HG   GLU   2          1HG       GLU   2  -6.530  -8.574   0.033
   18    H    ALA   3           H        ALA   3  -2.976  -6.264   0.841
   19    HA   ALA   3           HA       ALA   3  -0.527  -7.125   2.227
   20   1HB   ALA   3          1HB       ALA   3   0.802  -5.405   1.299
   21   2HB   ALA   3          2HB       ALA   3  -0.582  -4.662   0.496
   22   3HB   ALA   3          3HB       ALA   3   0.033  -6.219  -0.062
   23    H    ILE   4           H        ILE   4  -0.118  -5.900   4.138
   24    HA   ILE   4           HA       ILE   4  -2.319  -4.059   4.831
   25    HB   ILE   4           HB       ILE   4  -2.064  -6.024   6.291
   26   1HG1  ILE   4          2HG1      ILE   4  -1.205  -3.828   8.082
   27   2HG1  ILE   4          1HG1      ILE   4  -2.573  -3.471   7.032
   28   1HG2  ILE   4          1HG2      ILE   4   0.687  -5.414   6.092
   29   2HG2  ILE   4          2HG2      ILE   4  -0.081  -6.762   6.932
   30   3HG2  ILE   4          3HG2      ILE   4   0.232  -5.254   7.788
   31   1HD1  ILE   4          1HD1      ILE   4  -3.884  -5.148   7.981
   32   2HD1  ILE   4          2HD1      ILE   4  -3.073  -4.379   9.346
   33   3HD1  ILE   4          3HD1      ILE   4  -2.496  -5.929   8.735
   34    H    ALA   5           H        ALA   5  -1.744  -2.102   6.134
   35    HA   ALA   5           HA       ALA   5   1.060  -1.279   5.917
   36   1HB   ALA   5          1HB       ALA   5   0.545   0.792   4.813
   37   2HB   ALA   5          2HB       ALA   5  -1.182   0.454   4.908
   38   3HB   ALA   5          3HB       ALA   5  -0.151  -0.525   3.863
   39    H    LYS   6           H        LYS   6   1.446  -0.837   8.148
   40    HA   LYS   6           HA       LYS   6  -0.692   0.779   9.391
   41   1HB   LYS   6          2HB       LYS   6   0.711   0.185  11.539
   42   2HB   LYS   6          1HB       LYS   6  -0.469  -0.935  10.870
   43   1HG   LYS   6          2HG       LYS   6   1.824  -1.597   9.523
   44   2HG   LYS   6          1HG       LYS   6   2.422  -1.171  11.124
   45   1HD   LYS   6          2HD       LYS   6   0.079  -2.784  11.387
   46   2HD   LYS   6          1HD       LYS   6   1.209  -3.579  10.289
   47   1HE   LYS   6          2HE       LYS   6   2.898  -3.658  11.900
   48   2HE   LYS   6          1HE       LYS   6   2.114  -2.450  12.913
   49   1HZ   LYS   6          1HZ       LYS   6   1.990  -5.055  13.393
   50   2HZ   LYS   6          2HZ       LYS   6   0.612  -4.892  12.428
   51   3HZ   LYS   6          3HZ       LYS   6   0.765  -3.978  13.843
   52    H    HIS   7           H        HIS   7  -0.296   2.844   8.884
   53    HA   HIS   7           HA       HIS   7   1.446   4.171  10.530
   54   1HB   HIS   7          2HB       HIS   7   2.471   3.606   7.903
   55   2HB   HIS   7          1HB       HIS   7   2.227   5.340   8.056
   56    HD1  HIS   7           HD1      HIS   7   4.188   6.528   8.936
   57    HD2  HIS   7           HD2      HIS   7   4.013   2.620  10.329
   58    HE1  HIS   7           HE1      HIS   7   6.282   6.201  10.292
   59    HE2  HIS   7           HE2      HIS   7   6.082   3.872  11.227
   60    H    ASP   8           H        ASP   8  -0.032   5.956  11.096
   61    HA   ASP   8           HA       ASP   8  -2.030   6.633   9.031
   62   1HB   ASP   8          2HB       ASP   8  -2.168   6.520  11.858
   63   2HB   ASP   8          1HB       ASP   8  -2.198   8.235  11.462
   64    H    PHE   9           H        PHE   9  -1.083   7.764   7.559
   65    HA   PHE   9           HA       PHE   9   0.252  10.311   8.269
   66   1HB   PHE   9          2HB       PHE   9   1.232   8.070   6.750
   67   2HB   PHE   9          1HB       PHE   9   1.166   9.501   5.729
   68    HD1  PHE   9           HD1      PHE   9   2.447   8.252   8.972
   69    HD2  PHE   9           HD2      PHE   9   2.843  11.097   5.834
   70    HE1  PHE   9           HE1      PHE   9   4.579   9.007   9.932
   71    HE2  PHE   9           HE2      PHE   9   4.980  11.860   6.789
   72    HZ   PHE   9           HZ       PHE   9   5.849  10.815   8.838
   73    H    SER  10           H        SER  10   0.238  11.940   6.684
   74    HA   SER  10           HA       SER  10  -2.022  11.754   4.826
   75   1HB   SER  10          2HB       SER  10  -2.494  13.269   6.814
   76   2HB   SER  10          1HB       SER  10  -1.243  14.341   6.187
   77    HG   SER  10           HG       SER  10  -3.386  13.490   4.561
   78    H    ALA  11           H        ALA  11  -0.884  11.336   3.031
   79    HA   ALA  11           HA       ALA  11   1.401  11.793   1.929
   80   1HB   ALA  11          1HB       ALA  11  -1.282  12.290   0.729
   81   2HB   ALA  11          2HB       ALA  11  -0.198  10.918   0.522
   82   3HB   ALA  11          3HB       ALA  11   0.184  12.466  -0.233
   83    H    THR  12           H        THR  12   2.413  13.269   0.493
   84    HA   THR  12           HA       THR  12   2.145  16.062   1.361
   85    HB   THR  12           HB       THR  12   4.364  15.209   1.748
   86    HG1  THR  12           HG1      THR  12   4.021  17.077  -0.263
   87   1HG2  THR  12          1HG2      THR  12   4.110  13.947  -0.877
   88   2HG2  THR  12          2HG2      THR  12   5.052  13.475   0.533
   89   3HG2  THR  12          3HG2      THR  12   5.667  14.709  -0.564
   90    H    ALA  13           H        ALA  13   3.043  14.428  -1.723
   91    HA   ALA  13           HA       ALA  13   1.819  16.601  -3.189
   92   1HB   ALA  13          1HB       ALA  13   3.683  16.041  -4.363
   93   2HB   ALA  13          2HB       ALA  13   2.576  14.897  -5.119
   94   3HB   ALA  13          3HB       ALA  13   3.646  14.361  -3.823
   95    H    ASP  14           H        ASP  14   0.283  16.126  -4.894
   96    HA   ASP  14           HA       ASP  14  -1.963  14.720  -3.954
   97   1HB   ASP  14          2HB       ASP  14  -1.618  16.594  -5.871
   98   2HB   ASP  14          1HB       ASP  14  -1.895  15.163  -6.861
   99    H    ASP  15           H        ASP  15   0.648  13.701  -6.104
  100    HA   ASP  15           HA       ASP  15  -0.808  11.259  -6.752
  101   1HB   ASP  15          2HB       ASP  15   1.542  10.671  -7.815
  102   2HB   ASP  15          1HB       ASP  15   0.444  11.788  -8.625
  103    H    GLU  16           H        GLU  16   0.275  12.181  -4.036
  104    HA   GLU  16           HA       GLU  16   1.676   9.699  -3.292
  105   1HB   GLU  16          2HB       GLU  16   2.147  12.416  -2.604
  106   2HB   GLU  16          1HB       GLU  16   1.495  11.638  -1.173
  107   1HG   GLU  16          2HG       GLU  16   3.450   9.922  -2.309
  108   2HG   GLU  16          1HG       GLU  16   4.124  11.547  -2.177
  109    H    LEU  17           H        LEU  17   0.259   8.209  -2.580
  110    HA   LEU  17           HA       LEU  17  -2.406   8.921  -1.806
  111   1HB   LEU  17          2HB       LEU  17  -1.113   6.621  -2.695
  112   2HB   LEU  17          1HB       LEU  17  -1.567   6.243  -1.048
  113    HG   LEU  17           HG       LEU  17  -3.913   7.084  -1.745
  114   1HD1  LEU  17          1HD1      LEU  17  -2.495   6.751  -4.346
  115   2HD1  LEU  17          2HD1      LEU  17  -3.569   8.047  -3.827
  116   3HD1  LEU  17          3HD1      LEU  17  -4.230   6.460  -4.232
  117   1HD2  LEU  17          1HD2      LEU  17  -4.542   4.870  -2.304
  118   2HD2  LEU  17          2HD2      LEU  17  -3.153   4.727  -1.221
  119   3HD2  LEU  17          3HD2      LEU  17  -2.943   4.501  -2.954
  120    H    SER  18           H        SER  18  -3.121   9.376   0.158
  121    HA   SER  18           HA       SER  18  -1.390   8.996   2.478
  122   1HB   SER  18          2HB       SER  18  -2.408  11.136   2.490
  123   2HB   SER  18          1HB       SER  18  -3.970  10.487   2.006
  124    HG   SER  18           HG       SER  18  -3.599  11.085   4.326
  125    H    PHE  19           H        PHE  19  -2.605   8.257   4.526
  126    HA   PHE  19           HA       PHE  19  -4.812   6.553   4.247
  127   1HB   PHE  19          2HB       PHE  19  -3.514   4.355   4.678
  128   2HB   PHE  19          1HB       PHE  19  -3.535   4.990   3.033
  129    HD1  PHE  19           HD1      PHE  19  -1.498   4.998   6.147
  130    HD2  PHE  19           HD2      PHE  19  -1.548   5.331   1.907
  131    HE1  PHE  19           HE1      PHE  19   0.964   4.994   6.122
  132    HE2  PHE  19           HE2      PHE  19   0.911   5.329   1.873
  133    HZ   PHE  19           HZ       PHE  19   2.170   5.155   3.980
  134    H    ARG  20           H        ARG  20  -4.608   4.674   6.049
  135    HA   ARG  20           HA       ARG  20  -3.928   6.027   8.561
  136   1HB   ARG  20          2HB       ARG  20  -6.311   4.388   7.785
  137   2HB   ARG  20          1HB       ARG  20  -5.802   4.457   9.466
  138   1HG   ARG  20          2HG       ARG  20  -6.103   6.854   9.499
  139   2HG   ARG  20          1HG       ARG  20  -6.505   6.854   7.778
  140   1HD   ARG  20          2HD       ARG  20  -8.486   6.970   9.281
  141   2HD   ARG  20          1HD       ARG  20  -8.499   5.587   8.190
  142    HE   ARG  20           HE       ARG  20  -7.568   5.299  10.967
  143   1HH1  ARG  20          1HH1      ARG  20  -9.797   4.409   8.417
  144   2HH1  ARG  20          2HH1      ARG  20 -10.457   3.077   9.302
  145   1HH2  ARG  20          1HH2      ARG  20  -8.448   3.553  12.116
  146   2HH2  ARG  20          2HH2      ARG  20  -9.690   2.585  11.393
  147    H    LYS  21           H        LYS  21  -3.155   4.712  10.271
  148    HA   LYS  21           HA       LYS  21  -1.496   2.572   9.480
  149   1HB   LYS  21          2HB       LYS  21  -1.302   2.152  11.976
  150   2HB   LYS  21          1HB       LYS  21  -0.815   3.748  11.418
  151   1HG   LYS  21          2HG       LYS  21  -2.941   4.675  12.131
  152   2HG   LYS  21          1HG       LYS  21  -3.490   3.075  12.626
  153   1HD   LYS  21          2HD       LYS  21  -1.003   3.545  13.897
  154   2HD   LYS  21          1HD       LYS  21  -1.982   5.001  14.101
  155   1HE   LYS  21          2HE       LYS  21  -3.203   4.000  15.665
  156   2HE   LYS  21          1HE       LYS  21  -3.625   2.709  14.541
  157   1HZ   LYS  21          1HZ       LYS  21  -1.028   2.226  15.365
  158   2HZ   LYS  21          2HZ       LYS  21  -2.414   1.352  15.778
  159   3HZ   LYS  21          3HZ       LYS  21  -1.889   2.624  16.764
  160    H    THR  22           H        THR  22  -1.728   0.429   9.596
  161    HA   THR  22           HA       THR  22  -2.578  -1.614   9.902
  162    HB   THR  22           HB       THR  22  -4.898  -0.451  11.393
  163    HG1  THR  22           HG1      THR  22  -3.185  -0.961  13.182
  164   1HG2  THR  22          1HG2      THR  22  -5.314  -2.565  11.894
  165   2HG2  THR  22          2HG2      THR  22  -3.712  -2.717  12.616
  166   3HG2  THR  22          3HG2      THR  22  -3.948  -3.076  10.906
  167    H    GLN  23           H        GLN  23  -3.736   0.561   7.850
  168    HA   GLN  23           HA       GLN  23  -6.314  -0.485   7.266
  169   1HB   GLN  23          2HB       GLN  23  -5.337   1.801   6.616
  170   2HB   GLN  23          1HB       GLN  23  -4.548   0.951   5.295
  171   1HG   GLN  23          2HG       GLN  23  -6.388   1.300   4.117
  172   2HG   GLN  23          1HG       GLN  23  -7.180   0.113   5.158
  173   1HE2  GLN  23          1HE2      GLN  23  -6.527   3.537   4.731
  174   2HE2  GLN  23          2HE2      GLN  23  -7.899   4.101   5.616
  175    H    ILE  24           H        ILE  24  -6.986  -1.808   5.593
  176    HA   ILE  24           HA       ILE  24  -4.963  -3.679   4.596
  177    HB   ILE  24           HB       ILE  24  -7.155  -4.817   3.682
  178   1HG1  ILE  24          2HG1      ILE  24  -8.326  -3.432   6.091
  179   2HG1  ILE  24          1HG1      ILE  24  -8.489  -2.742   4.477
  180   1HG2  ILE  24          1HG2      ILE  24  -6.742  -6.323   5.271
  181   2HG2  ILE  24          2HG2      ILE  24  -7.152  -5.197   6.565
  182   3HG2  ILE  24          3HG2      ILE  24  -5.533  -5.190   5.873
  183   1HD1  ILE  24          1HD1      ILE  24  -9.940  -4.345   3.789
  184   2HD1  ILE  24          2HD1      ILE  24 -10.314  -4.327   5.512
  185   3HD1  ILE  24          3HD1      ILE  24  -9.263  -5.580   4.854
  186    H    LEU  25           H        LEU  25  -4.078  -3.117   2.701
  187    HA   LEU  25           HA       LEU  25  -5.769  -1.703   0.750
  188   1HB   LEU  25          2HB       LEU  25  -3.314  -1.263  -0.216
  189   2HB   LEU  25          1HB       LEU  25  -4.134  -0.206   0.918
  190    HG   LEU  25           HG       LEU  25  -2.661  -2.251   2.336
  191   1HD1  LEU  25          1HD1      LEU  25  -1.366  -1.131  -0.007
  192   2HD1  LEU  25          2HD1      LEU  25  -0.845  -2.435   1.064
  193   3HD1  LEU  25          3HD1      LEU  25  -0.509  -0.757   1.483
  194   1HD2  LEU  25          1HD2      LEU  25  -1.776   0.529   2.463
  195   2HD2  LEU  25          2HD2      LEU  25  -2.343  -0.544   3.743
  196   3HD2  LEU  25          3HD2      LEU  25  -3.506   0.316   2.733
  197    H    LYS  26           H        LYS  26  -5.740  -2.184  -1.387
  198    HA   LYS  26           HA       LYS  26  -5.155  -4.928  -2.166
  199   1HB   LYS  26          2HB       LYS  26  -7.075  -2.980  -2.815
  200   2HB   LYS  26          1HB       LYS  26  -6.091  -3.154  -4.261
  201   1HG   LYS  26          2HG       LYS  26  -6.916  -5.174  -4.725
  202   2HG   LYS  26          1HG       LYS  26  -6.859  -5.697  -3.042
  203   1HD   LYS  26          2HD       LYS  26  -8.870  -3.771  -3.113
  204   2HD   LYS  26          1HD       LYS  26  -9.089  -4.694  -4.601
  205   1HE   LYS  26          2HE       LYS  26  -8.619  -6.641  -2.702
  206   2HE   LYS  26          1HE       LYS  26  -9.592  -5.452  -1.835
  207   1HZ   LYS  26          1HZ       LYS  26 -10.621  -5.964  -4.444
  208   2HZ   LYS  26          2HZ       LYS  26 -11.397  -6.063  -2.947
  209   3HZ   LYS  26          3HZ       LYS  26 -10.514  -7.384  -3.532
  210    H    ILE  27           H        ILE  27  -3.421  -5.465  -3.473
  211    HA   ILE  27           HA       ILE  27  -1.761  -3.207  -4.353
  212    HB   ILE  27           HB       ILE  27  -0.745  -4.705  -2.675
  213   1HG1  ILE  27          2HG1      ILE  27   1.198  -5.277  -4.621
  214   2HG1  ILE  27          1HG1      ILE  27   0.363  -3.824  -5.175
  215   1HG2  ILE  27          1HG2      ILE  27   0.195  -6.879  -3.934
  216   2HG2  ILE  27          2HG2      ILE  27  -1.395  -6.749  -4.688
  217   3HG2  ILE  27          3HG2      ILE  27  -1.254  -6.870  -2.934
  218   1HD1  ILE  27          1HD1      ILE  27   1.536  -2.630  -3.742
  219   2HD1  ILE  27          2HD1      ILE  27   2.310  -4.093  -3.135
  220   3HD1  ILE  27          3HD1      ILE  27   0.806  -3.530  -2.410
  221    H    LEU  28           H        LEU  28  -1.191  -2.936  -6.473
  222    HA   LEU  28           HA       LEU  28  -2.598  -4.608  -8.331
  223   1HB   LEU  28          2HB       LEU  28  -1.178  -1.989  -8.475
  224   2HB   LEU  28          1HB       LEU  28  -1.604  -2.834  -9.950
  225    HG   LEU  28           HG       LEU  28  -3.688  -2.266  -7.871
  226   1HD1  LEU  28          1HD1      LEU  28  -4.219  -0.197  -9.074
  227   2HD1  LEU  28          2HD1      LEU  28  -2.765  -0.399 -10.050
  228   3HD1  LEU  28          3HD1      LEU  28  -2.631  -0.131  -8.313
  229   1HD2  LEU  28          1HD2      LEU  28  -3.643  -3.537 -10.406
  230   2HD2  LEU  28          2HD2      LEU  28  -4.541  -2.027 -10.577
  231   3HD2  LEU  28          3HD2      LEU  28  -5.026  -3.209  -9.361
  232    H    ASN  29           H        ASN  29   0.820  -3.410  -8.296
  233    HA   ASN  29           HA       ASN  29   1.612  -5.944  -9.508
  234   1HB   ASN  29          2HB       ASN  29   1.395  -3.460 -10.931
  235   2HB   ASN  29          1HB       ASN  29   3.088  -3.933 -10.846
  236   1HD2  ASN  29          1HD2      ASN  29   3.659  -6.050 -11.622
  237   2HD2  ASN  29          2HD2      ASN  29   2.725  -6.781 -12.880
  238    H    MET  30           H        MET  30   3.468  -6.643  -8.560
  239    HA   MET  30           HA       MET  30   5.278  -4.684  -7.285
  240   1HB   MET  30          2HB       MET  30   5.755  -6.352  -5.577
  241   2HB   MET  30          1HB       MET  30   4.084  -5.815  -5.559
  242   1HG   MET  30          2HG       MET  30   3.366  -7.851  -6.625
  243   2HG   MET  30          1HG       MET  30   5.038  -8.385  -6.796
  244   1HE   MET  30          1HE       MET  30   3.431 -10.683  -5.335
  245   2HE   MET  30          2HE       MET  30   2.218  -9.405  -5.425
  246   3HE   MET  30          3HE       MET  30   2.601 -10.144  -3.874
  247    H    GLU  31           H        GLU  31   7.293  -4.684  -8.048
  248    HA   GLU  31           HA       GLU  31   9.000  -6.502  -8.111
  249   1HB   GLU  31          2HB       GLU  31   7.656  -8.070  -9.455
  250   2HB   GLU  31          1HB       GLU  31   7.852  -7.019 -10.846
  251   1HG   GLU  31          2HG       GLU  31   9.633  -8.247 -11.342
  252   2HG   GLU  31          1HG       GLU  31  10.436  -7.437  -9.997
  253    H    ASP  32           H        ASP  32   8.163  -4.337 -10.824
  254    HA   ASP  32           HA       ASP  32  10.959  -3.848 -11.223
  255   1HB   ASP  32          2HB       ASP  32   8.465  -3.042 -12.515
  256   2HB   ASP  32          1HB       ASP  32   9.651  -1.741 -12.444
  257    H    ASP  33           H        ASP  33   8.887  -2.919  -8.799
  258    HA   ASP  33           HA       ASP  33  10.516  -0.551  -8.208
  259   1HB   ASP  33          2HB       ASP  33   7.942  -0.420  -9.241
  260   2HB   ASP  33          1HB       ASP  33   7.738  -0.111  -7.526
  261    H    SER  34           H        SER  34  11.426  -2.050  -6.563
  262    HA   SER  34           HA       SER  34   9.897  -3.298  -4.552
  263   1HB   SER  34          2HB       SER  34  12.607  -3.101  -5.238
  264   2HB   SER  34          1HB       SER  34  12.499  -2.476  -3.592
  265    HG   SER  34           HG       SER  34  12.078  -4.410  -2.895
  266    H    ASN  35           H        ASN  35  11.388  -0.025  -4.665
  267    HA   ASN  35           HA       ASN  35  10.675   0.499  -1.929
  268   1HB   ASN  35          2HB       ASN  35  11.594   2.752  -2.363
  269   2HB   ASN  35          1HB       ASN  35  12.699   1.484  -2.893
  270   1HD2  ASN  35          1HD2      ASN  35  12.935   1.086  -5.124
  271   2HD2  ASN  35          2HD2      ASN  35  12.514   2.285  -6.293
  272    H    TRP  36           H        TRP  36   9.372   1.339  -5.097
  273    HA   TRP  36           HA       TRP  36   7.164   2.783  -3.765
  274   1HB   TRP  36          2HB       TRP  36   8.791   3.486  -6.019
  275   2HB   TRP  36          1HB       TRP  36   7.127   3.281  -6.558
  276    HD1  TRP  36           HD1      TRP  36   7.549   4.585  -3.031
  277    HE1  TRP  36           HE1      TRP  36   6.881   7.065  -2.968
  278    HE3  TRP  36           HE3      TRP  36   7.187   5.451  -8.056
  279    HZ2  TRP  36           HZ2      TRP  36   6.276   9.124  -4.808
  280    HZ3  TRP  36           HZ3      TRP  36   6.562   7.706  -8.822
  281    HH2  TRP  36           HH2      TRP  36   6.116   9.501  -7.230
  282    H    TYR  37           H        TYR  37   5.200   1.920  -3.857
  283    HA   TYR  37           HA       TYR  37   4.810  -0.240  -5.802
  284   1HB   TYR  37          2HB       TYR  37   4.355  -0.122  -2.898
  285   2HB   TYR  37          1HB       TYR  37   3.122  -0.956  -3.839
  286    HD1  TYR  37           HD1      TYR  37   3.393  -3.198  -3.912
  287    HD2  TYR  37           HD2      TYR  37   6.881  -0.800  -3.840
  288    HE1  TYR  37           HE1      TYR  37   4.753  -5.233  -3.932
  289    HE2  TYR  37           HE2      TYR  37   8.273  -2.826  -3.874
  290    HH   TYR  37           HH       TYR  37   6.810  -6.064  -3.936
  291    H    ARG  38           H        ARG  38   2.706  -0.669  -6.583
  292    HA   ARG  38           HA       ARG  38   1.010   1.729  -6.551
  293   1HB   ARG  38          2HB       ARG  38   0.292  -0.225  -8.593
  294   2HB   ARG  38          1HB       ARG  38   0.706   1.471  -8.773
  295   1HG   ARG  38          2HG       ARG  38   3.129   0.753  -8.595
  296   2HG   ARG  38          1HG       ARG  38   2.539  -0.900  -8.796
  297   1HD   ARG  38          2HD       ARG  38   2.257   1.400 -10.715
  298   2HD   ARG  38          1HD       ARG  38   3.183  -0.079 -10.946
  299    HE   ARG  38           HE       ARG  38   0.960  -1.243 -10.889
  300   1HH1  ARG  38          1HH1      ARG  38   1.196   2.107 -11.900
  301   2HH1  ARG  38          2HH1      ARG  38  -0.213   2.020 -12.898
  302   1HH2  ARG  38          1HH2      ARG  38  -0.895  -1.325 -12.208
  303   2HH2  ARG  38          2HH2      ARG  38  -1.405   0.091 -13.068
  304    H    ALA  39           H        ALA  39  -0.573   1.535  -5.130
  305    HA   ALA  39           HA       ALA  39  -1.793  -1.113  -4.766
  306   1HB   ALA  39          1HB       ALA  39  -2.247   1.039  -2.761
  307   2HB   ALA  39          2HB       ALA  39  -0.650   0.288  -2.812
  308   3HB   ALA  39          3HB       ALA  39  -2.085  -0.700  -2.529
  309    H    GLU  40           H        GLU  40  -4.112  -0.967  -3.971
  310    HA   GLU  40           HA       GLU  40  -5.543   1.094  -5.481
  311   1HB   GLU  40          2HB       GLU  40  -5.256  -1.409  -6.463
  312   2HB   GLU  40          1HB       GLU  40  -6.731  -1.613  -5.528
  313   1HG   GLU  40          2HG       GLU  40  -6.932   0.799  -7.021
  314   2HG   GLU  40          1HG       GLU  40  -6.420  -0.496  -8.102
  315    H    LEU  41           H        LEU  41  -7.679   1.523  -4.796
  316    HA   LEU  41           HA       LEU  41  -8.711   0.253  -2.417
  317   1HB   LEU  41          2HB       LEU  41  -6.977   2.466  -2.177
  318   2HB   LEU  41          1HB       LEU  41  -8.591   3.082  -1.875
  319    HG   LEU  41           HG       LEU  41  -7.474   0.688  -0.429
  320   1HD1  LEU  41          1HD1      LEU  41  -6.451   3.226  -0.220
  321   2HD1  LEU  41          2HD1      LEU  41  -6.346   1.970   1.006
  322   3HD1  LEU  41          3HD1      LEU  41  -7.639   3.171   1.080
  323   1HD2  LEU  41          1HD2      LEU  41  -9.799   0.702  -0.218
  324   2HD2  LEU  41          2HD2      LEU  41  -9.871   2.459  -0.106
  325   3HD2  LEU  41          3HD2      LEU  41  -9.233   1.516   1.240
  326    H    ASP  42           H        ASP  42 -10.803   0.183  -2.602
  327    HA   ASP  42           HA       ASP  42 -12.920   0.484  -3.365
  328   1HB   ASP  42          2HB       ASP  42 -12.411   2.479  -1.787
  329   2HB   ASP  42          1HB       ASP  42 -12.425   3.440  -3.261
  330    H    GLY  43           H        GLY  43 -10.647   0.641  -5.443
  331   1HA   GLY  43          2HA       GLY  43 -11.164   0.457  -7.787
  332   2HA   GLY  43          1HA       GLY  43 -12.394   1.691  -7.568
  333    H    LYS  44           H        LYS  44 -10.272   3.169  -5.865
  334    HA   LYS  44           HA       LYS  44  -9.192   4.626  -8.144
  335   1HB   LYS  44          2HB       LYS  44 -10.149   5.421  -5.657
  336   2HB   LYS  44          1HB       LYS  44  -8.406   5.579  -5.481
  337   1HG   LYS  44          2HG       LYS  44  -8.290   7.071  -7.352
  338   2HG   LYS  44          1HG       LYS  44  -9.993   6.802  -7.726
  339   1HD   LYS  44          2HD       LYS  44  -9.794   8.910  -6.602
  340   2HD   LYS  44          1HD       LYS  44 -10.562   7.764  -5.498
  341   1HE   LYS  44          2HE       LYS  44  -8.842   7.822  -4.046
  342   2HE   LYS  44          1HE       LYS  44  -7.636   7.845  -5.329
  343   1HZ   LYS  44          1HZ       LYS  44  -9.167  10.281  -5.087
  344   2HZ   LYS  44          2HZ       LYS  44  -7.499  10.066  -5.260
  345   3HZ   LYS  44          3HZ       LYS  44  -8.217   9.925  -3.734
  346    H    GLU  45           H        GLU  45  -7.079   4.572  -8.737
  347    HA   GLU  45           HA       GLU  45  -5.311   2.735  -7.297
  348   1HB   GLU  45          2HB       GLU  45  -5.055   4.047 -10.005
  349   2HB   GLU  45          1HB       GLU  45  -3.886   2.925  -9.326
  350   1HG   GLU  45          2HG       GLU  45  -5.351   1.117  -9.487
  351   2HG   GLU  45          1HG       GLU  45  -6.762   2.160  -9.672
  352    H    GLY  46           H        GLY  46  -3.023   3.378  -6.886
  353   1HA   GLY  46          2HA       GLY  46  -2.284   6.114  -7.188
  354   2HA   GLY  46          1HA       GLY  46  -2.825   5.785  -5.565
  355    H    LEU  47           H        LEU  47  -0.348   6.795  -5.967
  356    HA   LEU  47           HA       LEU  47   1.548   4.556  -5.822
  357   1HB   LEU  47          2HB       LEU  47   1.922   7.536  -6.074
  358   2HB   LEU  47          1HB       LEU  47   3.251   6.461  -5.692
  359    HG   LEU  47           HG       LEU  47   3.315   6.948  -8.029
  360   1HD1  LEU  47          1HD1      LEU  47   3.405   4.781  -8.928
  361   2HD1  LEU  47          2HD1      LEU  47   2.146   4.192  -7.840
  362   3HD1  LEU  47          3HD1      LEU  47   3.740   4.599  -7.205
  363   1HD2  LEU  47          1HD2      LEU  47   0.837   7.521  -8.135
  364   2HD2  LEU  47          2HD2      LEU  47   0.560   5.796  -8.374
  365   3HD2  LEU  47          3HD2      LEU  47   1.529   6.702  -9.533
  366    H    ILE  48           H        ILE  48   2.810   4.121  -3.992
  367    HA   ILE  48           HA       ILE  48   2.596   5.825  -1.641
  368    HB   ILE  48           HB       ILE  48   1.911   3.710  -0.278
  369   1HG1  ILE  48          2HG1      ILE  48   0.407   2.206  -1.452
  370   2HG1  ILE  48          1HG1      ILE  48   0.701   3.060  -2.963
  371   1HG2  ILE  48          1HG2      ILE  48   0.632   5.894  -0.774
  372   2HG2  ILE  48          2HG2      ILE  48  -0.259   4.493  -0.169
  373   3HG2  ILE  48          3HG2      ILE  48  -0.298   4.889  -1.885
  374   1HD1  ILE  48          1HD1      ILE  48   3.008   2.349  -2.947
  375   2HD1  ILE  48          2HD1      ILE  48   1.934   0.955  -2.808
  376   3HD1  ILE  48          3HD1      ILE  48   2.778   1.560  -1.385
  377    HA   PRO  49           HA       PRO  49   6.358   3.655  -0.541
  378   1HB   PRO  49          2HB       PRO  49   6.299   3.848   2.163
  379   2HB   PRO  49          1HB       PRO  49   6.543   5.228   1.099
  380   1HG   PRO  49          2HG       PRO  49   4.273   4.648   2.798
  381   2HG   PRO  49          1HG       PRO  49   4.593   6.097   1.831
  382   1HD   PRO  49          2HD       PRO  49   2.908   3.763   1.217
  383   2HD   PRO  49          1HD       PRO  49   2.864   5.402   0.526
  384    H    SER  50           H        SER  50   6.674   1.538  -0.886
  385    HA   SER  50           HA       SER  50   4.985  -0.461   0.154
  386   1HB   SER  50          2HB       SER  50   6.726  -0.586  -1.806
  387   2HB   SER  50          1HB       SER  50   7.843  -1.081  -0.534
  388    HG   SER  50           HG       SER  50   6.708  -2.841  -1.579
  389    H    ASN  51           H        ASN  51   7.535   1.284   1.598
  390    HA   ASN  51           HA       ASN  51   8.330  -0.663   3.480
  391   1HB   ASN  51          2HB       ASN  51   9.987   0.807   3.709
  392   2HB   ASN  51          1HB       ASN  51   9.124   1.924   2.666
  393   1HD2  ASN  51          1HD2      ASN  51   9.004   3.838   3.493
  394   2HD2  ASN  51          2HD2      ASN  51   8.824   4.241   5.163
  395    H    TYR  52           H        TYR  52   5.463   1.123   3.331
  396    HA   TYR  52           HA       TYR  52   5.124   1.075   6.245
  397   1HB   TYR  52          2HB       TYR  52   3.408   2.334   4.099
  398   2HB   TYR  52          1HB       TYR  52   3.026   2.347   5.821
  399    HD1  TYR  52           HD1      TYR  52   3.472   4.331   6.857
  400    HD2  TYR  52           HD2      TYR  52   6.009   3.108   3.701
  401    HE1  TYR  52           HE1      TYR  52   4.781   6.382   7.154
  402    HE2  TYR  52           HE2      TYR  52   7.337   5.157   3.966
  403    HH   TYR  52           HH       TYR  52   7.680   6.839   6.217
  404    H    ILE  53           H        ILE  53   4.898  -1.075   3.929
  405    HA   ILE  53           HA       ILE  53   2.567  -2.434   5.092
  406    HB   ILE  53           HB       ILE  53   1.940  -3.271   2.892
  407   1HG1  ILE  53          2HG1      ILE  53   3.926  -1.432   1.590
  408   2HG1  ILE  53          1HG1      ILE  53   4.429  -3.054   2.050
  409   1HG2  ILE  53          1HG2      ILE  53   2.274  -0.398   2.298
  410   2HG2  ILE  53          2HG2      ILE  53   1.471  -0.825   3.804
  411   3HG2  ILE  53          3HG2      ILE  53   0.828  -1.409   2.278
  412   1HD1  ILE  53          1HD1      ILE  53   3.550  -2.574  -0.342
  413   2HD1  ILE  53          2HD1      ILE  53   1.961  -2.689   0.418
  414   3HD1  ILE  53          3HD1      ILE  53   3.081  -4.054   0.489
  415    H    GLU  54           H        GLU  54   2.565  -4.700   4.756
  416    HA   GLU  54           HA       GLU  54   5.021  -6.060   3.987
  417   1HB   GLU  54          2HB       GLU  54   4.268  -5.629   6.716
  418   2HB   GLU  54          1HB       GLU  54   4.078  -7.339   6.351
  419   1HG   GLU  54          2HG       GLU  54   6.244  -7.438   6.902
  420   2HG   GLU  54          1HG       GLU  54   6.501  -6.871   5.254
  421    H    MET  55           H        MET  55   4.640  -8.228   3.355
  422    HA   MET  55           HA       MET  55   1.992  -8.825   2.515
  423   1HB   MET  55          2HB       MET  55   2.991 -11.044   1.846
  424   2HB   MET  55          1HB       MET  55   3.774  -9.631   1.160
  425   1HG   MET  55          2HG       MET  55   5.207 -10.043   3.453
  426   2HG   MET  55          1HG       MET  55   4.820 -11.685   2.936
  427   1HE   MET  55          1HE       MET  55   7.119 -12.238   2.838
  428   2HE   MET  55          2HE       MET  55   8.074 -10.756   2.880
  429   3HE   MET  55          3HE       MET  55   8.233 -11.870   1.522
  430    H    LYS  56           H        LYS  56   0.395  -9.816   3.581
  431    HA   LYS  56           HA       LYS  56   0.918 -11.033   6.203
  432   1HB   LYS  56          2HB       LYS  56  -1.251  -9.560   5.078
  433   2HB   LYS  56          1HB       LYS  56  -1.833 -11.173   5.464
  434   1HG   LYS  56          2HG       LYS  56  -0.386 -10.519   7.702
  435   2HG   LYS  56          1HG       LYS  56  -1.100  -8.973   7.233
  436   1HD   LYS  56          2HD       LYS  56  -3.130  -9.609   7.903
  437   2HD   LYS  56          1HD       LYS  56  -3.012 -11.150   7.051
  438   1HE   LYS  56          2HE       LYS  56  -3.143 -11.887   9.216
  439   2HE   LYS  56          1HE       LYS  56  -1.393 -11.742   9.040
  440   1HZ   LYS  56          1HZ       LYS  56  -3.039 -10.474  10.894
  441   2HZ   LYS  56          2HZ       LYS  56  -2.437  -9.272   9.866
  442   3HZ   LYS  56          3HZ       LYS  56  -1.369 -10.290  10.690
  443    H    ASN  57           H        ASN  57   1.959 -12.532   4.090
  444    HA   ASN  57           HA       ASN  57   0.193 -14.892   4.224
  445   1HB   ASN  57          2HB       ASN  57   1.631 -13.679   1.883
  446   2HB   ASN  57          1HB       ASN  57   1.255 -15.399   1.907
  447   1HD2  ASN  57          1HD2      ASN  57   0.194 -12.521   0.850
  448   2HD2  ASN  57          2HD2      ASN  57  -1.500 -12.835   0.757
  449    H    HIS  58           H        HIS  58   1.785 -15.098   6.158
  450    HA   HIS  58           HA       HIS  58   4.488 -15.855   5.607
  451   1HB   HIS  58          2HB       HIS  58   2.651 -16.047   7.974
  452   2HB   HIS  58          1HB       HIS  58   4.146 -16.972   7.971
  453    HD1  HIS  58           HD1      HIS  58   6.373 -15.621   8.080
  454    HD2  HIS  58           HD2      HIS  58   2.932 -13.302   8.325
  455    HE1  HIS  58           HE1      HIS  58   7.142 -13.352   8.846
  456    HE2  HIS  58           HE2      HIS  58   5.044 -11.965   8.991
  457    H    ASP  59           H        ASP  59   1.739 -17.793   6.811
  458    HA   ASP  59           HA       ASP  59   1.161 -19.977   6.521
  459   1HB   ASP  59          2HB       ASP  59   2.149 -19.093   3.874
  460   2HB   ASP  59          1HB       ASP  59   2.031 -20.833   4.108
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1  -3.105 -10.774  -4.595
    2   2H    MET   1          2H        MET   1  -2.828 -10.236  -2.992
    3   3H    MET   1          3H        MET   1  -2.499  -9.197  -4.315
    4    HA   MET   1           HA       MET   1  -4.672  -8.828  -4.768
    5   1HB   MET   1          2HB       MET   1  -4.958 -11.486  -3.503
    6   2HB   MET   1          1HB       MET   1  -6.290 -10.379  -3.203
    7   1HG   MET   1          2HG       MET   1  -6.863 -11.650  -5.105
    8   2HG   MET   1          1HG       MET   1  -6.447 -10.037  -5.675
    9   1HE   MET   1          1HE       MET   1  -6.678 -13.166  -6.445
   10   2HE   MET   1          2HE       MET   1  -5.147 -13.979  -6.774
   11   3HE   MET   1          3HE       MET   1  -5.906 -12.988  -8.021
   12    H    GLU   2           H        GLU   2  -3.607  -9.765  -1.513
   13    HA   GLU   2           HA       GLU   2  -4.626  -7.177  -0.585
   14   1HB   GLU   2          2HB       GLU   2  -4.898  -9.662   1.080
   15   2HB   GLU   2          1HB       GLU   2  -5.606  -8.080   1.366
   16   1HG   GLU   2          2HG       GLU   2  -7.136  -8.356  -0.433
   17   2HG   GLU   2          1HG       GLU   2  -6.316  -9.819  -0.982
   18    H    ALA   3           H        ALA   3  -3.361  -6.092   0.740
   19    HA   ALA   3           HA       ALA   3  -1.022  -7.380   1.975
   20   1HB   ALA   3          1HB       ALA   3  -1.016  -5.120   0.021
   21   2HB   ALA   3          2HB       ALA   3  -0.065  -6.602   0.002
   22   3HB   ALA   3          3HB       ALA   3   0.290  -5.346   1.174
   23    H    ILE   4           H        ILE   4  -0.271  -6.323   3.861
   24    HA   ILE   4           HA       ILE   4  -2.142  -4.328   4.961
   25    HB   ILE   4           HB       ILE   4  -2.058  -6.343   6.268
   26   1HG1  ILE   4          2HG1      ILE   4  -0.348  -4.661   8.000
   27   2HG1  ILE   4          1HG1      ILE   4  -1.775  -3.876   7.324
   28   1HG2  ILE   4          1HG2      ILE   4  -0.106  -7.329   7.140
   29   2HG2  ILE   4          2HG2      ILE   4   0.887  -5.944   6.690
   30   3HG2  ILE   4          3HG2      ILE   4   0.229  -7.001   5.444
   31   1HD1  ILE   4          1HD1      ILE   4  -3.143  -5.743   8.236
   32   2HD1  ILE   4          2HD1      ILE   4  -2.337  -4.765   9.463
   33   3HD1  ILE   4          3HD1      ILE   4  -1.689  -6.348   9.032
   34    H    ALA   5           H        ALA   5  -1.335  -2.445   6.022
   35    HA   ALA   5           HA       ALA   5   1.527  -2.040   6.095
   36   1HB   ALA   5          1HB       ALA   5   0.681   0.352   4.967
   37   2HB   ALA   5          2HB       ALA   5  -0.113  -0.900   4.024
   38   3HB   ALA   5          3HB       ALA   5   1.632  -0.889   4.185
   39    H    LYS   6           H        LYS   6   1.698  -1.411   8.234
   40    HA   LYS   6           HA       LYS   6  -0.403   0.443   9.165
   41   1HB   LYS   6          2HB       LYS   6  -0.118  -1.611  10.447
   42   2HB   LYS   6          1HB       LYS   6   1.586  -1.258  10.676
   43   1HG   LYS   6          2HG       LYS   6   0.753   0.877  11.856
   44   2HG   LYS   6          1HG       LYS   6  -0.791   0.025  11.942
   45   1HD   LYS   6          2HD       LYS   6  -0.080  -1.320  13.571
   46   2HD   LYS   6          1HD       LYS   6   1.442  -1.652  12.740
   47   1HE   LYS   6          2HE       LYS   6   1.915   0.862  13.523
   48   2HE   LYS   6          1HE       LYS   6   0.793   0.380  14.794
   49   1HZ   LYS   6          1HZ       LYS   6   2.359  -0.835  15.761
   50   2HZ   LYS   6          2HZ       LYS   6   3.482  -0.149  14.699
   51   3HZ   LYS   6          3HZ       LYS   6   2.757  -1.630  14.321
   52    H    HIS   7           H        HIS   7   0.276   2.460   8.509
   53    HA   HIS   7           HA       HIS   7   2.071   3.722  10.182
   54   1HB   HIS   7          2HB       HIS   7   3.266   2.736   7.810
   55   2HB   HIS   7          1HB       HIS   7   3.036   4.460   7.537
   56    HD1  HIS   7           HD1      HIS   7   5.783   4.292   7.570
   57    HD2  HIS   7           HD2      HIS   7   3.792   3.860  11.192
   58    HE1  HIS   7           HE1      HIS   7   7.517   4.699   9.346
   59    HE2  HIS   7           HE2      HIS   7   6.285   4.447  11.529
   60    H    ASP   8           H        ASP   8   1.041   5.870  10.362
   61    HA   ASP   8           HA       ASP   8  -1.195   6.287   8.641
   62   1HB   ASP   8          2HB       ASP   8  -0.246   7.536  11.016
   63   2HB   ASP   8          1HB       ASP   8  -0.405   8.796   9.796
   64    H    PHE   9           H        PHE   9  -1.442   8.056   7.109
   65    HA   PHE   9           HA       PHE   9   0.792   9.584   6.271
   66   1HB   PHE   9          2HB       PHE   9   0.965   7.103   5.209
   67   2HB   PHE   9          1HB       PHE   9   0.002   7.909   3.973
   68    HD1  PHE   9           HD1      PHE   9   2.649   9.408   6.096
   69    HD2  PHE   9           HD2      PHE   9   1.527   8.091   2.206
   70    HE1  PHE   9           HE1      PHE   9   4.680  10.436   5.170
   71    HE2  PHE   9           HE2      PHE   9   3.563   9.113   1.274
   72    HZ   PHE   9           HZ       PHE   9   5.139  10.289   2.757
   73    H    SER  10           H        SER  10  -0.081  11.433   5.906
   74    HA   SER  10           HA       SER  10  -2.798  11.574   4.844
   75   1HB   SER  10          2HB       SER  10  -1.470  13.226   6.615
   76   2HB   SER  10          1HB       SER  10  -1.383  14.129   5.104
   77    HG   SER  10           HG       SER  10  -3.290  14.570   6.336
   78    H    ALA  11           H        ALA  11  -3.335  12.907   3.051
   79    HA   ALA  11           HA       ALA  11  -1.724  12.339   0.792
   80   1HB   ALA  11          1HB       ALA  11  -3.813  14.342   0.406
   81   2HB   ALA  11          2HB       ALA  11  -4.358  12.859   1.191
   82   3HB   ALA  11          3HB       ALA  11  -3.563  12.783  -0.381
   83    H    THR  12           H        THR  12  -0.252  13.435  -0.241
   84    HA   THR  12           HA       THR  12   0.156  16.272   0.436
   85    HB   THR  12           HB       THR  12   1.911  14.874   1.381
   86    HG1  THR  12           HG1      THR  12   2.399  16.772  -0.513
   87   1HG2  THR  12          1HG2      THR  12   2.656  13.061   0.385
   88   2HG2  THR  12          2HG2      THR  12   3.385  14.066  -0.868
   89   3HG2  THR  12          3HG2      THR  12   1.744  13.450  -1.073
   90    H    ALA  13           H        ALA  13  -0.509  14.048  -2.095
   91    HA   ALA  13           HA       ALA  13  -0.660  16.100  -3.997
   92   1HB   ALA  13          1HB       ALA  13   1.133  14.818  -5.544
   93   2HB   ALA  13          2HB       ALA  13   1.905  14.686  -3.964
   94   3HB   ALA  13          3HB       ALA  13   1.479  16.271  -4.606
   95    H    ASP  14           H        ASP  14  -0.897  15.252  -6.255
   96    HA   ASP  14           HA       ASP  14  -2.868  13.136  -6.311
   97   1HB   ASP  14          2HB       ASP  14  -2.989  13.640  -8.736
   98   2HB   ASP  14          1HB       ASP  14  -3.198  15.073  -7.734
   99    H    ASP  15           H        ASP  15  -0.468  12.081  -5.434
  100    HA   ASP  15           HA       ASP  15  -0.003  10.059  -7.435
  101   1HB   ASP  15          2HB       ASP  15   2.136  12.025  -6.668
  102   2HB   ASP  15          1HB       ASP  15   2.552  10.388  -7.170
  103    H    GLU  16           H        GLU  16   0.839  11.375  -4.227
  104    HA   GLU  16           HA       GLU  16   1.556   8.699  -3.327
  105   1HB   GLU  16          2HB       GLU  16   1.444  11.217  -1.671
  106   2HB   GLU  16          1HB       GLU  16   2.340   9.741  -1.335
  107   1HG   GLU  16          2HG       GLU  16   2.907  11.624  -3.613
  108   2HG   GLU  16          1HG       GLU  16   3.773  11.597  -2.078
  109    H    LEU  17           H        LEU  17  -0.005   7.384  -2.698
  110    HA   LEU  17           HA       LEU  17  -2.641   8.340  -2.151
  111   1HB   LEU  17          2HB       LEU  17  -2.080   6.151  -3.263
  112   2HB   LEU  17          1HB       LEU  17  -1.500   5.571  -1.714
  113    HG   LEU  17           HG       LEU  17  -4.299   6.587  -1.893
  114   1HD1  LEU  17          1HD1      LEU  17  -3.247   4.104  -3.155
  115   2HD1  LEU  17          2HD1      LEU  17  -4.526   5.191  -3.696
  116   3HD1  LEU  17          3HD1      LEU  17  -4.826   4.067  -2.371
  117   1HD2  LEU  17          1HD2      LEU  17  -4.655   5.310  -0.023
  118   2HD2  LEU  17          2HD2      LEU  17  -2.958   5.717   0.197
  119   3HD2  LEU  17          3HD2      LEU  17  -3.407   4.140  -0.445
  120    H    SER  18           H        SER  18  -3.454   8.920  -0.256
  121    HA   SER  18           HA       SER  18  -1.912   8.415   2.162
  122   1HB   SER  18          2HB       SER  18  -3.755   9.910   3.195
  123   2HB   SER  18          1HB       SER  18  -2.618  10.666   2.079
  124    HG   SER  18           HG       SER  18  -5.279  10.490   1.886
  125    H    PHE  19           H        PHE  19  -2.990   7.779   4.112
  126    HA   PHE  19           HA       PHE  19  -5.471   6.516   4.176
  127   1HB   PHE  19          2HB       PHE  19  -3.749   4.942   2.743
  128   2HB   PHE  19          1HB       PHE  19  -3.556   4.281   4.364
  129    HD1  PHE  19           HD1      PHE  19  -6.510   4.940   5.176
  130    HD2  PHE  19           HD2      PHE  19  -4.752   2.963   1.843
  131    HE1  PHE  19           HE1      PHE  19  -8.543   3.597   4.911
  132    HE2  PHE  19           HE2      PHE  19  -6.791   1.617   1.574
  133    HZ   PHE  19           HZ       PHE  19  -8.689   1.933   3.102
  134    H    ARG  20           H        ARG  20  -5.178   4.519   5.948
  135    HA   ARG  20           HA       ARG  20  -3.850   5.735   8.254
  136   1HB   ARG  20          2HB       ARG  20  -6.605   4.654   7.920
  137   2HB   ARG  20          1HB       ARG  20  -5.798   4.337   9.450
  138   1HG   ARG  20          2HG       ARG  20  -5.690   6.592  10.003
  139   2HG   ARG  20          1HG       ARG  20  -5.908   7.110   8.331
  140   1HD   ARG  20          2HD       ARG  20  -8.027   7.493   8.966
  141   2HD   ARG  20          1HD       ARG  20  -8.215   5.754   8.759
  142    HE   ARG  20           HE       ARG  20  -8.077   5.486  11.102
  143   1HH1  ARG  20          1HH1      ARG  20  -8.058   8.849  10.131
  144   2HH1  ARG  20          2HH1      ARG  20  -8.487   9.426  11.704
  145   1HH2  ARG  20          1HH2      ARG  20  -8.635   6.259  13.164
  146   2HH2  ARG  20          2HH2      ARG  20  -8.811   7.963  13.423
  147    H    LYS  21           H        LYS  21  -2.930   4.262   9.751
  148    HA   LYS  21           HA       LYS  21  -1.648   2.047   8.637
  149   1HB   LYS  21          2HB       LYS  21  -1.273   1.335  11.033
  150   2HB   LYS  21          1HB       LYS  21  -0.683   2.927  10.604
  151   1HG   LYS  21          2HG       LYS  21  -2.579   3.956  11.689
  152   2HG   LYS  21          1HG       LYS  21  -3.275   2.370  12.033
  153   1HD   LYS  21          2HD       LYS  21  -1.044   1.907  13.249
  154   2HD   LYS  21          1HD       LYS  21  -0.836   3.658  13.214
  155   1HE   LYS  21          2HE       LYS  21  -3.481   2.830  14.129
  156   2HE   LYS  21          1HE       LYS  21  -2.173   2.223  15.145
  157   1HZ   LYS  21          1HZ       LYS  21  -2.376   5.068  14.347
  158   2HZ   LYS  21          2HZ       LYS  21  -1.425   4.396  15.574
  159   3HZ   LYS  21          3HZ       LYS  21  -3.106   4.464  15.750
  160    H    THR  22           H        THR  22  -1.932  -0.159   8.852
  161    HA   THR  22           HA       THR  22  -2.983  -2.120   8.854
  162    HB   THR  22           HB       THR  22  -2.979  -1.420  11.299
  163    HG1  THR  22           HG1      THR  22  -4.264  -3.476  10.053
  164   1HG2  THR  22          1HG2      THR  22  -4.833   0.119  11.362
  165   2HG2  THR  22          2HG2      THR  22  -5.176  -1.280  12.370
  166   3HG2  THR  22          3HG2      THR  22  -5.929  -1.133  10.782
  167    H    GLN  23           H        GLN  23  -4.956   0.605   8.109
  168    HA   GLN  23           HA       GLN  23  -7.377  -0.846   7.860
  169   1HB   GLN  23          2HB       GLN  23  -6.749   1.816   7.718
  170   2HB   GLN  23          1HB       GLN  23  -7.214   1.438   6.065
  171   1HG   GLN  23          2HG       GLN  23  -9.218   2.055   6.991
  172   2HG   GLN  23          1HG       GLN  23  -9.265   0.302   7.170
  173   1HE2  GLN  23          1HE2      GLN  23 -10.598   0.237   8.916
  174   2HE2  GLN  23          2HE2      GLN  23 -10.165   0.838  10.478
  175    H    ILE  24           H        ILE  24  -5.393  -2.372   6.671
  176    HA   ILE  24           HA       ILE  24  -4.837  -3.546   4.789
  177    HB   ILE  24           HB       ILE  24  -6.970  -4.486   5.515
  178   1HG1  ILE  24          2HG1      ILE  24  -7.663  -5.496   3.322
  179   2HG1  ILE  24          1HG1      ILE  24  -6.560  -4.380   2.525
  180   1HG2  ILE  24          1HG2      ILE  24  -8.951  -3.539   5.173
  181   2HG2  ILE  24          2HG2      ILE  24  -8.653  -3.374   3.445
  182   3HG2  ILE  24          3HG2      ILE  24  -8.092  -2.138   4.554
  183   1HD1  ILE  24          1HD1      ILE  24  -5.403  -6.404   2.711
  184   2HD1  ILE  24          2HD1      ILE  24  -5.910  -6.638   4.383
  185   3HD1  ILE  24          3HD1      ILE  24  -4.743  -5.378   3.982
  186    H    LEU  25           H        LEU  25  -3.778  -2.922   3.015
  187    HA   LEU  25           HA       LEU  25  -5.160  -1.061   1.203
  188   1HB   LEU  25          2HB       LEU  25  -2.248  -1.476   0.885
  189   2HB   LEU  25          1HB       LEU  25  -3.219  -0.044   0.602
  190    HG   LEU  25           HG       LEU  25  -2.482  -1.074   3.343
  191   1HD1  LEU  25          1HD1      LEU  25  -1.343   1.331   1.973
  192   2HD1  LEU  25          2HD1      LEU  25  -0.590  -0.255   1.825
  193   3HD1  LEU  25          3HD1      LEU  25  -0.761   0.502   3.408
  194   1HD2  LEU  25          1HD2      LEU  25  -4.468   0.225   3.458
  195   2HD2  LEU  25          2HD2      LEU  25  -3.816   1.427   2.345
  196   3HD2  LEU  25          3HD2      LEU  25  -3.141   1.271   3.965
  197    H    LYS  26           H        LYS  26  -5.331  -1.497  -0.921
  198    HA   LYS  26           HA       LYS  26  -5.099  -4.257  -1.798
  199   1HB   LYS  26          2HB       LYS  26  -6.061  -1.806  -3.278
  200   2HB   LYS  26          1HB       LYS  26  -6.377  -3.485  -3.692
  201   1HG   LYS  26          2HG       LYS  26  -7.251  -2.503  -1.029
  202   2HG   LYS  26          1HG       LYS  26  -8.166  -2.005  -2.455
  203   1HD   LYS  26          2HD       LYS  26  -8.884  -4.134  -2.906
  204   2HD   LYS  26          1HD       LYS  26  -7.476  -4.884  -2.153
  205   1HE   LYS  26          2HE       LYS  26  -8.371  -4.768  -0.046
  206   2HE   LYS  26          1HE       LYS  26  -9.367  -3.365  -0.427
  207   1HZ   LYS  26          1HZ       LYS  26 -10.762  -4.852  -1.799
  208   2HZ   LYS  26          2HZ       LYS  26 -10.768  -5.262  -0.158
  209   3HZ   LYS  26          3HZ       LYS  26  -9.855  -6.172  -1.254
  210    H    ILE  27           H        ILE  27  -3.540  -5.002  -3.198
  211    HA   ILE  27           HA       ILE  27  -1.655  -3.006  -4.264
  212    HB   ILE  27           HB       ILE  27   0.085  -4.672  -4.200
  213   1HG1  ILE  27          2HG1      ILE  27  -1.704  -6.559  -2.702
  214   2HG1  ILE  27          1HG1      ILE  27  -1.670  -6.604  -4.460
  215   1HG2  ILE  27          1HG2      ILE  27  -0.656  -3.259  -2.177
  216   2HG2  ILE  27          2HG2      ILE  27   0.487  -4.579  -1.919
  217   3HG2  ILE  27          3HG2      ILE  27  -1.217  -4.793  -1.521
  218   1HD1  ILE  27          1HD1      ILE  27   0.005  -8.043  -4.203
  219   2HD1  ILE  27          2HD1      ILE  27   0.270  -7.577  -2.522
  220   3HD1  ILE  27          3HD1      ILE  27   0.989  -6.628  -3.825
  221    H    LEU  28           H        LEU  28  -1.118  -3.035  -6.441
  222    HA   LEU  28           HA       LEU  28  -2.874  -4.589  -8.100
  223   1HB   LEU  28          2HB       LEU  28  -1.992  -2.084  -8.274
  224   2HB   LEU  28          1HB       LEU  28  -0.769  -2.856  -9.264
  225    HG   LEU  28           HG       LEU  28  -3.706  -3.249  -9.787
  226   1HD1  LEU  28          1HD1      LEU  28  -2.639  -0.788  -9.829
  227   2HD1  LEU  28          2HD1      LEU  28  -3.889  -1.327 -10.951
  228   3HD1  LEU  28          3HD1      LEU  28  -2.196  -1.336 -11.446
  229   1HD2  LEU  28          1HD2      LEU  28  -3.073  -4.349 -11.642
  230   2HD2  LEU  28          2HD2      LEU  28  -1.549  -4.557 -10.783
  231   3HD2  LEU  28          3HD2      LEU  28  -1.726  -3.254 -11.956
  232    H    ASN  29           H        ASN  29   0.711  -4.211  -7.937
  233    HA   ASN  29           HA       ASN  29   0.985  -6.935  -8.944
  234   1HB   ASN  29          2HB       ASN  29   2.990  -6.003 -10.304
  235   2HB   ASN  29          1HB       ASN  29   1.376  -5.785 -10.974
  236   1HD2  ASN  29          1HD2      ASN  29   0.966  -3.850 -11.724
  237   2HD2  ASN  29          2HD2      ASN  29   1.710  -2.375 -11.219
  238    H    MET  30           H        MET  30   3.343  -7.654  -8.580
  239    HA   MET  30           HA       MET  30   4.018  -6.901  -5.863
  240   1HB   MET  30          2HB       MET  30   5.964  -8.687  -6.885
  241   2HB   MET  30          1HB       MET  30   4.643  -9.057  -5.794
  242   1HG   MET  30          2HG       MET  30   4.128  -9.032  -8.731
  243   2HG   MET  30          1HG       MET  30   4.978 -10.391  -8.008
  244   1HE   MET  30          1HE       MET  30   2.024  -9.306  -9.347
  245   2HE   MET  30          2HE       MET  30   1.314  -8.491  -7.954
  246   3HE   MET  30          3HE       MET  30   0.668 -10.040  -8.490
  247    H    GLU  31           H        GLU  31   5.231  -4.986  -5.743
  248    HA   GLU  31           HA       GLU  31   6.933  -3.466  -6.158
  249   1HB   GLU  31          2HB       GLU  31   8.188  -6.174  -6.306
  250   2HB   GLU  31          1HB       GLU  31   9.149  -4.705  -6.402
  251   1HG   GLU  31          2HG       GLU  31   9.209  -4.695  -4.192
  252   2HG   GLU  31          1HG       GLU  31   7.486  -4.322  -4.208
  253    H    ASP  32           H        ASP  32   5.805  -3.003  -8.531
  254    HA   ASP  32           HA       ASP  32   6.846  -4.275 -10.819
  255   1HB   ASP  32          2HB       ASP  32   5.073  -2.149 -10.266
  256   2HB   ASP  32          1HB       ASP  32   6.295  -1.488 -11.348
  257    H    ASP  33           H        ASP  33   7.835  -1.194  -9.280
  258    HA   ASP  33           HA       ASP  33  10.257  -1.111 -10.936
  259   1HB   ASP  33          2HB       ASP  33   8.783   0.818  -9.264
  260   2HB   ASP  33          1HB       ASP  33  10.518   0.854  -8.961
  261    H    SER  34           H        SER  34   9.196  -1.123  -7.620
  262    HA   SER  34           HA       SER  34   9.799  -2.721  -6.010
  263   1HB   SER  34          2HB       SER  34  12.510  -2.492  -7.350
  264   2HB   SER  34          1HB       SER  34  12.386  -3.068  -5.691
  265    HG   SER  34           HG       SER  34  12.220  -4.573  -7.708
  266    H    ASN  35           H        ASN  35   9.857  -1.842  -4.054
  267    HA   ASN  35           HA       ASN  35  10.601  -0.491  -2.268
  268   1HB   ASN  35          2HB       ASN  35  11.987   1.007  -4.490
  269   2HB   ASN  35          1HB       ASN  35  11.752   1.751  -2.916
  270   1HD2  ASN  35          1HD2      ASN  35  13.457   1.594  -1.671
  271   2HD2  ASN  35          2HD2      ASN  35  14.553   0.261  -1.601
  272    H    TRP  36           H        TRP  36   9.126   0.622  -5.218
  273    HA   TRP  36           HA       TRP  36   7.212   2.210  -3.649
  274   1HB   TRP  36          2HB       TRP  36   8.373   2.950  -6.352
  275   2HB   TRP  36          1HB       TRP  36   7.049   3.789  -5.568
  276    HD1  TRP  36           HD1      TRP  36   7.816   4.738  -2.933
  277    HE1  TRP  36           HE1      TRP  36   9.972   6.041  -2.390
  278    HE3  TRP  36           HE3      TRP  36  10.610   3.384  -6.983
  279    HZ2  TRP  36           HZ2      TRP  36  12.527   6.436  -3.537
  280    HZ3  TRP  36           HZ3      TRP  36  12.896   4.264  -7.193
  281    HH2  TRP  36           HH2      TRP  36  13.833   5.759  -5.507
  282    H    TYR  37           H        TYR  37   5.397   1.059  -3.737
  283    HA   TYR  37           HA       TYR  37   4.826  -0.483  -6.164
  284   1HB   TYR  37          2HB       TYR  37   3.424  -1.909  -4.786
  285   2HB   TYR  37          1HB       TYR  37   5.027  -1.768  -4.075
  286    HD1  TYR  37           HD1      TYR  37   5.242   0.174  -2.260
  287    HD2  TYR  37           HD2      TYR  37   1.596  -1.696  -3.405
  288    HE1  TYR  37           HE1      TYR  37   4.198   0.903  -0.166
  289    HE2  TYR  37           HE2      TYR  37   0.558  -0.971  -1.298
  290    HH   TYR  37           HH       TYR  37   2.245   0.169   1.318
  291    H    ARG  38           H        ARG  38   2.705  -0.633  -7.012
  292    HA   ARG  38           HA       ARG  38   1.206   1.870  -6.714
  293   1HB   ARG  38          2HB       ARG  38   1.942   0.745  -8.993
  294   2HB   ARG  38          1HB       ARG  38   0.519  -0.252  -8.730
  295   1HG   ARG  38          2HG       ARG  38  -0.799   1.344  -9.515
  296   2HG   ARG  38          1HG       ARG  38  -0.167   2.499  -8.340
  297   1HD   ARG  38          2HD       ARG  38   1.856   2.647  -9.963
  298   2HD   ARG  38          1HD       ARG  38   0.744   1.953 -11.138
  299    HE   ARG  38           HE       ARG  38   0.145   4.452  -9.697
  300   1HH1  ARG  38          1HH1      ARG  38   0.348   2.624 -12.677
  301   2HH1  ARG  38          2HH1      ARG  38  -0.308   3.901 -13.641
  302   1HH2  ARG  38          1HH2      ARG  38  -0.705   6.124 -10.980
  303   2HH2  ARG  38          2HH2      ARG  38  -0.900   5.884 -12.684
  304    H    ALA  39           H        ALA  39  -0.290   1.797  -5.162
  305    HA   ALA  39           HA       ALA  39  -1.758  -0.726  -4.760
  306   1HB   ALA  39          1HB       ALA  39  -0.389  -0.050  -2.834
  307   2HB   ALA  39          2HB       ALA  39  -2.112  -0.048  -2.455
  308   3HB   ALA  39          3HB       ALA  39  -1.279   1.470  -2.769
  309    H    GLU  40           H        GLU  40  -3.915  -0.353  -3.640
  310    HA   GLU  40           HA       GLU  40  -5.287   1.940  -4.845
  311   1HB   GLU  40          2HB       GLU  40  -6.053  -0.967  -5.048
  312   2HB   GLU  40          1HB       GLU  40  -7.190   0.335  -5.372
  313   1HG   GLU  40          2HG       GLU  40  -6.395   0.613  -7.418
  314   2HG   GLU  40          1HG       GLU  40  -4.744   0.755  -6.817
  315    H    LEU  41           H        LEU  41  -7.245   2.574  -3.844
  316    HA   LEU  41           HA       LEU  41  -8.172   1.289  -1.463
  317   1HB   LEU  41          2HB       LEU  41  -7.188   2.471   0.136
  318   2HB   LEU  41          1HB       LEU  41  -5.992   2.850  -1.070
  319    HG   LEU  41           HG       LEU  41  -6.488   4.845   0.093
  320   1HD1  LEU  41          1HD1      LEU  41  -7.832   6.150  -1.762
  321   2HD1  LEU  41          2HD1      LEU  41  -7.526   4.674  -2.671
  322   3HD1  LEU  41          3HD1      LEU  41  -6.182   5.593  -2.016
  323   1HD2  LEU  41          1HD2      LEU  41  -9.169   5.444  -0.370
  324   2HD2  LEU  41          2HD2      LEU  41  -8.401   5.063   1.167
  325   3HD2  LEU  41          3HD2      LEU  41  -9.147   3.781   0.214
  326    H    ASP  42           H        ASP  42 -10.199   1.963  -0.860
  327    HA   ASP  42           HA       ASP  42 -12.310   2.665  -1.309
  328   1HB   ASP  42          2HB       ASP  42 -10.659   5.140  -1.189
  329   2HB   ASP  42          1HB       ASP  42 -12.353   5.279  -1.639
  330    H    GLY  43           H        GLY  43 -10.921   5.143  -3.426
  331   1HA   GLY  43          2HA       GLY  43 -11.907   3.683  -5.770
  332   2HA   GLY  43          1HA       GLY  43 -12.599   5.262  -5.433
  333    H    LYS  44           H        LYS  44  -9.257   4.888  -4.615
  334    HA   LYS  44           HA       LYS  44  -8.475   6.212  -7.132
  335   1HB   LYS  44          2HB       LYS  44  -7.737   6.964  -4.301
  336   2HB   LYS  44          1HB       LYS  44  -7.015   7.670  -5.741
  337   1HG   LYS  44          2HG       LYS  44  -9.975   7.753  -5.324
  338   2HG   LYS  44          1HG       LYS  44  -8.916   8.929  -4.542
  339   1HD   LYS  44          2HD       LYS  44  -8.427   9.983  -6.487
  340   2HD   LYS  44          1HD       LYS  44  -8.465   8.489  -7.427
  341   1HE   LYS  44          2HE       LYS  44 -10.598   8.803  -8.020
  342   2HE   LYS  44          1HE       LYS  44 -11.077   9.224  -6.377
  343   1HZ   LYS  44          1HZ       LYS  44 -10.738  10.925  -8.568
  344   2HZ   LYS  44          2HZ       LYS  44  -9.558  11.334  -7.427
  345   3HZ   LYS  44          3HZ       LYS  44 -11.192  11.333  -6.990
  346    H    GLU  45           H        GLU  45  -6.515   5.658  -7.952
  347    HA   GLU  45           HA       GLU  45  -5.005   3.555  -6.566
  348   1HB   GLU  45          2HB       GLU  45  -3.860   3.284  -8.779
  349   2HB   GLU  45          1HB       GLU  45  -5.591   2.977  -8.834
  350   1HG   GLU  45          2HG       GLU  45  -4.940   5.749  -9.404
  351   2HG   GLU  45          1HG       GLU  45  -4.158   4.625 -10.514
  352    H    GLY  46           H        GLY  46  -2.660   3.842  -6.210
  353   1HA   GLY  46          2HA       GLY  46  -1.347   6.205  -7.059
  354   2HA   GLY  46          1HA       GLY  46  -1.976   6.447  -5.444
  355    H    LEU  47           H        LEU  47   0.781   6.351  -6.568
  356    HA   LEU  47           HA       LEU  47   2.109   4.038  -5.691
  357   1HB   LEU  47          2HB       LEU  47   2.755   6.318  -7.098
  358   2HB   LEU  47          1HB       LEU  47   3.717   6.467  -5.642
  359    HG   LEU  47           HG       LEU  47   5.094   5.399  -7.232
  360   1HD1  LEU  47          1HD1      LEU  47   5.148   2.967  -6.303
  361   2HD1  LEU  47          2HD1      LEU  47   3.959   3.585  -5.171
  362   3HD1  LEU  47          3HD1      LEU  47   5.547   4.326  -5.254
  363   1HD2  LEU  47          1HD2      LEU  47   2.605   4.010  -7.969
  364   2HD2  LEU  47          2HD2      LEU  47   4.083   3.052  -8.068
  365   3HD2  LEU  47          3HD2      LEU  47   3.946   4.557  -8.977
  366    H    ILE  48           H        ILE  48   3.370   3.675  -3.836
  367    HA   ILE  48           HA       ILE  48   3.522   5.616  -1.703
  368    HB   ILE  48           HB       ILE  48   2.534   3.799  -0.097
  369   1HG1  ILE  48          2HG1      ILE  48   1.359   3.072  -2.770
  370   2HG1  ILE  48          1HG1      ILE  48   2.161   2.026  -1.615
  371   1HG2  ILE  48          1HG2      ILE  48   1.296   5.958  -1.632
  372   2HG2  ILE  48          2HG2      ILE  48   1.308   5.669   0.103
  373   3HG2  ILE  48          3HG2      ILE  48   0.155   4.823  -0.924
  374   1HD1  ILE  48          1HD1      ILE  48   0.308   2.138  -0.118
  375   2HD1  ILE  48          2HD1      ILE  48  -0.284   1.743  -1.717
  376   3HD1  ILE  48          3HD1      ILE  48  -0.468   3.377  -1.105
  377    HA   PRO  49           HA       PRO  49   7.039   3.146  -0.514
  378   1HB   PRO  49          2HB       PRO  49   7.162   3.326   2.148
  379   2HB   PRO  49          1HB       PRO  49   7.358   4.740   1.108
  380   1HG   PRO  49          2HG       PRO  49   4.992   3.871   2.690
  381   2HG   PRO  49          1HG       PRO  49   5.612   5.499   2.417
  382   1HD   PRO  49          2HD       PRO  49   3.491   4.343   1.056
  383   2HD   PRO  49          1HD       PRO  49   4.424   5.740   0.495
  384    H    SER  50           H        SER  50   7.230   1.040  -0.787
  385    HA   SER  50           HA       SER  50   5.355  -0.846   0.180
  386   1HB   SER  50          2HB       SER  50   7.530  -0.895  -1.595
  387   2HB   SER  50          1HB       SER  50   7.991  -2.000  -0.301
  388    HG   SER  50           HG       SER  50   5.562  -2.658  -0.765
  389    H    ASN  51           H        ASN  51   7.939   0.749   1.714
  390    HA   ASN  51           HA       ASN  51   8.604  -1.212   3.633
  391   1HB   ASN  51          2HB       ASN  51   9.907   0.854   2.820
  392   2HB   ASN  51          1HB       ASN  51   8.969   1.739   4.018
  393   1HD2  ASN  51          1HD2      ASN  51  11.670  -0.178   3.453
  394   2HD2  ASN  51          2HD2      ASN  51  12.148  -0.429   5.094
  395    H    TYR  52           H        TYR  52   5.807   0.839   3.522
  396    HA   TYR  52           HA       TYR  52   5.567   0.674   6.443
  397   1HB   TYR  52          2HB       TYR  52   4.099   2.433   6.443
  398   2HB   TYR  52          1HB       TYR  52   5.146   2.853   5.107
  399    HD1  TYR  52           HD1      TYR  52   1.772   2.319   6.158
  400    HD2  TYR  52           HD2      TYR  52   4.321   2.335   2.773
  401    HE1  TYR  52           HE1      TYR  52  -0.181   2.650   4.694
  402    HE2  TYR  52           HE2      TYR  52   2.393   2.652   1.297
  403    HH   TYR  52           HH       TYR  52   0.189   3.315   1.277
  404    H    ILE  53           H        ILE  53   5.065  -1.251   4.035
  405    HA   ILE  53           HA       ILE  53   2.682  -2.547   5.142
  406    HB   ILE  53           HB       ILE  53   1.870  -1.586   3.159
  407   1HG1  ILE  53          2HG1      ILE  53   2.514  -3.946   1.622
  408   2HG1  ILE  53          1HG1      ILE  53   1.997  -4.351   3.251
  409   1HG2  ILE  53          1HG2      ILE  53   3.068  -0.945   1.437
  410   2HG2  ILE  53          2HG2      ILE  53   3.791  -2.527   1.213
  411   3HG2  ILE  53          3HG2      ILE  53   4.468  -1.400   2.382
  412   1HD1  ILE  53          1HD1      ILE  53  -0.008  -4.264   2.197
  413   2HD1  ILE  53          2HD1      ILE  53   0.502  -3.010   1.075
  414   3HD1  ILE  53          3HD1      ILE  53   0.114  -2.605   2.747
  415    H    GLU  54           H        GLU  54   2.633  -4.800   4.856
  416    HA   GLU  54           HA       GLU  54   5.010  -6.196   3.870
  417   1HB   GLU  54          2HB       GLU  54   3.807  -6.436   6.624
  418   2HB   GLU  54          1HB       GLU  54   4.815  -7.692   5.918
  419   1HG   GLU  54          2HG       GLU  54   6.532  -5.800   5.573
  420   2HG   GLU  54          1HG       GLU  54   5.562  -4.922   6.753
  421    H    MET  55           H        MET  55   4.531  -8.353   3.149
  422    HA   MET  55           HA       MET  55   1.829  -8.736   2.364
  423   1HB   MET  55          2HB       MET  55   3.805 -10.960   2.174
  424   2HB   MET  55          1HB       MET  55   2.572 -10.461   1.028
  425   1HG   MET  55          2HG       MET  55   4.375  -8.319   1.218
  426   2HG   MET  55          1HG       MET  55   5.348  -9.784   1.123
  427   1HE   MET  55          1HE       MET  55   5.800  -7.770  -0.809
  428   2HE   MET  55          2HE       MET  55   5.346  -8.187  -2.461
  429   3HE   MET  55          3HE       MET  55   6.372  -9.276  -1.527
  430    H    LYS  56           H        LYS  56   0.230  -9.945   3.268
  431    HA   LYS  56           HA       LYS  56   0.666 -11.328   5.805
  432   1HB   LYS  56          2HB       LYS  56  -1.384  -9.978   5.386
  433   2HB   LYS  56          1HB       LYS  56  -1.825 -11.101   4.106
  434   1HG   LYS  56          2HG       LYS  56  -2.198 -12.857   5.618
  435   2HG   LYS  56          1HG       LYS  56  -1.348 -12.025   6.921
  436   1HD   LYS  56          2HD       LYS  56  -3.674 -11.861   7.388
  437   2HD   LYS  56          1HD       LYS  56  -3.147 -10.271   6.835
  438   1HE   LYS  56          2HE       LYS  56  -4.522 -10.327   5.076
  439   2HE   LYS  56          1HE       LYS  56  -4.015 -11.957   4.639
  440   1HZ   LYS  56          1HZ       LYS  56  -5.671 -11.906   6.977
  441   2HZ   LYS  56          2HZ       LYS  56  -5.825 -12.824   5.564
  442   3HZ   LYS  56          3HZ       LYS  56  -6.449 -11.253   5.623
  443    H    ASN  57           H        ASN  57   1.332 -13.321   5.931
  444    HA   ASN  57           HA       ASN  57   1.195 -14.976   3.524
  445   1HB   ASN  57          2HB       ASN  57   2.981 -14.910   5.827
  446   2HB   ASN  57          1HB       ASN  57   2.426 -16.540   5.454
  447   1HD2  ASN  57          1HD2      ASN  57   3.726 -17.595   4.161
  448   2HD2  ASN  57          2HD2      ASN  57   4.698 -16.915   2.905
  449    H    HIS  58           H        HIS  58   0.534 -17.219   3.680
  450    HA   HIS  58           HA       HIS  58  -1.938 -17.548   5.107
  451   1HB   HIS  58          2HB       HIS  58  -1.748 -19.941   4.180
  452   2HB   HIS  58          1HB       HIS  58  -1.886 -18.645   3.000
  453    HD1  HIS  58           HD1      HIS  58  -0.026 -21.607   3.641
  454    HD2  HIS  58           HD2      HIS  58   0.891 -17.891   2.022
  455    HE1  HIS  58           HE1      HIS  58   2.116 -21.936   2.364
  456    HE2  HIS  58           HE2      HIS  58   2.667 -19.667   1.419
  457    H    ASP  59           H        ASP  59   1.000 -19.581   5.031
  458    HA   ASP  59           HA       ASP  59   0.673 -20.050   7.917
  459   1HB   ASP  59          2HB       ASP  59   0.488 -21.951   5.969
  460   2HB   ASP  59          1HB       ASP  59   2.203 -22.037   6.359
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1  -6.438  -9.459  -4.304
    2   2H    MET   1          2H        MET   1  -5.036  -9.396  -5.292
    3   3H    MET   1          3H        MET   1  -5.517  -8.019  -4.387
    4    HA   MET   1           HA       MET   1  -5.086 -10.450  -2.906
    5   1HB   MET   1          2HB       MET   1  -3.103  -9.282  -4.706
    6   2HB   MET   1          1HB       MET   1  -2.548  -9.379  -3.041
    7   1HG   MET   1          2HG       MET   1  -3.387 -11.813  -3.144
    8   2HG   MET   1          1HG       MET   1  -3.347 -11.578  -4.889
    9   1HE   MET   1          1HE       MET   1  -2.086 -13.599  -4.837
   10   2HE   MET   1          2HE       MET   1  -0.367 -13.772  -4.486
   11   3HE   MET   1          3HE       MET   1  -0.889 -12.896  -5.925
   12    H    GLU   2           H        GLU   2  -3.602  -9.700  -0.949
   13    HA   GLU   2           HA       GLU   2  -4.349  -6.957  -0.223
   14   1HB   GLU   2          2HB       GLU   2  -4.997  -9.408   1.387
   15   2HB   GLU   2          1HB       GLU   2  -5.079  -7.770   2.017
   16   1HG   GLU   2          2HG       GLU   2  -6.990  -7.305   0.947
   17   2HG   GLU   2          1HG       GLU   2  -6.544  -8.232  -0.485
   18    H    ALA   3           H        ALA   3  -3.171  -5.940   1.251
   19    HA   ALA   3           HA       ALA   3  -0.843  -7.312   2.440
   20   1HB   ALA   3          1HB       ALA   3  -0.737  -4.640   1.085
   21   2HB   ALA   3          2HB       ALA   3  -0.061  -6.130   0.443
   22   3HB   ALA   3          3HB       ALA   3   0.585  -5.432   1.924
   23    H    ILE   4           H        ILE   4  -0.236  -6.427   4.490
   24    HA   ILE   4           HA       ILE   4  -2.237  -4.593   5.605
   25    HB   ILE   4           HB       ILE   4  -1.945  -6.835   6.709
   26   1HG1  ILE   4          2HG1      ILE   4  -2.814  -4.654   7.765
   27   2HG1  ILE   4          1HG1      ILE   4  -2.390  -5.985   8.834
   28   1HG2  ILE   4          1HG2      ILE   4  -0.063  -7.449   7.869
   29   2HG2  ILE   4          2HG2      ILE   4   0.548  -5.800   7.982
   30   3HG2  ILE   4          3HG2      ILE   4   0.626  -6.665   6.448
   31   1HD1  ILE   4          1HD1      ILE   4  -1.615  -3.901   9.759
   32   2HD1  ILE   4          2HD1      ILE   4  -0.728  -3.534   8.286
   33   3HD1  ILE   4          3HD1      ILE   4  -0.230  -4.886   9.291
   34    H    ALA   5           H        ALA   5  -1.536  -2.698   6.669
   35    HA   ALA   5           HA       ALA   5   1.322  -2.274   6.913
   36   1HB   ALA   5          1HB       ALA   5   1.340  -0.223   5.588
   37   2HB   ALA   5          2HB       ALA   5  -0.349  -0.482   5.164
   38   3HB   ALA   5          3HB       ALA   5   0.879  -1.615   4.623
   39    H    LYS   6           H        LYS   6   1.880  -0.228   7.967
   40    HA   LYS   6           HA       LYS   6  -0.412   1.093   9.192
   41   1HB   LYS   6          2HB       LYS   6   0.587   0.976  11.472
   42   2HB   LYS   6          1HB       LYS   6   0.016  -0.556  10.828
   43   1HG   LYS   6          2HG       LYS   6   2.017  -1.475  10.981
   44   2HG   LYS   6          1HG       LYS   6   2.790  -0.115  10.167
   45   1HD   LYS   6          2HD       LYS   6   3.769   0.230  12.161
   46   2HD   LYS   6          1HD       LYS   6   2.225   0.967  12.592
   47   1HE   LYS   6          2HE       LYS   6   2.947  -0.619  14.292
   48   2HE   LYS   6          1HE       LYS   6   1.460  -1.157  13.514
   49   1HZ   LYS   6          1HZ       LYS   6   2.696  -3.072  13.531
   50   2HZ   LYS   6          2HZ       LYS   6   4.168  -2.273  13.309
   51   3HZ   LYS   6          3HZ       LYS   6   3.111  -2.466  12.007
   52    H    HIS   7           H        HIS   7  -0.098   3.143   8.428
   53    HA   HIS   7           HA       HIS   7   1.730   4.614   9.797
   54   1HB   HIS   7          2HB       HIS   7   3.089   3.635   7.686
   55   2HB   HIS   7          1HB       HIS   7   2.372   5.039   6.897
   56    HD1  HIS   7           HD1      HIS   7   4.132   4.526  10.252
   57    HD2  HIS   7           HD2      HIS   7   4.156   7.042   6.947
   58    HE1  HIS   7           HE1      HIS   7   5.916   6.238  10.727
   59    HE2  HIS   7           HE2      HIS   7   5.984   7.688   8.662
   60    H    ASP   8           H        ASP   8   0.273   6.322  10.266
   61    HA   ASP   8           HA       ASP   8  -1.589   7.004   8.113
   62   1HB   ASP   8          2HB       ASP   8  -2.875   8.227   9.828
   63   2HB   ASP   8          1HB       ASP   8  -2.620   6.556  10.307
   64    H    PHE   9           H        PHE   9  -0.619   8.266   6.773
   65    HA   PHE   9           HA       PHE   9   0.482  10.790   7.817
   66   1HB   PHE   9          2HB       PHE   9   2.211  10.865   6.240
   67   2HB   PHE   9          1HB       PHE   9   2.235   9.219   6.845
   68    HD1  PHE   9           HD1      PHE   9   0.539   7.644   5.337
   69    HD2  PHE   9           HD2      PHE   9   2.686  11.084   4.046
   70    HE1  PHE   9           HE1      PHE   9   0.505   6.798   3.027
   71    HE2  PHE   9           HE2      PHE   9   2.656  10.247   1.738
   72    HZ   PHE   9           HZ       PHE   9   1.571   8.100   1.227
   73    H    SER  10           H        SER  10  -0.550  12.522   7.093
   74    HA   SER  10           HA       SER  10  -2.837  12.197   5.400
   75   1HB   SER  10          2HB       SER  10  -1.748  14.917   5.950
   76   2HB   SER  10          1HB       SER  10  -3.417  14.349   5.978
   77    HG   SER  10           HG       SER  10  -2.538  13.068   7.908
   78    H    ALA  11           H        ALA  11  -3.334  13.602   3.628
   79    HA   ALA  11           HA       ALA  11  -1.558  13.161   1.491
   80   1HB   ALA  11          1HB       ALA  11  -3.873  15.020   1.280
   81   2HB   ALA  11          2HB       ALA  11  -4.134  13.301   1.561
   82   3HB   ALA  11          3HB       ALA  11  -3.268  13.837   0.124
   83    H    THR  12           H        THR  12  -0.144  14.313   0.480
   84    HA   THR  12           HA       THR  12   0.154  17.162   1.162
   85    HB   THR  12           HB       THR  12   1.984  15.896   2.105
   86    HG1  THR  12           HG1      THR  12   2.513  17.534  -0.102
   87   1HG2  THR  12          1HG2      THR  12   3.591  14.723   0.576
   88   2HG2  THR  12          2HG2      THR  12   2.324  14.765  -0.650
   89   3HG2  THR  12          3HG2      THR  12   2.058  13.896   0.862
   90    H    ALA  13           H        ALA  13  -0.388  14.895  -1.379
   91    HA   ALA  13           HA       ALA  13  -0.591  16.947  -3.284
   92   1HB   ALA  13          1HB       ALA  13   1.957  16.632  -3.076
   93   2HB   ALA  13          2HB       ALA  13   1.232  16.730  -4.681
   94   3HB   ALA  13          3HB       ALA  13   1.685  15.165  -4.013
   95    H    ASP  14           H        ASP  14  -0.827  16.151  -5.491
   96    HA   ASP  14           HA       ASP  14  -2.669  13.924  -5.639
   97   1HB   ASP  14          2HB       ASP  14  -2.103  16.250  -7.195
   98   2HB   ASP  14          1HB       ASP  14  -1.970  14.836  -8.238
   99    H    ASP  15           H        ASP  15  -0.211  12.960  -4.807
  100    HA   ASP  15           HA       ASP  15   0.427  11.102  -6.928
  101   1HB   ASP  15          2HB       ASP  15   2.037  13.401  -6.626
  102   2HB   ASP  15          1HB       ASP  15   2.955  12.062  -5.941
  103    H    GLU  16           H        GLU  16   1.118  12.241  -3.612
  104    HA   GLU  16           HA       GLU  16   2.000   9.543  -2.886
  105   1HB   GLU  16          2HB       GLU  16   2.027  12.213  -1.529
  106   2HB   GLU  16          1HB       GLU  16   2.107  10.747  -0.562
  107   1HG   GLU  16          2HG       GLU  16   4.329  11.371  -0.879
  108   2HG   GLU  16          1HG       GLU  16   4.063  10.063  -2.030
  109    H    LEU  17           H        LEU  17   0.540   8.087  -2.328
  110    HA   LEU  17           HA       LEU  17  -2.151   8.860  -1.711
  111   1HB   LEU  17          2HB       LEU  17  -0.938   6.568  -2.689
  112   2HB   LEU  17          1HB       LEU  17  -1.353   6.112  -1.047
  113    HG   LEU  17           HG       LEU  17  -3.379   7.287  -2.931
  114   1HD1  LEU  17          1HD1      LEU  17  -3.760   4.494  -2.610
  115   2HD1  LEU  17          2HD1      LEU  17  -2.108   4.757  -3.167
  116   3HD1  LEU  17          3HD1      LEU  17  -3.465   5.401  -4.090
  117   1HD2  LEU  17          1HD2      LEU  17  -4.728   5.690  -1.265
  118   2HD2  LEU  17          2HD2      LEU  17  -4.386   7.383  -0.907
  119   3HD2  LEU  17          3HD2      LEU  17  -3.372   6.113  -0.220
  120    H    SER  18           H        SER  18  -2.829   9.401   0.266
  121    HA   SER  18           HA       SER  18  -1.130   8.876   2.563
  122   1HB   SER  18          2HB       SER  18  -2.433  10.466   3.721
  123   2HB   SER  18          1HB       SER  18  -2.408  11.089   2.077
  124    HG   SER  18           HG       SER  18  -4.511  10.581   3.514
  125    H    PHE  19           H        PHE  19  -2.185   8.111   4.577
  126    HA   PHE  19           HA       PHE  19  -4.504   6.507   4.364
  127   1HB   PHE  19          2HB       PHE  19  -2.238   5.293   3.307
  128   2HB   PHE  19          1HB       PHE  19  -2.321   4.616   4.928
  129    HD1  PHE  19           HD1      PHE  19  -3.504   4.414   1.595
  130    HD2  PHE  19           HD2      PHE  19  -4.560   3.559   5.617
  131    HE1  PHE  19           HE1      PHE  19  -5.188   2.794   0.825
  132    HE2  PHE  19           HE2      PHE  19  -6.246   1.987   4.839
  133    HZ   PHE  19           HZ       PHE  19  -6.553   1.574   2.470
  134    H    ARG  20           H        ARG  20  -4.441   4.753   6.212
  135    HA   ARG  20           HA       ARG  20  -3.631   6.095   8.689
  136   1HB   ARG  20          2HB       ARG  20  -5.978   6.180   8.645
  137   2HB   ARG  20          1HB       ARG  20  -6.116   4.580   7.930
  138   1HG   ARG  20          2HG       ARG  20  -6.083   3.547   9.922
  139   2HG   ARG  20          1HG       ARG  20  -4.875   4.645  10.593
  140   1HD   ARG  20          2HD       ARG  20  -6.836   6.369  10.548
  141   2HD   ARG  20          1HD       ARG  20  -7.847   4.925  10.486
  142    HE   ARG  20           HE       ARG  20  -5.841   5.035  12.593
  143   1HH1  ARG  20          1HH1      ARG  20  -9.196   5.472  11.695
  144   2HH1  ARG  20          2HH1      ARG  20  -9.769   5.357  13.324
  145   1HH2  ARG  20          1HH2      ARG  20  -6.607   4.891  14.727
  146   2HH2  ARG  20          2HH2      ARG  20  -8.305   5.024  15.040
  147    H    LYS  21           H        LYS  21  -2.937   4.758  10.415
  148    HA   LYS  21           HA       LYS  21  -1.402   2.492   9.713
  149   1HB   LYS  21          2HB       LYS  21  -1.484   2.165  12.313
  150   2HB   LYS  21          1HB       LYS  21  -0.604   3.527  11.638
  151   1HG   LYS  21          2HG       LYS  21  -1.760   4.556  13.309
  152   2HG   LYS  21          1HG       LYS  21  -2.893   4.765  11.977
  153   1HD   LYS  21          2HD       LYS  21  -4.427   3.796  13.262
  154   2HD   LYS  21          1HD       LYS  21  -3.539   2.286  13.046
  155   1HE   LYS  21          2HE       LYS  21  -2.532   2.427  15.090
  156   2HE   LYS  21          1HE       LYS  21  -2.614   4.189  15.133
  157   1HZ   LYS  21          1HZ       LYS  21  -4.721   2.222  15.748
  158   2HZ   LYS  21          2HZ       LYS  21  -5.125   3.806  15.319
  159   3HZ   LYS  21          3HZ       LYS  21  -4.172   3.519  16.685
  160    H    THR  22           H        THR  22  -1.873   0.323   9.923
  161    HA   THR  22           HA       THR  22  -2.977  -1.581  10.395
  162    HB   THR  22           HB       THR  22  -5.160   0.060  11.659
  163    HG1  THR  22           HG1      THR  22  -2.702  -0.885  12.658
  164   1HG2  THR  22          1HG2      THR  22  -4.894  -2.318  13.019
  165   2HG2  THR  22          2HG2      THR  22  -4.734  -2.783  11.323
  166   3HG2  THR  22          3HG2      THR  22  -6.163  -1.902  11.865
  167    H    GLN  23           H        GLN  23  -4.144   0.756   8.253
  168    HA   GLN  23           HA       GLN  23  -6.426  -0.928   7.608
  169   1HB   GLN  23          2HB       GLN  23  -5.591   1.672   6.381
  170   2HB   GLN  23          1HB       GLN  23  -6.945   0.708   5.804
  171   1HG   GLN  23          2HG       GLN  23  -7.384   0.970   8.529
  172   2HG   GLN  23          1HG       GLN  23  -6.775   2.542   8.020
  173   1HE2  GLN  23          1HE2      GLN  23  -7.821   3.330   5.897
  174   2HE2  GLN  23          2HE2      GLN  23  -9.537   3.153   5.806
  175    H    ILE  24           H        ILE  24  -6.773  -2.067   5.815
  176    HA   ILE  24           HA       ILE  24  -4.382  -3.114   4.585
  177    HB   ILE  24           HB       ILE  24  -6.388  -4.432   5.513
  178   1HG1  ILE  24          2HG1      ILE  24  -6.013  -5.798   3.051
  179   2HG1  ILE  24          1HG1      ILE  24  -4.510  -4.969   3.438
  180   1HG2  ILE  24          1HG2      ILE  24  -8.024  -5.053   3.692
  181   2HG2  ILE  24          2HG2      ILE  24  -7.489  -3.602   2.849
  182   3HG2  ILE  24          3HG2      ILE  24  -8.233  -3.472   4.440
  183   1HD1  ILE  24          1HD1      ILE  24  -4.133  -6.232   5.296
  184   2HD1  ILE  24          2HD1      ILE  24  -5.028  -7.396   4.323
  185   3HD1  ILE  24          3HD1      ILE  24  -5.849  -6.498   5.596
  186    H    LEU  25           H        LEU  25  -3.729  -2.909   2.536
  187    HA   LEU  25           HA       LEU  25  -5.357  -1.223   0.748
  188   1HB   LEU  25          2HB       LEU  25  -3.127  -0.726  -0.365
  189   2HB   LEU  25          1HB       LEU  25  -3.389  -0.033   1.224
  190    HG   LEU  25           HG       LEU  25  -2.099  -2.072   2.114
  191   1HD1  LEU  25          1HD1      LEU  25  -0.762  -2.111  -0.530
  192   2HD1  LEU  25          2HD1      LEU  25  -2.228  -3.064  -0.322
  193   3HD1  LEU  25          3HD1      LEU  25  -0.842  -3.340   0.723
  194   1HD2  LEU  25          1HD2      LEU  25  -0.245  -0.432   0.532
  195   2HD2  LEU  25          2HD2      LEU  25  -0.296  -0.754   2.263
  196   3HD2  LEU  25          3HD2      LEU  25  -1.371   0.450   1.561
  197    H    LYS  26           H        LYS  26  -5.444  -1.730  -1.487
  198    HA   LYS  26           HA       LYS  26  -5.305  -4.564  -2.086
  199   1HB   LYS  26          2HB       LYS  26  -6.854  -2.356  -2.870
  200   2HB   LYS  26          1HB       LYS  26  -5.993  -2.874  -4.312
  201   1HG   LYS  26          2HG       LYS  26  -7.907  -4.124  -4.444
  202   2HG   LYS  26          1HG       LYS  26  -6.822  -5.244  -3.614
  203   1HD   LYS  26          2HD       LYS  26  -7.901  -5.002  -1.599
  204   2HD   LYS  26          1HD       LYS  26  -8.493  -3.386  -1.990
  205   1HE   LYS  26          2HE       LYS  26  -9.589  -5.272  -3.840
  206   2HE   LYS  26          1HE       LYS  26  -9.868  -5.843  -2.196
  207   1HZ   LYS  26          1HZ       LYS  26 -11.662  -4.495  -2.438
  208   2HZ   LYS  26          2HZ       LYS  26 -10.898  -3.460  -3.536
  209   3HZ   LYS  26          3HZ       LYS  26 -10.565  -3.332  -1.883
  210    H    ILE  27           H        ILE  27  -3.144  -5.107  -2.414
  211    HA   ILE  27           HA       ILE  27  -1.411  -3.488  -4.052
  212    HB   ILE  27           HB       ILE  27   0.028  -5.702  -3.958
  213   1HG1  ILE  27          2HG1      ILE  27  -0.869  -6.186  -1.276
  214   2HG1  ILE  27          1HG1      ILE  27  -2.215  -6.423  -2.380
  215   1HG2  ILE  27          1HG2      ILE  27   0.289  -4.623  -1.356
  216   2HG2  ILE  27          2HG2      ILE  27  -0.175  -3.308  -2.434
  217   3HG2  ILE  27          3HG2      ILE  27   1.253  -4.277  -2.791
  218   1HD1  ILE  27          1HD1      ILE  27  -1.426  -8.377  -2.974
  219   2HD1  ILE  27          2HD1      ILE  27  -0.128  -8.192  -1.801
  220   3HD1  ILE  27          3HD1      ILE  27   0.101  -7.662  -3.467
  221    H    LEU  28           H        LEU  28  -0.975  -3.661  -6.194
  222    HA   LEU  28           HA       LEU  28  -2.726  -5.347  -7.729
  223   1HB   LEU  28          2HB       LEU  28  -1.392  -2.870  -8.071
  224   2HB   LEU  28          1HB       LEU  28  -0.895  -3.923  -9.381
  225    HG   LEU  28           HG       LEU  28  -3.680  -4.232  -9.226
  226   1HD1  LEU  28          1HD1      LEU  28  -4.655  -2.279  -8.746
  227   2HD1  LEU  28          2HD1      LEU  28  -3.419  -1.347  -9.592
  228   3HD1  LEU  28          3HD1      LEU  28  -3.142  -1.880  -7.936
  229   1HD2  LEU  28          1HD2      LEU  28  -3.210  -2.465 -11.292
  230   2HD2  LEU  28          2HD2      LEU  28  -3.106  -4.225 -11.378
  231   3HD2  LEU  28          3HD2      LEU  28  -1.659  -3.271 -11.069
  232    H    ASN  29           H        ASN  29   0.857  -4.985  -7.596
  233    HA   ASN  29           HA       ASN  29   1.141  -7.730  -8.569
  234   1HB   ASN  29          2HB       ASN  29   1.459  -5.996 -10.453
  235   2HB   ASN  29          1HB       ASN  29   2.875  -5.453  -9.551
  236   1HD2  ASN  29          1HD2      ASN  29   4.590  -6.152 -10.602
  237   2HD2  ASN  29          2HD2      ASN  29   4.840  -7.761 -11.180
  238    H    MET  30           H        MET  30   2.722  -8.833  -7.606
  239    HA   MET  30           HA       MET  30   4.335  -7.438  -5.650
  240   1HB   MET  30          2HB       MET  30   4.015  -9.480  -4.190
  241   2HB   MET  30          1HB       MET  30   2.669  -8.365  -4.353
  242   1HG   MET  30          2HG       MET  30   1.373  -9.867  -5.382
  243   2HG   MET  30          1HG       MET  30   2.719 -10.559  -6.292
  244   1HE   MET  30          1HE       MET  30   4.761 -11.762  -3.653
  245   2HE   MET  30          2HE       MET  30   4.476 -11.834  -5.390
  246   3HE   MET  30          3HE       MET  30   4.167 -13.250  -4.390
  247    H    GLU  31           H        GLU  31   5.840  -9.151  -4.577
  248    HA   GLU  31           HA       GLU  31   7.622 -10.468  -4.648
  249   1HB   GLU  31          2HB       GLU  31   7.615 -12.350  -5.913
  250   2HB   GLU  31          1HB       GLU  31   5.945 -11.861  -6.083
  251   1HG   GLU  31          2HG       GLU  31   6.328 -12.256  -8.244
  252   2HG   GLU  31          1HG       GLU  31   7.001 -10.625  -8.218
  253    H    ASP  32           H        ASP  32   7.179  -8.540  -7.550
  254    HA   ASP  32           HA       ASP  32   9.940  -8.540  -8.296
  255   1HB   ASP  32          2HB       ASP  32   9.310  -6.631  -9.732
  256   2HB   ASP  32          1HB       ASP  32   8.197  -7.979  -9.930
  257    H    ASP  33           H        ASP  33   8.429  -7.507  -5.625
  258    HA   ASP  33           HA       ASP  33   8.546  -5.655  -4.212
  259   1HB   ASP  33          2HB       ASP  33  10.734  -7.599  -4.142
  260   2HB   ASP  33          1HB       ASP  33  11.062  -6.119  -3.242
  261    H    SER  34           H        SER  34   9.072  -3.618  -3.806
  262    HA   SER  34           HA       SER  34  11.504  -2.458  -4.764
  263   1HB   SER  34          2HB       SER  34   9.477  -2.608  -6.594
  264   2HB   SER  34          1HB       SER  34   9.237  -0.992  -5.929
  265    HG   SER  34           HG       SER  34  11.549  -0.692  -6.337
  266    H    ASN  35           H        ASN  35  11.226   0.150  -4.465
  267    HA   ASN  35           HA       ASN  35  10.316   0.504  -1.738
  268   1HB   ASN  35          2HB       ASN  35  12.433   1.525  -2.713
  269   2HB   ASN  35          1HB       ASN  35  11.388   2.619  -3.615
  270   1HD2  ASN  35          1HD2      ASN  35  12.993   2.059  -0.706
  271   2HD2  ASN  35          2HD2      ASN  35  12.301   3.349   0.214
  272    H    TRP  36           H        TRP  36   9.216   1.266  -4.957
  273    HA   TRP  36           HA       TRP  36   6.917   2.724  -3.825
  274   1HB   TRP  36          2HB       TRP  36   8.520   3.183  -6.306
  275   2HB   TRP  36          1HB       TRP  36   6.816   3.617  -6.305
  276    HD1  TRP  36           HD1      TRP  36   7.511   4.406  -2.953
  277    HE1  TRP  36           HE1      TRP  36   8.304   6.834  -2.623
  278    HE3  TRP  36           HE3      TRP  36   8.792   5.504  -7.776
  279    HZ2  TRP  36           HZ2      TRP  36   9.336   8.939  -4.201
  280    HZ3  TRP  36           HZ3      TRP  36   9.669   7.747  -8.283
  281    HH2  TRP  36           HH2      TRP  36   9.933   9.427  -6.531
  282    H    TYR  37           H        TYR  37   5.216   1.419  -3.790
  283    HA   TYR  37           HA       TYR  37   4.846  -0.533  -5.949
  284   1HB   TYR  37          2HB       TYR  37   4.585  -0.693  -3.102
  285   2HB   TYR  37          1HB       TYR  37   3.024  -1.037  -3.840
  286    HD1  TYR  37           HD1      TYR  37   2.737  -3.329  -3.638
  287    HD2  TYR  37           HD2      TYR  37   6.460  -1.832  -5.050
  288    HE1  TYR  37           HE1      TYR  37   3.478  -5.628  -4.103
  289    HE2  TYR  37           HE2      TYR  37   7.211  -4.121  -5.522
  290    HH   TYR  37           HH       TYR  37   6.419  -6.580  -4.412
  291    H    ARG  38           H        ARG  38   2.716  -0.933  -6.804
  292    HA   ARG  38           HA       ARG  38   1.074   1.494  -6.782
  293   1HB   ARG  38          2HB       ARG  38   2.091   0.414  -8.961
  294   2HB   ARG  38          1HB       ARG  38   0.754  -0.716  -8.799
  295   1HG   ARG  38          2HG       ARG  38  -0.839   1.112  -8.925
  296   2HG   ARG  38          1HG       ARG  38   0.484   2.276  -9.012
  297   1HD   ARG  38          2HD       ARG  38  -0.477   1.798 -11.227
  298   2HD   ARG  38          1HD       ARG  38   1.220   1.339 -11.118
  299    HE   ARG  38           HE       ARG  38  -0.110  -0.950 -10.510
  300   1HH1  ARG  38          1HH1      ARG  38  -0.184   1.265 -13.203
  301   2HH1  ARG  38          2HH1      ARG  38  -0.669   0.055 -14.341
  302   1HH2  ARG  38          1HH2      ARG  38  -0.704  -2.536 -12.013
  303   2HH2  ARG  38          2HH2      ARG  38  -0.987  -2.098 -13.659
  304    H    ALA  39           H        ALA  39  -0.465   1.332  -5.315
  305    HA   ALA  39           HA       ALA  39  -1.885  -1.228  -4.997
  306   1HB   ALA  39          1HB       ALA  39  -2.153  -0.833  -2.741
  307   2HB   ALA  39          2HB       ALA  39  -2.072   0.917  -2.930
  308   3HB   ALA  39          3HB       ALA  39  -0.599  -0.049  -3.016
  309    H    GLU  40           H        GLU  40  -4.188  -0.878  -4.112
  310    HA   GLU  40           HA       GLU  40  -5.430   1.356  -5.555
  311   1HB   GLU  40          2HB       GLU  40  -5.556  -1.390  -6.286
  312   2HB   GLU  40          1HB       GLU  40  -7.157  -0.905  -5.749
  313   1HG   GLU  40          2HG       GLU  40  -6.282   1.179  -7.372
  314   2HG   GLU  40          1HG       GLU  40  -5.779  -0.292  -8.200
  315    H    LEU  41           H        LEU  41  -7.515   1.980  -4.844
  316    HA   LEU  41           HA       LEU  41  -8.689   0.817  -2.493
  317   1HB   LEU  41          2HB       LEU  41  -6.713   2.130  -1.656
  318   2HB   LEU  41          1HB       LEU  41  -7.484   3.575  -2.280
  319    HG   LEU  41           HG       LEU  41  -9.473   2.592  -0.719
  320   1HD1  LEU  41          1HD1      LEU  41  -7.810   0.778  -0.019
  321   2HD1  LEU  41          2HD1      LEU  41  -8.648   1.656   1.263
  322   3HD1  LEU  41          3HD1      LEU  41  -6.987   2.064   0.849
  323   1HD2  LEU  41          1HD2      LEU  41  -9.017   4.808  -0.398
  324   2HD2  LEU  41          2HD2      LEU  41  -7.276   4.555  -0.329
  325   3HD2  LEU  41          3HD2      LEU  41  -8.280   4.156   1.065
  326    H    ASP  42           H        ASP  42 -10.802   1.491  -2.201
  327    HA   ASP  42           HA       ASP  42 -12.838   2.258  -2.867
  328   1HB   ASP  42          2HB       ASP  42 -11.151   4.463  -2.242
  329   2HB   ASP  42          1HB       ASP  42 -12.190   4.946  -3.577
  330    H    GLY  43           H        GLY  43 -11.284   4.581  -5.030
  331   1HA   GLY  43          2HA       GLY  43 -11.997   2.931  -7.344
  332   2HA   GLY  43          1HA       GLY  43 -12.773   4.500  -7.182
  333    H    LYS  44           H        LYS  44  -9.510   4.199  -6.055
  334    HA   LYS  44           HA       LYS  44  -8.491   5.454  -8.526
  335   1HB   LYS  44          2HB       LYS  44  -7.098   6.868  -6.895
  336   2HB   LYS  44          1HB       LYS  44  -8.784   7.302  -7.135
  337   1HG   LYS  44          2HG       LYS  44  -9.299   5.977  -5.053
  338   2HG   LYS  44          1HG       LYS  44  -7.556   5.899  -4.784
  339   1HD   LYS  44          2HD       LYS  44  -7.659   8.478  -5.102
  340   2HD   LYS  44          1HD       LYS  44  -9.374   8.276  -4.740
  341   1HE   LYS  44          2HE       LYS  44  -8.849   7.268  -2.614
  342   2HE   LYS  44          1HE       LYS  44  -7.128   7.287  -2.991
  343   1HZ   LYS  44          1HZ       LYS  44  -8.820   9.411  -2.018
  344   2HZ   LYS  44          2HZ       LYS  44  -7.799   9.873  -3.284
  345   3HZ   LYS  44          3HZ       LYS  44  -7.147   9.205  -1.874
  346    H    GLU  45           H        GLU  45  -6.412   4.919  -9.080
  347    HA   GLU  45           HA       GLU  45  -5.073   2.927  -7.388
  348   1HB   GLU  45          2HB       GLU  45  -3.900   2.183  -9.341
  349   2HB   GLU  45          1HB       GLU  45  -5.592   2.339  -9.785
  350   1HG   GLU  45          2HG       GLU  45  -5.166   4.373 -10.960
  351   2HG   GLU  45          1HG       GLU  45  -3.509   4.428 -10.363
  352    H    GLY  46           H        GLY  46  -3.378   3.650  -6.159
  353   1HA   GLY  46          2HA       GLY  46  -1.982   6.052  -7.176
  354   2HA   GLY  46          1HA       GLY  46  -2.458   5.911  -5.502
  355    H    LEU  47           H        LEU  47   0.032   6.599  -5.975
  356    HA   LEU  47           HA       LEU  47   1.667   4.171  -5.837
  357   1HB   LEU  47          2HB       LEU  47   3.457   6.241  -5.662
  358   2HB   LEU  47          1HB       LEU  47   3.022   5.385  -7.130
  359    HG   LEU  47           HG       LEU  47   1.493   7.806  -6.251
  360   1HD1  LEU  47          1HD1      LEU  47   3.413   8.422  -8.283
  361   2HD1  LEU  47          2HD1      LEU  47   4.233   7.815  -6.846
  362   3HD1  LEU  47          3HD1      LEU  47   3.148   9.199  -6.724
  363   1HD2  LEU  47          1HD2      LEU  47   0.316   7.214  -8.044
  364   2HD2  LEU  47          2HD2      LEU  47   1.524   6.028  -8.542
  365   3HD2  LEU  47          3HD2      LEU  47   1.705   7.722  -9.004
  366    H    ILE  48           H        ILE  48   2.949   3.683  -4.023
  367    HA   ILE  48           HA       ILE  48   2.981   5.488  -1.746
  368    HB   ILE  48           HB       ILE  48   2.050   3.657  -0.241
  369   1HG1  ILE  48          2HG1      ILE  48   2.249   1.896  -2.067
  370   2HG1  ILE  48          1HG1      ILE  48   0.765   1.901  -1.125
  371   1HG2  ILE  48          1HG2      ILE  48  -0.370   4.169  -1.378
  372   2HG2  ILE  48          2HG2      ILE  48   0.628   5.492  -1.964
  373   3HG2  ILE  48          3HG2      ILE  48   0.481   5.204  -0.236
  374   1HD1  ILE  48          1HD1      ILE  48  -0.278   1.838  -3.068
  375   2HD1  ILE  48          2HD1      ILE  48   1.174   2.273  -3.961
  376   3HD1  ILE  48          3HD1      ILE  48   0.164   3.531  -3.254
  377    HA   PRO  49           HA       PRO  49   6.542   2.968  -0.653
  378   1HB   PRO  49          2HB       PRO  49   6.410   3.000   2.095
  379   2HB   PRO  49          1HB       PRO  49   6.883   4.377   1.101
  380   1HG   PRO  49          2HG       PRO  49   4.528   4.062   2.709
  381   2HG   PRO  49          1HG       PRO  49   5.013   5.468   1.750
  382   1HD   PRO  49          2HD       PRO  49   3.124   3.294   1.127
  383   2HD   PRO  49          1HD       PRO  49   3.202   4.950   0.475
  384    H    SER  50           H        SER  50   6.707   0.840  -1.114
  385    HA   SER  50           HA       SER  50   4.911  -1.107  -0.101
  386   1HB   SER  50          2HB       SER  50   6.877  -1.085  -2.066
  387   2HB   SER  50          1HB       SER  50   7.547  -2.162  -0.838
  388    HG   SER  50           HG       SER  50   6.216  -3.264  -2.373
  389    H    ASN  51           H        ASN  51   7.822   0.308   1.085
  390    HA   ASN  51           HA       ASN  51   8.499  -1.704   2.945
  391   1HB   ASN  51          2HB       ASN  51   9.495   0.873   2.124
  392   2HB   ASN  51          1HB       ASN  51   9.536   0.735   3.880
  393   1HD2  ASN  51          1HD2      ASN  51  11.678   0.744   1.818
  394   2HD2  ASN  51          2HD2      ASN  51  12.596  -0.686   2.131
  395    H    TYR  52           H        TYR  52   5.929   0.493   2.984
  396    HA   TYR  52           HA       TYR  52   5.853   0.538   5.916
  397   1HB   TYR  52          2HB       TYR  52   4.648   2.231   3.795
  398   2HB   TYR  52          1HB       TYR  52   3.736   2.036   5.290
  399    HD1  TYR  52           HD1      TYR  52   5.666   4.322   3.811
  400    HD2  TYR  52           HD2      TYR  52   5.711   2.014   7.370
  401    HE1  TYR  52           HE1      TYR  52   7.055   6.027   4.868
  402    HE2  TYR  52           HE2      TYR  52   7.113   3.726   8.452
  403    HH   TYR  52           HH       TYR  52   8.868   5.649   7.318
  404    H    ILE  53           H        ILE  53   5.124  -1.606   3.781
  405    HA   ILE  53           HA       ILE  53   2.751  -2.619   5.171
  406    HB   ILE  53           HB       ILE  53   3.031  -2.885   2.179
  407   1HG1  ILE  53          2HG1      ILE  53   1.066  -0.889   3.052
  408   2HG1  ILE  53          1HG1      ILE  53   2.729  -0.394   3.304
  409   1HG2  ILE  53          1HG2      ILE  53   1.468  -4.403   2.936
  410   2HG2  ILE  53          2HG2      ILE  53   0.475  -3.037   2.427
  411   3HG2  ILE  53          3HG2      ILE  53   0.820  -3.292   4.128
  412   1HD1  ILE  53          1HD1      ILE  53   1.374  -1.136   0.752
  413   2HD1  ILE  53          2HD1      ILE  53   3.125  -1.015   0.895
  414   3HD1  ILE  53          3HD1      ILE  53   2.113   0.400   1.195
  415    H    GLU  54           H        GLU  54   2.530  -4.998   4.732
  416    HA   GLU  54           HA       GLU  54   4.893  -6.367   3.671
  417   1HB   GLU  54          2HB       GLU  54   4.292  -6.118   6.479
  418   2HB   GLU  54          1HB       GLU  54   4.186  -7.799   5.982
  419   1HG   GLU  54          2HG       GLU  54   6.479  -7.211   4.806
  420   2HG   GLU  54          1HG       GLU  54   6.524  -5.988   6.078
  421    H    MET  55           H        MET  55   4.489  -8.555   3.073
  422    HA   MET  55           HA       MET  55   1.791  -9.075   2.355
  423   1HB   MET  55          2HB       MET  55   2.778 -11.349   1.650
  424   2HB   MET  55          1HB       MET  55   3.351  -9.909   0.822
  425   1HG   MET  55          2HG       MET  55   4.971 -10.444   3.132
  426   2HG   MET  55          1HG       MET  55   4.870 -11.870   2.103
  427   1HE   MET  55          1HE       MET  55   8.047  -9.407   2.000
  428   2HE   MET  55          2HE       MET  55   6.731  -9.416   3.171
  429   3HE   MET  55          3HE       MET  55   6.865  -8.098   2.008
  430    H    LYS  56           H        LYS  56   0.261 -10.083   3.565
  431    HA   LYS  56           HA       LYS  56   1.035 -11.459   6.053
  432   1HB   LYS  56          2HB       LYS  56  -1.059  -9.786   5.518
  433   2HB   LYS  56          1HB       LYS  56  -1.807 -11.367   5.317
  434   1HG   LYS  56          2HG       LYS  56  -0.213 -11.439   7.671
  435   2HG   LYS  56          1HG       LYS  56  -1.206  -9.982   7.720
  436   1HD   LYS  56          2HD       LYS  56  -2.729 -12.271   6.817
  437   2HD   LYS  56          1HD       LYS  56  -1.986 -12.573   8.389
  438   1HE   LYS  56          2HE       LYS  56  -2.970  -9.991   8.598
  439   2HE   LYS  56          1HE       LYS  56  -4.212 -10.845   7.685
  440   1HZ   LYS  56          1HZ       LYS  56  -4.733 -12.145   9.436
  441   2HZ   LYS  56          2HZ       LYS  56  -4.108 -10.849  10.324
  442   3HZ   LYS  56          3HZ       LYS  56  -3.148 -12.209  10.025
  443    H    ASN  57           H        ASN  57   1.917 -12.855   3.864
  444    HA   ASN  57           HA       ASN  57   0.081 -15.155   3.883
  445   1HB   ASN  57          2HB       ASN  57   1.129 -15.787   1.677
  446   2HB   ASN  57          1HB       ASN  57   0.184 -14.303   1.640
  447   1HD2  ASN  57          1HD2      ASN  57   1.474 -14.040  -0.355
  448   2HD2  ASN  57          2HD2      ASN  57   3.021 -13.278  -0.226
  449    H    HIS  58           H        HIS  58   3.136 -15.786   2.450
  450    HA   HIS  58           HA       HIS  58   5.117 -16.694   3.313
  451   1HB   HIS  58          2HB       HIS  58   3.741 -16.223   5.830
  452   2HB   HIS  58          1HB       HIS  58   4.442 -17.835   5.794
  453    HD1  HIS  58           HD1      HIS  58   6.711 -17.847   6.757
  454    HD2  HIS  58           HD2      HIS  58   5.883 -14.263   4.823
  455    HE1  HIS  58           HE1      HIS  58   8.782 -16.442   7.032
  456    HE2  HIS  58           HE2      HIS  58   8.220 -14.242   5.934
  457    H    ASP  59           H        ASP  59   5.444 -18.580   2.366
  458    HA   ASP  59           HA       ASP  59   5.203 -20.721   1.646
  459   1HB   ASP  59          2HB       ASP  59   4.445 -20.766   4.401
  460   2HB   ASP  59          1HB       ASP  59   3.368 -21.844   3.518
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  -2.029 -10.571  -3.161
    2   2H    MET   1          2H        MET   1  -1.471  -9.011  -3.603
    3   3H    MET   1          3H        MET   1  -1.815 -10.176  -4.815
    4    HA   MET   1           HA       MET   1  -3.590  -8.749  -4.843
    5   1HB   MET   1          2HB       MET   1  -5.432 -10.196  -3.980
    6   2HB   MET   1          1HB       MET   1  -4.232 -11.087  -4.901
    7   1HG   MET   1          2HG       MET   1  -3.650 -11.030  -2.053
    8   2HG   MET   1          1HG       MET   1  -5.212 -11.754  -2.421
    9   1HE   MET   1          1HE       MET   1  -4.754 -14.982  -2.979
   10   2HE   MET   1          2HE       MET   1  -5.101 -13.744  -1.773
   11   3HE   MET   1          3HE       MET   1  -3.644 -14.727  -1.633
   12    H    GLU   2           H        GLU   2  -2.668  -9.542  -1.535
   13    HA   GLU   2           HA       GLU   2  -3.834  -6.985  -0.730
   14   1HB   GLU   2          2HB       GLU   2  -4.343  -8.555   1.480
   15   2HB   GLU   2          1HB       GLU   2  -5.519  -7.962   0.320
   16   1HG   GLU   2          2HG       GLU   2  -5.429 -10.011  -0.915
   17   2HG   GLU   2          1HG       GLU   2  -4.089 -10.597   0.071
   18    H    ALA   3           H        ALA   3  -2.764  -5.890   0.741
   19    HA   ALA   3           HA       ALA   3  -0.480  -7.097   2.175
   20   1HB   ALA   3          1HB       ALA   3   0.378  -6.086   0.103
   21   2HB   ALA   3          2HB       ALA   3   0.950  -5.265   1.553
   22   3HB   ALA   3          3HB       ALA   3  -0.333  -4.547   0.589
   23    H    ILE   4           H        ILE   4   0.053  -6.002   4.142
   24    HA   ILE   4           HA       ILE   4  -2.023  -4.079   4.988
   25    HB   ILE   4           HB       ILE   4  -1.697  -6.212   6.317
   26   1HG1  ILE   4          2HG1      ILE   4  -1.416  -4.805   8.561
   27   2HG1  ILE   4          1HG1      ILE   4  -1.609  -3.456   7.448
   28   1HG2  ILE   4          1HG2      ILE   4   0.988  -5.492   6.179
   29   2HG2  ILE   4          2HG2      ILE   4   0.282  -6.813   7.109
   30   3HG2  ILE   4          3HG2      ILE   4   0.529  -5.237   7.863
   31   1HD1  ILE   4          1HD1      ILE   4  -3.539  -5.659   8.061
   32   2HD1  ILE   4          2HD1      ILE   4  -3.697  -4.642   6.630
   33   3HD1  ILE   4          3HD1      ILE   4  -3.757  -3.918   8.237
   34    H    ALA   5           H        ALA   5  -1.312  -2.157   6.171
   35    HA   ALA   5           HA       ALA   5   1.538  -1.620   6.066
   36   1HB   ALA   5          1HB       ALA   5   0.199  -0.873   3.913
   37   2HB   ALA   5          2HB       ALA   5   1.513   0.102   4.570
   38   3HB   ALA   5          3HB       ALA   5  -0.158   0.525   4.922
   39    H    LYS   6           H        LYS   6   1.825  -1.076   8.262
   40    HA   LYS   6           HA       LYS   6  -0.220   0.742   9.329
   41   1HB   LYS   6          2HB       LYS   6   0.550  -1.466  10.447
   42   2HB   LYS   6          1HB       LYS   6   1.953  -0.537  10.942
   43   1HG   LYS   6          2HG       LYS   6  -0.341   0.961  11.618
   44   2HG   LYS   6          1HG       LYS   6  -0.610  -0.695  12.138
   45   1HD   LYS   6          2HD       LYS   6   1.452  -0.692  13.389
   46   2HD   LYS   6          1HD       LYS   6   1.856   0.916  12.784
   47   1HE   LYS   6          2HE       LYS   6  -0.337   1.672  13.861
   48   2HE   LYS   6          1HE       LYS   6  -0.316   0.122  14.703
   49   1HZ   LYS   6          1HZ       LYS   6   1.103   0.954  16.162
   50   2HZ   LYS   6          2HZ       LYS   6   1.027   2.460  15.398
   51   3HZ   LYS   6          3HZ       LYS   6   2.210   1.340  14.942
   52    H    HIS   7           H        HIS   7   0.311   2.730   8.619
   53    HA   HIS   7           HA       HIS   7   2.079   4.102  10.173
   54   1HB   HIS   7          2HB       HIS   7   3.268   3.229   7.733
   55   2HB   HIS   7          1HB       HIS   7   2.947   4.951   7.549
   56    HD1  HIS   7           HD1      HIS   7   3.541   4.602  11.013
   57    HD2  HIS   7           HD2      HIS   7   5.972   4.580   7.654
   58    HE1  HIS   7           HE1      HIS   7   5.856   5.096  11.853
   59    HE2  HIS   7           HE2      HIS   7   7.328   4.911   9.821
   60    H    ASP   8           H        ASP   8   0.668   5.923  10.564
   61    HA   ASP   8           HA       ASP   8  -1.218   6.558   8.410
   62   1HB   ASP   8          2HB       ASP   8  -2.123   6.438  10.723
   63   2HB   ASP   8          1HB       ASP   8  -1.030   7.729  11.209
   64    H    PHE   9           H        PHE   9  -0.262   7.623   6.880
   65    HA   PHE   9           HA       PHE   9   1.262  10.066   7.573
   66   1HB   PHE   9          2HB       PHE   9   1.907   7.875   5.780
   67   2HB   PHE   9          1HB       PHE   9   1.908   9.419   4.933
   68    HD1  PHE   9           HD1      PHE   9   3.304  11.301   5.890
   69    HD2  PHE   9           HD2      PHE   9   3.697   7.249   7.128
   70    HE1  PHE   9           HE1      PHE   9   5.542  11.796   6.786
   71    HE2  PHE   9           HE2      PHE   9   5.934   7.736   8.027
   72    HZ   PHE   9           HZ       PHE   9   6.859  10.012   7.857
   73    H    SER  10           H        SER  10   0.426  11.919   6.912
   74    HA   SER  10           HA       SER  10  -2.013  11.827   5.361
   75   1HB   SER  10          2HB       SER  10  -1.145  13.551   7.329
   76   2HB   SER  10          1HB       SER  10  -0.935  14.506   5.862
   77    HG   SER  10           HG       SER  10  -3.225  13.738   7.133
   78    H    ALA  11           H        ALA  11  -2.387  13.273   3.572
   79    HA   ALA  11           HA       ALA  11  -0.479  12.846   1.514
   80   1HB   ALA  11          1HB       ALA  11  -3.123  13.105   1.520
   81   2HB   ALA  11          2HB       ALA  11  -2.134  13.367   0.084
   82   3HB   ALA  11          3HB       ALA  11  -2.685  14.744   1.038
   83    H    THR  12           H        THR  12   1.033  14.003   0.700
   84    HA   THR  12           HA       THR  12   1.305  16.853   1.412
   85    HB   THR  12           HB       THR  12   3.039  15.533   2.480
   86    HG1  THR  12           HG1      THR  12   4.740  16.685   1.747
   87   1HG2  THR  12          1HG2      THR  12   4.227  13.872   1.573
   88   2HG2  THR  12          2HG2      THR  12   4.380  14.690   0.019
   89   3HG2  THR  12          3HG2      THR  12   2.909  13.799   0.405
   90    H    ALA  13           H        ALA  13   0.728  14.655  -1.032
   91    HA   ALA  13           HA       ALA  13   1.057  16.633  -3.095
   92   1HB   ALA  13          1HB       ALA  13   3.285  15.554  -3.067
   93   2HB   ALA  13          2HB       ALA  13   2.415  15.228  -4.567
   94   3HB   ALA  13          3HB       ALA  13   2.514  13.988  -3.318
   95    H    ASP  14           H        ASP  14  -0.332  16.225  -4.768
   96    HA   ASP  14           HA       ASP  14  -2.612  14.683  -4.284
   97   1HB   ASP  14          2HB       ASP  14  -2.486  16.684  -5.793
   98   2HB   ASP  14          1HB       ASP  14  -1.771  15.633  -7.012
   99    H    ASP  15           H        ASP  15   0.250  13.856  -6.252
  100    HA   ASP  15           HA       ASP  15  -1.057  11.381  -7.085
  101   1HB   ASP  15          2HB       ASP  15   0.780  12.873  -8.396
  102   2HB   ASP  15          1HB       ASP  15   1.844  11.725  -7.588
  103    H    GLU  16           H        GLU  16   0.240  12.351  -4.281
  104    HA   GLU  16           HA       GLU  16   1.466   9.732  -3.675
  105   1HB   GLU  16          2HB       GLU  16   2.580  12.024  -3.054
  106   2HB   GLU  16          1HB       GLU  16   1.383  12.049  -1.767
  107   1HG   GLU  16          2HG       GLU  16   2.719  10.795  -0.539
  108   2HG   GLU  16          1HG       GLU  16   2.546   9.493  -1.714
  109    H    LEU  17           H        LEU  17   0.039   8.283  -2.974
  110    HA   LEU  17           HA       LEU  17  -2.549   9.083  -2.052
  111   1HB   LEU  17          2HB       LEU  17  -1.873   6.946  -3.356
  112   2HB   LEU  17          1HB       LEU  17  -1.362   6.327  -1.799
  113    HG   LEU  17           HG       LEU  17  -3.642   6.575  -0.936
  114   1HD1  LEU  17          1HD1      LEU  17  -5.284   6.878  -3.068
  115   2HD1  LEU  17          2HD1      LEU  17  -3.981   7.989  -3.483
  116   3HD1  LEU  17          3HD1      LEU  17  -4.842   8.171  -1.954
  117   1HD2  LEU  17          1HD2      LEU  17  -4.689   4.960  -2.781
  118   2HD2  LEU  17          2HD2      LEU  17  -3.450   4.426  -1.645
  119   3HD2  LEU  17          3HD2      LEU  17  -3.000   4.886  -3.284
  120    H    SER  18           H        SER  18  -3.115   9.500  -0.006
  121    HA   SER  18           HA       SER  18  -1.272   8.848   2.161
  122   1HB   SER  18          2HB       SER  18  -2.036  11.063   2.378
  123   2HB   SER  18          1HB       SER  18  -3.678  10.639   1.898
  124    HG   SER  18           HG       SER  18  -3.555  11.001   4.136
  125    H    PHE  19           H        PHE  19  -2.262   8.102   4.222
  126    HA   PHE  19           HA       PHE  19  -4.664   6.647   4.215
  127   1HB   PHE  19          2HB       PHE  19  -2.265   5.183   3.338
  128   2HB   PHE  19          1HB       PHE  19  -3.152   4.390   4.637
  129    HD1  PHE  19           HD1      PHE  19  -2.737   4.207   1.331
  130    HD2  PHE  19           HD2      PHE  19  -5.888   4.827   4.119
  131    HE1  PHE  19           HE1      PHE  19  -4.353   3.355  -0.311
  132    HE2  PHE  19           HE2      PHE  19  -7.513   3.973   2.483
  133    HZ   PHE  19           HZ       PHE  19  -6.744   3.237   0.259
  134    H    ARG  20           H        ARG  20  -4.517   4.817   6.009
  135    HA   ARG  20           HA       ARG  20  -3.428   6.155   8.383
  136   1HB   ARG  20          2HB       ARG  20  -5.942   5.934   8.148
  137   2HB   ARG  20          1HB       ARG  20  -5.716   4.199   8.320
  138   1HG   ARG  20          2HG       ARG  20  -5.372   4.328  10.525
  139   2HG   ARG  20          1HG       ARG  20  -4.408   5.799  10.391
  140   1HD   ARG  20          2HD       ARG  20  -6.366   6.359  11.604
  141   2HD   ARG  20          1HD       ARG  20  -6.549   7.047   9.992
  142    HE   ARG  20           HE       ARG  20  -7.874   4.872   9.584
  143   1HH1  ARG  20          1HH1      ARG  20  -7.834   6.682  12.578
  144   2HH1  ARG  20          2HH1      ARG  20  -9.412   6.157  13.052
  145   1HH2  ARG  20          1HH2      ARG  20  -9.940   4.191  10.214
  146   2HH2  ARG  20          2HH2      ARG  20 -10.611   4.753  11.708
  147    H    LYS  21           H        LYS  21  -2.698   4.798  10.130
  148    HA   LYS  21           HA       LYS  21  -1.061   2.656   9.278
  149   1HB   LYS  21          2HB       LYS  21  -0.493   2.429  11.626
  150   2HB   LYS  21          1HB       LYS  21  -0.559   4.130  11.215
  151   1HG   LYS  21          2HG       LYS  21  -3.109   3.147  12.166
  152   2HG   LYS  21          1HG       LYS  21  -1.816   2.902  13.340
  153   1HD   LYS  21          2HD       LYS  21  -1.532   5.506  12.223
  154   2HD   LYS  21          1HD       LYS  21  -3.215   5.295  12.710
  155   1HE   LYS  21          2HE       LYS  21  -2.511   5.865  14.752
  156   2HE   LYS  21          1HE       LYS  21  -1.845   4.235  14.831
  157   1HZ   LYS  21          1HZ       LYS  21  -0.202   6.292  13.568
  158   2HZ   LYS  21          2HZ       LYS  21   0.259   4.981  14.533
  159   3HZ   LYS  21          3HZ       LYS  21  -0.378   6.373  15.250
  160    H    THR  22           H        THR  22  -1.379   0.515   9.367
  161    HA   THR  22           HA       THR  22  -2.261  -1.509   9.779
  162    HB   THR  22           HB       THR  22  -4.592  -0.264  11.193
  163    HG1  THR  22           HG1      THR  22  -2.326  -1.068  12.606
  164   1HG2  THR  22          1HG2      THR  22  -5.026  -2.296  12.009
  165   2HG2  THR  22          2HG2      THR  22  -3.321  -2.673  12.245
  166   3HG2  THR  22          3HG2      THR  22  -4.054  -2.874  10.655
  167    H    GLN  23           H        GLN  23  -3.458   0.709   7.696
  168    HA   GLN  23           HA       GLN  23  -5.867  -0.808   7.154
  169   1HB   GLN  23          2HB       GLN  23  -4.825   1.725   6.012
  170   2HB   GLN  23          1HB       GLN  23  -5.973   0.778   5.075
  171   1HG   GLN  23          2HG       GLN  23  -7.023   0.879   7.660
  172   2HG   GLN  23          1HG       GLN  23  -6.425   2.503   7.326
  173   1HE2  GLN  23          1HE2      GLN  23  -9.008   2.357   7.671
  174   2HE2  GLN  23          2HE2      GLN  23  -9.875   2.457   6.180
  175    H    ILE  24           H        ILE  24  -6.395  -1.896   5.310
  176    HA   ILE  24           HA       ILE  24  -4.136  -3.280   4.081
  177    HB   ILE  24           HB       ILE  24  -5.985  -4.753   3.114
  178   1HG1  ILE  24          2HG1      ILE  24  -7.612  -3.241   5.171
  179   2HG1  ILE  24          1HG1      ILE  24  -7.842  -3.167   3.427
  180   1HG2  ILE  24          1HG2      ILE  24  -5.490  -4.529   6.070
  181   2HG2  ILE  24          2HG2      ILE  24  -4.667  -5.566   4.905
  182   3HG2  ILE  24          3HG2      ILE  24  -6.347  -5.882   5.334
  183   1HD1  ILE  24          1HD1      ILE  24  -9.364  -4.758   3.747
  184   2HD1  ILE  24          2HD1      ILE  24  -8.757  -5.136   5.360
  185   3HD1  ILE  24          3HD1      ILE  24  -7.994  -5.852   3.940
  186    H    LEU  25           H        LEU  25  -3.582  -3.186   1.957
  187    HA   LEU  25           HA       LEU  25  -5.237  -1.473   0.221
  188   1HB   LEU  25          2HB       LEU  25  -2.399  -1.427   0.862
  189   2HB   LEU  25          1HB       LEU  25  -2.705  -1.409  -0.865
  190    HG   LEU  25           HG       LEU  25  -2.524   0.859  -0.080
  191   1HD1  LEU  25          1HD1      LEU  25  -5.470   0.527  -0.406
  192   2HD1  LEU  25          2HD1      LEU  25  -4.393   0.048  -1.717
  193   3HD1  LEU  25          3HD1      LEU  25  -4.382   1.709  -1.133
  194   1HD2  LEU  25          1HD2      LEU  25  -3.452  -0.002   2.286
  195   2HD2  LEU  25          2HD2      LEU  25  -4.927   0.713   1.637
  196   3HD2  LEU  25          3HD2      LEU  25  -3.470   1.693   1.803
  197    H    LYS  26           H        LYS  26  -5.462  -1.981  -1.944
  198    HA   LYS  26           HA       LYS  26  -5.314  -4.801  -2.651
  199   1HB   LYS  26          2HB       LYS  26  -6.612  -2.328  -3.695
  200   2HB   LYS  26          1HB       LYS  26  -6.376  -3.673  -4.798
  201   1HG   LYS  26          2HG       LYS  26  -7.688  -4.106  -2.146
  202   2HG   LYS  26          1HG       LYS  26  -8.602  -3.468  -3.515
  203   1HD   LYS  26          2HD       LYS  26  -7.081  -5.686  -4.431
  204   2HD   LYS  26          1HD       LYS  26  -7.904  -6.168  -2.947
  205   1HE   LYS  26          2HE       LYS  26  -9.805  -4.738  -4.414
  206   2HE   LYS  26          1HE       LYS  26  -8.974  -5.750  -5.594
  207   1HZ   LYS  26          1HZ       LYS  26  -9.351  -7.519  -3.672
  208   2HZ   LYS  26          2HZ       LYS  26 -10.496  -7.239  -4.883
  209   3HZ   LYS  26          3HZ       LYS  26 -10.681  -6.521  -3.362
  210    H    ILE  27           H        ILE  27  -3.180  -5.297  -3.199
  211    HA   ILE  27           HA       ILE  27  -1.604  -3.548  -4.861
  212    HB   ILE  27           HB       ILE  27  -0.830  -6.403  -4.533
  213   1HG1  ILE  27          2HG1      ILE  27  -1.652  -5.839  -2.311
  214   2HG1  ILE  27          1HG1      ILE  27   0.107  -5.898  -2.295
  215   1HG2  ILE  27          1HG2      ILE  27   0.688  -5.090  -5.762
  216   2HG2  ILE  27          2HG2      ILE  27   1.396  -5.250  -4.154
  217   3HG2  ILE  27          3HG2      ILE  27   0.584  -3.754  -4.615
  218   1HD1  ILE  27          1HD1      ILE  27  -0.614  -4.016  -1.022
  219   2HD1  ILE  27          2HD1      ILE  27  -1.623  -3.441  -2.345
  220   3HD1  ILE  27          3HD1      ILE  27   0.134  -3.431  -2.505
  221    H    LEU  28           H        LEU  28  -1.280  -3.631  -7.082
  222    HA   LEU  28           HA       LEU  28  -3.115  -5.390  -8.487
  223   1HB   LEU  28          2HB       LEU  28  -3.104  -3.902 -10.215
  224   2HB   LEU  28          1HB       LEU  28  -2.742  -2.850  -8.864
  225    HG   LEU  28           HG       LEU  28  -0.572  -3.987 -10.617
  226   1HD1  LEU  28          1HD1      LEU  28  -0.840  -1.365 -11.346
  227   2HD1  LEU  28          2HD1      LEU  28  -2.517  -1.892 -11.206
  228   3HD1  LEU  28          3HD1      LEU  28  -1.412  -2.749 -12.278
  229   1HD2  LEU  28          1HD2      LEU  28  -0.787  -1.800  -8.584
  230   2HD2  LEU  28          2HD2      LEU  28   0.506  -1.827  -9.786
  231   3HD2  LEU  28          3HD2      LEU  28   0.344  -3.149  -8.635
  232    H    ASN  29           H        ASN  29   0.409  -4.736  -8.697
  233    HA   ASN  29           HA       ASN  29   0.786  -7.392  -9.873
  234   1HB   ASN  29          2HB       ASN  29   1.098  -5.019 -11.340
  235   2HB   ASN  29          1HB       ASN  29   2.730  -5.410 -10.804
  236   1HD2  ASN  29          1HD2      ASN  29   0.690  -5.755 -13.275
  237   2HD2  ASN  29          2HD2      ASN  29   1.251  -7.244 -13.947
  238    H    MET  30           H        MET  30   3.428  -7.766  -9.721
  239    HA   MET  30           HA       MET  30   3.774  -7.600  -6.889
  240   1HB   MET  30          2HB       MET  30   4.587  -9.448  -8.513
  241   2HB   MET  30          1HB       MET  30   5.915  -8.358  -8.876
  242   1HG   MET  30          2HG       MET  30   7.017  -8.990  -7.069
  243   2HG   MET  30          1HG       MET  30   5.630  -8.651  -6.036
  244   1HE   MET  30          1HE       MET  30   7.435 -10.364  -5.112
  245   2HE   MET  30          2HE       MET  30   7.453 -12.088  -5.482
  246   3HE   MET  30          3HE       MET  30   6.234 -11.434  -4.387
  247    H    GLU  31           H        GLU  31   4.015  -5.731  -6.141
  248    HA   GLU  31           HA       GLU  31   6.302  -3.988  -6.815
  249   1HB   GLU  31          2HB       GLU  31   3.490  -3.694  -7.332
  250   2HB   GLU  31          1HB       GLU  31   3.946  -2.506  -6.125
  251   1HG   GLU  31          2HG       GLU  31   4.802  -1.211  -7.692
  252   2HG   GLU  31          1HG       GLU  31   5.920  -2.490  -8.161
  253    H    ASP  32           H        ASP  32   4.407  -5.683  -4.614
  254    HA   ASP  32           HA       ASP  32   4.431  -4.185  -2.229
  255   1HB   ASP  32          2HB       ASP  32   4.025  -6.399  -1.202
  256   2HB   ASP  32          1HB       ASP  32   2.954  -6.065  -2.558
  257    H    ASP  33           H        ASP  33   7.073  -5.063  -3.958
  258    HA   ASP  33           HA       ASP  33   8.668  -5.516  -1.533
  259   1HB   ASP  33          2HB       ASP  33   8.950  -6.675  -4.294
  260   2HB   ASP  33          1HB       ASP  33  10.371  -6.492  -3.271
  261    H    SER  34           H        SER  34  10.465  -4.888  -4.414
  262    HA   SER  34           HA       SER  34  12.084  -3.140  -4.406
  263   1HB   SER  34          2HB       SER  34   9.851  -1.519  -5.445
  264   2HB   SER  34          1HB       SER  34  11.294  -2.108  -6.261
  265    HG   SER  34           HG       SER  34   8.902  -3.526  -5.722
  266    H    ASN  35           H        ASN  35   9.944  -0.407  -4.302
  267    HA   ASN  35           HA       ASN  35  10.287  -0.028  -1.430
  268   1HB   ASN  35          2HB       ASN  35  11.961   1.121  -3.451
  269   2HB   ASN  35          1HB       ASN  35  11.002   2.406  -2.722
  270   1HD2  ASN  35          1HD2      ASN  35  13.868   0.957  -2.532
  271   2HD2  ASN  35          2HD2      ASN  35  14.210   1.137  -0.848
  272    H    TRP  36           H        TRP  36   8.837   0.923  -4.484
  273    HA   TRP  36           HA       TRP  36   6.654   2.212  -2.994
  274   1HB   TRP  36          2HB       TRP  36   6.981   3.319  -5.670
  275   2HB   TRP  36          1HB       TRP  36   6.792   4.146  -4.132
  276    HD1  TRP  36           HD1      TRP  36   9.043   4.879  -2.847
  277    HE1  TRP  36           HE1      TRP  36  11.440   5.247  -3.706
  278    HE3  TRP  36           HE3      TRP  36   8.694   2.442  -7.332
  279    HZ2  TRP  36           HZ2      TRP  36  12.973   4.603  -5.969
  280    HZ3  TRP  36           HZ3      TRP  36  10.678   2.369  -8.787
  281    HH2  TRP  36           HH2      TRP  36  12.773   3.428  -8.116
  282    H    TYR  37           H        TYR  37   5.000   0.836  -3.206
  283    HA   TYR  37           HA       TYR  37   4.661  -0.615  -5.724
  284   1HB   TYR  37          2HB       TYR  37   3.328  -2.192  -4.498
  285   2HB   TYR  37          1HB       TYR  37   4.801  -1.883  -3.593
  286    HD1  TYR  37           HD1      TYR  37   1.178  -1.260  -3.720
  287    HD2  TYR  37           HD2      TYR  37   4.752  -0.920  -1.448
  288    HE1  TYR  37           HE1      TYR  37  -0.151  -0.761  -1.711
  289    HE2  TYR  37           HE2      TYR  37   3.441  -0.417   0.550
  290    HH   TYR  37           HH       TYR  37  -0.054   0.020   0.411
  291    H    ARG  38           H        ARG  38   2.594  -0.885  -6.697
  292    HA   ARG  38           HA       ARG  38   0.912   1.510  -6.445
  293   1HB   ARG  38          2HB       ARG  38   0.601  -0.588  -8.559
  294   2HB   ARG  38          1HB       ARG  38   0.132   1.095  -8.627
  295   1HG   ARG  38          2HG       ARG  38   2.588   1.651  -8.605
  296   2HG   ARG  38          1HG       ARG  38   2.889  -0.074  -8.844
  297   1HD   ARG  38          2HD       ARG  38   1.232   0.154 -10.812
  298   2HD   ARG  38          1HD       ARG  38   1.545   1.882 -10.668
  299    HE   ARG  38           HE       ARG  38   3.785   0.016 -11.012
  300   1HH1  ARG  38          1HH1      ARG  38   1.851   2.674 -12.206
  301   2HH1  ARG  38          2HH1      ARG  38   2.963   3.073 -13.470
  302   1HH2  ARG  38          1HH2      ARG  38   5.242   0.549 -12.683
  303   2HH2  ARG  38          2HH2      ARG  38   4.875   1.864 -13.749
  304    H    ALA  39           H        ALA  39  -0.816   1.336  -5.224
  305    HA   ALA  39           HA       ALA  39  -2.165  -1.264  -4.935
  306   1HB   ALA  39          1HB       ALA  39  -1.015   0.344  -2.957
  307   2HB   ALA  39          2HB       ALA  39  -2.086  -1.034  -2.709
  308   3HB   ALA  39          3HB       ALA  39  -2.752   0.596  -2.801
  309    H    GLU  40           H        GLU  40  -4.494  -0.963  -4.131
  310    HA   GLU  40           HA       GLU  40  -5.735   1.338  -5.455
  311   1HB   GLU  40          2HB       GLU  40  -5.651  -0.595  -7.039
  312   2HB   GLU  40          1HB       GLU  40  -6.653  -1.505  -5.919
  313   1HG   GLU  40          2HG       GLU  40  -8.142   0.743  -6.261
  314   2HG   GLU  40          1HG       GLU  40  -7.379   0.589  -7.836
  315    H    LEU  41           H        LEU  41  -7.934   1.741  -4.904
  316    HA   LEU  41           HA       LEU  41  -9.170   0.311  -2.733
  317   1HB   LEU  41          2HB       LEU  41  -7.455   1.810  -1.636
  318   2HB   LEU  41          1HB       LEU  41  -8.369   3.177  -2.247
  319    HG   LEU  41           HG       LEU  41 -10.280   1.648  -0.937
  320   1HD1  LEU  41          1HD1      LEU  41  -7.723   1.666   0.659
  321   2HD1  LEU  41          2HD1      LEU  41  -8.607   0.251   0.094
  322   3HD1  LEU  41          3HD1      LEU  41  -9.321   1.308   1.312
  323   1HD2  LEU  41          1HD2      LEU  41  -8.994   4.227  -0.683
  324   2HD2  LEU  41          2HD2      LEU  41  -9.453   3.574   0.889
  325   3HD2  LEU  41          3HD2      LEU  41 -10.668   3.763  -0.375
  326    H    ASP  42           H        ASP  42 -11.301   0.609  -2.692
  327    HA   ASP  42           HA       ASP  42 -13.377   1.136  -3.450
  328   1HB   ASP  42          2HB       ASP  42 -12.731   3.296  -2.322
  329   2HB   ASP  42          1HB       ASP  42 -12.258   3.910  -3.902
  330    H    GLY  43           H        GLY  43 -11.605   3.400  -5.510
  331   1HA   GLY  43          2HA       GLY  43 -11.828   1.698  -7.836
  332   2HA   GLY  43          1HA       GLY  43 -12.904   3.088  -7.858
  333    H    LYS  44           H        LYS  44 -10.452   4.228  -6.152
  334    HA   LYS  44           HA       LYS  44  -9.151   5.429  -8.481
  335   1HB   LYS  44          2HB       LYS  44  -8.104   6.872  -6.548
  336   2HB   LYS  44          1HB       LYS  44  -9.768   7.165  -7.030
  337   1HG   LYS  44          2HG       LYS  44 -10.629   6.288  -5.102
  338   2HG   LYS  44          1HG       LYS  44  -9.241   5.232  -4.833
  339   1HD   LYS  44          2HD       LYS  44  -8.863   8.188  -4.720
  340   2HD   LYS  44          1HD       LYS  44  -9.613   7.365  -3.351
  341   1HE   LYS  44          2HE       LYS  44  -7.099   6.254  -4.495
  342   2HE   LYS  44          1HE       LYS  44  -7.004   7.698  -3.489
  343   1HZ   LYS  44          1HZ       LYS  44  -6.861   5.317  -2.449
  344   2HZ   LYS  44          2HZ       LYS  44  -8.549   5.413  -2.500
  345   3HZ   LYS  44          3HZ       LYS  44  -7.663   6.567  -1.638
  346    H    GLU  45           H        GLU  45  -6.976   5.132  -8.865
  347    HA   GLU  45           HA       GLU  45  -5.626   3.082  -7.265
  348   1HB   GLU  45          2HB       GLU  45  -4.647   4.329  -9.837
  349   2HB   GLU  45          1HB       GLU  45  -4.120   2.818  -9.108
  350   1HG   GLU  45          2HG       GLU  45  -6.978   3.028  -9.825
  351   2HG   GLU  45          1HG       GLU  45  -5.822   2.937 -11.151
  352    H    GLY  46           H        GLY  46  -3.432   3.450  -6.457
  353   1HA   GLY  46          2HA       GLY  46  -2.440   6.174  -6.584
  354   2HA   GLY  46          1HA       GLY  46  -3.030   5.683  -5.012
  355    H    LEU  47           H        LEU  47  -0.406   6.557  -5.561
  356    HA   LEU  47           HA       LEU  47   1.225   4.127  -5.464
  357   1HB   LEU  47          2HB       LEU  47   1.717   6.951  -6.118
  358   2HB   LEU  47          1HB       LEU  47   2.991   6.190  -5.186
  359    HG   LEU  47           HG       LEU  47   2.960   4.344  -6.964
  360   1HD1  LEU  47          1HD1      LEU  47   1.037   4.642  -8.195
  361   2HD1  LEU  47          2HD1      LEU  47   2.238   5.431  -9.220
  362   3HD1  LEU  47          3HD1      LEU  47   1.180   6.399  -8.194
  363   1HD2  LEU  47          1HD2      LEU  47   4.231   5.928  -8.579
  364   2HD2  LEU  47          2HD2      LEU  47   4.851   5.676  -6.947
  365   3HD2  LEU  47          3HD2      LEU  47   3.948   7.142  -7.331
  366    H    ILE  48           H        ILE  48   2.510   3.576  -3.680
  367    HA   ILE  48           HA       ILE  48   2.447   5.224  -1.289
  368    HB   ILE  48           HB       ILE  48   0.655   2.963  -1.743
  369   1HG1  ILE  48          2HG1      ILE  48  -0.122   5.196  -1.151
  370   2HG1  ILE  48          1HG1      ILE  48  -0.632   4.014   0.046
  371   1HG2  ILE  48          1HG2      ILE  48   2.138   2.994   0.866
  372   2HG2  ILE  48          2HG2      ILE  48   2.268   1.765  -0.381
  373   3HG2  ILE  48          3HG2      ILE  48   0.745   1.998   0.474
  374   1HD1  ILE  48          1HD1      ILE  48   0.036   5.915   1.244
  375   2HD1  ILE  48          2HD1      ILE  48   1.504   6.102   0.285
  376   3HD1  ILE  48          3HD1      ILE  48   1.351   4.758   1.419
  377    HA   PRO  49           HA       PRO  49   6.270   3.137  -0.342
  378   1HB   PRO  49          2HB       PRO  49   5.684   3.266   2.516
  379   2HB   PRO  49          1HB       PRO  49   6.884   4.154   1.572
  380   1HG   PRO  49          2HG       PRO  49   4.721   5.373   2.598
  381   2HG   PRO  49          1HG       PRO  49   5.403   5.846   1.036
  382   1HD   PRO  49          2HD       PRO  49   3.068   4.055   1.612
  383   2HD   PRO  49          1HD       PRO  49   3.183   5.413   0.471
  384    H    SER  50           H        SER  50   7.045   1.218  -0.247
  385    HA   SER  50           HA       SER  50   5.416  -1.064   0.468
  386   1HB   SER  50          2HB       SER  50   7.709  -0.619  -1.161
  387   2HB   SER  50          1HB       SER  50   8.183  -1.758   0.099
  388    HG   SER  50           HG       SER  50   6.328  -2.044  -1.959
  389    H    ASN  51           H        ASN  51   8.012   0.756   1.898
  390    HA   ASN  51           HA       ASN  51   8.682  -1.095   3.917
  391   1HB   ASN  51          2HB       ASN  51   9.116   1.655   4.744
  392   2HB   ASN  51          1HB       ASN  51  10.281   0.375   4.443
  393   1HD2  ASN  51          1HD2      ASN  51  10.180   3.288   3.800
  394   2HD2  ASN  51          2HD2      ASN  51  10.529   3.375   2.111
  395    H    TYR  52           H        TYR  52   5.944   0.922   3.605
  396    HA   TYR  52           HA       TYR  52   5.453   1.002   6.491
  397   1HB   TYR  52          2HB       TYR  52   3.829   2.148   4.210
  398   2HB   TYR  52          1HB       TYR  52   3.481   2.364   5.920
  399    HD1  TYR  52           HD1      TYR  52   3.602   4.740   4.476
  400    HD2  TYR  52           HD2      TYR  52   6.881   2.463   5.954
  401    HE1  TYR  52           HE1      TYR  52   4.991   6.767   4.498
  402    HE2  TYR  52           HE2      TYR  52   8.280   4.487   5.981
  403    HH   TYR  52           HH       TYR  52   7.176   7.485   5.933
  404    H    ILE  53           H        ILE  53   5.168  -1.193   4.154
  405    HA   ILE  53           HA       ILE  53   2.753  -2.414   5.308
  406    HB   ILE  53           HB       ILE  53   2.105  -3.292   3.213
  407   1HG1  ILE  53          2HG1      ILE  53   4.084  -2.296   1.390
  408   2HG1  ILE  53          1HG1      ILE  53   4.883  -3.250   2.629
  409   1HG2  ILE  53          1HG2      ILE  53   1.260  -1.328   2.663
  410   2HG2  ILE  53          2HG2      ILE  53   2.728  -0.991   1.769
  411   3HG2  ILE  53          3HG2      ILE  53   2.597  -0.485   3.441
  412   1HD1  ILE  53          1HD1      ILE  53   2.458  -4.387   1.377
  413   2HD1  ILE  53          2HD1      ILE  53   3.918  -5.188   1.955
  414   3HD1  ILE  53          3HD1      ILE  53   3.933  -4.325   0.416
  415    H    GLU  54           H        GLU  54   2.696  -4.646   5.248
  416    HA   GLU  54           HA       GLU  54   5.155  -6.176   4.864
  417   1HB   GLU  54          2HB       GLU  54   3.958  -5.540   7.434
  418   2HB   GLU  54          1HB       GLU  54   3.950  -7.275   7.154
  419   1HG   GLU  54          2HG       GLU  54   6.344  -7.259   6.797
  420   2HG   GLU  54          1HG       GLU  54   6.378  -5.506   6.966
  421    H    MET  55           H        MET  55   4.715  -8.216   4.010
  422    HA   MET  55           HA       MET  55   2.029  -8.677   3.215
  423   1HB   MET  55          2HB       MET  55   4.430  -9.350   2.163
  424   2HB   MET  55          1HB       MET  55   3.956 -10.887   2.877
  425   1HG   MET  55          2HG       MET  55   1.903 -10.883   1.616
  426   2HG   MET  55          1HG       MET  55   2.269  -9.283   0.974
  427   1HE   MET  55          1HE       MET  55   2.428  -9.517  -1.558
  428   2HE   MET  55          2HE       MET  55   1.494 -10.971  -1.213
  429   3HE   MET  55          3HE       MET  55   2.854 -11.042  -2.334
  430    H    LYS  56           H        LYS  56   0.493  -9.922   4.183
  431    HA   LYS  56           HA       LYS  56   1.093 -11.364   6.650
  432   1HB   LYS  56          2HB       LYS  56  -1.080 -11.073   7.078
  433   2HB   LYS  56          1HB       LYS  56  -1.154 -10.072   5.642
  434   1HG   LYS  56          2HG       LYS  56  -1.458 -12.934   5.102
  435   2HG   LYS  56          1HG       LYS  56  -2.703 -12.255   6.141
  436   1HD   LYS  56          2HD       LYS  56  -2.958 -10.416   4.435
  437   2HD   LYS  56          1HD       LYS  56  -1.930 -11.375   3.369
  438   1HE   LYS  56          2HE       LYS  56  -4.611 -12.142   4.515
  439   2HE   LYS  56          1HE       LYS  56  -4.222 -11.824   2.827
  440   1HZ   LYS  56          1HZ       LYS  56  -2.511 -13.840   3.719
  441   2HZ   LYS  56          2HZ       LYS  56  -3.764 -13.962   2.590
  442   3HZ   LYS  56          3HZ       LYS  56  -4.072 -14.254   4.226
  443    H    ASN  57           H        ASN  57   1.796 -13.388   6.725
  444    HA   ASN  57           HA       ASN  57   1.682 -14.909   4.230
  445   1HB   ASN  57          2HB       ASN  57   3.127 -16.583   5.625
  446   2HB   ASN  57          1HB       ASN  57   3.854 -15.118   4.975
  447   1HD2  ASN  57          1HD2      ASN  57   2.107 -16.190   7.880
  448   2HD2  ASN  57          2HD2      ASN  57   3.106 -15.336   8.998
  449    H    HIS  58           H        HIS  58   0.388 -14.960   7.462
  450    HA   HIS  58           HA       HIS  58  -0.745 -16.698   8.622
  451   1HB   HIS  58          2HB       HIS  58  -2.231 -15.537   6.344
  452   2HB   HIS  58          1HB       HIS  58  -2.946 -16.969   7.078
  453    HD1  HIS  58           HD1      HIS  58  -4.543 -16.408   8.872
  454    HD2  HIS  58           HD2      HIS  58  -1.503 -13.588   8.587
  455    HE1  HIS  58           HE1      HIS  58  -5.055 -14.688  10.632
  456    HE2  HIS  58           HE2      HIS  58  -3.157 -13.037  10.498
  457    H    ASP  59           H        ASP  59  -2.479 -18.606   7.867
  458    HA   ASP  59           HA       ASP  59  -2.728 -20.731   7.061
  459   1HB   ASP  59          2HB       ASP  59  -0.544 -19.794   5.273
  460   2HB   ASP  59          1HB       ASP  59  -0.702 -21.530   5.488
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1  -5.721  -9.083  -4.623
    2   2H    MET   1          2H        MET   1  -6.812 -10.116  -3.794
    3   3H    MET   1          3H        MET   1  -5.780 -10.754  -5.007
    4    HA   MET   1           HA       MET   1  -5.277 -10.943  -2.455
    5   1HB   MET   1          2HB       MET   1  -4.066 -11.845  -4.499
    6   2HB   MET   1          1HB       MET   1  -3.113 -10.366  -4.481
    7   1HG   MET   1          2HG       MET   1  -3.294 -11.974  -1.991
    8   2HG   MET   1          1HG       MET   1  -2.278 -12.560  -3.309
    9   1HE   MET   1          1HE       MET   1  -0.366 -11.923  -3.992
   10   2HE   MET   1          2HE       MET   1   0.812 -11.051  -3.014
   11   3HE   MET   1          3HE       MET   1  -0.077 -10.210  -4.281
   12    H    GLU   2           H        GLU   2  -4.967  -9.588  -0.761
   13    HA   GLU   2           HA       GLU   2  -4.033  -6.894  -1.399
   14   1HB   GLU   2          2HB       GLU   2  -4.847  -6.314   0.887
   15   2HB   GLU   2          1HB       GLU   2  -6.082  -6.884  -0.225
   16   1HG   GLU   2          2HG       GLU   2  -5.194  -9.179   1.083
   17   2HG   GLU   2          1HG       GLU   2  -5.272  -7.940   2.333
   18    H    ALA   3           H        ALA   3  -3.060  -5.766   0.429
   19    HA   ALA   3           HA       ALA   3  -0.821  -7.160   1.733
   20   1HB   ALA   3          1HB       ALA   3   0.410  -4.947   0.975
   21   2HB   ALA   3          2HB       ALA   3  -0.706  -5.072  -0.372
   22   3HB   ALA   3          3HB       ALA   3   0.411  -6.393  -0.023
   23    H    ILE   4           H        ILE   4  -0.163  -6.054   3.682
   24    HA   ILE   4           HA       ILE   4  -2.097  -3.995   4.511
   25    HB   ILE   4           HB       ILE   4  -2.100  -6.040   5.857
   26   1HG1  ILE   4          2HG1      ILE   4  -1.445  -4.863   8.105
   27   2HG1  ILE   4          1HG1      ILE   4  -1.250  -3.451   7.077
   28   1HG2  ILE   4          1HG2      ILE   4   0.213  -6.703   5.535
   29   2HG2  ILE   4          2HG2      ILE   4  -0.195  -6.647   7.245
   30   3HG2  ILE   4          3HG2      ILE   4   0.755  -5.350   6.524
   31   1HD1  ILE   4          1HD1      ILE   4  -3.636  -4.232   6.224
   32   2HD1  ILE   4          2HD1      ILE   4  -3.415  -3.188   7.619
   33   3HD1  ILE   4          3HD1      ILE   4  -3.691  -4.908   7.854
   34    H    ALA   5           H        ALA   5  -1.352  -2.178   5.725
   35    HA   ALA   5           HA       ALA   5   1.503  -1.724   5.837
   36   1HB   ALA   5          1HB       ALA   5   0.044   0.555   4.687
   37   2HB   ALA   5          2HB       ALA   5   0.245  -0.835   3.633
   38   3HB   ALA   5          3HB       ALA   5   1.658  -0.045   4.332
   39    H    LYS   6           H        LYS   6   1.632  -1.238   8.067
   40    HA   LYS   6           HA       LYS   6  -0.497   0.566   9.029
   41   1HB   LYS   6          2HB       LYS   6   0.127  -0.256  11.281
   42   2HB   LYS   6          1HB       LYS   6  -0.406  -1.532  10.192
   43   1HG   LYS   6          2HG       LYS   6   1.466  -2.640  10.590
   44   2HG   LYS   6          1HG       LYS   6   2.393  -1.315   9.885
   45   1HD   LYS   6          2HD       LYS   6   2.976  -0.469  11.913
   46   2HD   LYS   6          1HD       LYS   6   1.457  -0.958  12.670
   47   1HE   LYS   6          2HE       LYS   6   3.333  -2.219  13.589
   48   2HE   LYS   6          1HE       LYS   6   2.226  -3.282  12.721
   49   1HZ   LYS   6          1HZ       LYS   6   3.927  -3.955  11.498
   50   2HZ   LYS   6          2HZ       LYS   6   4.973  -2.888  12.292
   51   3HZ   LYS   6          3HZ       LYS   6   4.146  -2.385  10.905
   52    H    HIS   7           H        HIS   7   0.271   2.614   8.616
   53    HA   HIS   7           HA       HIS   7   1.917   3.705  10.536
   54   1HB   HIS   7          2HB       HIS   7   3.593   2.840   8.684
   55   2HB   HIS   7          1HB       HIS   7   3.005   4.222   7.763
   56    HD1  HIS   7           HD1      HIS   7   4.453   3.582  11.224
   57    HD2  HIS   7           HD2      HIS   7   4.468   6.427   8.197
   58    HE1  HIS   7           HE1      HIS   7   6.041   5.378  11.994
   59    HE2  HIS   7           HE2      HIS   7   6.040   7.084  10.139
   60    H    ASP   8           H        ASP   8   1.174   6.023  10.617
   61    HA   ASP   8           HA       ASP   8  -1.149   6.518   9.044
   62   1HB   ASP   8          2HB       ASP   8  -0.340   7.693  11.288
   63   2HB   ASP   8          1HB       ASP   8   0.352   8.850  10.156
   64    H    PHE   9           H        PHE   9  -1.393   8.173   7.332
   65    HA   PHE   9           HA       PHE   9   0.934   9.408   6.253
   66   1HB   PHE   9          2HB       PHE   9   0.233   6.813   5.204
   67   2HB   PHE   9          1HB       PHE   9   0.086   8.043   3.952
   68    HD1  PHE   9           HD1      PHE   9   2.055   9.525   3.467
   69    HD2  PHE   9           HD2      PHE   9   2.329   6.057   5.916
   70    HE1  PHE   9           HE1      PHE   9   4.502   9.518   3.179
   71    HE2  PHE   9           HE2      PHE   9   4.771   6.042   5.633
   72    HZ   PHE   9           HZ       PHE   9   5.862   7.773   4.266
   73    H    SER  10           H        SER  10   0.216  11.299   5.833
   74    HA   SER  10           HA       SER  10  -2.502  11.587   4.750
   75   1HB   SER  10          2HB       SER  10  -1.956  14.130   5.069
   76   2HB   SER  10          1HB       SER  10  -2.426  13.166   6.466
   77    HG   SER  10           HG       SER  10   0.009  12.864   6.636
   78    H    ALA  11           H        ALA  11  -2.866  12.995   2.954
   79    HA   ALA  11           HA       ALA  11  -0.964  12.562   0.879
   80   1HB   ALA  11          1HB       ALA  11  -2.855  12.621  -0.256
   81   2HB   ALA  11          2HB       ALA  11  -2.811  14.378  -0.108
   82   3HB   ALA  11          3HB       ALA  11  -3.706  13.414   1.068
   83    H    THR  12           H        THR  12   0.517  13.780   0.026
   84    HA   THR  12           HA       THR  12   0.786  16.562   0.962
   85    HB   THR  12           HB       THR  12   3.267  15.571  -0.031
   86    HG1  THR  12           HG1      THR  12   1.940  13.825   1.756
   87   1HG2  THR  12          1HG2      THR  12   4.140  16.271   1.965
   88   2HG2  THR  12          2HG2      THR  12   2.713  15.800   2.884
   89   3HG2  THR  12          3HG2      THR  12   2.673  17.243   1.871
   90    H    ALA  13           H        ALA  13   0.257  14.594  -1.786
   91    HA   ALA  13           HA       ALA  13   0.118  16.824  -3.485
   92   1HB   ALA  13          1HB       ALA  13   2.492  15.094  -4.117
   93   2HB   ALA  13          2HB       ALA  13   2.580  16.709  -3.417
   94   3HB   ALA  13          3HB       ALA  13   1.909  16.482  -5.033
   95    H    ASP  14           H        ASP  14   0.077  16.136  -5.846
   96    HA   ASP  14           HA       ASP  14  -1.874  14.032  -6.195
   97   1HB   ASP  14          2HB       ASP  14  -1.837  14.698  -8.563
   98   2HB   ASP  14          1HB       ASP  14  -2.037  16.100  -7.513
   99    H    ASP  15           H        ASP  15   0.508  12.962  -5.198
  100    HA   ASP  15           HA       ASP  15   1.135  11.087  -7.302
  101   1HB   ASP  15          2HB       ASP  15   3.656  11.417  -6.828
  102   2HB   ASP  15          1HB       ASP  15   2.847  12.558  -7.898
  103    H    GLU  16           H        GLU  16   1.704  12.118  -3.929
  104    HA   GLU  16           HA       GLU  16   2.350   9.352  -3.241
  105   1HB   GLU  16          2HB       GLU  16   2.871  11.982  -2.079
  106   2HB   GLU  16          1HB       GLU  16   2.359  10.786  -0.894
  107   1HG   GLU  16          2HG       GLU  16   4.397   9.840  -2.777
  108   2HG   GLU  16          1HG       GLU  16   4.914  11.158  -1.728
  109    H    LEU  17           H        LEU  17   0.747   7.995  -2.759
  110    HA   LEU  17           HA       LEU  17  -1.892   8.969  -2.138
  111   1HB   LEU  17          2HB       LEU  17  -1.119   6.737  -3.348
  112   2HB   LEU  17          1HB       LEU  17  -1.089   6.120  -1.705
  113    HG   LEU  17           HG       LEU  17  -3.497   6.981  -1.506
  114   1HD1  LEU  17          1HD1      LEU  17  -4.439   6.742  -4.034
  115   2HD1  LEU  17          2HD1      LEU  17  -2.912   7.577  -4.318
  116   3HD1  LEU  17          3HD1      LEU  17  -4.109   8.278  -3.232
  117   1HD2  LEU  17          1HD2      LEU  17  -3.925   4.911  -3.384
  118   2HD2  LEU  17          2HD2      LEU  17  -3.878   4.801  -1.623
  119   3HD2  LEU  17          3HD2      LEU  17  -2.405   4.576  -2.562
  120    H    SER  18           H        SER  18  -2.686   9.336  -0.175
  121    HA   SER  18           HA       SER  18  -1.106   8.593   2.162
  122   1HB   SER  18          2HB       SER  18  -2.220  10.283   3.308
  123   2HB   SER  18          1HB       SER  18  -2.255  10.915   1.671
  124    HG   SER  18           HG       SER  18  -4.410   9.331   2.174
  125    H    PHE  19           H        PHE  19  -2.440   7.881   4.129
  126    HA   PHE  19           HA       PHE  19  -4.843   6.507   3.725
  127   1HB   PHE  19          2HB       PHE  19  -3.040   5.102   2.429
  128   2HB   PHE  19          1HB       PHE  19  -2.592   4.539   4.028
  129    HD1  PHE  19           HD1      PHE  19  -3.510   2.582   4.740
  130    HD2  PHE  19           HD2      PHE  19  -5.660   4.960   1.950
  131    HE1  PHE  19           HE1      PHE  19  -5.247   0.861   4.623
  132    HE2  PHE  19           HE2      PHE  19  -7.414   3.239   1.833
  133    HZ   PHE  19           HZ       PHE  19  -7.209   1.189   3.172
  134    H    ARG  20           H        ARG  20  -4.930   4.539   5.433
  135    HA   ARG  20           HA       ARG  20  -4.157   5.664   8.033
  136   1HB   ARG  20          2HB       ARG  20  -6.562   4.079   7.136
  137   2HB   ARG  20          1HB       ARG  20  -6.108   4.169   8.829
  138   1HG   ARG  20          2HG       ARG  20  -6.994   6.410   7.033
  139   2HG   ARG  20          1HG       ARG  20  -7.793   5.786   8.474
  140   1HD   ARG  20          2HD       ARG  20  -5.816   6.544   9.802
  141   2HD   ARG  20          1HD       ARG  20  -5.206   7.322   8.344
  142    HE   ARG  20           HE       ARG  20  -7.557   8.123   9.893
  143   1HH1  ARG  20          1HH1      ARG  20  -5.391   8.722   7.214
  144   2HH1  ARG  20          2HH1      ARG  20  -5.983  10.326   6.940
  145   1HH2  ARG  20          1HH2      ARG  20  -8.335  10.226   9.519
  146   2HH2  ARG  20          2HH2      ARG  20  -7.646  11.180   8.247
  147    H    LYS  21           H        LYS  21  -3.303   4.225   9.580
  148    HA   LYS  21           HA       LYS  21  -1.727   2.094   8.688
  149   1HB   LYS  21          2HB       LYS  21  -1.507   1.502  11.083
  150   2HB   LYS  21          1HB       LYS  21  -1.260   3.218  10.800
  151   1HG   LYS  21          2HG       LYS  21  -3.915   2.125  11.679
  152   2HG   LYS  21          1HG       LYS  21  -2.640   2.532  12.827
  153   1HD   LYS  21          2HD       LYS  21  -2.611   4.821  11.581
  154   2HD   LYS  21          1HD       LYS  21  -4.210   4.330  11.022
  155   1HE   LYS  21          2HE       LYS  21  -4.660   3.861  13.530
  156   2HE   LYS  21          1HE       LYS  21  -3.281   4.930  13.796
  157   1HZ   LYS  21          1HZ       LYS  21  -4.964   6.442  13.784
  158   2HZ   LYS  21          2HZ       LYS  21  -5.939   5.543  12.736
  159   3HZ   LYS  21          3HZ       LYS  21  -4.634   6.428  12.125
  160    H    THR  22           H        THR  22  -2.040  -0.081   8.617
  161    HA   THR  22           HA       THR  22  -3.020  -2.050   8.422
  162    HB   THR  22           HB       THR  22  -3.127  -1.605  10.914
  163    HG1  THR  22           HG1      THR  22  -3.389  -3.672  10.548
  164   1HG2  THR  22          1HG2      THR  22  -6.031  -1.868  10.885
  165   2HG2  THR  22          2HG2      THR  22  -5.452  -0.278  10.407
  166   3HG2  THR  22          3HG2      THR  22  -4.981  -0.950  11.964
  167    H    GLN  23           H        GLN  23  -4.887   0.586   7.540
  168    HA   GLN  23           HA       GLN  23  -7.366  -0.802   7.228
  169   1HB   GLN  23          2HB       GLN  23  -6.583   1.863   7.002
  170   2HB   GLN  23          1HB       GLN  23  -7.162   1.423   5.408
  171   1HG   GLN  23          2HG       GLN  23  -9.258   1.524   6.055
  172   2HG   GLN  23          1HG       GLN  23  -8.958   0.448   7.419
  173   1HE2  GLN  23          1HE2      GLN  23  -8.634   1.288   9.430
  174   2HE2  GLN  23          2HE2      GLN  23  -8.872   2.956   9.814
  175    H    ILE  24           H        ILE  24  -5.262  -2.338   6.106
  176    HA   ILE  24           HA       ILE  24  -4.585  -3.469   4.251
  177    HB   ILE  24           HB       ILE  24  -6.995  -3.988   2.949
  178   1HG1  ILE  24          2HG1      ILE  24  -8.097  -2.699   4.838
  179   2HG1  ILE  24          1HG1      ILE  24  -8.653  -4.349   4.608
  180   1HG2  ILE  24          1HG2      ILE  24  -6.074  -5.955   3.279
  181   2HG2  ILE  24          2HG2      ILE  24  -6.686  -5.923   4.933
  182   3HG2  ILE  24          3HG2      ILE  24  -5.062  -5.330   4.581
  183   1HD1  ILE  24          1HD1      ILE  24  -8.282  -3.578   6.991
  184   2HD1  ILE  24          2HD1      ILE  24  -6.559  -3.655   6.632
  185   3HD1  ILE  24          3HD1      ILE  24  -7.543  -5.107   6.522
  186    H    LEU  25           H        LEU  25  -3.651  -3.079   2.368
  187    HA   LEU  25           HA       LEU  25  -4.993  -1.213   0.525
  188   1HB   LEU  25          2HB       LEU  25  -2.392  -1.173  -0.323
  189   2HB   LEU  25          1HB       LEU  25  -3.190   0.058   0.630
  190    HG   LEU  25           HG       LEU  25  -2.131  -2.003   2.353
  191   1HD1  LEU  25          1HD1      LEU  25  -0.220  -0.715   0.415
  192   2HD1  LEU  25          2HD1      LEU  25  -0.497  -2.438   0.663
  193   3HD1  LEU  25          3HD1      LEU  25   0.269  -1.479   1.926
  194   1HD2  LEU  25          1HD2      LEU  25  -0.767   0.420   2.693
  195   2HD2  LEU  25          2HD2      LEU  25  -2.157  -0.167   3.604
  196   3HD2  LEU  25          3HD2      LEU  25  -2.396   0.854   2.189
  197    H    LYS  26           H        LYS  26  -5.074  -1.707  -1.631
  198    HA   LYS  26           HA       LYS  26  -4.836  -4.502  -2.393
  199   1HB   LYS  26          2HB       LYS  26  -6.770  -3.081  -3.038
  200   2HB   LYS  26          1HB       LYS  26  -5.688  -2.084  -3.999
  201   1HG   LYS  26          2HG       LYS  26  -6.030  -3.442  -5.716
  202   2HG   LYS  26          1HG       LYS  26  -5.230  -4.730  -4.813
  203   1HD   LYS  26          2HD       LYS  26  -7.209  -5.785  -5.087
  204   2HD   LYS  26          1HD       LYS  26  -7.685  -4.810  -3.693
  205   1HE   LYS  26          2HE       LYS  26  -9.402  -4.337  -5.134
  206   2HE   LYS  26          1HE       LYS  26  -8.274  -3.043  -5.542
  207   1HZ   LYS  26          1HZ       LYS  26  -7.428  -4.592  -7.325
  208   2HZ   LYS  26          2HZ       LYS  26  -8.970  -3.943  -7.573
  209   3HZ   LYS  26          3HZ       LYS  26  -8.801  -5.539  -7.041
  210    H    ILE  27           H        ILE  27  -3.191  -5.325  -3.739
  211    HA   ILE  27           HA       ILE  27  -1.210  -3.345  -4.654
  212    HB   ILE  27           HB       ILE  27  -0.492  -5.030  -2.918
  213   1HG1  ILE  27          2HG1      ILE  27   1.525  -5.626  -4.763
  214   2HG1  ILE  27          1HG1      ILE  27   0.833  -4.105  -5.318
  215   1HG2  ILE  27          1HG2      ILE  27   0.350  -7.196  -4.168
  216   2HG2  ILE  27          2HG2      ILE  27  -1.046  -6.869  -5.189
  217   3HG2  ILE  27          3HG2      ILE  27  -1.260  -7.113  -3.457
  218   1HD1  ILE  27          1HD1      ILE  27   2.377  -4.716  -2.890
  219   2HD1  ILE  27          2HD1      ILE  27   1.069  -3.543  -2.727
  220   3HD1  ILE  27          3HD1      ILE  27   2.351  -3.278  -3.900
  221    H    LEU  28           H        LEU  28  -0.533  -3.288  -6.790
  222    HA   LEU  28           HA       LEU  28  -2.185  -4.738  -8.635
  223   1HB   LEU  28          2HB       LEU  28  -0.069  -2.628  -8.941
  224   2HB   LEU  28          1HB       LEU  28  -0.801  -3.410 -10.330
  225    HG   LEU  28           HG       LEU  28  -2.397  -1.948  -8.231
  226   1HD1  LEU  28          1HD1      LEU  28  -2.221  -0.614 -10.783
  227   2HD1  LEU  28          2HD1      LEU  28  -0.631  -0.789 -10.044
  228   3HD1  LEU  28          3HD1      LEU  28  -1.929   0.012  -9.162
  229   1HD2  LEU  28          1HD2      LEU  28  -4.087  -2.955  -9.273
  230   2HD2  LEU  28          2HD2      LEU  28  -3.041  -3.543 -10.565
  231   3HD2  LEU  28          3HD2      LEU  28  -3.730  -1.922 -10.656
  232    H    ASN  29           H        ASN  29   1.197  -4.896  -7.637
  233    HA   ASN  29           HA       ASN  29   1.513  -7.501  -8.858
  234   1HB   ASN  29          2HB       ASN  29   2.353  -5.158 -10.267
  235   2HB   ASN  29          1HB       ASN  29   3.798  -5.978  -9.681
  236   1HD2  ASN  29          1HD2      ASN  29   3.840  -6.012 -12.200
  237   2HD2  ASN  29          2HD2      ASN  29   3.252  -7.471 -12.914
  238    H    MET  30           H        MET  30   3.939  -8.173  -8.539
  239    HA   MET  30           HA       MET  30   4.481  -7.887  -5.685
  240   1HB   MET  30          2HB       MET  30   4.390 -10.084  -6.907
  241   2HB   MET  30          1HB       MET  30   5.774  -9.564  -7.859
  242   1HG   MET  30          2HG       MET  30   7.203 -10.173  -6.274
  243   2HG   MET  30          1HG       MET  30   6.289  -9.330  -5.026
  244   1HE   MET  30          1HE       MET  30   7.592 -12.969  -5.521
  245   2HE   MET  30          2HE       MET  30   7.070 -12.990  -3.836
  246   3HE   MET  30          3HE       MET  30   7.932 -11.590  -4.475
  247    H    GLU  31           H        GLU  31   5.778  -5.968  -5.324
  248    HA   GLU  31           HA       GLU  31   7.592  -5.115  -7.370
  249   1HB   GLU  31          2HB       GLU  31   6.344  -3.706  -5.518
  250   2HB   GLU  31          1HB       GLU  31   7.766  -4.091  -4.555
  251   1HG   GLU  31          2HG       GLU  31   8.331  -2.084  -5.470
  252   2HG   GLU  31          1HG       GLU  31   9.084  -3.205  -6.595
  253    H    ASP  32           H        ASP  32   9.626  -5.647  -7.631
  254    HA   ASP  32           HA       ASP  32  10.874  -7.731  -6.734
  255   1HB   ASP  32          2HB       ASP  32  12.060  -5.115  -7.563
  256   2HB   ASP  32          1HB       ASP  32  13.104  -6.483  -7.197
  257    H    ASP  33           H        ASP  33  10.468  -4.961  -4.774
  258    HA   ASP  33           HA       ASP  33  10.737  -4.912  -2.418
  259   1HB   ASP  33          2HB       ASP  33  13.017  -6.769  -3.027
  260   2HB   ASP  33          1HB       ASP  33  13.157  -5.719  -1.629
  261    H    SER  34           H        SER  34  11.525  -2.980  -1.565
  262    HA   SER  34           HA       SER  34  12.777  -1.049  -1.423
  263   1HB   SER  34          2HB       SER  34  14.664  -2.840  -2.488
  264   2HB   SER  34          1HB       SER  34  14.624  -1.520  -3.656
  265    HG   SER  34           HG       SER  34  15.821  -1.570  -1.286
  266    H    ASN  35           H        ASN  35  10.680  -0.444  -2.306
  267    HA   ASN  35           HA       ASN  35  10.935   1.258  -4.559
  268   1HB   ASN  35          2HB       ASN  35  10.649  -1.366  -5.249
  269   2HB   ASN  35          1HB       ASN  35   8.973  -0.839  -5.208
  270   1HD2  ASN  35          1HD2      ASN  35   8.815   1.504  -6.311
  271   2HD2  ASN  35          2HD2      ASN  35   9.492   1.556  -7.889
  272    H    TRP  36           H        TRP  36   8.329   1.389  -5.395
  273    HA   TRP  36           HA       TRP  36   6.719   1.906  -2.999
  274   1HB   TRP  36          2HB       TRP  36   6.719   3.517  -5.568
  275   2HB   TRP  36          1HB       TRP  36   5.740   3.833  -4.140
  276    HD1  TRP  36           HD1      TRP  36   8.348   3.334  -2.128
  277    HE1  TRP  36           HE1      TRP  36   9.994   5.294  -1.886
  278    HE3  TRP  36           HE3      TRP  36   7.172   5.895  -6.384
  279    HZ2  TRP  36           HZ2      TRP  36  10.705   7.622  -3.317
  280    HZ3  TRP  36           HZ3      TRP  36   8.379   7.975  -6.882
  281    HH2  TRP  36           HH2      TRP  36  10.111   8.823  -5.382
  282    H    TYR  37           H        TYR  37   4.588   1.107  -3.128
  283    HA   TYR  37           HA       TYR  37   4.147  -0.578  -5.477
  284   1HB   TYR  37          2HB       TYR  37   2.650  -0.539  -2.864
  285   2HB   TYR  37          1HB       TYR  37   2.507  -1.737  -4.141
  286    HD1  TYR  37           HD1      TYR  37   4.529  -0.544  -1.352
  287    HD2  TYR  37           HD2      TYR  37   4.260  -3.425  -4.465
  288    HE1  TYR  37           HE1      TYR  37   6.248  -1.907  -0.265
  289    HE2  TYR  37           HE2      TYR  37   6.002  -4.776  -3.372
  290    HH   TYR  37           HH       TYR  37   7.391  -4.950  -1.620
  291    H    ARG  38           H        ARG  38   2.305  -0.555  -6.730
  292    HA   ARG  38           HA       ARG  38   0.763   1.930  -6.595
  293   1HB   ARG  38          2HB       ARG  38   0.687  -0.255  -8.716
  294   2HB   ARG  38          1HB       ARG  38  -0.062   1.331  -8.837
  295   1HG   ARG  38          2HG       ARG  38   1.859   2.339  -9.426
  296   2HG   ARG  38          1HG       ARG  38   2.838   1.336  -8.356
  297   1HD   ARG  38          2HD       ARG  38   1.598   0.084 -10.761
  298   2HD   ARG  38          1HD       ARG  38   3.016   1.114 -10.975
  299    HE   ARG  38           HE       ARG  38   3.611  -0.662  -8.936
  300   1HH1  ARG  38          1HH1      ARG  38   2.858  -0.809 -12.345
  301   2HH1  ARG  38          2HH1      ARG  38   3.757  -2.266 -12.604
  302   1HH2  ARG  38          1HH2      ARG  38   4.791  -2.576  -9.283
  303   2HH2  ARG  38          2HH2      ARG  38   4.852  -3.267 -10.870
  304    H    ALA  39           H        ALA  39  -0.740   1.699  -5.052
  305    HA   ALA  39           HA       ALA  39  -2.219  -0.829  -4.956
  306   1HB   ALA  39          1HB       ALA  39  -2.882   0.134  -2.622
  307   2HB   ALA  39          2HB       ALA  39  -1.494   1.192  -2.872
  308   3HB   ALA  39          3HB       ALA  39  -1.277  -0.557  -2.851
  309    H    GLU  40           H        GLU  40  -4.450  -0.610  -4.037
  310    HA   GLU  40           HA       GLU  40  -5.844   1.751  -5.036
  311   1HB   GLU  40          2HB       GLU  40  -6.069  -1.012  -6.108
  312   2HB   GLU  40          1HB       GLU  40  -7.570  -0.118  -5.919
  313   1HG   GLU  40          2HG       GLU  40  -5.759   1.637  -7.141
  314   2HG   GLU  40          1HG       GLU  40  -5.572   0.087  -7.954
  315    H    LEU  41           H        LEU  41  -8.015   1.984  -4.222
  316    HA   LEU  41           HA       LEU  41  -8.955   0.206  -2.177
  317   1HB   LEU  41          2HB       LEU  41  -8.863   1.925  -0.364
  318   2HB   LEU  41          1HB       LEU  41  -7.310   1.255  -0.828
  319    HG   LEU  41           HG       LEU  41  -7.756   3.590  -2.398
  320   1HD1  LEU  41          1HD1      LEU  41  -8.847   3.771   0.281
  321   2HD1  LEU  41          2HD1      LEU  41  -8.955   4.904  -1.064
  322   3HD1  LEU  41          3HD1      LEU  41  -7.553   4.936   0.005
  323   1HD2  LEU  41          1HD2      LEU  41  -5.796   2.521  -0.470
  324   2HD2  LEU  41          2HD2      LEU  41  -5.792   4.271  -0.685
  325   3HD2  LEU  41          3HD2      LEU  41  -5.554   3.210  -2.074
  326    H    ASP  42           H        ASP  42 -11.006   0.181  -2.402
  327    HA   ASP  42           HA       ASP  42 -13.187   0.794  -2.636
  328   1HB   ASP  42          2HB       ASP  42 -11.939   3.386  -1.925
  329   2HB   ASP  42          1HB       ASP  42 -13.459   3.493  -2.806
  330    H    GLY  43           H        GLY  43 -11.390   3.351  -4.331
  331   1HA   GLY  43          2HA       GLY  43 -11.859   2.169  -6.903
  332   2HA   GLY  43          1HA       GLY  43 -12.886   3.562  -6.607
  333    H    LYS  44           H        LYS  44 -10.055   4.099  -4.920
  334    HA   LYS  44           HA       LYS  44  -9.007   5.686  -7.150
  335   1HB   LYS  44          2HB       LYS  44  -8.650   6.086  -4.165
  336   2HB   LYS  44          1HB       LYS  44  -8.029   7.150  -5.423
  337   1HG   LYS  44          2HG       LYS  44 -10.952   6.566  -5.050
  338   2HG   LYS  44          1HG       LYS  44 -10.125   7.924  -4.286
  339   1HD   LYS  44          2HD       LYS  44 -10.261   9.128  -6.153
  340   2HD   LYS  44          1HD       LYS  44  -9.507   7.842  -7.095
  341   1HE   LYS  44          2HE       LYS  44 -12.027   6.860  -6.709
  342   2HE   LYS  44          1HE       LYS  44 -12.328   8.591  -6.841
  343   1HZ   LYS  44          1HZ       LYS  44 -12.339   8.118  -9.023
  344   2HZ   LYS  44          2HZ       LYS  44 -11.418   6.711  -8.850
  345   3HZ   LYS  44          3HZ       LYS  44 -10.656   8.220  -8.875
  346    H    GLU  45           H        GLU  45  -6.970   5.357  -7.830
  347    HA   GLU  45           HA       GLU  45  -5.409   3.247  -6.519
  348   1HB   GLU  45          2HB       GLU  45  -4.036   3.386  -8.660
  349   2HB   GLU  45          1HB       GLU  45  -5.680   2.786  -8.829
  350   1HG   GLU  45          2HG       GLU  45  -5.543   5.658  -9.137
  351   2HG   GLU  45          1HG       GLU  45  -4.494   4.817 -10.278
  352    H    GLY  46           H        GLY  46  -3.223   3.574  -5.877
  353   1HA   GLY  46          2HA       GLY  46  -1.886   6.027  -6.389
  354   2HA   GLY  46          1HA       GLY  46  -2.638   6.060  -4.818
  355    H    LEU  47           H        LEU  47   0.215   5.914  -5.975
  356    HA   LEU  47           HA       LEU  47   1.416   3.550  -5.154
  357   1HB   LEU  47          2HB       LEU  47   3.502   4.980  -5.054
  358   2HB   LEU  47          1HB       LEU  47   2.634   4.920  -6.579
  359    HG   LEU  47           HG       LEU  47   1.493   7.099  -5.373
  360   1HD1  LEU  47          1HD1      LEU  47   4.265   7.836  -4.929
  361   2HD1  LEU  47          2HD1      LEU  47   3.689   6.609  -3.802
  362   3HD1  LEU  47          3HD1      LEU  47   2.834   8.139  -3.951
  363   1HD2  LEU  47          1HD2      LEU  47   2.509   8.337  -7.061
  364   2HD2  LEU  47          2HD2      LEU  47   2.486   6.701  -7.710
  365   3HD2  LEU  47          3HD2      LEU  47   3.974   7.357  -7.030
  366    H    ILE  48           H        ILE  48   2.607   2.969  -3.310
  367    HA   ILE  48           HA       ILE  48   2.694   4.707  -0.999
  368    HB   ILE  48           HB       ILE  48   1.182   2.101  -0.795
  369   1HG1  ILE  48          2HG1      ILE  48  -0.029   4.780  -0.231
  370   2HG1  ILE  48          1HG1      ILE  48   0.105   4.249  -1.899
  371   1HG2  ILE  48          1HG2      ILE  48   2.625   3.044   1.151
  372   2HG2  ILE  48          2HG2      ILE  48   0.993   2.451   1.457
  373   3HG2  ILE  48          3HG2      ILE  48   1.292   4.186   1.326
  374   1HD1  ILE  48          1HD1      ILE  48  -0.972   2.071  -0.609
  375   2HD1  ILE  48          2HD1      ILE  48  -1.828   3.242  -1.610
  376   3HD1  ILE  48          3HD1      ILE  48  -1.764   3.460   0.139
  377    HA   PRO  49           HA       PRO  49   6.865   2.889  -1.063
  378   1HB   PRO  49          2HB       PRO  49   6.430   3.616   1.788
  379   2HB   PRO  49          1HB       PRO  49   7.822   3.913   0.745
  380   1HG   PRO  49          2HG       PRO  49   5.827   5.747   1.303
  381   2HG   PRO  49          1HG       PRO  49   6.940   5.832  -0.069
  382   1HD   PRO  49          2HD       PRO  49   4.119   5.430  -0.120
  383   2HD   PRO  49          1HD       PRO  49   5.235   5.428  -1.498
  384    H    SER  50           H        SER  50   8.043   1.285  -0.138
  385    HA   SER  50           HA       SER  50   6.687  -1.144   0.471
  386   1HB   SER  50          2HB       SER  50   8.886  -0.778  -0.797
  387   2HB   SER  50          1HB       SER  50   9.628  -0.708   0.799
  388    HG   SER  50           HG       SER  50   9.717  -2.811   0.371
  389    H    ASN  51           H        ASN  51   8.699   0.929   2.487
  390    HA   ASN  51           HA       ASN  51   8.857  -0.809   4.659
  391   1HB   ASN  51          2HB       ASN  51   9.500   1.303   5.916
  392   2HB   ASN  51          1HB       ASN  51  10.457   0.873   4.505
  393   1HD2  ASN  51          1HD2      ASN  51   7.260   2.324   4.318
  394   2HD2  ASN  51          2HD2      ASN  51   7.768   3.831   3.675
  395    H    TYR  52           H        TYR  52   6.156   1.181   3.811
  396    HA   TYR  52           HA       TYR  52   5.191   1.317   6.559
  397   1HB   TYR  52          2HB       TYR  52   4.641   3.317   5.654
  398   2HB   TYR  52          1HB       TYR  52   4.598   2.683   4.016
  399    HD1  TYR  52           HD1      TYR  52   2.602   2.394   7.172
  400    HD2  TYR  52           HD2      TYR  52   2.587   2.717   2.960
  401    HE1  TYR  52           HE1      TYR  52   0.151   2.545   7.195
  402    HE2  TYR  52           HE2      TYR  52   0.128   2.856   2.975
  403    HH   TYR  52           HH       TYR  52  -1.689   3.238   4.347
  404    H    ILE  53           H        ILE  53   5.066  -0.855   4.041
  405    HA   ILE  53           HA       ILE  53   2.702  -2.132   5.192
  406    HB   ILE  53           HB       ILE  53   1.558  -2.158   3.268
  407   1HG1  ILE  53          2HG1      ILE  53   3.011  -2.676   1.041
  408   2HG1  ILE  53          1HG1      ILE  53   4.018  -3.448   2.257
  409   1HG2  ILE  53          1HG2      ILE  53   3.805  -0.382   2.362
  410   2HG2  ILE  53          2HG2      ILE  53   2.204   0.086   2.921
  411   3HG2  ILE  53          3HG2      ILE  53   2.392  -0.706   1.362
  412   1HD1  ILE  53          1HD1      ILE  53   2.153  -4.765   1.047
  413   2HD1  ILE  53          2HD1      ILE  53   1.094  -3.962   2.206
  414   3HD1  ILE  53          3HD1      ILE  53   2.401  -4.997   2.776
  415    H    GLU  54           H        GLU  54   2.594  -4.416   4.860
  416    HA   GLU  54           HA       GLU  54   5.035  -5.865   4.122
  417   1HB   GLU  54          2HB       GLU  54   4.774  -5.365   6.720
  418   2HB   GLU  54          1HB       GLU  54   3.631  -6.699   6.632
  419   1HG   GLU  54          2HG       GLU  54   5.346  -8.161   5.776
  420   2HG   GLU  54          1HG       GLU  54   6.490  -6.824   5.715
  421    H    MET  55           H        MET  55   4.563  -7.999   3.359
  422    HA   MET  55           HA       MET  55   1.897  -8.395   2.508
  423   1HB   MET  55          2HB       MET  55   4.452  -9.857   2.258
  424   2HB   MET  55          1HB       MET  55   3.009 -10.852   2.138
  425   1HG   MET  55          2HG       MET  55   3.460 -10.289  -0.052
  426   2HG   MET  55          1HG       MET  55   2.212  -9.133   0.413
  427   1HE   MET  55          1HE       MET  55   5.327  -9.999  -0.867
  428   2HE   MET  55          2HE       MET  55   6.525  -8.768  -0.477
  429   3HE   MET  55          3HE       MET  55   5.495  -8.577  -1.894
  430    H    LYS  56           H        LYS  56   0.224  -9.217   3.671
  431    HA   LYS  56           HA       LYS  56   0.727 -10.650   6.185
  432   1HB   LYS  56          2HB       LYS  56  -1.689 -10.450   6.525
  433   2HB   LYS  56          1HB       LYS  56  -0.962  -8.880   6.222
  434   1HG   LYS  56          2HG       LYS  56  -2.406  -8.529   4.587
  435   2HG   LYS  56          1HG       LYS  56  -1.781  -9.937   3.726
  436   1HD   LYS  56          2HD       LYS  56  -4.032 -10.446   3.958
  437   2HD   LYS  56          1HD       LYS  56  -3.310 -11.287   5.329
  438   1HE   LYS  56          2HE       LYS  56  -4.459 -10.068   6.793
  439   2HE   LYS  56          1HE       LYS  56  -4.012  -8.560   5.997
  440   1HZ   LYS  56          1HZ       LYS  56  -6.498  -9.467   6.091
  441   2HZ   LYS  56          2HZ       LYS  56  -6.007 -10.193   4.644
  442   3HZ   LYS  56          3HZ       LYS  56  -5.922  -8.512   4.818
  443    H    ASN  57           H        ASN  57   1.583 -12.173   4.046
  444    HA   ASN  57           HA       ASN  57  -0.419 -14.337   4.100
  445   1HB   ASN  57          2HB       ASN  57   0.585 -12.819   1.829
  446   2HB   ASN  57          1HB       ASN  57   0.788 -14.554   1.616
  447   1HD2  ASN  57          1HD2      ASN  57  -0.763 -14.146  -0.132
  448   2HD2  ASN  57          2HD2      ASN  57  -2.448 -14.180   0.245
  449    H    HIS  58           H        HIS  58   1.503 -14.713   5.876
  450    HA   HIS  58           HA       HIS  58   3.069 -16.874   4.772
  451   1HB   HIS  58          2HB       HIS  58   4.355 -14.329   5.702
  452   2HB   HIS  58          1HB       HIS  58   5.217 -15.860   5.782
  453    HD1  HIS  58           HD1      HIS  58   3.851 -13.363   3.339
  454    HD2  HIS  58           HD2      HIS  58   6.157 -16.822   3.347
  455    HE1  HIS  58           HE1      HIS  58   4.850 -13.507   1.036
  456    HE2  HIS  58           HE2      HIS  58   6.255 -15.601   1.066
  457    H    ASP  59           H        ASP  59   1.184 -15.898   7.157
  458    HA   ASP  59           HA       ASP  59   2.724 -17.254   9.259
  459   1HB   ASP  59          2HB       ASP  59   1.643 -14.833   9.494
  460   2HB   ASP  59          1HB       ASP  59   0.217 -15.784   9.906
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1  -5.878  -9.417  -4.263
    2   2H    MET   1          2H        MET   1  -5.897 -11.109  -4.527
    3   3H    MET   1          3H        MET   1  -4.746 -10.129  -5.331
    4    HA   MET   1           HA       MET   1  -4.827 -11.086  -2.593
    5   1HB   MET   1          2HB       MET   1  -2.398 -11.235  -3.001
    6   2HB   MET   1          1HB       MET   1  -3.325 -12.103  -4.215
    7   1HG   MET   1          2HG       MET   1  -3.087  -9.775  -5.469
    8   2HG   MET   1          1HG       MET   1  -1.642  -9.684  -4.470
    9   1HE   MET   1          1HE       MET   1   0.492 -10.138  -5.953
   10   2HE   MET   1          2HE       MET   1   0.842 -11.864  -6.039
   11   3HE   MET   1          3HE       MET   1   0.288 -11.151  -4.525
   12    H    GLU   2           H        GLU   2  -4.682  -9.721  -0.878
   13    HA   GLU   2           HA       GLU   2  -3.953  -6.955  -1.471
   14   1HB   GLU   2          2HB       GLU   2  -4.930  -6.485   0.795
   15   2HB   GLU   2          1HB       GLU   2  -6.050  -7.117  -0.403
   16   1HG   GLU   2          2HG       GLU   2  -4.968  -9.331   0.975
   17   2HG   GLU   2          1HG       GLU   2  -5.417  -8.128   2.182
   18    H    ALA   3           H        ALA   3  -3.158  -5.774   0.485
   19    HA   ALA   3           HA       ALA   3  -0.883  -7.067   1.841
   20   1HB   ALA   3          1HB       ALA   3  -0.051  -4.515   1.084
   21   2HB   ALA   3          2HB       ALA   3  -0.751  -5.239  -0.359
   22   3HB   ALA   3          3HB       ALA   3   0.554  -6.060   0.492
   23    H    ILE   4           H        ILE   4  -0.244  -5.903   3.780
   24    HA   ILE   4           HA       ILE   4  -2.319  -4.030   4.718
   25    HB   ILE   4           HB       ILE   4  -0.653  -6.097   6.065
   26   1HG1  ILE   4          2HG1      ILE   4  -3.485  -5.112   6.465
   27   2HG1  ILE   4          1HG1      ILE   4  -3.009  -6.480   5.467
   28   1HG2  ILE   4          1HG2      ILE   4  -1.882  -4.257   7.981
   29   2HG2  ILE   4          2HG2      ILE   4  -0.498  -3.580   7.134
   30   3HG2  ILE   4          3HG2      ILE   4  -0.325  -5.077   8.033
   31   1HD1  ILE   4          1HD1      ILE   4  -2.066  -6.638   8.223
   32   2HD1  ILE   4          2HD1      ILE   4  -2.872  -7.848   7.223
   33   3HD1  ILE   4          3HD1      ILE   4  -3.821  -6.615   8.056
   34    H    ALA   5           H        ALA   5  -1.673  -2.098   5.831
   35    HA   ALA   5           HA       ALA   5   1.152  -1.461   5.718
   36   1HB   ALA   5          1HB       ALA   5  -0.306  -0.704   3.594
   37   2HB   ALA   5          2HB       ALA   5   1.093   0.198   4.180
   38   3HB   ALA   5          3HB       ALA   5  -0.532   0.707   4.631
   39    H    LYS   6           H        LYS   6   1.486  -0.886   7.897
   40    HA   LYS   6           HA       LYS   6  -0.593   0.882   8.976
   41   1HB   LYS   6          2HB       LYS   6   1.406   0.094  10.910
   42   2HB   LYS   6          1HB       LYS   6  -0.334  -0.127  10.958
   43   1HG   LYS   6          2HG       LYS   6   0.466  -2.022   9.131
   44   2HG   LYS   6          1HG       LYS   6   1.787  -2.020  10.300
   45   1HD   LYS   6          2HD       LYS   6   0.168  -2.366  12.105
   46   2HD   LYS   6          1HD       LYS   6  -1.141  -2.383  10.922
   47   1HE   LYS   6          2HE       LYS   6   0.314  -4.275   9.819
   48   2HE   LYS   6          1HE       LYS   6   0.984  -4.412  11.447
   49   1HZ   LYS   6          1HZ       LYS   6  -0.750  -5.698  11.899
   50   2HZ   LYS   6          2HZ       LYS   6  -1.532  -5.307  10.449
   51   3HZ   LYS   6          3HZ       LYS   6  -1.730  -4.322  11.806
   52    H    HIS   7           H        HIS   7  -0.108   2.924   8.276
   53    HA   HIS   7           HA       HIS   7   1.733   4.265   9.802
   54   1HB   HIS   7          2HB       HIS   7   2.546   3.605   7.039
   55   2HB   HIS   7          1HB       HIS   7   2.682   5.318   7.434
   56    HD1  HIS   7           HD1      HIS   7   4.562   2.302   7.566
   57    HD2  HIS   7           HD2      HIS   7   4.182   5.592  10.067
   58    HE1  HIS   7           HE1      HIS   7   6.613   2.282   9.011
   59    HE2  HIS   7           HE2      HIS   7   6.337   4.248  10.561
   60    H    ASP   8           H        ASP   8   0.365   6.116  10.276
   61    HA   ASP   8           HA       ASP   8  -1.619   6.790   8.213
   62   1HB   ASP   8          2HB       ASP   8  -2.162   6.435  10.759
   63   2HB   ASP   8          1HB       ASP   8  -1.554   8.078  10.925
   64    H    PHE   9           H        PHE   9  -0.744   8.027   6.761
   65    HA   PHE   9           HA       PHE   9   0.553  10.531   7.651
   66   1HB   PHE   9          2HB       PHE   9   2.079   8.821   6.493
   67   2HB   PHE   9          1HB       PHE   9   1.196   9.218   5.019
   68    HD1  PHE   9           HD1      PHE   9   3.693  10.297   7.403
   69    HD2  PHE   9           HD2      PHE   9   1.261  11.530   4.132
   70    HE1  PHE   9           HE1      PHE   9   5.123  12.271   7.083
   71    HE2  PHE   9           HE2      PHE   9   2.693  13.505   3.811
   72    HZ   PHE   9           HZ       PHE   9   4.627  13.879   5.282
   73    H    SER  10           H        SER  10  -0.404  12.341   6.955
   74    HA   SER  10           HA       SER  10  -2.677  12.087   5.151
   75   1HB   SER  10          2HB       SER  10  -1.838  14.795   6.062
   76   2HB   SER  10          1HB       SER  10  -3.452  14.104   5.931
   77    HG   SER  10           HG       SER  10  -1.678  13.140   7.893
   78    H    ALA  11           H        ALA  11  -2.123  11.929   3.116
   79    HA   ALA  11           HA       ALA  11  -0.109  12.287   1.558
   80   1HB   ALA  11          1HB       ALA  11  -2.932  13.069   1.024
   81   2HB   ALA  11          2HB       ALA  11  -1.999  11.702   0.413
   82   3HB   ALA  11          3HB       ALA  11  -1.701  13.323  -0.214
   83    H    THR  12           H        THR  12   0.967  13.670   0.322
   84    HA   THR  12           HA       THR  12   1.027  16.470   1.217
   85    HB   THR  12           HB       THR  12   3.279  16.493   0.043
   86    HG1  THR  12           HG1      THR  12   2.645  13.767  -0.237
   87   1HG2  THR  12          1HG2      THR  12   4.439  15.807   1.857
   88   2HG2  THR  12          2HG2      THR  12   3.479  14.344   2.063
   89   3HG2  THR  12          3HG2      THR  12   2.827  15.907   2.567
   90    H    ALA  13           H        ALA  13   1.783  14.822  -1.894
   91    HA   ALA  13           HA       ALA  13   0.204  16.942  -3.216
   92   1HB   ALA  13          1HB       ALA  13   2.324  15.426  -4.645
   93   2HB   ALA  13          2HB       ALA  13   2.755  16.759  -3.575
   94   3HB   ALA  13          3HB       ALA  13   1.689  17.041  -4.950
   95    H    ASP  14           H        ASP  14  -0.187  16.202  -5.579
   96    HA   ASP  14           HA       ASP  14  -2.101  14.041  -5.576
   97   1HB   ASP  14          2HB       ASP  14  -1.561  16.309  -7.190
   98   2HB   ASP  14          1HB       ASP  14  -1.474  14.894  -8.232
   99    H    ASP  15           H        ASP  15   0.355  12.985  -4.873
  100    HA   ASP  15           HA       ASP  15   0.757  11.052  -7.002
  101   1HB   ASP  15          2HB       ASP  15   2.637  13.216  -6.519
  102   2HB   ASP  15          1HB       ASP  15   3.393  11.641  -6.287
  103    H    GLU  16           H        GLU  16   1.707  12.163  -3.737
  104    HA   GLU  16           HA       GLU  16   2.417   9.434  -3.027
  105   1HB   GLU  16          2HB       GLU  16   3.623  11.598  -2.254
  106   2HB   GLU  16          1HB       GLU  16   2.287  11.750  -1.123
  107   1HG   GLU  16          2HG       GLU  16   2.972  10.001   0.144
  108   2HG   GLU  16          1HG       GLU  16   3.677   9.142  -1.225
  109    H    LEU  17           H        LEU  17   0.942   8.046  -2.421
  110    HA   LEU  17           HA       LEU  17  -1.733   8.861  -1.802
  111   1HB   LEU  17          2HB       LEU  17  -0.457   6.487  -2.637
  112   2HB   LEU  17          1HB       LEU  17  -1.181   6.125  -1.087
  113    HG   LEU  17           HG       LEU  17  -2.615   7.131  -3.537
  114   1HD1  LEU  17          1HD1      LEU  17  -1.800   4.651  -3.188
  115   2HD1  LEU  17          2HD1      LEU  17  -3.402   5.004  -3.832
  116   3HD1  LEU  17          3HD1      LEU  17  -3.211   4.573  -2.132
  117   1HD2  LEU  17          1HD2      LEU  17  -4.476   7.488  -2.317
  118   2HD2  LEU  17          2HD2      LEU  17  -3.320   7.757  -1.015
  119   3HD2  LEU  17          3HD2      LEU  17  -4.111   6.194  -1.178
  120    H    SER  18           H        SER  18  -2.587   9.211   0.125
  121    HA   SER  18           HA       SER  18  -1.007   8.663   2.520
  122   1HB   SER  18          2HB       SER  18  -2.522  10.132   3.650
  123   2HB   SER  18          1HB       SER  18  -2.092  10.887   2.124
  124    HG   SER  18           HG       SER  18  -4.478  10.504   2.981
  125    H    PHE  19           H        PHE  19  -2.284   7.956   4.458
  126    HA   PHE  19           HA       PHE  19  -4.619   6.481   4.138
  127   1HB   PHE  19          2HB       PHE  19  -2.415   5.109   3.073
  128   2HB   PHE  19          1HB       PHE  19  -2.699   4.349   4.631
  129    HD1  PHE  19           HD1      PHE  19  -4.739   3.134   5.076
  130    HD2  PHE  19           HD2      PHE  19  -4.033   4.972   1.294
  131    HE1  PHE  19           HE1      PHE  19  -6.574   1.866   4.096
  132    HE2  PHE  19           HE2      PHE  19  -5.880   3.674   0.341
  133    HZ   PHE  19           HZ       PHE  19  -7.133   2.138   1.751
  134    H    ARG  20           H        ARG  20  -4.518   4.526   5.858
  135    HA   ARG  20           HA       ARG  20  -3.731   5.739   8.414
  136   1HB   ARG  20          2HB       ARG  20  -6.244   5.340   7.749
  137   2HB   ARG  20          1HB       ARG  20  -5.876   3.674   8.174
  138   1HG   ARG  20          2HG       ARG  20  -5.166   4.412  10.404
  139   2HG   ARG  20          1HG       ARG  20  -5.591   6.065   9.967
  140   1HD   ARG  20          2HD       ARG  20  -7.872   4.735   9.333
  141   2HD   ARG  20          1HD       ARG  20  -7.302   3.815  10.729
  142    HE   ARG  20           HE       ARG  20  -7.133   6.153  11.795
  143   1HH1  ARG  20          1HH1      ARG  20  -9.597   5.169   9.521
  144   2HH1  ARG  20          2HH1      ARG  20 -10.769   6.287  10.126
  145   1HH2  ARG  20          1HH2      ARG  20  -8.688   7.615  12.592
  146   2HH2  ARG  20          2HH2      ARG  20 -10.257   7.678  11.862
  147    H    LYS  21           H        LYS  21  -2.751   4.408   9.940
  148    HA   LYS  21           HA       LYS  21  -1.246   2.242   8.951
  149   1HB   LYS  21          2HB       LYS  21  -1.108   1.764  11.582
  150   2HB   LYS  21          1HB       LYS  21  -0.199   3.063  10.821
  151   1HG   LYS  21          2HG       LYS  21  -1.737   4.693  11.540
  152   2HG   LYS  21          1HG       LYS  21  -2.920   3.475  12.002
  153   1HD   LYS  21          2HD       LYS  21  -0.804   2.742  13.521
  154   2HD   LYS  21          1HD       LYS  21  -0.590   4.494  13.462
  155   1HE   LYS  21          2HE       LYS  21  -2.506   4.907  14.627
  156   2HE   LYS  21          1HE       LYS  21  -3.325   3.481  13.994
  157   1HZ   LYS  21          1HZ       LYS  21  -2.015   3.795  16.456
  158   2HZ   LYS  21          2HZ       LYS  21  -1.202   2.606  15.570
  159   3HZ   LYS  21          3HZ       LYS  21  -2.858   2.447  15.872
  160    H    THR  22           H        THR  22  -1.532   0.044   9.080
  161    HA   THR  22           HA       THR  22  -2.440  -1.961   9.513
  162    HB   THR  22           HB       THR  22  -4.671  -0.726  11.063
  163    HG1  THR  22           HG1      THR  22  -3.360  -0.157  12.609
  164   1HG2  THR  22          1HG2      THR  22  -3.857  -2.770  12.526
  165   2HG2  THR  22          2HG2      THR  22  -3.304  -3.345  10.950
  166   3HG2  THR  22          3HG2      THR  22  -5.005  -2.953  11.201
  167    H    GLN  23           H        GLN  23  -3.861   0.358   7.622
  168    HA   GLN  23           HA       GLN  23  -6.270  -1.192   7.249
  169   1HB   GLN  23          2HB       GLN  23  -5.556   1.460   6.568
  170   2HB   GLN  23          1HB       GLN  23  -6.002   0.625   5.086
  171   1HG   GLN  23          2HG       GLN  23  -7.894  -0.021   7.126
  172   2HG   GLN  23          1HG       GLN  23  -7.686   1.731   7.056
  173   1HE2  GLN  23          1HE2      GLN  23  -8.262   2.837   5.183
  174   2HE2  GLN  23          2HE2      GLN  23  -9.258   2.127   3.961
  175    H    ILE  24           H        ILE  24  -6.870  -2.374   5.494
  176    HA   ILE  24           HA       ILE  24  -4.675  -3.747   4.201
  177    HB   ILE  24           HB       ILE  24  -6.866  -4.872   3.046
  178   1HG1  ILE  24          2HG1      ILE  24  -7.868  -4.448   5.833
  179   2HG1  ILE  24          1HG1      ILE  24  -8.179  -3.200   4.629
  180   1HG2  ILE  24          1HG2      ILE  24  -6.588  -6.113   5.583
  181   2HG2  ILE  24          2HG2      ILE  24  -5.003  -5.527   5.074
  182   3HG2  ILE  24          3HG2      ILE  24  -5.922  -6.608   4.026
  183   1HD1  ILE  24          1HD1      ILE  24  -8.820  -5.939   3.786
  184   2HD1  ILE  24          2HD1      ILE  24  -9.709  -4.434   3.561
  185   3HD1  ILE  24          3HD1      ILE  24  -9.803  -5.288   5.097
  186    H    LEU  25           H        LEU  25  -3.822  -3.110   2.357
  187    HA   LEU  25           HA       LEU  25  -5.476  -1.533   0.518
  188   1HB   LEU  25          2HB       LEU  25  -2.571  -1.675   0.036
  189   2HB   LEU  25          1HB       LEU  25  -3.680  -0.327  -0.117
  190    HG   LEU  25           HG       LEU  25  -2.349  -1.337   2.386
  191   1HD1  LEU  25          1HD1      LEU  25  -0.850   0.184   1.774
  192   2HD1  LEU  25          2HD1      LEU  25  -2.066   1.399   2.172
  193   3HD1  LEU  25          3HD1      LEU  25  -1.899   0.830   0.512
  194   1HD2  LEU  25          1HD2      LEU  25  -4.070  -0.623   3.582
  195   2HD2  LEU  25          2HD2      LEU  25  -4.925  -0.108   2.133
  196   3HD2  LEU  25          3HD2      LEU  25  -3.812   0.997   2.945
  197    H    LYS  26           H        LYS  26  -5.597  -2.032  -1.649
  198    HA   LYS  26           HA       LYS  26  -5.203  -4.810  -2.399
  199   1HB   LYS  26          2HB       LYS  26  -6.656  -2.439  -3.394
  200   2HB   LYS  26          1HB       LYS  26  -6.041  -3.510  -4.646
  201   1HG   LYS  26          2HG       LYS  26  -8.051  -4.494  -4.326
  202   2HG   LYS  26          1HG       LYS  26  -7.146  -5.342  -3.073
  203   1HD   LYS  26          2HD       LYS  26  -7.985  -3.879  -1.375
  204   2HD   LYS  26          1HD       LYS  26  -8.721  -2.818  -2.579
  205   1HE   LYS  26          2HE       LYS  26 -10.396  -4.352  -3.081
  206   2HE   LYS  26          1HE       LYS  26  -9.494  -5.702  -2.394
  207   1HZ   LYS  26          1HZ       LYS  26 -10.250  -3.540  -0.586
  208   2HZ   LYS  26          2HZ       LYS  26 -10.152  -5.203  -0.301
  209   3HZ   LYS  26          3HZ       LYS  26 -11.486  -4.564  -1.124
  210    H    ILE  27           H        ILE  27  -3.539  -5.548  -3.691
  211    HA   ILE  27           HA       ILE  27  -1.690  -3.527  -4.774
  212    HB   ILE  27           HB       ILE  27  -0.748  -4.917  -2.967
  213   1HG1  ILE  27          2HG1      ILE  27   0.690  -5.772  -5.433
  214   2HG1  ILE  27          1HG1      ILE  27   0.469  -4.045  -5.163
  215   1HG2  ILE  27          1HG2      ILE  27  -1.620  -7.022  -3.014
  216   2HG2  ILE  27          2HG2      ILE  27  -0.101  -7.316  -3.860
  217   3HG2  ILE  27          3HG2      ILE  27  -1.595  -7.120  -4.775
  218   1HD1  ILE  27          1HD1      ILE  27   1.435  -5.390  -2.788
  219   2HD1  ILE  27          2HD1      ILE  27   2.090  -3.999  -3.650
  220   3HD1  ILE  27          3HD1      ILE  27   2.501  -5.629  -4.171
  221    H    LEU  28           H        LEU  28  -1.132  -3.626  -6.942
  222    HA   LEU  28           HA       LEU  28  -2.716  -5.503  -8.497
  223   1HB   LEU  28          2HB       LEU  28  -1.546  -4.151 -10.449
  224   2HB   LEU  28          1HB       LEU  28  -2.956  -3.564  -9.600
  225    HG   LEU  28           HG       LEU  28  -1.045  -1.941 -10.089
  226   1HD1  LEU  28          1HD1      LEU  28  -1.501  -0.684  -8.089
  227   2HD1  LEU  28          2HD1      LEU  28  -2.072  -2.132  -7.257
  228   3HD1  LEU  28          3HD1      LEU  28  -2.974  -1.489  -8.632
  229   1HD2  LEU  28          1HD2      LEU  28   0.911  -2.948  -9.448
  230   2HD2  LEU  28          2HD2      LEU  28   0.207  -3.677  -8.012
  231   3HD2  LEU  28          3HD2      LEU  28   0.563  -1.960  -8.033
  232    H    ASN  29           H        ASN  29   0.566  -5.326  -7.454
  233    HA   ASN  29           HA       ASN  29   1.204  -7.797  -8.815
  234   1HB   ASN  29          2HB       ASN  29   1.621  -5.708 -10.395
  235   2HB   ASN  29          1HB       ASN  29   3.068  -5.530  -9.404
  236   1HD2  ASN  29          1HD2      ASN  29   1.427  -7.427 -11.774
  237   2HD2  ASN  29          2HD2      ASN  29   2.752  -8.470 -12.160
  238    H    MET  30           H        MET  30   3.566  -8.366  -8.447
  239    HA   MET  30           HA       MET  30   4.094  -8.087  -5.582
  240   1HB   MET  30          2HB       MET  30   4.113 -10.332  -6.277
  241   2HB   MET  30          1HB       MET  30   4.756  -9.933  -7.857
  242   1HG   MET  30          2HG       MET  30   6.852  -9.290  -6.270
  243   2HG   MET  30          1HG       MET  30   6.143 -10.623  -5.374
  244   1HE   MET  30          1HE       MET  30   6.446 -12.994  -5.871
  245   2HE   MET  30          2HE       MET  30   6.772 -13.699  -7.452
  246   3HE   MET  30          3HE       MET  30   5.232 -12.898  -7.147
  247    H    GLU  31           H        GLU  31   5.275  -6.153  -5.320
  248    HA   GLU  31           HA       GLU  31   6.849  -4.527  -5.649
  249   1HB   GLU  31          2HB       GLU  31   9.110  -5.439  -5.569
  250   2HB   GLU  31          1HB       GLU  31   8.013  -6.197  -4.432
  251   1HG   GLU  31          2HG       GLU  31   8.090  -7.667  -6.900
  252   2HG   GLU  31          1HG       GLU  31   9.712  -7.434  -6.265
  253    H    ASP  32           H        ASP  32   5.821  -4.051  -8.029
  254    HA   ASP  32           HA       ASP  32   7.185  -5.026 -10.292
  255   1HB   ASP  32          2HB       ASP  32   5.208  -3.020  -9.726
  256   2HB   ASP  32          1HB       ASP  32   6.401  -2.383 -10.859
  257    H    ASP  33           H        ASP  33   7.651  -2.009  -8.428
  258    HA   ASP  33           HA       ASP  33  10.165  -1.494  -9.843
  259   1HB   ASP  33          2HB       ASP  33   8.328   0.119  -8.178
  260   2HB   ASP  33          1HB       ASP  33  10.020   0.335  -7.737
  261    H    SER  34           H        SER  34   8.813  -1.896  -6.658
  262    HA   SER  34           HA       SER  34   9.476  -3.685  -5.220
  263   1HB   SER  34          2HB       SER  34  11.884  -3.579  -6.590
  264   2HB   SER  34          1HB       SER  34  12.310  -2.911  -5.024
  265    HG   SER  34           HG       SER  34  10.795  -5.269  -5.153
  266    H    ASN  35           H        ASN  35  11.183  -0.524  -5.331
  267    HA   ASN  35           HA       ASN  35  10.943  -0.218  -2.471
  268   1HB   ASN  35          2HB       ASN  35  11.521   2.167  -4.138
  269   2HB   ASN  35          1HB       ASN  35  12.327   1.594  -2.683
  270   1HD2  ASN  35          1HD2      ASN  35  13.395  -0.694  -3.168
  271   2HD2  ASN  35          2HD2      ASN  35  14.426  -0.685  -4.552
  272    H    TRP  36           H        TRP  36   9.242   0.801  -5.338
  273    HA   TRP  36           HA       TRP  36   7.240   2.172  -3.655
  274   1HB   TRP  36          2HB       TRP  36   8.692   3.135  -5.927
  275   2HB   TRP  36          1HB       TRP  36   6.988   3.012  -6.360
  276    HD1  TRP  36           HD1      TRP  36   5.258   4.370  -4.646
  277    HE1  TRP  36           HE1      TRP  36   5.614   6.630  -3.474
  278    HE3  TRP  36           HE3      TRP  36  10.350   4.616  -4.908
  279    HZ2  TRP  36           HZ2      TRP  36   7.779   8.295  -2.737
  280    HZ3  TRP  36           HZ3      TRP  36  11.492   6.568  -3.940
  281    HH2  TRP  36           HH2      TRP  36  10.232   8.367  -2.878
  282    H    TYR  37           H        TYR  37   5.284   1.243  -3.631
  283    HA   TYR  37           HA       TYR  37   4.736  -0.762  -5.711
  284   1HB   TYR  37          2HB       TYR  37   3.679  -0.566  -2.893
  285   2HB   TYR  37          1HB       TYR  37   3.207  -1.791  -4.058
  286    HD1  TYR  37           HD1      TYR  37   5.576  -2.811  -5.209
  287    HD2  TYR  37           HD2      TYR  37   5.003  -1.428  -1.234
  288    HE1  TYR  37           HE1      TYR  37   7.422  -4.232  -4.433
  289    HE2  TYR  37           HE2      TYR  37   6.849  -2.868  -0.466
  290    HH   TYR  37           HH       TYR  37   8.441  -5.127  -2.660
  291    H    ARG  38           H        ARG  38   2.617  -1.042  -6.543
  292    HA   ARG  38           HA       ARG  38   1.023   1.420  -6.440
  293   1HB   ARG  38          2HB       ARG  38   1.313  -0.747  -8.534
  294   2HB   ARG  38          1HB       ARG  38  -0.034   0.377  -8.574
  295   1HG   ARG  38          2HG       ARG  38   1.214   1.882  -9.602
  296   2HG   ARG  38          1HG       ARG  38   2.438   1.812  -8.332
  297   1HD   ARG  38          2HD       ARG  38   2.347  -0.432 -10.275
  298   2HD   ARG  38          1HD       ARG  38   2.947   1.122 -10.857
  299    HE   ARG  38           HE       ARG  38   4.172   0.381  -8.405
  300   1HH1  ARG  38          1HH1      ARG  38   4.226  -0.294 -11.836
  301   2HH1  ARG  38          2HH1      ARG  38   5.900  -0.738 -11.837
  302   1HH2  ARG  38          1HH2      ARG  38   6.361  -0.201  -8.424
  303   2HH2  ARG  38          2HH2      ARG  38   7.108  -0.677  -9.912
  304    H    ALA  39           H        ALA  39  -0.689   1.314  -5.176
  305    HA   ALA  39           HA       ALA  39  -2.020  -1.280  -4.785
  306   1HB   ALA  39          1HB       ALA  39  -1.784  -1.101  -2.569
  307   2HB   ALA  39          2HB       ALA  39  -2.493   0.512  -2.577
  308   3HB   ALA  39          3HB       ALA  39  -0.760   0.308  -2.837
  309    H    GLU  40           H        GLU  40  -4.273  -0.969  -3.801
  310    HA   GLU  40           HA       GLU  40  -5.613   1.348  -4.957
  311   1HB   GLU  40          2HB       GLU  40  -5.534  -0.886  -6.439
  312   2HB   GLU  40          1HB       GLU  40  -6.933  -1.278  -5.449
  313   1HG   GLU  40          2HG       GLU  40  -7.296   1.371  -6.322
  314   2HG   GLU  40          1HG       GLU  40  -6.740   0.446  -7.718
  315    H    LEU  41           H        LEU  41  -7.797   1.669  -4.215
  316    HA   LEU  41           HA       LEU  41  -8.896   0.083  -2.134
  317   1HB   LEU  41          2HB       LEU  41  -7.001   1.335  -0.960
  318   2HB   LEU  41          1HB       LEU  41  -7.988   2.779  -1.162
  319    HG   LEU  41           HG       LEU  41  -9.714   0.845  -0.107
  320   1HD1  LEU  41          1HD1      LEU  41  -8.683  -0.061   1.825
  321   2HD1  LEU  41          2HD1      LEU  41  -7.204   0.849   1.551
  322   3HD1  LEU  41          3HD1      LEU  41  -7.645  -0.445   0.454
  323   1HD2  LEU  41          1HD2      LEU  41  -9.622   3.332   0.263
  324   2HD2  LEU  41          2HD2      LEU  41  -8.363   3.044   1.456
  325   3HD2  LEU  41          3HD2      LEU  41  -9.973   2.365   1.696
  326    H    ASP  42           H        ASP  42 -10.976   0.690  -1.535
  327    HA   ASP  42           HA       ASP  42 -13.062   1.439  -2.010
  328   1HB   ASP  42          2HB       ASP  42 -11.444   3.622  -1.204
  329   2HB   ASP  42          1HB       ASP  42 -12.502   4.212  -2.485
  330    H    GLY  43           H        GLY  43 -11.537   3.935  -4.025
  331   1HA   GLY  43          2HA       GLY  43 -12.379   2.513  -6.428
  332   2HA   GLY  43          1HA       GLY  43 -13.174   4.040  -6.099
  333    H    LYS  44           H        LYS  44  -9.876   3.834  -5.094
  334    HA   LYS  44           HA       LYS  44  -9.020   5.250  -7.528
  335   1HB   LYS  44          2HB       LYS  44  -7.636   6.677  -5.955
  336   2HB   LYS  44          1HB       LYS  44  -9.373   6.956  -5.912
  337   1HG   LYS  44          2HG       LYS  44  -8.905   4.999  -3.978
  338   2HG   LYS  44          1HG       LYS  44  -7.575   6.150  -3.803
  339   1HD   LYS  44          2HD       LYS  44  -9.506   7.920  -3.985
  340   2HD   LYS  44          1HD       LYS  44 -10.511   6.568  -3.461
  341   1HE   LYS  44          2HE       LYS  44  -8.619   6.313  -1.647
  342   2HE   LYS  44          1HE       LYS  44  -8.352   8.015  -2.013
  343   1HZ   LYS  44          1HZ       LYS  44 -10.980   8.018  -1.727
  344   2HZ   LYS  44          2HZ       LYS  44  -9.920   8.270  -0.433
  345   3HZ   LYS  44          3HZ       LYS  44 -10.604   6.744  -0.681
  346    H    GLU  45           H        GLU  45  -7.028   4.776  -8.281
  347    HA   GLU  45           HA       GLU  45  -5.461   2.775  -6.807
  348   1HB   GLU  45          2HB       GLU  45  -4.311   2.381  -8.967
  349   2HB   GLU  45          1HB       GLU  45  -6.043   2.100  -9.070
  350   1HG   GLU  45          2HG       GLU  45  -5.024   4.792  -9.808
  351   2HG   GLU  45          1HG       GLU  45  -4.724   3.450 -10.913
  352    H    GLY  46           H        GLY  46  -3.586   3.476  -5.781
  353   1HA   GLY  46          2HA       GLY  46  -2.328   5.882  -6.921
  354   2HA   GLY  46          1HA       GLY  46  -2.775   5.887  -5.234
  355    H    LEU  47           H        LEU  47  -0.302   6.531  -5.707
  356    HA   LEU  47           HA       LEU  47   1.375   4.136  -5.555
  357   1HB   LEU  47          2HB       LEU  47   1.768   6.894  -6.403
  358   2HB   LEU  47          1HB       LEU  47   3.082   6.280  -5.420
  359    HG   LEU  47           HG       LEU  47   2.344   4.360  -7.448
  360   1HD1  LEU  47          1HD1      LEU  47   1.806   5.808  -9.078
  361   2HD1  LEU  47          2HD1      LEU  47   3.551   6.060  -9.167
  362   3HD1  LEU  47          3HD1      LEU  47   2.543   7.177  -8.247
  363   1HD2  LEU  47          1HD2      LEU  47   4.916   5.402  -7.877
  364   2HD2  LEU  47          2HD2      LEU  47   4.481   3.915  -7.031
  365   3HD2  LEU  47          3HD2      LEU  47   4.653   5.427  -6.134
  366    H    ILE  48           H        ILE  48   2.715   3.666  -3.808
  367    HA   ILE  48           HA       ILE  48   2.901   5.489  -1.562
  368    HB   ILE  48           HB       ILE  48   2.252   3.449  -0.021
  369   1HG1  ILE  48          2HG1      ILE  48   1.789   2.000  -2.083
  370   2HG1  ILE  48          1HG1      ILE  48   0.588   2.002  -0.800
  371   1HG2  ILE  48          1HG2      ILE  48   0.523   4.705   0.587
  372   2HG2  ILE  48          2HG2      ILE  48  -0.180   4.714  -1.028
  373   3HG2  ILE  48          3HG2      ILE  48   1.129   5.828  -0.631
  374   1HD1  ILE  48          1HD1      ILE  48  -0.957   3.115  -2.063
  375   2HD1  ILE  48          2HD1      ILE  48  -0.135   2.147  -3.285
  376   3HD1  ILE  48          3HD1      ILE  48   0.251   3.855  -3.104
  377    HA   PRO  49           HA       PRO  49   6.587   3.094  -0.954
  378   1HB   PRO  49          2HB       PRO  49   7.046   3.408   1.673
  379   2HB   PRO  49          1HB       PRO  49   7.093   4.740   0.523
  380   1HG   PRO  49          2HG       PRO  49   5.184   4.225   2.658
  381   2HG   PRO  49          1HG       PRO  49   5.354   5.670   1.645
  382   1HD   PRO  49          2HD       PRO  49   3.513   3.398   1.365
  383   2HD   PRO  49          1HD       PRO  49   3.412   5.026   0.651
  384    H    SER  50           H        SER  50   7.770   1.428  -0.233
  385    HA   SER  50           HA       SER  50   6.486  -1.078   0.284
  386   1HB   SER  50          2HB       SER  50   9.396  -0.286   0.466
  387   2HB   SER  50          1HB       SER  50   8.783  -1.935   0.462
  388    HG   SER  50           HG       SER  50   7.900  -1.449  -1.638
  389    H    ASN  51           H        ASN  51   8.364   1.116   2.290
  390    HA   ASN  51           HA       ASN  51   8.529  -0.517   4.567
  391   1HB   ASN  51          2HB       ASN  51   9.370   1.411   5.704
  392   2HB   ASN  51          1HB       ASN  51  10.009   1.395   4.070
  393   1HD2  ASN  51          1HD2      ASN  51   7.816   2.472   2.712
  394   2HD2  ASN  51          2HD2      ASN  51   7.627   4.115   3.195
  395    H    TYR  52           H        TYR  52   5.824   1.355   3.469
  396    HA   TYR  52           HA       TYR  52   4.733   1.645   6.155
  397   1HB   TYR  52          2HB       TYR  52   3.849   2.570   3.453
  398   2HB   TYR  52          1HB       TYR  52   2.718   2.551   4.795
  399    HD1  TYR  52           HD1      TYR  52   2.509   4.997   4.349
  400    HD2  TYR  52           HD2      TYR  52   6.152   3.259   5.701
  401    HE1  TYR  52           HE1      TYR  52   3.303   7.216   5.042
  402    HE2  TYR  52           HE2      TYR  52   6.956   5.477   6.400
  403    HH   TYR  52           HH       TYR  52   6.356   7.989   5.586
  404    H    ILE  53           H        ILE  53   4.660  -0.652   3.641
  405    HA   ILE  53           HA       ILE  53   2.424  -2.021   4.948
  406    HB   ILE  53           HB       ILE  53   1.184  -2.261   3.066
  407   1HG1  ILE  53          2HG1      ILE  53   3.600  -2.363   1.266
  408   2HG1  ILE  53          1HG1      ILE  53   2.942  -3.786   2.071
  409   1HG2  ILE  53          1HG2      ILE  53   2.421  -0.450   1.257
  410   2HG2  ILE  53          2HG2      ILE  53   2.570   0.191   2.885
  411   3HG2  ILE  53          3HG2      ILE  53   0.985  -0.216   2.243
  412   1HD1  ILE  53          1HD1      ILE  53   2.138  -2.588  -0.364
  413   2HD1  ILE  53          2HD1      ILE  53   0.806  -2.479   0.781
  414   3HD1  ILE  53          3HD1      ILE  53   1.525  -4.041   0.411
  415    H    GLU  54           H        GLU  54   2.418  -4.328   4.596
  416    HA   GLU  54           HA       GLU  54   4.926  -5.589   3.745
  417   1HB   GLU  54          2HB       GLU  54   3.772  -5.535   6.478
  418   2HB   GLU  54          1HB       GLU  54   4.321  -7.105   5.909
  419   1HG   GLU  54          2HG       GLU  54   6.504  -5.890   5.305
  420   2HG   GLU  54          1HG       GLU  54   5.906  -4.605   6.358
  421    H    MET  55           H        MET  55   4.627  -7.589   2.779
  422    HA   MET  55           HA       MET  55   1.948  -8.297   2.165
  423   1HB   MET  55          2HB       MET  55   4.615  -9.425   1.361
  424   2HB   MET  55          1HB       MET  55   3.118 -10.241   0.917
  425   1HG   MET  55          2HG       MET  55   3.249  -7.359   0.321
  426   2HG   MET  55          1HG       MET  55   4.328  -8.400  -0.611
  427   1HE   MET  55          1HE       MET  55   3.853  -9.235  -2.594
  428   2HE   MET  55          2HE       MET  55   2.310  -9.706  -3.303
  429   3HE   MET  55          3HE       MET  55   3.077 -10.740  -2.099
  430    H    LYS  56           H        LYS  56   1.191 -10.537   2.317
  431    HA   LYS  56           HA       LYS  56   1.663 -11.628   4.978
  432   1HB   LYS  56          2HB       LYS  56  -0.179 -13.232   3.437
  433   2HB   LYS  56          1HB       LYS  56  -0.372 -12.465   5.008
  434   1HG   LYS  56          2HG       LYS  56  -0.453 -10.485   2.923
  435   2HG   LYS  56          1HG       LYS  56  -1.603 -11.775   2.582
  436   1HD   LYS  56          2HD       LYS  56  -1.419 -10.374   5.245
  437   2HD   LYS  56          1HD       LYS  56  -2.496  -9.857   3.944
  438   1HE   LYS  56          2HE       LYS  56  -3.040 -12.531   4.115
  439   2HE   LYS  56          1HE       LYS  56  -2.725 -12.109   5.802
  440   1HZ   LYS  56          1HZ       LYS  56  -5.097 -11.862   4.783
  441   2HZ   LYS  56          2HZ       LYS  56  -4.490 -10.387   4.218
  442   3HZ   LYS  56          3HZ       LYS  56  -4.508 -10.713   5.878
  443    H    ASN  57           H        ASN  57   2.878 -13.182   5.476
  444    HA   ASN  57           HA       ASN  57   3.538 -15.527   3.946
  445   1HB   ASN  57          2HB       ASN  57   5.915 -15.078   3.674
  446   2HB   ASN  57          1HB       ASN  57   4.995 -13.851   2.807
  447   1HD2  ASN  57          1HD2      ASN  57   7.535 -14.350   4.833
  448   2HD2  ASN  57          2HD2      ASN  57   7.684 -12.767   5.507
  449    H    HIS  58           H        HIS  58   6.156 -15.736   5.434
  450    HA   HIS  58           HA       HIS  58   5.053 -16.927   7.736
  451   1HB   HIS  58          2HB       HIS  58   7.715 -16.577   6.574
  452   2HB   HIS  58          1HB       HIS  58   7.766 -16.423   8.324
  453    HD1  HIS  58           HD1      HIS  58   7.302 -18.543   9.712
  454    HD2  HIS  58           HD2      HIS  58   7.148 -19.143   5.601
  455    HE1  HIS  58           HE1      HIS  58   7.335 -21.036   9.395
  456    HE2  HIS  58           HE2      HIS  58   7.300 -21.375   6.897
  457    H    ASP  59           H        ASP  59   7.272 -14.157   7.463
  458    HA   ASP  59           HA       ASP  59   6.242 -13.104   9.987
  459   1HB   ASP  59          2HB       ASP  59   8.800 -13.405   9.218
  460   2HB   ASP  59          1HB       ASP  59   8.511 -11.778   8.610
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1  -6.188 -11.242  -3.642
    2   2H    MET   1          2H        MET   1  -5.481  -9.897  -4.436
    3   3H    MET   1          3H        MET   1  -6.466  -9.658  -3.051
    4    HA   MET   1           HA       MET   1  -4.822 -11.091  -1.850
    5   1HB   MET   1          2HB       MET   1  -3.714 -10.957  -4.527
    6   2HB   MET   1          1HB       MET   1  -2.567 -10.350  -3.342
    7   1HG   MET   1          2HG       MET   1  -2.071 -12.399  -2.683
    8   2HG   MET   1          1HG       MET   1  -3.766 -12.762  -2.372
    9   1HE   MET   1          1HE       MET   1  -0.746 -13.322  -4.948
   10   2HE   MET   1          2HE       MET   1  -1.295 -14.988  -5.115
   11   3HE   MET   1          3HE       MET   1  -1.059 -14.294  -3.511
   12    H    GLU   2           H        GLU   2  -4.742  -9.651  -0.212
   13    HA   GLU   2           HA       GLU   2  -4.101  -6.878  -0.876
   14   1HB   GLU   2          2HB       GLU   2  -5.689  -8.219   1.200
   15   2HB   GLU   2          1HB       GLU   2  -4.766  -6.840   1.770
   16   1HG   GLU   2          2HG       GLU   2  -6.695  -5.804   1.192
   17   2HG   GLU   2          1HG       GLU   2  -5.831  -5.678  -0.339
   18    H    ALA   3           H        ALA   3  -3.124  -5.664   0.951
   19    HA   ALA   3           HA       ALA   3  -0.771  -6.980   2.158
   20   1HB   ALA   3          1HB       ALA   3  -0.099  -4.354   1.220
   21   2HB   ALA   3          2HB       ALA   3  -0.667  -5.356  -0.115
   22   3HB   ALA   3          3HB       ALA   3   0.678  -5.902   0.884
   23    H    ILE   4           H        ILE   4  -0.019  -5.908   4.055
   24    HA   ILE   4           HA       ILE   4  -1.970  -3.998   5.149
   25    HB   ILE   4           HB       ILE   4  -0.381  -6.202   6.319
   26   1HG1  ILE   4          2HG1      ILE   4  -2.867  -6.164   6.008
   27   2HG1  ILE   4          1HG1      ILE   4  -2.343  -6.499   7.657
   28   1HG2  ILE   4          1HG2      ILE   4  -0.868  -4.863   8.606
   29   2HG2  ILE   4          2HG2      ILE   4  -0.405  -3.532   7.555
   30   3HG2  ILE   4          3HG2      ILE   4   0.695  -4.887   7.795
   31   1HD1  ILE   4          1HD1      ILE   4  -4.224  -4.684   6.968
   32   2HD1  ILE   4          2HD1      ILE   4  -2.796  -3.670   7.095
   33   3HD1  ILE   4          3HD1      ILE   4  -3.306  -4.656   8.464
   34    H    ALA   5           H        ALA   5  -1.204  -2.090   6.180
   35    HA   ALA   5           HA       ALA   5   1.638  -1.529   6.057
   36   1HB   ALA   5          1HB       ALA   5   1.421  -0.462   4.090
   37   2HB   ALA   5          2HB       ALA   5   0.760   0.818   5.057
   38   3HB   ALA   5          3HB       ALA   5  -0.315  -0.312   4.249
   39    H    LYS   6           H        LYS   6   1.915  -0.935   8.213
   40    HA   LYS   6           HA       LYS   6  -0.170   0.851   9.264
   41   1HB   LYS   6          2HB       LYS   6   0.340  -1.241  10.469
   42   2HB   LYS   6          1HB       LYS   6   1.966  -0.647  10.746
   43   1HG   LYS   6          2HG       LYS   6   1.123   1.145  12.123
   44   2HG   LYS   6          1HG       LYS   6  -0.540   0.682  11.758
   45   1HD   LYS   6          2HD       LYS   6  -0.501  -0.701  13.508
   46   2HD   LYS   6          1HD       LYS   6   0.743  -1.645  12.693
   47   1HE   LYS   6          2HE       LYS   6   1.843   0.735  13.931
   48   2HE   LYS   6          1HE       LYS   6   0.995  -0.275  15.100
   49   1HZ   LYS   6          1HZ       LYS   6   2.326  -2.172  14.279
   50   2HZ   LYS   6          2HZ       LYS   6   3.265  -0.958  14.992
   51   3HZ   LYS   6          3HZ       LYS   6   3.210  -1.105  13.309
   52    H    HIS   7           H        HIS   7   0.318   2.904   8.658
   53    HA   HIS   7           HA       HIS   7   2.219   4.177  10.201
   54   1HB   HIS   7          2HB       HIS   7   3.144   3.376   7.633
   55   2HB   HIS   7          1HB       HIS   7   2.876   5.111   7.535
   56    HD1  HIS   7           HD1      HIS   7   5.192   2.580   8.736
   57    HD2  HIS   7           HD2      HIS   7   4.470   6.603   9.435
   58    HE1  HIS   7           HE1      HIS   7   7.281   3.451   9.827
   59    HE2  HIS   7           HE2      HIS   7   6.882   5.925  10.084
   60    H    ASP   8           H        ASP   8   1.201   6.351  10.557
   61    HA   ASP   8           HA       ASP   8  -1.279   6.770   9.223
   62   1HB   ASP   8          2HB       ASP   8  -0.674   7.819  11.457
   63   2HB   ASP   8          1HB       ASP   8   0.302   8.969  10.553
   64    H    PHE   9           H        PHE   9  -1.799   8.493   7.684
   65    HA   PHE   9           HA       PHE   9   0.332   9.947   6.448
   66   1HB   PHE   9          2HB       PHE   9  -0.049   7.413   5.424
   67   2HB   PHE   9          1HB       PHE   9  -1.027   8.412   4.361
   68    HD1  PHE   9           HD1      PHE   9   0.368  10.800   3.898
   69    HD2  PHE   9           HD2      PHE   9   1.970   6.903   4.494
   70    HE1  PHE   9           HE1      PHE   9   2.383  11.440   2.641
   71    HE2  PHE   9           HE2      PHE   9   3.991   7.537   3.242
   72    HZ   PHE   9           HZ       PHE   9   4.199   9.808   2.314
   73    H    SER  10           H        SER  10  -0.549  11.855   6.312
   74    HA   SER  10           HA       SER  10  -3.276  11.999   5.238
   75   1HB   SER  10          2HB       SER  10  -2.069  13.746   7.363
   76   2HB   SER  10          1HB       SER  10  -3.330  14.385   6.306
   77    HG   SER  10           HG       SER  10  -3.515  12.062   7.930
   78    H    ALA  11           H        ALA  11  -1.022  14.669   5.759
   79    HA   ALA  11           HA       ALA  11  -1.397  15.966   3.370
   80   1HB   ALA  11          1HB       ALA  11  -0.029  16.906   5.162
   81   2HB   ALA  11          2HB       ALA  11   0.833  16.952   3.626
   82   3HB   ALA  11          3HB       ALA  11   1.238  15.726   4.826
   83    H    THR  12           H        THR  12  -1.053  15.518   1.312
   84    HA   THR  12           HA       THR  12   1.006  13.554   0.526
   85    HB   THR  12           HB       THR  12  -1.136  12.817  -0.991
   86    HG1  THR  12           HG1      THR  12  -2.487  12.651   1.283
   87   1HG2  THR  12          1HG2      THR  12   0.035  11.077  -0.101
   88   2HG2  THR  12          2HG2      THR  12  -1.394  11.042   0.920
   89   3HG2  THR  12          3HG2      THR  12   0.090  11.787   1.506
   90    H    ALA  13           H        ALA  13  -0.288  13.292  -2.118
   91    HA   ALA  13           HA       ALA  13  -0.528  15.814  -3.411
   92   1HB   ALA  13          1HB       ALA  13   1.529  16.212  -4.142
   93   2HB   ALA  13          2HB       ALA  13   1.555  14.633  -4.928
   94   3HB   ALA  13          3HB       ALA  13   2.128  14.803  -3.269
   95    H    ASP  14           H        ASP  14  -0.656  15.338  -5.890
   96    HA   ASP  14           HA       ASP  14  -2.442  13.116  -6.283
   97   1HB   ASP  14          2HB       ASP  14  -2.089  15.495  -7.608
   98   2HB   ASP  14          1HB       ASP  14  -1.376  14.337  -8.728
   99    H    ASP  15           H        ASP  15   0.042  12.255  -5.364
  100    HA   ASP  15           HA       ASP  15   0.689  10.320  -7.386
  101   1HB   ASP  15          2HB       ASP  15   2.481  12.576  -6.788
  102   2HB   ASP  15          1HB       ASP  15   3.253  10.993  -6.699
  103    H    GLU  16           H        GLU  16   1.524  11.689  -4.173
  104    HA   GLU  16           HA       GLU  16   2.240   9.043  -3.263
  105   1HB   GLU  16          2HB       GLU  16   2.275  11.787  -2.039
  106   2HB   GLU  16          1HB       GLU  16   2.443  10.360  -1.027
  107   1HG   GLU  16          2HG       GLU  16   4.320   9.738  -2.734
  108   2HG   GLU  16          1HG       GLU  16   4.302  11.467  -3.073
  109    H    LEU  17           H        LEU  17   0.714   7.665  -2.673
  110    HA   LEU  17           HA       LEU  17  -1.968   8.511  -2.087
  111   1HB   LEU  17          2HB       LEU  17  -0.683   6.144  -2.917
  112   2HB   LEU  17          1HB       LEU  17  -1.431   5.765  -1.378
  113    HG   LEU  17           HG       LEU  17  -2.909   5.242  -3.277
  114   1HD1  LEU  17          1HD1      LEU  17  -3.980   7.604  -1.753
  115   2HD1  LEU  17          2HD1      LEU  17  -3.783   6.006  -1.038
  116   3HD1  LEU  17          3HD1      LEU  17  -4.881   6.234  -2.400
  117   1HD2  LEU  17          1HD2      LEU  17  -2.038   7.048  -4.760
  118   2HD2  LEU  17          2HD2      LEU  17  -2.920   8.217  -3.779
  119   3HD2  LEU  17          3HD2      LEU  17  -3.800   6.978  -4.678
  120    H    SER  18           H        SER  18  -2.824   8.923  -0.123
  121    HA   SER  18           HA       SER  18  -1.204   8.365   2.245
  122   1HB   SER  18          2HB       SER  18  -3.147  10.400   1.523
  123   2HB   SER  18          1HB       SER  18  -3.538   9.666   3.079
  124    HG   SER  18           HG       SER  18  -1.642  10.334   3.879
  125    H    PHE  19           H        PHE  19  -2.568   7.807   4.245
  126    HA   PHE  19           HA       PHE  19  -4.913   6.357   4.050
  127   1HB   PHE  19          2HB       PHE  19  -2.742   4.883   3.014
  128   2HB   PHE  19          1HB       PHE  19  -3.071   4.186   4.596
  129    HD1  PHE  19           HD1      PHE  19  -4.167   4.485   1.181
  130    HD2  PHE  19           HD2      PHE  19  -5.374   3.321   5.091
  131    HE1  PHE  19           HE1      PHE  19  -6.056   3.223   0.239
  132    HE2  PHE  19           HE2      PHE  19  -7.259   2.074   4.143
  133    HZ   PHE  19           HZ       PHE  19  -7.604   2.027   1.712
  134    H    ARG  20           H        ARG  20  -4.779   4.491   5.962
  135    HA   ARG  20           HA       ARG  20  -3.973   5.994   8.354
  136   1HB   ARG  20          2HB       ARG  20  -6.387   4.596   7.601
  137   2HB   ARG  20          1HB       ARG  20  -5.729   3.911   9.081
  138   1HG   ARG  20          2HG       ARG  20  -5.577   6.353   9.879
  139   2HG   ARG  20          1HG       ARG  20  -6.694   6.689   8.553
  140   1HD   ARG  20          2HD       ARG  20  -8.407   5.507   9.520
  141   2HD   ARG  20          1HD       ARG  20  -7.314   4.446  10.404
  142    HE   ARG  20           HE       ARG  20  -6.918   6.294  11.945
  143   1HH1  ARG  20          1HH1      ARG  20  -9.732   6.549   9.875
  144   2HH1  ARG  20          2HH1      ARG  20 -10.561   7.628  10.944
  145   1HH2  ARG  20          1HH2      ARG  20  -8.034   7.706  13.342
  146   2HH2  ARG  20          2HH2      ARG  20  -9.605   8.280  12.897
  147    H    LYS  21           H        LYS  21  -3.144   4.694  10.200
  148    HA   LYS  21           HA       LYS  21  -1.225   2.779   9.386
  149   1HB   LYS  21          2HB       LYS  21  -2.100   2.717  12.213
  150   2HB   LYS  21          1HB       LYS  21  -0.481   2.846  11.545
  151   1HG   LYS  21          2HG       LYS  21  -0.571   4.918  12.397
  152   2HG   LYS  21          1HG       LYS  21  -1.459   5.286  10.917
  153   1HD   LYS  21          2HD       LYS  21  -3.387   5.613  12.024
  154   2HD   LYS  21          1HD       LYS  21  -3.136   4.208  13.060
  155   1HE   LYS  21          2HE       LYS  21  -1.233   5.959  13.967
  156   2HE   LYS  21          1HE       LYS  21  -2.562   7.035  13.544
  157   1HZ   LYS  21          1HZ       LYS  21  -3.465   4.735  14.971
  158   2HZ   LYS  21          2HZ       LYS  21  -3.718   6.370  15.305
  159   3HZ   LYS  21          3HZ       LYS  21  -2.313   5.600  15.856
  160    H    THR  22           H        THR  22  -1.317   0.651   9.324
  161    HA   THR  22           HA       THR  22  -1.933  -1.481   9.498
  162    HB   THR  22           HB       THR  22  -2.658  -0.505  11.847
  163    HG1  THR  22           HG1      THR  22  -3.467  -2.777  12.204
  164   1HG2  THR  22          1HG2      THR  22  -5.249  -1.720  10.966
  165   2HG2  THR  22          2HG2      THR  22  -4.992   0.020  10.971
  166   3HG2  THR  22          3HG2      THR  22  -4.868  -0.890  12.474
  167    H    GLN  23           H        GLN  23  -3.954   0.839   8.163
  168    HA   GLN  23           HA       GLN  23  -6.091  -0.952   7.557
  169   1HB   GLN  23          2HB       GLN  23  -5.579   1.827   6.944
  170   2HB   GLN  23          1HB       GLN  23  -6.230   0.967   5.555
  171   1HG   GLN  23          2HG       GLN  23  -7.461   1.067   8.298
  172   2HG   GLN  23          1HG       GLN  23  -7.986   1.989   6.889
  173   1HE2  GLN  23          1HE2      GLN  23  -9.971   1.164   6.619
  174   2HE2  GLN  23          2HE2      GLN  23 -10.307  -0.498   6.282
  175    H    ILE  24           H        ILE  24  -6.589  -2.050   5.745
  176    HA   ILE  24           HA       ILE  24  -4.332  -3.154   4.349
  177    HB   ILE  24           HB       ILE  24  -6.085  -4.605   3.263
  178   1HG1  ILE  24          2HG1      ILE  24  -8.190  -4.178   5.111
  179   2HG1  ILE  24          1HG1      ILE  24  -7.800  -2.608   4.413
  180   1HG2  ILE  24          1HG2      ILE  24  -5.249  -4.501   6.011
  181   2HG2  ILE  24          2HG2      ILE  24  -5.421  -5.891   4.947
  182   3HG2  ILE  24          3HG2      ILE  24  -6.810  -5.294   5.855
  183   1HD1  ILE  24          1HD1      ILE  24  -9.576  -3.887   3.230
  184   2HD1  ILE  24          2HD1      ILE  24  -8.345  -5.063   2.774
  185   3HD1  ILE  24          3HD1      ILE  24  -8.221  -3.396   2.218
  186    H    LEU  25           H        LEU  25  -3.659  -2.751   2.344
  187    HA   LEU  25           HA       LEU  25  -5.321  -1.008   0.652
  188   1HB   LEU  25          2HB       LEU  25  -2.337  -1.456   0.577
  189   2HB   LEU  25          1HB       LEU  25  -3.236  -0.415  -0.511
  190    HG   LEU  25           HG       LEU  25  -3.973   0.734   1.754
  191   1HD1  LEU  25          1HD1      LEU  25  -1.200   0.040   2.560
  192   2HD1  LEU  25          2HD1      LEU  25  -2.471  -1.137   2.877
  193   3HD1  LEU  25          3HD1      LEU  25  -2.592   0.487   3.548
  194   1HD2  LEU  25          1HD2      LEU  25  -2.913   2.352   0.658
  195   2HD2  LEU  25          2HD2      LEU  25  -1.973   1.165  -0.247
  196   3HD2  LEU  25          3HD2      LEU  25  -1.385   1.754   1.297
  197    H    LYS  26           H        LYS  26  -5.635  -1.544  -1.516
  198    HA   LYS  26           HA       LYS  26  -5.404  -4.366  -2.148
  199   1HB   LYS  26          2HB       LYS  26  -7.027  -2.098  -2.944
  200   2HB   LYS  26          1HB       LYS  26  -6.428  -2.973  -4.343
  201   1HG   LYS  26          2HG       LYS  26  -7.312  -4.984  -2.689
  202   2HG   LYS  26          1HG       LYS  26  -8.502  -3.699  -2.460
  203   1HD   LYS  26          2HD       LYS  26  -7.635  -4.315  -5.233
  204   2HD   LYS  26          1HD       LYS  26  -8.704  -5.469  -4.436
  205   1HE   LYS  26          2HE       LYS  26  -9.203  -2.555  -5.006
  206   2HE   LYS  26          1HE       LYS  26 -10.089  -3.948  -5.626
  207   1HZ   LYS  26          1HZ       LYS  26 -10.551  -4.368  -3.129
  208   2HZ   LYS  26          2HZ       LYS  26 -11.457  -3.207  -3.960
  209   3HZ   LYS  26          3HZ       LYS  26 -10.188  -2.725  -2.954
  210    H    ILE  27           H        ILE  27  -3.308  -4.857  -2.713
  211    HA   ILE  27           HA       ILE  27  -1.756  -3.095  -4.390
  212    HB   ILE  27           HB       ILE  27  -0.808  -4.540  -2.571
  213   1HG1  ILE  27          2HG1      ILE  27   0.480  -3.391  -4.401
  214   2HG1  ILE  27          1HG1      ILE  27   1.283  -4.773  -3.667
  215   1HG2  ILE  27          1HG2      ILE  27  -1.531  -6.669  -2.685
  216   2HG2  ILE  27          2HG2      ILE  27  -0.081  -6.855  -3.673
  217   3HG2  ILE  27          3HG2      ILE  27  -1.652  -6.665  -4.441
  218   1HD1  ILE  27          1HD1      ILE  27   0.135  -6.024  -5.708
  219   2HD1  ILE  27          2HD1      ILE  27   1.696  -5.216  -5.843
  220   3HD1  ILE  27          3HD1      ILE  27   0.240  -4.409  -6.404
  221    H    LEU  28           H        LEU  28  -1.494  -3.209  -6.597
  222    HA   LEU  28           HA       LEU  28  -3.230  -5.097  -7.960
  223   1HB   LEU  28          2HB       LEU  28  -3.385  -2.652  -8.349
  224   2HB   LEU  28          1HB       LEU  28  -1.796  -2.708  -9.088
  225    HG   LEU  28           HG       LEU  28  -3.345  -4.675 -10.395
  226   1HD1  LEU  28          1HD1      LEU  28  -5.251  -3.526 -11.208
  227   2HD1  LEU  28          2HD1      LEU  28  -4.786  -2.036 -10.381
  228   3HD1  LEU  28          3HD1      LEU  28  -5.304  -3.439  -9.451
  229   1HD2  LEU  28          1HD2      LEU  28  -2.214  -2.007 -11.128
  230   2HD2  LEU  28          2HD2      LEU  28  -3.148  -2.949 -12.289
  231   3HD2  LEU  28          3HD2      LEU  28  -1.668  -3.616 -11.599
  232    H    ASN  29           H        ASN  29   0.203  -4.041  -8.292
  233    HA   ASN  29           HA       ASN  29   0.765  -6.598  -9.590
  234   1HB   ASN  29          2HB       ASN  29   0.451  -4.386 -11.137
  235   2HB   ASN  29          1HB       ASN  29   2.156  -4.239 -10.728
  236   1HD2  ASN  29          1HD2      ASN  29   3.495  -6.194 -11.123
  237   2HD2  ASN  29          2HD2      ASN  29   3.131  -7.150 -12.513
  238    H    MET  30           H        MET  30   2.711  -7.454  -8.809
  239    HA   MET  30           HA       MET  30   4.479  -5.636  -7.272
  240   1HB   MET  30          2HB       MET  30   3.174  -8.124  -6.490
  241   2HB   MET  30          1HB       MET  30   4.892  -8.058  -6.128
  242   1HG   MET  30          2HG       MET  30   4.330  -5.729  -5.141
  243   2HG   MET  30          1HG       MET  30   2.680  -6.336  -5.126
  244   1HE   MET  30          1HE       MET  30   2.132  -8.059  -2.260
  245   2HE   MET  30          2HE       MET  30   2.526  -9.309  -3.442
  246   3HE   MET  30          3HE       MET  30   1.725  -7.824  -3.961
  247    H    GLU  31           H        GLU  31   6.509  -5.491  -7.883
  248    HA   GLU  31           HA       GLU  31   7.693  -7.521  -9.689
  249   1HB   GLU  31          2HB       GLU  31   9.020  -5.068  -8.496
  250   2HB   GLU  31          1HB       GLU  31   9.619  -6.068  -9.805
  251   1HG   GLU  31          2HG       GLU  31   7.122  -5.095 -10.634
  252   2HG   GLU  31          1HG       GLU  31   7.981  -3.734  -9.910
  253    H    ASP  32           H        ASP  32   9.781  -8.458  -8.920
  254    HA   ASP  32           HA       ASP  32   9.455  -9.644  -6.503
  255   1HB   ASP  32          2HB       ASP  32  11.886 -10.255  -6.599
  256   2HB   ASP  32          1HB       ASP  32  10.961 -10.600  -8.060
  257    H    ASP  33           H        ASP  33  11.557  -6.718  -6.931
  258    HA   ASP  33           HA       ASP  33  10.944  -6.052  -4.227
  259   1HB   ASP  33          2HB       ASP  33  13.252  -7.726  -4.729
  260   2HB   ASP  33          1HB       ASP  33  13.679  -6.270  -3.839
  261    H    SER  34           H        SER  34  10.350  -4.188  -4.952
  262    HA   SER  34           HA       SER  34  12.414  -2.304  -5.902
  263   1HB   SER  34          2HB       SER  34   9.524  -2.587  -6.533
  264   2HB   SER  34          1HB       SER  34  10.201  -0.963  -6.515
  265    HG   SER  34           HG       SER  34  11.487  -3.044  -7.907
  266    H    ASN  35           H        ASN  35  10.093  -0.172  -5.198
  267    HA   ASN  35           HA       ASN  35  10.473  -0.108  -2.296
  268   1HB   ASN  35          2HB       ASN  35  12.231   1.130  -3.951
  269   2HB   ASN  35          1HB       ASN  35  11.037   2.406  -3.733
  270   1HD2  ASN  35          1HD2      ASN  35  10.424   2.852  -1.454
  271   2HD2  ASN  35          2HD2      ASN  35  11.674   2.795  -0.263
  272    H    TRP  36           H        TRP  36   8.806   0.953  -5.165
  273    HA   TRP  36           HA       TRP  36   6.647   2.019  -3.495
  274   1HB   TRP  36          2HB       TRP  36   6.241   3.812  -5.148
  275   2HB   TRP  36          1HB       TRP  36   7.806   3.959  -4.360
  276    HD1  TRP  36           HD1      TRP  36   8.726   1.471  -6.694
  277    HE1  TRP  36           HE1      TRP  36   9.548   2.431  -8.929
  278    HE3  TRP  36           HE3      TRP  36   6.863   6.217  -6.282
  279    HZ2  TRP  36           HZ2      TRP  36   9.425   4.862 -10.342
  280    HZ3  TRP  36           HZ3      TRP  36   7.262   7.797  -8.127
  281    HH2  TRP  36           HH2      TRP  36   8.517   7.131 -10.113
  282    H    TYR  37           H        TYR  37   4.989   0.727  -3.781
  283    HA   TYR  37           HA       TYR  37   4.670  -0.625  -6.365
  284   1HB   TYR  37          2HB       TYR  37   3.404  -1.215  -3.685
  285   2HB   TYR  37          1HB       TYR  37   3.159  -2.157  -5.154
  286    HD1  TYR  37           HD1      TYR  37   6.452  -1.242  -5.428
  287    HD2  TYR  37           HD2      TYR  37   3.981  -3.742  -3.025
  288    HE1  TYR  37           HE1      TYR  37   8.406  -2.615  -4.863
  289    HE2  TYR  37           HE2      TYR  37   5.931  -5.125  -2.457
  290    HH   TYR  37           HH       TYR  37   8.253  -5.144  -2.449
  291    H    ARG  38           H        ARG  38   2.625  -0.778  -7.407
  292    HA   ARG  38           HA       ARG  38   1.049   1.651  -7.081
  293   1HB   ARG  38          2HB       ARG  38   1.824   0.156  -9.300
  294   2HB   ARG  38          1HB       ARG  38   0.129  -0.267  -9.110
  295   1HG   ARG  38          2HG       ARG  38  -0.536   2.017  -9.324
  296   2HG   ARG  38          1HG       ARG  38   1.144   2.562  -9.280
  297   1HD   ARG  38          2HD       ARG  38   1.070   0.708 -11.352
  298   2HD   ARG  38          1HD       ARG  38  -0.438   1.604 -11.518
  299    HE   ARG  38           HE       ARG  38   1.432   3.547 -11.196
  300   1HH1  ARG  38          1HH1      ARG  38   1.129   0.828 -13.365
  301   2HH1  ARG  38          2HH1      ARG  38   1.965   1.614 -14.663
  302   1HH2  ARG  38          1HH2      ARG  38   2.580   4.556 -12.891
  303   2HH2  ARG  38          2HH2      ARG  38   2.783   3.727 -14.397
  304    H    ALA  39           H        ALA  39  -0.386   1.526  -5.499
  305    HA   ALA  39           HA       ALA  39  -1.907  -0.962  -5.120
  306   1HB   ALA  39          1HB       ALA  39  -1.967  -0.582  -2.842
  307   2HB   ALA  39          2HB       ALA  39  -1.784   1.162  -3.021
  308   3HB   ALA  39          3HB       ALA  39  -0.394   0.100  -3.254
  309    H    GLU  40           H        GLU  40  -4.130  -0.548  -4.046
  310    HA   GLU  40           HA       GLU  40  -5.385   1.855  -5.130
  311   1HB   GLU  40          2HB       GLU  40  -7.175   0.581  -6.233
  312   2HB   GLU  40          1HB       GLU  40  -5.594   0.227  -6.926
  313   1HG   GLU  40          2HG       GLU  40  -5.631  -1.717  -5.194
  314   2HG   GLU  40          1HG       GLU  40  -7.371  -1.487  -5.285
  315    H    LEU  41           H        LEU  41  -7.589   2.185  -4.423
  316    HA   LEU  41           HA       LEU  41  -8.633   0.689  -2.203
  317   1HB   LEU  41          2HB       LEU  41  -8.528   2.559  -0.592
  318   2HB   LEU  41          1HB       LEU  41  -6.952   1.899  -0.987
  319    HG   LEU  41           HG       LEU  41  -7.737   4.184  -2.655
  320   1HD1  LEU  41          1HD1      LEU  41  -8.444   5.545  -1.060
  321   2HD1  LEU  41          2HD1      LEU  41  -6.840   5.447  -0.337
  322   3HD1  LEU  41          3HD1      LEU  41  -8.115   4.349   0.193
  323   1HD2  LEU  41          1HD2      LEU  41  -5.424   2.872  -2.102
  324   2HD2  LEU  41          2HD2      LEU  41  -5.290   4.269  -1.027
  325   3HD2  LEU  41          3HD2      LEU  41  -5.515   4.506  -2.759
  326    H    ASP  42           H        ASP  42 -10.753   1.148  -1.795
  327    HA   ASP  42           HA       ASP  42 -12.871   1.714  -2.357
  328   1HB   ASP  42          2HB       ASP  42 -11.403   4.110  -1.701
  329   2HB   ASP  42          1HB       ASP  42 -12.720   4.473  -2.808
  330    H    GLY  43           H        GLY  43 -11.544   4.332  -4.324
  331   1HA   GLY  43          2HA       GLY  43 -12.304   2.849  -6.739
  332   2HA   GLY  43          1HA       GLY  43 -13.065   4.401  -6.429
  333    H    LYS  44           H        LYS  44  -9.792   4.128  -5.393
  334    HA   LYS  44           HA       LYS  44  -8.878   5.483  -7.845
  335   1HB   LYS  44          2HB       LYS  44  -9.189   6.570  -5.228
  336   2HB   LYS  44          1HB       LYS  44  -7.470   6.487  -5.584
  337   1HG   LYS  44          2HG       LYS  44  -7.656   7.898  -7.426
  338   2HG   LYS  44          1HG       LYS  44  -9.393   7.635  -7.566
  339   1HD   LYS  44          2HD       LYS  44  -9.808   9.387  -6.272
  340   2HD   LYS  44          1HD       LYS  44  -8.806   8.718  -4.985
  341   1HE   LYS  44          2HE       LYS  44  -6.983   9.675  -6.854
  342   2HE   LYS  44          1HE       LYS  44  -8.261  10.888  -6.828
  343   1HZ   LYS  44          1HZ       LYS  44  -7.032   9.859  -4.340
  344   2HZ   LYS  44          2HZ       LYS  44  -7.950  11.261  -4.551
  345   3HZ   LYS  44          3HZ       LYS  44  -6.382  11.174  -5.184
  346    H    GLU  45           H        GLU  45  -6.859   4.987  -8.529
  347    HA   GLU  45           HA       GLU  45  -5.407   2.877  -7.091
  348   1HB   GLU  45          2HB       GLU  45  -4.057   2.814  -9.247
  349   2HB   GLU  45          1HB       GLU  45  -5.743   2.325  -9.388
  350   1HG   GLU  45          2HG       GLU  45  -6.328   4.167 -10.588
  351   2HG   GLU  45          1HG       GLU  45  -5.071   5.173  -9.866
  352    H    GLY  46           H        GLY  46  -3.090   3.177  -6.618
  353   1HA   GLY  46          2HA       GLY  46  -1.997   5.808  -7.107
  354   2HA   GLY  46          1HA       GLY  46  -2.491   5.542  -5.458
  355    H    LEU  47           H        LEU  47   0.062   6.278  -5.998
  356    HA   LEU  47           HA       LEU  47   1.663   3.826  -5.904
  357   1HB   LEU  47          2HB       LEU  47   2.759   6.616  -5.787
  358   2HB   LEU  47          1HB       LEU  47   3.582   5.145  -6.267
  359    HG   LEU  47           HG       LEU  47   1.271   5.778  -7.949
  360   1HD1  LEU  47          1HD1      LEU  47   1.911   8.050  -7.507
  361   2HD1  LEU  47          2HD1      LEU  47   2.425   7.614  -9.137
  362   3HD1  LEU  47          3HD1      LEU  47   3.604   7.678  -7.828
  363   1HD2  LEU  47          1HD2      LEU  47   2.777   5.185  -9.711
  364   2HD2  LEU  47          2HD2      LEU  47   3.006   4.038  -8.392
  365   3HD2  LEU  47          3HD2      LEU  47   4.172   5.337  -8.643
  366    H    ILE  48           H        ILE  48   2.967   3.285  -4.110
  367    HA   ILE  48           HA       ILE  48   2.859   4.956  -1.713
  368    HB   ILE  48           HB       ILE  48   2.080   2.969  -0.355
  369   1HG1  ILE  48          2HG1      ILE  48   0.539   1.669  -2.337
  370   2HG1  ILE  48          1HG1      ILE  48   2.199   1.719  -2.928
  371   1HG2  ILE  48          1HG2      ILE  48  -0.361   3.215  -1.384
  372   2HG2  ILE  48          2HG2      ILE  48   0.421   4.580  -2.171
  373   3HG2  ILE  48          3HG2      ILE  48   0.408   4.471  -0.416
  374   1HD1  ILE  48          1HD1      ILE  48   1.490   0.758  -0.178
  375   2HD1  ILE  48          2HD1      ILE  48   3.002   0.538  -1.057
  376   3HD1  ILE  48          3HD1      ILE  48   1.544  -0.307  -1.582
  377    HA   PRO  49           HA       PRO  49   6.626   2.713  -0.804
  378   1HB   PRO  49          2HB       PRO  49   6.778   2.911   1.851
  379   2HB   PRO  49          1HB       PRO  49   6.758   4.340   0.811
  380   1HG   PRO  49          2HG       PRO  49   4.673   3.298   2.601
  381   2HG   PRO  49          1HG       PRO  49   4.882   4.931   1.961
  382   1HD   PRO  49          2HD       PRO  49   3.167   2.801   0.996
  383   2HD   PRO  49          1HD       PRO  49   3.246   4.486   0.455
  384    H    SER  50           H        SER  50   7.664   0.945  -0.292
  385    HA   SER  50           HA       SER  50   6.219  -1.500   0.294
  386   1HB   SER  50          2HB       SER  50   9.128  -0.854  -0.223
  387   2HB   SER  50          1HB       SER  50   8.561  -2.481   0.150
  388    HG   SER  50           HG       SER  50   7.014  -1.656  -1.778
  389    H    ASN  51           H        ASN  51   8.399   0.661   1.939
  390    HA   ASN  51           HA       ASN  51   8.915  -0.950   4.196
  391   1HB   ASN  51          2HB       ASN  51   9.826   1.137   5.168
  392   2HB   ASN  51          1HB       ASN  51  10.429   0.787   3.552
  393   1HD2  ASN  51          1HD2      ASN  51   9.368   3.170   5.487
  394   2HD2  ASN  51          2HD2      ASN  51   8.809   4.298   4.306
  395    H    TYR  52           H        TYR  52   6.151   1.056   3.475
  396    HA   TYR  52           HA       TYR  52   5.482   1.211   6.319
  397   1HB   TYR  52          2HB       TYR  52   4.488   3.128   5.878
  398   2HB   TYR  52          1HB       TYR  52   5.043   2.990   4.225
  399    HD1  TYR  52           HD1      TYR  52   2.233   3.269   6.362
  400    HD2  TYR  52           HD2      TYR  52   3.447   1.770   2.576
  401    HE1  TYR  52           HE1      TYR  52  -0.080   3.382   5.590
  402    HE2  TYR  52           HE2      TYR  52   1.116   1.877   1.799
  403    HH   TYR  52           HH       TYR  52  -1.092   2.001   2.646
  404    H    ILE  53           H        ILE  53   5.085  -0.935   3.862
  405    HA   ILE  53           HA       ILE  53   2.841  -2.206   5.230
  406    HB   ILE  53           HB       ILE  53   1.455  -2.058   3.478
  407   1HG1  ILE  53          2HG1      ILE  53   2.553  -4.182   2.709
  408   2HG1  ILE  53          1HG1      ILE  53   1.786  -3.244   1.441
  409   1HG2  ILE  53          1HG2      ILE  53   3.124  -0.989   1.369
  410   2HG2  ILE  53          2HG2      ILE  53   3.331  -0.124   2.883
  411   3HG2  ILE  53          3HG2      ILE  53   1.728  -0.284   2.176
  412   1HD1  ILE  53          1HD1      ILE  53   4.371  -2.309   1.423
  413   2HD1  ILE  53          2HD1      ILE  53   3.674  -3.488   0.316
  414   3HD1  ILE  53          3HD1      ILE  53   4.556  -4.033   1.744
  415    H    GLU  54           H        GLU  54   2.704  -4.507   4.776
  416    HA   GLU  54           HA       GLU  54   5.132  -5.813   3.787
  417   1HB   GLU  54          2HB       GLU  54   5.118  -7.306   5.777
  418   2HB   GLU  54          1HB       GLU  54   5.488  -5.637   6.179
  419   1HG   GLU  54          2HG       GLU  54   2.663  -6.559   6.386
  420   2HG   GLU  54          1HG       GLU  54   3.817  -7.049   7.624
  421    H    MET  55           H        MET  55   4.708  -7.820   2.822
  422    HA   MET  55           HA       MET  55   2.001  -8.346   2.176
  423   1HB   MET  55          2HB       MET  55   3.039 -10.527   1.204
  424   2HB   MET  55          1HB       MET  55   3.413  -8.980   0.468
  425   1HG   MET  55          2HG       MET  55   5.579  -9.000   1.184
  426   2HG   MET  55          1HG       MET  55   5.218  -9.999   2.593
  427   1HE   MET  55          1HE       MET  55   6.821 -12.723   2.097
  428   2HE   MET  55          2HE       MET  55   5.218 -13.382   1.773
  429   3HE   MET  55          3HE       MET  55   5.410 -12.042   2.903
  430    H    LYS  56           H        LYS  56   0.531  -9.623   3.170
  431    HA   LYS  56           HA       LYS  56   1.271 -11.126   5.574
  432   1HB   LYS  56          2HB       LYS  56  -1.142 -11.376   5.860
  433   2HB   LYS  56          1HB       LYS  56  -0.734  -9.691   5.598
  434   1HG   LYS  56          2HG       LYS  56  -1.642  -9.666   3.466
  435   2HG   LYS  56          1HG       LYS  56  -1.592 -11.418   3.321
  436   1HD   LYS  56          2HD       LYS  56  -3.369 -11.650   4.943
  437   2HD   LYS  56          1HD       LYS  56  -3.373  -9.909   5.233
  438   1HE   LYS  56          2HE       LYS  56  -3.689 -10.255   2.456
  439   2HE   LYS  56          1HE       LYS  56  -4.757 -11.427   3.229
  440   1HZ   LYS  56          1HZ       LYS  56  -4.786  -8.489   3.424
  441   2HZ   LYS  56          2HZ       LYS  56  -5.439  -9.423   4.672
  442   3HZ   LYS  56          3HZ       LYS  56  -6.065  -9.552   3.106
  443    H    ASN  57           H        ASN  57  -0.882 -13.100   5.187
  444    HA   ASN  57           HA       ASN  57  -1.252 -15.145   4.270
  445   1HB   ASN  57          2HB       ASN  57   0.411 -13.981   2.038
  446   2HB   ASN  57          1HB       ASN  57  -0.165 -15.640   1.993
  447   1HD2  ASN  57          1HD2      ASN  57  -1.045 -12.293   1.826
  448   2HD2  ASN  57          2HD2      ASN  57  -2.668 -12.531   1.290
  449    H    HIS  58           H        HIS  58   1.681 -15.676   2.611
  450    HA   HIS  58           HA       HIS  58   3.744 -16.590   3.305
  451   1HB   HIS  58          2HB       HIS  58   2.792 -15.961   5.840
  452   2HB   HIS  58          1HB       HIS  58   2.893 -17.721   5.865
  453    HD1  HIS  58           HD1      HIS  58   4.839 -15.007   6.808
  454    HD2  HIS  58           HD2      HIS  58   5.653 -18.370   4.511
  455    HE1  HIS  58           HE1      HIS  58   7.342 -15.267   6.860
  456    HE2  HIS  58           HE2      HIS  58   7.800 -17.373   5.559
  457    H    ASP  59           H        ASP  59   0.962 -18.260   4.821
  458    HA   ASP  59           HA       ASP  59   1.421 -20.496   2.967
  459   1HB   ASP  59          2HB       ASP  59   1.053 -20.682   5.960
  460   2HB   ASP  59          1HB       ASP  59   0.933 -22.062   4.872
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1  -6.508  -9.016  -4.164
    2   2H    MET   1          2H        MET   1  -5.399  -9.707  -5.270
    3   3H    MET   1          3H        MET   1  -5.191  -8.089  -4.745
    4    HA   MET   1           HA       MET   1  -5.126 -10.431  -2.978
    5   1HB   MET   1          2HB       MET   1  -2.935  -8.960  -4.452
    6   2HB   MET   1          1HB       MET   1  -2.612  -9.955  -3.042
    7   1HG   MET   1          2HG       MET   1  -2.218 -11.496  -4.649
    8   2HG   MET   1          1HG       MET   1  -3.952 -11.749  -4.464
    9   1HE   MET   1          1HE       MET   1  -1.212 -10.474  -7.365
   10   2HE   MET   1          2HE       MET   1  -2.118 -11.733  -8.201
   11   3HE   MET   1          3HE       MET   1  -1.478 -12.033  -6.585
   12    H    GLU   2           H        GLU   2  -3.580  -9.695  -1.046
   13    HA   GLU   2           HA       GLU   2  -4.298  -6.934  -0.329
   14   1HB   GLU   2          2HB       GLU   2  -4.820  -9.376   1.340
   15   2HB   GLU   2          1HB       GLU   2  -4.812  -7.746   1.997
   16   1HG   GLU   2          2HG       GLU   2  -6.929  -7.543   1.435
   17   2HG   GLU   2          1HG       GLU   2  -6.476  -7.677  -0.263
   18    H    ALA   3           H        ALA   3  -2.987  -5.854   1.011
   19    HA   ALA   3           HA       ALA   3  -0.599  -7.108   2.178
   20   1HB   ALA   3          1HB       ALA   3   0.769  -5.192   1.335
   21   2HB   ALA   3          2HB       ALA   3  -0.581  -4.763   0.283
   22   3HB   ALA   3          3HB       ALA   3   0.235  -6.314   0.084
   23    H    ILE   4           H        ILE   4   0.079  -6.008   4.131
   24    HA   ILE   4           HA       ILE   4  -1.867  -3.964   5.011
   25    HB   ILE   4           HB       ILE   4  -1.755  -5.961   6.425
   26   1HG1  ILE   4          2HG1      ILE   4  -0.890  -4.629   8.580
   27   2HG1  ILE   4          1HG1      ILE   4  -0.980  -3.283   7.459
   28   1HG2  ILE   4          1HG2      ILE   4   0.128  -6.828   7.361
   29   2HG2  ILE   4          2HG2      ILE   4   0.960  -5.274   7.403
   30   3HG2  ILE   4          3HG2      ILE   4   0.823  -6.161   5.886
   31   1HD1  ILE   4          1HD1      ILE   4  -3.108  -4.777   8.765
   32   2HD1  ILE   4          2HD1      ILE   4  -3.372  -4.505   7.043
   33   3HD1  ILE   4          3HD1      ILE   4  -3.098  -3.135   8.122
   34    H    ALA   5           H        ALA   5  -1.105  -2.064   6.178
   35    HA   ALA   5           HA       ALA   5   1.753  -1.536   6.026
   36   1HB   ALA   5          1HB       ALA   5   0.116  -0.626   4.012
   37   2HB   ALA   5          2HB       ALA   5   1.690   0.059   4.434
   38   3HB   ALA   5          3HB       ALA   5   0.219   0.771   5.081
   39    H    LYS   6           H        LYS   6   2.071  -1.056   8.282
   40    HA   LYS   6           HA       LYS   6   0.035   0.775   9.410
   41   1HB   LYS   6          2HB       LYS   6   1.276   0.119  11.608
   42   2HB   LYS   6          1HB       LYS   6   0.166  -1.022  10.865
   43   1HG   LYS   6          2HG       LYS   6   2.071  -2.189   9.839
   44   2HG   LYS   6          1HG       LYS   6   3.173  -1.052  10.617
   45   1HD   LYS   6          2HD       LYS   6   2.832  -1.942  12.704
   46   2HD   LYS   6          1HD       LYS   6   1.207  -2.507  12.314
   47   1HE   LYS   6          2HE       LYS   6   1.965  -4.523  11.759
   48   2HE   LYS   6          1HE       LYS   6   3.178  -3.834  10.679
   49   1HZ   LYS   6          1HZ       LYS   6   4.520  -4.825  12.200
   50   2HZ   LYS   6          2HZ       LYS   6   3.425  -4.645  13.478
   51   3HZ   LYS   6          3HZ       LYS   6   4.346  -3.323  12.963
   52    H    HIS   7           H        HIS   7   0.712   2.812   8.742
   53    HA   HIS   7           HA       HIS   7   2.454   4.063  10.440
   54   1HB   HIS   7          2HB       HIS   7   3.855   3.061   8.246
   55   2HB   HIS   7          1HB       HIS   7   3.529   4.732   7.790
   56    HD1  HIS   7           HD1      HIS   7   5.099   6.430   8.708
   57    HD2  HIS   7           HD2      HIS   7   5.213   2.881  10.865
   58    HE1  HIS   7           HE1      HIS   7   6.943   6.725  10.391
   59    HE2  HIS   7           HE2      HIS   7   6.891   4.622  11.777
   60    H    ASP   8           H        ASP   8   1.725   6.338  10.448
   61    HA   ASP   8           HA       ASP   8  -0.626   6.824   8.897
   62   1HB   ASP   8          2HB       ASP   8   0.531   8.087  11.106
   63   2HB   ASP   8          1HB       ASP   8   0.611   9.291   9.826
   64    H    PHE   9           H        PHE   9  -0.894   8.471   7.236
   65    HA   PHE   9           HA       PHE   9   1.342   9.819   6.107
   66   1HB   PHE   9          2HB       PHE   9   0.419   8.537   3.777
   67   2HB   PHE   9          1HB       PHE   9   2.010   8.408   4.507
   68    HD1  PHE   9           HD1      PHE   9  -1.392   6.897   4.670
   69    HD2  PHE   9           HD2      PHE   9   2.793   6.353   5.162
   70    HE1  PHE   9           HE1      PHE   9  -1.741   4.483   4.978
   71    HE2  PHE   9           HE2      PHE   9   2.443   3.938   5.477
   72    HZ   PHE   9           HZ       PHE   9   0.170   3.003   5.380
   73    H    SER  10           H        SER  10   0.462  11.738   5.810
   74    HA   SER  10           HA       SER  10  -2.319  11.827   4.841
   75   1HB   SER  10          2HB       SER  10  -2.227  14.293   5.339
   76   2HB   SER  10          1HB       SER  10  -2.133  13.247   6.754
   77    HG   SER  10           HG       SER  10  -0.527  15.129   6.306
   78    H    ALA  11           H        ALA  11  -2.915  13.311   3.179
   79    HA   ALA  11           HA       ALA  11  -1.186  13.095   0.940
   80   1HB   ALA  11          1HB       ALA  11  -3.176  14.878   0.213
   81   2HB   ALA  11          2HB       ALA  11  -3.927  13.861   1.443
   82   3HB   ALA  11          3HB       ALA  11  -3.201  13.127   0.013
   83    H    THR  12           H        THR  12   0.256  14.402   0.128
   84    HA   THR  12           HA       THR  12   0.386  17.207   1.038
   85    HB   THR  12           HB       THR  12   2.897  16.846   0.352
   86    HG1  THR  12           HG1      THR  12   2.578  14.730  -0.455
   87   1HG2  THR  12          1HG2      THR  12   2.582  17.353   2.583
   88   2HG2  THR  12          2HG2      THR  12   3.331  15.757   2.646
   89   3HG2  THR  12          3HG2      THR  12   1.590  15.925   2.874
   90    H    ALA  13           H        ALA  13  -0.192  15.194  -1.619
   91    HA   ALA  13           HA       ALA  13  -0.414  17.350  -3.386
   92   1HB   ALA  13          1HB       ALA  13   1.935  17.425  -3.632
   93   2HB   ALA  13          2HB       ALA  13   1.283  16.674  -5.088
   94   3HB   ALA  13          3HB       ALA  13   2.039  15.679  -3.844
   95    H    ASP  14           H        ASP  14  -0.872  16.686  -5.589
   96    HA   ASP  14           HA       ASP  14  -2.780  14.530  -5.704
   97   1HB   ASP  14          2HB       ASP  14  -2.824  15.130  -8.187
   98   2HB   ASP  14          1HB       ASP  14  -3.336  16.369  -7.048
   99    H    ASP  15           H        ASP  15  -0.376  13.404  -4.988
  100    HA   ASP  15           HA       ASP  15   0.055  11.539  -7.158
  101   1HB   ASP  15          2HB       ASP  15   1.747  13.681  -7.080
  102   2HB   ASP  15          1HB       ASP  15   2.622  12.507  -6.102
  103    H    GLU  16           H        GLU  16   0.865  12.541  -3.830
  104    HA   GLU  16           HA       GLU  16   1.654   9.800  -3.203
  105   1HB   GLU  16          2HB       GLU  16   2.730  12.051  -2.346
  106   2HB   GLU  16          1HB       GLU  16   1.442  11.959  -1.152
  107   1HG   GLU  16          2HG       GLU  16   2.239   9.630  -0.641
  108   2HG   GLU  16          1HG       GLU  16   3.646   9.981  -1.643
  109    H    LEU  17           H        LEU  17   0.199   8.334  -2.607
  110    HA   LEU  17           HA       LEU  17  -2.469   9.126  -1.900
  111   1HB   LEU  17          2HB       LEU  17  -1.654   6.975  -3.153
  112   2HB   LEU  17          1HB       LEU  17  -1.342   6.352  -1.544
  113    HG   LEU  17           HG       LEU  17  -4.033   7.447  -1.787
  114   1HD1  LEU  17          1HD1      LEU  17  -4.348   5.028  -3.109
  115   2HD1  LEU  17          2HD1      LEU  17  -3.059   5.848  -3.956
  116   3HD1  LEU  17          3HD1      LEU  17  -4.620   6.635  -3.767
  117   1HD2  LEU  17          1HD2      LEU  17  -2.620   5.374  -0.434
  118   2HD2  LEU  17          2HD2      LEU  17  -4.021   4.680  -1.238
  119   3HD2  LEU  17          3HD2      LEU  17  -4.224   6.015  -0.104
  120    H    SER  18           H        SER  18  -3.131   9.596   0.100
  121    HA   SER  18           HA       SER  18  -1.426   8.948   2.375
  122   1HB   SER  18          2HB       SER  18  -2.988  10.458   3.626
  123   2HB   SER  18          1HB       SER  18  -2.222  11.234   2.243
  124    HG   SER  18           HG       SER  18  -4.625  10.001   1.697
  125    H    PHE  19           H        PHE  19  -2.560   8.339   4.414
  126    HA   PHE  19           HA       PHE  19  -4.990   6.996   4.461
  127   1HB   PHE  19          2HB       PHE  19  -2.910   5.417   3.268
  128   2HB   PHE  19          1HB       PHE  19  -3.403   4.680   4.791
  129    HD1  PHE  19           HD1      PHE  19  -6.136   4.979   5.078
  130    HD2  PHE  19           HD2      PHE  19  -3.964   4.468   1.458
  131    HE1  PHE  19           HE1      PHE  19  -8.149   4.064   4.011
  132    HE2  PHE  19           HE2      PHE  19  -5.975   3.544   0.386
  133    HZ   PHE  19           HZ       PHE  19  -8.073   3.347   1.657
  134    H    ARG  20           H        ARG  20  -4.759   5.037   6.237
  135    HA   ARG  20           HA       ARG  20  -3.568   6.329   8.598
  136   1HB   ARG  20          2HB       ARG  20  -5.946   4.460   8.483
  137   2HB   ARG  20          1HB       ARG  20  -5.332   5.276   9.914
  138   1HG   ARG  20          2HG       ARG  20  -6.002   7.407   9.074
  139   2HG   ARG  20          1HG       ARG  20  -6.411   6.716   7.502
  140   1HD   ARG  20          2HD       ARG  20  -7.779   5.449   9.762
  141   2HD   ARG  20          1HD       ARG  20  -8.172   7.153   9.549
  142    HE   ARG  20           HE       ARG  20  -8.771   4.974   7.710
  143   1HH1  ARG  20          1HH1      ARG  20  -8.760   8.413   8.325
  144   2HH1  ARG  20          2HH1      ARG  20  -9.929   8.761   7.096
  145   1HH2  ARG  20          1HH2      ARG  20 -10.319   5.434   6.103
  146   2HH2  ARG  20          2HH2      ARG  20 -10.821   7.071   5.845
  147    H    LYS  21           H        LYS  21  -2.676   4.920  10.235
  148    HA   LYS  21           HA       LYS  21  -1.081   2.820   9.284
  149   1HB   LYS  21          2HB       LYS  21  -0.617   2.329  11.627
  150   2HB   LYS  21          1HB       LYS  21  -0.632   4.070  11.387
  151   1HG   LYS  21          2HG       LYS  21  -3.052   2.597  12.376
  152   2HG   LYS  21          1HG       LYS  21  -1.779   3.134  13.468
  153   1HD   LYS  21          2HD       LYS  21  -2.203   5.418  12.113
  154   2HD   LYS  21          1HD       LYS  21  -3.811   4.699  11.999
  155   1HE   LYS  21          2HE       LYS  21  -2.491   4.665  14.653
  156   2HE   LYS  21          1HE       LYS  21  -3.059   6.224  14.055
  157   1HZ   LYS  21          1HZ       LYS  21  -4.780   5.199  15.339
  158   2HZ   LYS  21          2HZ       LYS  21  -4.687   3.771  14.441
  159   3HZ   LYS  21          3HZ       LYS  21  -5.259   5.189  13.717
  160    H    THR  22           H        THR  22  -1.384   0.614   9.214
  161    HA   THR  22           HA       THR  22  -2.313  -1.429   9.436
  162    HB   THR  22           HB       THR  22  -4.572  -0.313  11.054
  163    HG1  THR  22           HG1      THR  22  -2.783   0.571  12.012
  164   1HG2  THR  22          1HG2      THR  22  -3.344  -2.641  12.135
  165   2HG2  THR  22          2HG2      THR  22  -3.705  -2.923  10.432
  166   3HG2  THR  22          3HG2      THR  22  -4.989  -2.428  11.533
  167    H    GLN  23           H        GLN  23  -3.621   0.878   7.519
  168    HA   GLN  23           HA       GLN  23  -6.134  -0.491   7.154
  169   1HB   GLN  23          2HB       GLN  23  -6.879   1.123   5.768
  170   2HB   GLN  23          1HB       GLN  23  -5.662   2.036   6.642
  171   1HG   GLN  23          2HG       GLN  23  -5.297   0.785   3.926
  172   2HG   GLN  23          1HG       GLN  23  -5.627   2.480   4.246
  173   1HE2  GLN  23          1HE2      GLN  23  -3.598   2.542   2.899
  174   2HE2  GLN  23          2HE2      GLN  23  -2.100   2.557   3.759
  175    H    ILE  24           H        ILE  24  -6.884  -1.525   5.261
  176    HA   ILE  24           HA       ILE  24  -4.839  -3.301   4.211
  177    HB   ILE  24           HB       ILE  24  -7.027  -4.107   5.176
  178   1HG1  ILE  24          2HG1      ILE  24  -5.486  -5.463   3.758
  179   2HG1  ILE  24          1HG1      ILE  24  -7.168  -5.974   3.679
  180   1HG2  ILE  24          1HG2      ILE  24  -8.075  -2.651   2.831
  181   2HG2  ILE  24          2HG2      ILE  24  -8.810  -2.967   4.398
  182   3HG2  ILE  24          3HG2      ILE  24  -8.786  -4.226   3.164
  183   1HD1  ILE  24          1HD1      ILE  24  -7.001  -4.213   1.600
  184   2HD1  ILE  24          2HD1      ILE  24  -6.861  -5.960   1.477
  185   3HD1  ILE  24          3HD1      ILE  24  -5.410  -4.970   1.587
  186    H    LEU  25           H        LEU  25  -3.950  -3.141   2.241
  187    HA   LEU  25           HA       LEU  25  -5.336  -1.445   0.274
  188   1HB   LEU  25          2HB       LEU  25  -2.424  -1.836   0.831
  189   2HB   LEU  25          1HB       LEU  25  -2.968  -1.242  -0.724
  190    HG   LEU  25           HG       LEU  25  -4.026   0.194   1.631
  191   1HD1  LEU  25          1HD1      LEU  25  -2.040   0.441   2.615
  192   2HD1  LEU  25          2HD1      LEU  25  -1.602   1.443   1.231
  193   3HD1  LEU  25          3HD1      LEU  25  -1.192  -0.269   1.249
  194   1HD2  LEU  25          1HD2      LEU  25  -4.428   1.708   0.055
  195   2HD2  LEU  25          2HD2      LEU  25  -3.786   0.580  -1.139
  196   3HD2  LEU  25          3HD2      LEU  25  -2.722   1.765  -0.387
  197    H    LYS  26           H        LYS  26  -5.507  -2.007  -1.824
  198    HA   LYS  26           HA       LYS  26  -5.299  -4.817  -2.563
  199   1HB   LYS  26          2HB       LYS  26  -6.604  -2.355  -3.580
  200   2HB   LYS  26          1HB       LYS  26  -6.098  -3.509  -4.806
  201   1HG   LYS  26          2HG       LYS  26  -7.352  -5.204  -3.203
  202   2HG   LYS  26          1HG       LYS  26  -8.209  -3.736  -2.736
  203   1HD   LYS  26          2HD       LYS  26  -9.134  -3.446  -4.834
  204   2HD   LYS  26          1HD       LYS  26  -7.855  -4.357  -5.637
  205   1HE   LYS  26          2HE       LYS  26  -9.283  -6.069  -5.700
  206   2HE   LYS  26          1HE       LYS  26  -9.038  -6.215  -3.959
  207   1HZ   LYS  26          1HZ       LYS  26 -11.231  -5.906  -3.846
  208   2HZ   LYS  26          2HZ       LYS  26 -11.340  -5.292  -5.419
  209   3HZ   LYS  26          3HZ       LYS  26 -10.907  -4.272  -4.141
  210    H    ILE  27           H        ILE  27  -3.652  -5.625  -3.912
  211    HA   ILE  27           HA       ILE  27  -1.714  -3.633  -4.897
  212    HB   ILE  27           HB       ILE  27  -0.056  -5.530  -4.890
  213   1HG1  ILE  27          2HG1      ILE  27  -2.118  -6.872  -3.129
  214   2HG1  ILE  27          1HG1      ILE  27  -1.828  -7.319  -4.806
  215   1HG2  ILE  27          1HG2      ILE  27   0.638  -4.638  -2.980
  216   2HG2  ILE  27          2HG2      ILE  27  -0.667  -5.411  -2.082
  217   3HG2  ILE  27          3HG2      ILE  27  -0.928  -3.839  -2.839
  218   1HD1  ILE  27          1HD1      ILE  27   0.684  -7.403  -3.667
  219   2HD1  ILE  27          2HD1      ILE  27  -0.362  -8.780  -4.014
  220   3HD1  ILE  27          3HD1      ILE  27  -0.376  -8.045  -2.412
  221    H    LEU  28           H        LEU  28  -1.093  -3.593  -7.060
  222    HA   LEU  28           HA       LEU  28  -2.805  -5.047  -8.834
  223   1HB   LEU  28          2HB       LEU  28  -1.141  -2.722  -8.925
  224   2HB   LEU  28          1HB       LEU  28  -0.769  -3.745 -10.297
  225    HG   LEU  28           HG       LEU  28  -2.436  -2.157 -10.953
  226   1HD1  LEU  28          1HD1      LEU  28  -3.519  -3.663 -12.172
  227   2HD1  LEU  28          2HD1      LEU  28  -4.329  -4.333 -10.756
  228   3HD1  LEU  28          3HD1      LEU  28  -2.721  -4.904 -11.206
  229   1HD2  LEU  28          1HD2      LEU  28  -4.517  -3.147  -9.114
  230   2HD2  LEU  28          2HD2      LEU  28  -4.225  -1.522  -9.737
  231   3HD2  LEU  28          3HD2      LEU  28  -3.260  -2.139  -8.397
  232    H    ASN  29           H        ASN  29   0.689  -5.189  -8.167
  233    HA   ASN  29           HA       ASN  29   0.874  -7.869  -9.287
  234   1HB   ASN  29          2HB       ASN  29   2.859  -7.135 -10.689
  235   2HB   ASN  29          1HB       ASN  29   1.301  -6.581 -11.289
  236   1HD2  ASN  29          1HD2      ASN  29   3.057  -5.205  -8.560
  237   2HD2  ASN  29          2HD2      ASN  29   3.359  -3.679  -9.296
  238    H    MET  30           H        MET  30   3.427  -8.488  -9.082
  239    HA   MET  30           HA       MET  30   3.823  -8.293  -6.265
  240   1HB   MET  30          2HB       MET  30   4.794  -9.853  -8.466
  241   2HB   MET  30          1HB       MET  30   6.183  -9.206  -7.603
  242   1HG   MET  30          2HG       MET  30   5.620 -10.299  -5.631
  243   2HG   MET  30          1HG       MET  30   3.956 -10.569  -6.148
  244   1HE   MET  30          1HE       MET  30   6.437 -13.833  -5.698
  245   2HE   MET  30          2HE       MET  30   6.151 -12.330  -4.819
  246   3HE   MET  30          3HE       MET  30   7.509 -12.453  -5.936
  247    H    GLU  31           H        GLU  31   4.241  -6.385  -5.574
  248    HA   GLU  31           HA       GLU  31   6.543  -4.825  -6.554
  249   1HB   GLU  31          2HB       GLU  31   3.933  -4.114  -6.543
  250   2HB   GLU  31          1HB       GLU  31   4.329  -3.692  -4.880
  251   1HG   GLU  31          2HG       GLU  31   4.967  -1.743  -5.709
  252   2HG   GLU  31          1HG       GLU  31   6.395  -2.570  -6.283
  253    H    ASP  32           H        ASP  32   7.450  -6.676  -5.046
  254    HA   ASP  32           HA       ASP  32   7.106  -6.510  -2.231
  255   1HB   ASP  32          2HB       ASP  32   8.305  -8.237  -3.912
  256   2HB   ASP  32          1HB       ASP  32   9.722  -7.338  -3.382
  257    H    ASP  33           H        ASP  33   9.730  -5.400  -4.361
  258    HA   ASP  33           HA       ASP  33  10.771  -3.714  -2.244
  259   1HB   ASP  33          2HB       ASP  33  11.800  -5.281  -4.499
  260   2HB   ASP  33          1HB       ASP  33  12.596  -3.725  -4.333
  261    H    SER  34           H        SER  34  12.301  -2.280  -4.266
  262    HA   SER  34           HA       SER  34  12.401  -0.413  -5.496
  263   1HB   SER  34          2HB       SER  34   9.405  -0.306  -5.773
  264   2HB   SER  34          1HB       SER  34  10.619   0.555  -6.716
  265    HG   SER  34           HG       SER  34  10.783  -2.223  -6.697
  266    H    ASN  35           H        ASN  35   9.947  -0.661  -3.027
  267    HA   ASN  35           HA       ASN  35   9.920   0.584  -1.003
  268   1HB   ASN  35          2HB       ASN  35  11.994   1.955  -2.228
  269   2HB   ASN  35          1HB       ASN  35  10.722   3.167  -2.124
  270   1HD2  ASN  35          1HD2      ASN  35  12.728   0.953  -0.303
  271   2HD2  ASN  35          2HD2      ASN  35  12.550   1.742   1.222
  272    H    TRP  36           H        TRP  36   8.793   1.347  -4.156
  273    HA   TRP  36           HA       TRP  36   6.471   2.701  -2.976
  274   1HB   TRP  36          2HB       TRP  36   6.418   4.143  -5.075
  275   2HB   TRP  36          1HB       TRP  36   7.690   4.511  -3.914
  276    HD1  TRP  36           HD1      TRP  36  10.138   3.105  -4.580
  277    HE1  TRP  36           HE1      TRP  36  11.245   3.023  -6.903
  278    HE3  TRP  36           HE3      TRP  36   6.087   4.323  -7.457
  279    HZ2  TRP  36           HZ2      TRP  36  10.501   3.425  -9.598
  280    HZ3  TRP  36           HZ3      TRP  36   6.371   4.454  -9.898
  281    HH2  TRP  36           HH2      TRP  36   8.532   4.015 -10.944
  282    H    TYR  37           H        TYR  37   4.920   1.231  -3.238
  283    HA   TYR  37           HA       TYR  37   4.763  -0.254  -5.750
  284   1HB   TYR  37          2HB       TYR  37   3.640  -1.992  -4.608
  285   2HB   TYR  37          1HB       TYR  37   4.959  -1.500  -3.559
  286    HD1  TYR  37           HD1      TYR  37   1.343  -1.650  -3.996
  287    HD2  TYR  37           HD2      TYR  37   4.501  -0.370  -1.455
  288    HE1  TYR  37           HE1      TYR  37  -0.236  -1.435  -2.128
  289    HE2  TYR  37           HE2      TYR  37   2.907  -0.134   0.401
  290    HH   TYR  37           HH       TYR  37   0.369   0.264   0.605
  291    H    ARG  38           H        ARG  38   2.708  -0.709  -6.727
  292    HA   ARG  38           HA       ARG  38   0.939   1.617  -6.531
  293   1HB   ARG  38          2HB       ARG  38   1.265  -0.497  -8.686
  294   2HB   ARG  38          1HB       ARG  38   0.018   0.742  -8.733
  295   1HG   ARG  38          2HG       ARG  38   1.594   2.469  -9.008
  296   2HG   ARG  38          1HG       ARG  38   2.939   1.418  -8.557
  297   1HD   ARG  38          2HD       ARG  38   2.155   0.026 -10.631
  298   2HD   ARG  38          1HD       ARG  38   1.392   1.540 -11.111
  299    HE   ARG  38           HE       ARG  38   3.444   2.240 -11.779
  300   1HH1  ARG  38          1HH1      ARG  38   3.917  -0.073  -9.201
  301   2HH1  ARG  38          2HH1      ARG  38   5.644  -0.028  -9.317
  302   1HH2  ARG  38          1HH2      ARG  38   5.710   2.270 -11.946
  303   2HH2  ARG  38          2HH2      ARG  38   6.660   1.289 -10.880
  304    H    ALA  39           H        ALA  39  -0.648   1.343  -5.146
  305    HA   ALA  39           HA       ALA  39  -1.996  -1.266  -4.938
  306   1HB   ALA  39          1HB       ALA  39  -2.639  -0.504  -2.636
  307   2HB   ALA  39          2HB       ALA  39  -1.589   0.894  -2.872
  308   3HB   ALA  39          3HB       ALA  39  -0.917  -0.725  -2.882
  309    H    GLU  40           H        GLU  40  -4.273  -1.028  -4.014
  310    HA   GLU  40           HA       GLU  40  -5.633   1.188  -5.400
  311   1HB   GLU  40          2HB       GLU  40  -6.453  -1.710  -5.316
  312   2HB   GLU  40          1HB       GLU  40  -7.473  -0.422  -5.923
  313   1HG   GLU  40          2HG       GLU  40  -5.330   0.034  -7.417
  314   2HG   GLU  40          1HG       GLU  40  -5.077  -1.684  -7.112
  315    H    LEU  41           H        LEU  41  -7.536   1.978  -4.489
  316    HA   LEU  41           HA       LEU  41  -8.587   0.833  -2.077
  317   1HB   LEU  41          2HB       LEU  41  -8.223   3.098  -0.851
  318   2HB   LEU  41          1HB       LEU  41  -6.957   1.892  -0.861
  319    HG   LEU  41           HG       LEU  41  -6.190   4.252  -1.172
  320   1HD1  LEU  41          1HD1      LEU  41  -5.555   2.196  -3.256
  321   2HD1  LEU  41          2HD1      LEU  41  -4.692   2.541  -1.769
  322   3HD1  LEU  41          3HD1      LEU  41  -4.674   3.698  -3.089
  323   1HD2  LEU  41          1HD2      LEU  41  -8.206   4.638  -2.822
  324   2HD2  LEU  41          2HD2      LEU  41  -7.005   4.144  -4.010
  325   3HD2  LEU  41          3HD2      LEU  41  -6.694   5.529  -2.971
  326    H    ASP  42           H        ASP  42 -10.656   1.265  -1.876
  327    HA   ASP  42           HA       ASP  42 -12.743   1.959  -2.384
  328   1HB   ASP  42          2HB       ASP  42 -11.173   4.279  -1.772
  329   2HB   ASP  42          1HB       ASP  42 -12.408   4.700  -2.955
  330    H    GLY  43           H        GLY  43 -11.232   4.398  -4.478
  331   1HA   GLY  43          2HA       GLY  43 -12.061   2.904  -6.853
  332   2HA   GLY  43          1HA       GLY  43 -12.843   4.451  -6.571
  333    H    LYS  44           H        LYS  44  -9.543   4.171  -5.564
  334    HA   LYS  44           HA       LYS  44  -8.648   5.544  -8.013
  335   1HB   LYS  44          2HB       LYS  44  -8.556   6.402  -5.160
  336   2HB   LYS  44          1HB       LYS  44  -7.179   6.802  -6.179
  337   1HG   LYS  44          2HG       LYS  44  -9.116   7.647  -7.793
  338   2HG   LYS  44          1HG       LYS  44  -9.962   7.816  -6.254
  339   1HD   LYS  44          2HD       LYS  44  -8.936   9.896  -6.605
  340   2HD   LYS  44          1HD       LYS  44  -7.891   9.074  -5.448
  341   1HE   LYS  44          2HE       LYS  44  -6.221   8.733  -7.003
  342   2HE   LYS  44          1HE       LYS  44  -7.329   8.835  -8.371
  343   1HZ   LYS  44          1HZ       LYS  44  -6.967  11.005  -8.543
  344   2HZ   LYS  44          2HZ       LYS  44  -5.712  10.837  -7.422
  345   3HZ   LYS  44          3HZ       LYS  44  -7.260  11.271  -6.899
  346    H    GLU  45           H        GLU  45  -6.583   5.087  -8.669
  347    HA   GLU  45           HA       GLU  45  -5.141   2.969  -7.230
  348   1HB   GLU  45          2HB       GLU  45  -5.633   3.425  -9.963
  349   2HB   GLU  45          1HB       GLU  45  -3.938   3.824  -9.739
  350   1HG   GLU  45          2HG       GLU  45  -3.864   1.528  -8.491
  351   2HG   GLU  45          1HG       GLU  45  -5.329   1.211  -9.419
  352    H    GLY  46           H        GLY  46  -3.436   3.597  -5.926
  353   1HA   GLY  46          2HA       GLY  46  -2.054   6.088  -6.703
  354   2HA   GLY  46          1HA       GLY  46  -2.633   5.881  -5.078
  355    H    LEU  47           H        LEU  47  -0.066   6.549  -5.474
  356    HA   LEU  47           HA       LEU  47   1.460   4.069  -5.249
  357   1HB   LEU  47          2HB       LEU  47   3.363   5.979  -5.018
  358   2HB   LEU  47          1HB       LEU  47   2.852   5.265  -6.532
  359    HG   LEU  47           HG       LEU  47   1.587   7.780  -5.483
  360   1HD1  LEU  47          1HD1      LEU  47   3.296   8.608  -7.444
  361   2HD1  LEU  47          2HD1      LEU  47   4.268   7.402  -6.601
  362   3HD1  LEU  47          3HD1      LEU  47   3.591   8.765  -5.713
  363   1HD2  LEU  47          1HD2      LEU  47   0.509   6.429  -7.308
  364   2HD2  LEU  47          2HD2      LEU  47   1.926   6.764  -8.297
  365   3HD2  LEU  47          3HD2      LEU  47   0.903   8.090  -7.742
  366    H    ILE  48           H        ILE  48   2.672   3.571  -3.412
  367    HA   ILE  48           HA       ILE  48   2.635   5.322  -1.111
  368    HB   ILE  48           HB       ILE  48   0.458   3.710  -1.439
  369   1HG1  ILE  48          2HG1      ILE  48   1.281   4.287   1.362
  370   2HG1  ILE  48          1HG1      ILE  48   1.119   5.632   0.243
  371   1HG2  ILE  48          1HG2      ILE  48   0.448   1.870   0.005
  372   2HG2  ILE  48          2HG2      ILE  48   2.051   2.235   0.625
  373   3HG2  ILE  48          3HG2      ILE  48   1.855   1.688  -1.034
  374   1HD1  ILE  48          1HD1      ILE  48  -1.097   5.533   0.305
  375   2HD1  ILE  48          2HD1      ILE  48  -0.863   4.570   1.760
  376   3HD1  ILE  48          3HD1      ILE  48  -1.127   3.774   0.209
  377    HA   PRO  49           HA       PRO  49   6.181   2.837  -0.040
  378   1HB   PRO  49          2HB       PRO  49   6.225   2.610   2.590
  379   2HB   PRO  49          1HB       PRO  49   6.240   4.195   1.806
  380   1HG   PRO  49          2HG       PRO  49   4.003   2.778   3.169
  381   2HG   PRO  49          1HG       PRO  49   4.377   4.508   3.131
  382   1HD   PRO  49          2HD       PRO  49   2.511   3.156   1.556
  383   2HD   PRO  49          1HD       PRO  49   3.092   4.809   1.306
  384    H    SER  50           H        SER  50   6.927   0.911  -0.233
  385    HA   SER  50           HA       SER  50   5.303  -1.416   0.334
  386   1HB   SER  50          2HB       SER  50   8.174  -1.392  -0.605
  387   2HB   SER  50          1HB       SER  50   6.970  -2.659  -0.834
  388    HG   SER  50           HG       SER  50   7.374  -1.290  -2.701
  389    H    ASN  51           H        ASN  51   8.083   0.238   1.594
  390    HA   ASN  51           HA       ASN  51   8.882  -1.757   3.430
  391   1HB   ASN  51          2HB       ASN  51   9.957   0.584   2.510
  392   2HB   ASN  51          1HB       ASN  51   9.525   1.011   4.163
  393   1HD2  ASN  51          1HD2      ASN  51  12.136   0.542   2.775
  394   2HD2  ASN  51          2HD2      ASN  51  12.960  -0.597   3.778
  395    H    TYR  52           H        TYR  52   6.234   0.366   3.465
  396    HA   TYR  52           HA       TYR  52   6.035   0.301   6.388
  397   1HB   TYR  52          2HB       TYR  52   4.648   1.929   4.286
  398   2HB   TYR  52          1HB       TYR  52   3.984   1.798   5.911
  399    HD1  TYR  52           HD1      TYR  52   5.892   2.150   7.801
  400    HD2  TYR  52           HD2      TYR  52   5.971   3.804   3.902
  401    HE1  TYR  52           HE1      TYR  52   7.420   3.914   8.571
  402    HE2  TYR  52           HE2      TYR  52   7.486   5.565   4.643
  403    HH   TYR  52           HH       TYR  52   9.291   5.466   7.162
  404    H    ILE  53           H        ILE  53   5.465  -1.660   3.985
  405    HA   ILE  53           HA       ILE  53   3.061  -2.836   5.172
  406    HB   ILE  53           HB       ILE  53   2.204  -3.467   3.033
  407   1HG1  ILE  53          2HG1      ILE  53   3.964  -2.185   1.182
  408   2HG1  ILE  53          1HG1      ILE  53   4.908  -3.289   2.173
  409   1HG2  ILE  53          1HG2      ILE  53   1.841  -1.136   3.703
  410   2HG2  ILE  53          2HG2      ILE  53   1.761  -1.377   1.970
  411   3HG2  ILE  53          3HG2      ILE  53   3.193  -0.652   2.699
  412   1HD1  ILE  53          1HD1      ILE  53   2.372  -4.137   0.834
  413   2HD1  ILE  53          2HD1      ILE  53   3.671  -5.142   1.477
  414   3HD1  ILE  53          3HD1      ILE  53   3.935  -4.189   0.016
  415    H    GLU  54           H        GLU  54   2.860  -5.084   4.792
  416    HA   GLU  54           HA       GLU  54   5.177  -6.630   3.946
  417   1HB   GLU  54          2HB       GLU  54   4.816  -6.143   6.625
  418   2HB   GLU  54          1HB       GLU  54   3.949  -7.657   6.412
  419   1HG   GLU  54          2HG       GLU  54   6.349  -7.993   5.036
  420   2HG   GLU  54          1HG       GLU  54   6.779  -7.157   6.527
  421    H    MET  55           H        MET  55   4.609  -8.681   3.167
  422    HA   MET  55           HA       MET  55   1.925  -9.019   2.308
  423   1HB   MET  55          2HB       MET  55   4.509 -10.226   1.814
  424   2HB   MET  55          1HB       MET  55   3.251 -11.447   1.908
  425   1HG   MET  55          2HG       MET  55   2.680 -10.987  -0.168
  426   2HG   MET  55          1HG       MET  55   2.225  -9.358   0.329
  427   1HE   MET  55          1HE       MET  55   4.009 -11.577  -1.580
  428   2HE   MET  55          2HE       MET  55   5.716 -11.132  -1.626
  429   3HE   MET  55          3HE       MET  55   4.597 -10.457  -2.808
  430    H    LYS  56           H        LYS  56   0.276 -10.191   3.159
  431    HA   LYS  56           HA       LYS  56   0.560 -11.545   5.726
  432   1HB   LYS  56          2HB       LYS  56  -1.503 -10.254   4.306
  433   2HB   LYS  56          1HB       LYS  56  -1.959 -11.947   4.406
  434   1HG   LYS  56          2HG       LYS  56  -2.381 -11.837   6.597
  435   2HG   LYS  56          1HG       LYS  56  -0.981 -10.809   6.920
  436   1HD   LYS  56          2HD       LYS  56  -2.523  -9.205   7.269
  437   2HD   LYS  56          1HD       LYS  56  -2.559  -9.113   5.509
  438   1HE   LYS  56          2HE       LYS  56  -4.558 -10.224   5.349
  439   2HE   LYS  56          1HE       LYS  56  -4.316 -11.102   6.858
  440   1HZ   LYS  56          1HZ       LYS  56  -4.701  -8.999   8.049
  441   2HZ   LYS  56          2HZ       LYS  56  -6.042  -9.478   7.138
  442   3HZ   LYS  56          3HZ       LYS  56  -5.042  -8.235   6.578
  443    H    ASN  57           H        ASN  57   1.159 -13.527   5.919
  444    HA   ASN  57           HA       ASN  57   0.946 -15.303   3.614
  445   1HB   ASN  57          2HB       ASN  57   2.312 -16.901   4.919
  446   2HB   ASN  57          1HB       ASN  57   3.106 -15.341   4.723
  447   1HD2  ASN  57          1HD2      ASN  57   1.206 -17.282   6.968
  448   2HD2  ASN  57          2HD2      ASN  57   1.855 -16.576   8.405
  449    H    HIS  58           H        HIS  58  -0.506 -14.591   6.631
  450    HA   HIS  58           HA       HIS  58  -2.137 -17.040   6.520
  451   1HB   HIS  58          2HB       HIS  58  -2.355 -16.764   9.009
  452   2HB   HIS  58          1HB       HIS  58  -0.700 -17.051   8.484
  453    HD1  HIS  58           HD1      HIS  58  -1.702 -13.616   7.816
  454    HD2  HIS  58           HD2      HIS  58  -0.132 -15.714  11.040
  455    HE1  HIS  58           HE1      HIS  58  -0.783 -11.870   9.366
  456    HE2  HIS  58           HE2      HIS  58   0.055 -13.155  11.364
  457    H    ASP  59           H        ASP  59  -3.466 -15.271   8.922
  458    HA   ASP  59           HA       ASP  59  -4.851 -13.211   7.605
  459   1HB   ASP  59          2HB       ASP  59  -5.730 -15.560   6.636
  460   2HB   ASP  59          1HB       ASP  59  -6.761 -15.441   8.057
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1  -5.877 -10.152  -3.654
    2   2H    MET   1          2H        MET   1  -4.961 -10.066  -5.093
    3   3H    MET   1          3H        MET   1  -5.722  -8.659  -4.476
    4    HA   MET   1           HA       MET   1  -3.640 -10.177  -3.047
    5   1HB   MET   1          2HB       MET   1  -2.581  -7.751  -3.832
    6   2HB   MET   1          1HB       MET   1  -2.146  -9.336  -4.438
    7   1HG   MET   1          2HG       MET   1  -4.411  -7.805  -5.667
    8   2HG   MET   1          1HG       MET   1  -2.748  -7.465  -6.113
    9   1HE   MET   1          1HE       MET   1  -5.453 -10.284  -7.924
   10   2HE   MET   1          2HE       MET   1  -4.830  -8.797  -8.641
   11   3HE   MET   1          3HE       MET   1  -5.643  -8.750  -7.076
   12    H    GLU   2           H        GLU   2  -3.227  -9.467  -1.052
   13    HA   GLU   2           HA       GLU   2  -4.408  -6.919  -0.185
   14   1HB   GLU   2          2HB       GLU   2  -4.961  -9.631   0.896
   15   2HB   GLU   2          1HB       GLU   2  -4.851  -8.300   2.035
   16   1HG   GLU   2          2HG       GLU   2  -6.522  -7.666  -0.254
   17   2HG   GLU   2          1HG       GLU   2  -7.085  -9.081   0.635
   18    H    ALA   3           H        ALA   3  -3.244  -5.771   1.238
   19    HA   ALA   3           HA       ALA   3  -0.843  -6.928   2.499
   20   1HB   ALA   3          1HB       ALA   3  -0.231  -4.296   1.601
   21   2HB   ALA   3          2HB       ALA   3  -0.812  -5.243   0.229
   22   3HB   ALA   3          3HB       ALA   3   0.551  -5.823   1.187
   23    H    ILE   4           H        ILE   4  -0.217  -5.855   4.447
   24    HA   ILE   4           HA       ILE   4  -2.237  -3.956   5.477
   25    HB   ILE   4           HB       ILE   4  -0.264  -5.722   6.957
   26   1HG1  ILE   4          2HG1      ILE   4  -2.408  -6.642   7.934
   27   2HG1  ILE   4          1HG1      ILE   4  -3.267  -5.728   6.695
   28   1HG2  ILE   4          1HG2      ILE   4  -2.154  -3.644   8.037
   29   2HG2  ILE   4          2HG2      ILE   4  -0.400  -3.692   8.207
   30   3HG2  ILE   4          3HG2      ILE   4  -1.399  -4.895   9.023
   31   1HD1  ILE   4          1HD1      ILE   4  -1.882  -8.254   6.512
   32   2HD1  ILE   4          2HD1      ILE   4  -1.342  -7.115   5.287
   33   3HD1  ILE   4          3HD1      ILE   4  -3.049  -7.521   5.416
   34    H    ALA   5           H        ALA   5  -1.452  -2.044   6.622
   35    HA   ALA   5           HA       ALA   5   1.366  -1.442   6.277
   36   1HB   ALA   5          1HB       ALA   5  -0.243   0.795   5.394
   37   2HB   ALA   5          2HB       ALA   5  -0.405  -0.597   4.354
   38   3HB   ALA   5          3HB       ALA   5   1.177   0.086   4.674
   39    H    LYS   6           H        LYS   6   1.845  -0.922   8.435
   40    HA   LYS   6           HA       LYS   6  -0.098   0.899   9.717
   41   1HB   LYS   6          2HB       LYS   6   2.154  -0.425  11.176
   42   2HB   LYS   6          1HB       LYS   6   0.627   0.161  11.816
   43   1HG   LYS   6          2HG       LYS   6  -0.265  -1.855  11.626
   44   2HG   LYS   6          1HG       LYS   6   0.108  -1.904   9.902
   45   1HD   LYS   6          2HD       LYS   6   1.886  -3.239  10.217
   46   2HD   LYS   6          1HD       LYS   6   2.431  -2.327  11.623
   47   1HE   LYS   6          2HE       LYS   6   1.046  -3.536  13.081
   48   2HE   LYS   6          1HE       LYS   6   0.084  -4.188  11.756
   49   1HZ   LYS   6          1HZ       LYS   6   2.187  -5.423  12.982
   50   2HZ   LYS   6          2HZ       LYS   6   2.846  -4.882  11.522
   51   3HZ   LYS   6          3HZ       LYS   6   1.482  -5.881  11.514
   52    H    HIS   7           H        HIS   7   0.460   2.903   9.023
   53    HA   HIS   7           HA       HIS   7   2.435   4.152  10.428
   54   1HB   HIS   7          2HB       HIS   7   3.681   3.173   8.291
   55   2HB   HIS   7          1HB       HIS   7   2.930   4.542   7.476
   56    HD1  HIS   7           HD1      HIS   7   4.752   4.250  10.811
   57    HD2  HIS   7           HD2      HIS   7   4.799   6.474   7.301
   58    HE1  HIS   7           HE1      HIS   7   6.530   5.997  11.145
   59    HE2  HIS   7           HE2      HIS   7   6.644   7.227   8.947
   60    H    ASP   8           H        ASP   8   1.290   6.221  10.823
   61    HA   ASP   8           HA       ASP   8  -1.037   6.627   9.227
   62   1HB   ASP   8          2HB       ASP   8   0.260   8.607  11.117
   63   2HB   ASP   8          1HB       ASP   8  -1.337   8.777  10.390
   64    H    PHE   9           H        PHE   9  -1.444   8.431   7.860
   65    HA   PHE   9           HA       PHE   9   0.701  10.080   6.919
   66   1HB   PHE   9          2HB       PHE   9   0.635   7.650   5.706
   67   2HB   PHE   9          1HB       PHE   9  -0.478   8.544   4.675
   68    HD1  PHE   9           HD1      PHE   9   2.979   8.195   5.780
   69    HD2  PHE   9           HD2      PHE   9   0.294  10.417   3.345
   70    HE1  PHE   9           HE1      PHE   9   4.886   9.185   4.589
   71    HE2  PHE   9           HE2      PHE   9   2.194  11.413   2.146
   72    HZ   PHE   9           HZ       PHE   9   4.495  10.800   2.767
   73    H    SER  10           H        SER  10  -0.259  11.871   7.014
   74    HA   SER  10           HA       SER  10  -2.788  12.246   5.610
   75   1HB   SER  10          2HB       SER  10  -3.120  12.009   8.136
   76   2HB   SER  10          1HB       SER  10  -2.303  13.566   8.280
   77    HG   SER  10           HG       SER  10  -4.445  14.034   8.137
   78    H    ALA  11           H        ALA  11  -1.517  12.936   4.034
   79    HA   ALA  11           HA       ALA  11  -1.552  15.480   3.365
   80   1HB   ALA  11          1HB       ALA  11   0.094  16.602   4.424
   81   2HB   ALA  11          2HB       ALA  11   1.250  15.646   3.498
   82   3HB   ALA  11          3HB       ALA  11   0.752  15.112   5.103
   83    H    THR  12           H        THR  12  -1.547  15.243   1.208
   84    HA   THR  12           HA       THR  12   0.220  13.181   0.061
   85    HB   THR  12           HB       THR  12  -1.786  12.093   0.718
   86    HG1  THR  12           HG1      THR  12  -1.334  11.218  -1.162
   87   1HG2  THR  12          1HG2      THR  12  -3.263  14.007   0.923
   88   2HG2  THR  12          2HG2      THR  12  -3.997  12.718  -0.031
   89   3HG2  THR  12          3HG2      THR  12  -3.333  14.143  -0.833
   90    H    ALA  13           H        ALA  13  -1.142  12.953  -2.393
   91    HA   ALA  13           HA       ALA  13  -1.504  15.441  -3.732
   92   1HB   ALA  13          1HB       ALA  13   0.543  14.327  -5.312
   93   2HB   ALA  13          2HB       ALA  13   1.200  14.495  -3.687
   94   3HB   ALA  13          3HB       ALA  13   0.523  15.897  -4.515
   95    H    ASP  14           H        ASP  14  -1.596  14.869  -6.201
   96    HA   ASP  14           HA       ASP  14  -3.346  12.592  -6.482
   97   1HB   ASP  14          2HB       ASP  14  -3.317  13.267  -8.938
   98   2HB   ASP  14          1HB       ASP  14  -3.975  14.445  -7.808
   99    H    ASP  15           H        ASP  15  -0.851  11.767  -5.588
  100    HA   ASP  15           HA       ASP  15  -0.135   9.904  -7.661
  101   1HB   ASP  15          2HB       ASP  15   2.277  10.464  -7.605
  102   2HB   ASP  15          1HB       ASP  15   1.294  11.760  -8.280
  103    H    GLU  16           H        GLU  16   0.798  11.200  -4.447
  104    HA   GLU  16           HA       GLU  16   1.599   8.520  -3.625
  105   1HB   GLU  16          2HB       GLU  16   2.137  11.288  -2.771
  106   2HB   GLU  16          1HB       GLU  16   1.923  10.150  -1.445
  107   1HG   GLU  16          2HG       GLU  16   3.603   8.816  -3.177
  108   2HG   GLU  16          1HG       GLU  16   4.145  10.492  -3.276
  109    H    LEU  17           H        LEU  17   0.093   7.233  -2.777
  110    HA   LEU  17           HA       LEU  17  -2.468   8.222  -1.967
  111   1HB   LEU  17          2HB       LEU  17  -1.275   5.731  -2.660
  112   2HB   LEU  17          1HB       LEU  17  -2.049   5.532  -1.099
  113    HG   LEU  17           HG       LEU  17  -4.075   6.690  -2.335
  114   1HD1  LEU  17          1HD1      LEU  17  -3.760   5.370  -4.722
  115   2HD1  LEU  17          2HD1      LEU  17  -2.180   6.102  -4.447
  116   3HD1  LEU  17          3HD1      LEU  17  -3.627   7.110  -4.472
  117   1HD2  LEU  17          1HD2      LEU  17  -3.802   3.912  -3.243
  118   2HD2  LEU  17          2HD2      LEU  17  -5.024   4.652  -2.209
  119   3HD2  LEU  17          3HD2      LEU  17  -3.476   4.156  -1.528
  120    H    SER  18           H        SER  18  -3.105   8.834   0.038
  121    HA   SER  18           HA       SER  18  -1.329   8.330   2.309
  122   1HB   SER  18          2HB       SER  18  -3.446  10.317   1.731
  123   2HB   SER  18          1HB       SER  18  -3.326   9.782   3.406
  124    HG   SER  18           HG       SER  18  -1.696  11.427   2.013
  125    H    PHE  19           H        PHE  19  -2.558   7.906   4.473
  126    HA   PHE  19           HA       PHE  19  -4.985   6.550   4.525
  127   1HB   PHE  19          2HB       PHE  19  -4.372   4.196   4.602
  128   2HB   PHE  19          1HB       PHE  19  -3.875   4.894   3.069
  129    HD1  PHE  19           HD1      PHE  19  -2.918   2.668   5.427
  130    HD2  PHE  19           HD2      PHE  19  -1.359   6.010   3.339
  131    HE1  PHE  19           HE1      PHE  19  -0.654   1.855   5.807
  132    HE2  PHE  19           HE2      PHE  19   0.926   5.189   3.708
  133    HZ   PHE  19           HZ       PHE  19   1.272   3.100   4.958
  134    H    ARG  20           H        ARG  20  -4.693   4.566   6.345
  135    HA   ARG  20           HA       ARG  20  -3.511   5.908   8.687
  136   1HB   ARG  20          2HB       ARG  20  -5.400   4.105   9.681
  137   2HB   ARG  20          1HB       ARG  20  -5.550   5.852   9.617
  138   1HG   ARG  20          2HG       ARG  20  -6.301   4.829   7.079
  139   2HG   ARG  20          1HG       ARG  20  -7.104   3.874   8.320
  140   1HD   ARG  20          2HD       ARG  20  -7.104   6.864   8.416
  141   2HD   ARG  20          1HD       ARG  20  -8.282   5.974   7.449
  142    HE   ARG  20           HE       ARG  20  -8.248   6.243  10.305
  143   1HH1  ARG  20          1HH1      ARG  20  -9.248   4.225   7.643
  144   2HH1  ARG  20          2HH1      ARG  20 -10.473   3.409   8.553
  145   1HH2  ARG  20          1HH2      ARG  20  -9.872   5.163  11.513
  146   2HH2  ARG  20          2HH2      ARG  20 -10.833   3.944  10.746
  147    H    LYS  21           H        LYS  21  -2.643   4.474  10.372
  148    HA   LYS  21           HA       LYS  21  -1.100   2.355   9.304
  149   1HB   LYS  21          2HB       LYS  21   0.038   2.658  11.217
  150   2HB   LYS  21          1HB       LYS  21  -1.171   3.824  11.712
  151   1HG   LYS  21          2HG       LYS  21  -2.334   2.210  12.994
  152   2HG   LYS  21          1HG       LYS  21  -1.416   0.877  12.284
  153   1HD   LYS  21          2HD       LYS  21   0.656   1.969  13.279
  154   2HD   LYS  21          1HD       LYS  21  -0.444   3.003  14.191
  155   1HE   LYS  21          2HE       LYS  21  -0.420   1.402  15.750
  156   2HE   LYS  21          1HE       LYS  21  -1.429   0.470  14.645
  157   1HZ   LYS  21          1HZ       LYS  21   1.489   0.369  14.337
  158   2HZ   LYS  21          2HZ       LYS  21   0.331  -0.809  13.974
  159   3HZ   LYS  21          3HZ       LYS  21   0.771  -0.522  15.582
  160    H    THR  22           H        THR  22  -1.374   0.107   9.454
  161    HA   THR  22           HA       THR  22  -2.351  -1.897   9.782
  162    HB   THR  22           HB       THR  22  -4.612  -0.590  11.267
  163    HG1  THR  22           HG1      THR  22  -1.971  -1.039  12.061
  164   1HG2  THR  22          1HG2      THR  22  -3.773  -2.991  12.444
  165   2HG2  THR  22          2HG2      THR  22  -3.868  -3.290  10.709
  166   3HG2  THR  22          3HG2      THR  22  -5.274  -2.674  11.579
  167    H    GLN  23           H        GLN  23  -3.398   0.501   7.914
  168    HA   GLN  23           HA       GLN  23  -5.982  -0.175   7.130
  169   1HB   GLN  23          2HB       GLN  23  -4.628   1.923   6.804
  170   2HB   GLN  23          1HB       GLN  23  -3.768   1.085   5.524
  171   1HG   GLN  23          2HG       GLN  23  -5.582   2.584   4.748
  172   2HG   GLN  23          1HG       GLN  23  -5.739   0.912   4.211
  173   1HE2  GLN  23          1HE2      GLN  23  -6.662   2.852   7.017
  174   2HE2  GLN  23          2HE2      GLN  23  -8.292   2.294   7.103
  175    H    ILE  24           H        ILE  24  -6.763  -1.678   5.762
  176    HA   ILE  24           HA       ILE  24  -4.929  -3.574   4.543
  177    HB   ILE  24           HB       ILE  24  -6.990  -4.775   3.853
  178   1HG1  ILE  24          2HG1      ILE  24  -8.636  -2.993   5.593
  179   2HG1  ILE  24          1HG1      ILE  24  -8.300  -2.459   3.954
  180   1HG2  ILE  24          1HG2      ILE  24  -7.245  -4.163   6.768
  181   2HG2  ILE  24          2HG2      ILE  24  -5.798  -4.950   6.140
  182   3HG2  ILE  24          3HG2      ILE  24  -7.374  -5.711   5.931
  183   1HD1  ILE  24          1HD1      ILE  24 -10.343  -4.128   4.759
  184   2HD1  ILE  24          2HD1      ILE  24  -9.163  -5.210   4.015
  185   3HD1  ILE  24          3HD1      ILE  24  -9.803  -3.841   3.104
  186    H    LEU  25           H        LEU  25  -4.024  -2.926   2.675
  187    HA   LEU  25           HA       LEU  25  -5.673  -1.359   0.836
  188   1HB   LEU  25          2HB       LEU  25  -3.510  -0.830  -0.297
  189   2HB   LEU  25          1HB       LEU  25  -3.671  -0.218   1.340
  190    HG   LEU  25           HG       LEU  25  -2.356  -2.855   1.073
  191   1HD1  LEU  25          1HD1      LEU  25  -1.086  -0.303   0.099
  192   2HD1  LEU  25          2HD1      LEU  25  -1.326  -1.798  -0.806
  193   3HD1  LEU  25          3HD1      LEU  25  -0.185  -1.755   0.539
  194   1HD2  LEU  25          1HD2      LEU  25  -0.861  -1.039   2.571
  195   2HD2  LEU  25          2HD2      LEU  25  -1.928  -2.299   3.180
  196   3HD2  LEU  25          3HD2      LEU  25  -2.541  -0.667   2.927
  197    H    LYS  26           H        LYS  26  -5.924  -1.811  -1.245
  198    HA   LYS  26           HA       LYS  26  -5.668  -4.576  -2.141
  199   1HB   LYS  26          2HB       LYS  26  -7.146  -2.111  -2.984
  200   2HB   LYS  26          1HB       LYS  26  -6.898  -3.417  -4.130
  201   1HG   LYS  26          2HG       LYS  26  -8.179  -4.907  -2.914
  202   2HG   LYS  26          1HG       LYS  26  -8.091  -3.925  -1.451
  203   1HD   LYS  26          2HD       LYS  26  -9.358  -2.762  -3.883
  204   2HD   LYS  26          1HD       LYS  26 -10.260  -3.959  -2.950
  205   1HE   LYS  26          2HE       LYS  26  -9.082  -2.071  -1.156
  206   2HE   LYS  26          1HE       LYS  26  -9.949  -1.200  -2.422
  207   1HZ   LYS  26          1HZ       LYS  26 -11.227  -1.931  -0.342
  208   2HZ   LYS  26          2HZ       LYS  26 -11.206  -3.475  -1.031
  209   3HZ   LYS  26          3HZ       LYS  26 -11.943  -2.196  -1.853
  210    H    ILE  27           H        ILE  27  -4.184  -5.183  -3.744
  211    HA   ILE  27           HA       ILE  27  -2.530  -2.982  -4.787
  212    HB   ILE  27           HB       ILE  27  -1.610  -5.045  -3.322
  213   1HG1  ILE  27          2HG1      ILE  27   0.326  -4.236  -5.356
  214   2HG1  ILE  27          1HG1      ILE  27  -0.576  -2.890  -4.666
  215   1HG2  ILE  27          1HG2      ILE  27  -1.569  -6.021  -6.136
  216   2HG2  ILE  27          2HG2      ILE  27  -1.839  -6.873  -4.630
  217   3HG2  ILE  27          3HG2      ILE  27  -0.220  -6.390  -5.066
  218   1HD1  ILE  27          1HD1      ILE  27   0.084  -3.644  -2.420
  219   2HD1  ILE  27          2HD1      ILE  27   1.459  -3.223  -3.437
  220   3HD1  ILE  27          3HD1      ILE  27   1.056  -4.917  -3.157
  221    H    LEU  28           H        LEU  28  -2.213  -2.738  -7.054
  222    HA   LEU  28           HA       LEU  28  -4.147  -4.155  -8.621
  223   1HB   LEU  28          2HB       LEU  28  -2.467  -1.782  -8.892
  224   2HB   LEU  28          1HB       LEU  28  -2.628  -2.677 -10.390
  225    HG   LEU  28           HG       LEU  28  -5.196  -2.319  -9.068
  226   1HD1  LEU  28          1HD1      LEU  28  -4.814   0.241 -10.097
  227   2HD1  LEU  28          2HD1      LEU  28  -3.401  -0.055  -9.085
  228   3HD1  LEU  28          3HD1      LEU  28  -5.019  -0.208  -8.409
  229   1HD2  LEU  28          1HD2      LEU  28  -5.723  -2.628 -11.206
  230   2HD2  LEU  28          2HD2      LEU  28  -4.042  -2.419 -11.694
  231   3HD2  LEU  28          3HD2      LEU  28  -5.098  -1.015 -11.552
  232    H    ASN  29           H        ASN  29  -0.604  -3.808  -8.913
  233    HA   ASN  29           HA       ASN  29  -0.440  -6.491 -10.040
  234   1HB   ASN  29          2HB       ASN  29  -0.017  -3.977 -11.490
  235   2HB   ASN  29          1HB       ASN  29   1.414  -5.004 -11.504
  236   1HD2  ASN  29          1HD2      ASN  29   0.069  -4.397 -13.804
  237   2HD2  ASN  29          2HD2      ASN  29  -0.703  -5.816 -14.417
  238    H    MET  30           H        MET  30   1.409  -7.517  -9.265
  239    HA   MET  30           HA       MET  30   3.334  -5.842  -7.806
  240   1HB   MET  30          2HB       MET  30   3.563  -7.755  -6.227
  241   2HB   MET  30          1HB       MET  30   2.044  -6.875  -6.140
  242   1HG   MET  30          2HG       MET  30   2.017  -9.168  -7.957
  243   2HG   MET  30          1HG       MET  30   2.285  -9.573  -6.264
  244   1HE   MET  30          1HE       MET  30  -0.218  -9.918  -8.613
  245   2HE   MET  30          2HE       MET  30  -0.199  -8.186  -8.929
  246   3HE   MET  30          3HE       MET  30  -1.620  -8.933  -8.227
  247    H    GLU  31           H        GLU  31   5.341  -5.989  -8.448
  248    HA   GLU  31           HA       GLU  31   6.191  -8.335 -10.044
  249   1HB   GLU  31          2HB       GLU  31   6.919  -5.652 -10.295
  250   2HB   GLU  31          1HB       GLU  31   8.215  -6.329  -9.317
  251   1HG   GLU  31          2HG       GLU  31   7.659  -8.097 -11.481
  252   2HG   GLU  31          1HG       GLU  31   7.884  -6.464 -12.106
  253    H    ASP  32           H        ASP  32   8.329  -9.259  -9.244
  254    HA   ASP  32           HA       ASP  32   7.961 -10.300  -6.760
  255   1HB   ASP  32          2HB       ASP  32  10.086 -10.316  -8.693
  256   2HB   ASP  32          1HB       ASP  32  10.752 -10.298  -7.063
  257    H    ASP  33           H        ASP  33  10.124  -7.437  -7.304
  258    HA   ASP  33           HA       ASP  33   9.458  -6.564  -4.665
  259   1HB   ASP  33          2HB       ASP  33  11.738  -6.874  -3.672
  260   2HB   ASP  33          1HB       ASP  33  10.841  -8.360  -3.960
  261    H    SER  34           H        SER  34   9.697  -4.487  -4.362
  262    HA   SER  34           HA       SER  34  11.824  -2.985  -5.625
  263   1HB   SER  34          2HB       SER  34   9.229  -3.242  -6.837
  264   2HB   SER  34          1HB       SER  34   9.545  -1.559  -6.421
  265    HG   SER  34           HG       SER  34  10.350  -2.077  -8.483
  266    H    ASN  35           H        ASN  35  11.512  -0.554  -5.136
  267    HA   ASN  35           HA       ASN  35  10.774  -0.232  -2.351
  268   1HB   ASN  35          2HB       ASN  35  12.566   1.000  -4.193
  269   2HB   ASN  35          1HB       ASN  35  11.473   2.247  -3.599
  270   1HD2  ASN  35          1HD2      ASN  35  11.283   2.487  -1.276
  271   2HD2  ASN  35          2HD2      ASN  35  12.647   2.135  -0.275
  272    H    TRP  36           H        TRP  36   9.538   0.726  -5.509
  273    HA   TRP  36           HA       TRP  36   7.360   2.228  -4.199
  274   1HB   TRP  36          2HB       TRP  36   8.791   2.607  -6.789
  275   2HB   TRP  36          1HB       TRP  36   7.098   3.077  -6.696
  276    HD1  TRP  36           HD1      TRP  36   6.488   5.145  -5.101
  277    HE1  TRP  36           HE1      TRP  36   7.935   7.078  -4.203
  278    HE3  TRP  36           HE3      TRP  36  11.119   3.159  -5.958
  279    HZ2  TRP  36           HZ2      TRP  36  10.673   7.682  -3.900
  280    HZ3  TRP  36           HZ3      TRP  36  13.096   4.476  -5.339
  281    HH2  TRP  36           HH2      TRP  36  12.878   6.691  -4.332
  282    H    TYR  37           H        TYR  37   5.483   1.178  -4.133
  283    HA   TYR  37           HA       TYR  37   4.958  -0.817  -6.223
  284   1HB   TYR  37          2HB       TYR  37   4.246  -0.667  -3.331
  285   2HB   TYR  37          1HB       TYR  37   3.185  -1.549  -4.419
  286    HD1  TYR  37           HD1      TYR  37   6.857  -1.420  -4.820
  287    HD2  TYR  37           HD2      TYR  37   3.525  -3.678  -3.448
  288    HE1  TYR  37           HE1      TYR  37   8.294  -3.400  -4.601
  289    HE2  TYR  37           HE2      TYR  37   4.954  -5.666  -3.225
  290    HH   TYR  37           HH       TYR  37   7.983  -5.724  -2.933
  291    H    ARG  38           H        ARG  38   2.852  -1.070  -7.097
  292    HA   ARG  38           HA       ARG  38   1.328   1.429  -7.098
  293   1HB   ARG  38          2HB       ARG  38   0.226   0.408  -9.166
  294   2HB   ARG  38          1HB       ARG  38   1.943   0.744  -9.334
  295   1HG   ARG  38          2HG       ARG  38   2.300  -1.706  -8.678
  296   2HG   ARG  38          1HG       ARG  38   0.578  -1.903  -8.994
  297   1HD   ARG  38          2HD       ARG  38   2.645  -0.898 -10.946
  298   2HD   ARG  38          1HD       ARG  38   1.925  -2.505 -10.939
  299    HE   ARG  38           HE       ARG  38  -0.051  -1.618 -11.783
  300   1HH1  ARG  38          1HH1      ARG  38   2.273   0.913 -11.139
  301   2HH1  ARG  38          2HH1      ARG  38   1.382   2.118 -12.002
  302   1HH2  ARG  38          1HH2      ARG  38  -1.205  -0.044 -12.935
  303   2HH2  ARG  38          2HH2      ARG  38  -0.591   1.573 -13.025
  304    H    ALA  39           H        ALA  39  -0.015   1.349  -5.426
  305    HA   ALA  39           HA       ALA  39  -1.584  -1.101  -5.027
  306   1HB   ALA  39          1HB       ALA  39  -0.158   0.468  -3.175
  307   2HB   ALA  39          2HB       ALA  39  -1.207  -0.906  -2.844
  308   3HB   ALA  39          3HB       ALA  39  -1.869   0.727  -2.839
  309    H    GLU  40           H        GLU  40  -3.747  -0.643  -3.956
  310    HA   GLU  40           HA       GLU  40  -5.022   1.673  -5.190
  311   1HB   GLU  40          2HB       GLU  40  -6.950   0.157  -5.856
  312   2HB   GLU  40          1HB       GLU  40  -5.473  -0.034  -6.782
  313   1HG   GLU  40          2HG       GLU  40  -4.917  -2.041  -5.639
  314   2HG   GLU  40          1HG       GLU  40  -6.208  -1.779  -4.480
  315    H    LEU  41           H        LEU  41  -7.066   2.249  -4.198
  316    HA   LEU  41           HA       LEU  41  -7.915   0.938  -1.785
  317   1HB   LEU  41          2HB       LEU  41  -5.838   2.305  -1.178
  318   2HB   LEU  41          1HB       LEU  41  -6.815   3.727  -1.493
  319    HG   LEU  41           HG       LEU  41  -6.626   3.085   0.921
  320   1HD1  LEU  41          1HD1      LEU  41  -9.495   2.808   0.385
  321   2HD1  LEU  41          2HD1      LEU  41  -8.708   4.170  -0.412
  322   3HD1  LEU  41          3HD1      LEU  41  -8.624   4.008   1.342
  323   1HD2  LEU  41          1HD2      LEU  41  -7.532   1.153   1.786
  324   2HD2  LEU  41          2HD2      LEU  41  -6.860   0.571   0.262
  325   3HD2  LEU  41          3HD2      LEU  41  -8.588   0.896   0.398
  326    H    ASP  42           H        ASP  42 -10.004   1.475  -1.300
  327    HA   ASP  42           HA       ASP  42 -12.094   2.280  -1.636
  328   1HB   ASP  42          2HB       ASP  42 -10.417   4.435  -1.027
  329   2HB   ASP  42          1HB       ASP  42 -11.412   5.006  -2.357
  330    H    GLY  43           H        GLY  43 -10.656   4.598  -3.903
  331   1HA   GLY  43          2HA       GLY  43 -11.668   3.064  -6.170
  332   2HA   GLY  43          1HA       GLY  43 -12.403   4.633  -5.884
  333    H    LYS  44           H        LYS  44  -9.037   4.277  -5.106
  334    HA   LYS  44           HA       LYS  44  -8.298   5.619  -7.622
  335   1HB   LYS  44          2HB       LYS  44  -6.817   7.079  -6.273
  336   2HB   LYS  44          1HB       LYS  44  -8.524   7.315  -5.921
  337   1HG   LYS  44          2HG       LYS  44  -7.937   5.487  -4.053
  338   2HG   LYS  44          1HG       LYS  44  -6.364   6.267  -4.215
  339   1HD   LYS  44          2HD       LYS  44  -8.922   7.800  -3.800
  340   2HD   LYS  44          1HD       LYS  44  -7.917   7.233  -2.466
  341   1HE   LYS  44          2HE       LYS  44  -6.059   8.544  -3.244
  342   2HE   LYS  44          1HE       LYS  44  -6.943   9.011  -4.695
  343   1HZ   LYS  44          1HZ       LYS  44  -8.066  10.585  -3.595
  344   2HZ   LYS  44          2HZ       LYS  44  -6.821  10.474  -2.456
  345   3HZ   LYS  44          3HZ       LYS  44  -8.274   9.644  -2.204
  346    H    GLU  45           H        GLU  45  -6.418   4.962  -8.525
  347    HA   GLU  45           HA       GLU  45  -4.837   2.952  -7.077
  348   1HB   GLU  45          2HB       GLU  45  -3.965   2.301  -9.284
  349   2HB   GLU  45          1HB       GLU  45  -5.719   2.199  -9.231
  350   1HG   GLU  45          2HG       GLU  45  -5.224   4.762 -10.140
  351   2HG   GLU  45          1HG       GLU  45  -4.006   3.774 -10.944
  352    H    GLY  46           H        GLY  46  -2.842   3.607  -6.274
  353   1HA   GLY  46          2HA       GLY  46  -1.553   5.810  -7.733
  354   2HA   GLY  46          1HA       GLY  46  -1.909   6.039  -6.049
  355    H    LEU  47           H        LEU  47   0.471   6.558  -6.480
  356    HA   LEU  47           HA       LEU  47   2.166   4.194  -6.293
  357   1HB   LEU  47          2HB       LEU  47   2.503   6.955  -7.140
  358   2HB   LEU  47          1HB       LEU  47   3.775   6.455  -6.045
  359    HG   LEU  47           HG       LEU  47   3.583   4.353  -7.860
  360   1HD1  LEU  47          1HD1      LEU  47   4.039   6.425  -9.782
  361   2HD1  LEU  47          2HD1      LEU  47   2.436   6.620  -9.077
  362   3HD1  LEU  47          3HD1      LEU  47   2.885   5.093  -9.831
  363   1HD2  LEU  47          1HD2      LEU  47   5.444   6.605  -7.331
  364   2HD2  LEU  47          2HD2      LEU  47   5.713   5.623  -8.770
  365   3HD2  LEU  47          3HD2      LEU  47   5.704   4.866  -7.176
  366    H    ILE  48           H        ILE  48   3.394   3.724  -4.407
  367    HA   ILE  48           HA       ILE  48   3.414   5.632  -2.225
  368    HB   ILE  48           HB       ILE  48   2.507   3.811  -0.613
  369   1HG1  ILE  48          2HG1      ILE  48   2.189   2.359  -2.906
  370   2HG1  ILE  48          1HG1      ILE  48   1.324   2.067  -1.412
  371   1HG2  ILE  48          1HG2      ILE  48   1.584   6.119  -1.312
  372   2HG2  ILE  48          2HG2      ILE  48   0.539   4.985  -0.461
  373   3HG2  ILE  48          3HG2      ILE  48   0.387   5.183  -2.203
  374   1HD1  ILE  48          1HD1      ILE  48  -0.162   2.033  -3.311
  375   2HD1  ILE  48          2HD1      ILE  48   0.306   3.660  -3.755
  376   3HD1  ILE  48          3HD1      ILE  48  -0.568   3.371  -2.250
  377    HA   PRO  49           HA       PRO  49   7.024   3.444  -0.858
  378   1HB   PRO  49          2HB       PRO  49   6.418   3.792   1.956
  379   2HB   PRO  49          1HB       PRO  49   7.587   4.663   0.963
  380   1HG   PRO  49          2HG       PRO  49   5.318   5.798   1.988
  381   2HG   PRO  49          1HG       PRO  49   6.130   6.364   0.518
  382   1HD   PRO  49          2HD       PRO  49   3.725   4.627   0.790
  383   2HD   PRO  49          1HD       PRO  49   4.024   5.938  -0.354
  384    H    SER  50           H        SER  50   6.751   1.291  -1.352
  385    HA   SER  50           HA       SER  50   4.907  -0.408  -0.138
  386   1HB   SER  50          2HB       SER  50   6.184  -0.930  -2.228
  387   2HB   SER  50          1HB       SER  50   7.616  -1.215  -1.244
  388    HG   SER  50           HG       SER  50   5.276  -2.594  -0.631
  389    H    ASN  51           H        ASN  51   7.539   1.066   1.337
  390    HA   ASN  51           HA       ASN  51   8.335  -0.996   3.112
  391   1HB   ASN  51          2HB       ASN  51   8.895   1.880   2.693
  392   2HB   ASN  51          1HB       ASN  51   9.209   1.248   4.305
  393   1HD2  ASN  51          1HD2      ASN  51  10.768  -0.368   4.575
  394   2HD2  ASN  51          2HD2      ASN  51  11.990  -0.653   3.386
  395    H    TYR  52           H        TYR  52   5.511   0.998   3.186
  396    HA   TYR  52           HA       TYR  52   5.415   0.892   6.120
  397   1HB   TYR  52          2HB       TYR  52   3.480   2.359   6.012
  398   2HB   TYR  52          1HB       TYR  52   4.826   3.048   5.123
  399    HD1  TYR  52           HD1      TYR  52   3.950   4.384   3.458
  400    HD2  TYR  52           HD2      TYR  52   2.195   0.581   4.112
  401    HE1  TYR  52           HE1      TYR  52   2.419   4.749   1.569
  402    HE2  TYR  52           HE2      TYR  52   0.669   0.935   2.226
  403    HH   TYR  52           HH       TYR  52   0.645   2.317   0.128
  404    H    ILE  53           H        ILE  53   4.782  -1.137   3.777
  405    HA   ILE  53           HA       ILE  53   2.484  -2.405   5.112
  406    HB   ILE  53           HB       ILE  53   2.276  -3.599   2.808
  407   1HG1  ILE  53          2HG1      ILE  53   3.158  -1.105   1.521
  408   2HG1  ILE  53          1HG1      ILE  53   4.453  -2.082   2.196
  409   1HG2  ILE  53          1HG2      ILE  53   1.389  -0.823   2.475
  410   2HG2  ILE  53          2HG2      ILE  53   0.887  -1.655   3.943
  411   3HG2  ILE  53          3HG2      ILE  53   0.489  -2.339   2.377
  412   1HD1  ILE  53          1HD1      ILE  53   2.415  -2.971   0.175
  413   2HD1  ILE  53          2HD1      ILE  53   3.638  -4.011   0.907
  414   3HD1  ILE  53          3HD1      ILE  53   4.123  -2.656  -0.103
  415    H    GLU  54           H        GLU  54   2.473  -4.662   4.958
  416    HA   GLU  54           HA       GLU  54   4.966  -6.063   4.376
  417   1HB   GLU  54          2HB       GLU  54   3.427  -6.139   6.969
  418   2HB   GLU  54          1HB       GLU  54   4.458  -7.471   6.469
  419   1HG   GLU  54          2HG       GLU  54   6.243  -6.436   7.247
  420   2HG   GLU  54          1HG       GLU  54   5.913  -5.023   6.248
  421    H    MET  55           H        MET  55   4.601  -8.101   3.522
  422    HA   MET  55           HA       MET  55   1.988  -8.617   2.567
  423   1HB   MET  55          2HB       MET  55   4.135 -10.691   2.463
  424   2HB   MET  55          1HB       MET  55   2.935 -10.267   1.251
  425   1HG   MET  55          2HG       MET  55   4.654  -9.282   0.218
  426   2HG   MET  55          1HG       MET  55   4.368  -7.977   1.367
  427   1HE   MET  55          1HE       MET  55   6.181 -11.559   2.339
  428   2HE   MET  55          2HE       MET  55   7.700 -11.128   1.555
  429   3HE   MET  55          3HE       MET  55   6.215 -11.208   0.610
  430    H    LYS  56           H        LYS  56   0.400  -9.772   3.434
  431    HA   LYS  56           HA       LYS  56  -0.737 -10.794   5.245
  432   1HB   LYS  56          2HB       LYS  56  -0.627 -13.180   4.623
  433   2HB   LYS  56          1HB       LYS  56  -0.860 -12.071   3.277
  434   1HG   LYS  56          2HG       LYS  56   1.437 -12.278   2.630
  435   2HG   LYS  56          1HG       LYS  56   1.795 -13.248   4.060
  436   1HD   LYS  56          2HD       LYS  56   1.326 -15.069   2.877
  437   2HD   LYS  56          1HD       LYS  56  -0.349 -14.525   2.768
  438   1HE   LYS  56          2HE       LYS  56   0.971 -13.017   0.859
  439   2HE   LYS  56          1HE       LYS  56   1.722 -14.605   0.732
  440   1HZ   LYS  56          1HZ       LYS  56  -0.023 -15.056  -0.568
  441   2HZ   LYS  56          2HZ       LYS  56  -0.942 -13.762   0.015
  442   3HZ   LYS  56          3HZ       LYS  56  -0.895 -15.219   0.873
  443    H    ASN  57           H        ASN  57  -0.780 -11.615   7.227
  444    HA   ASN  57           HA       ASN  57   1.602 -12.976   8.315
  445   1HB   ASN  57          2HB       ASN  57   1.123 -11.747  10.462
  446   2HB   ASN  57          1HB       ASN  57   1.699 -10.735   9.141
  447   1HD2  ASN  57          1HD2      ASN  57   0.805  -8.957  10.275
  448   2HD2  ASN  57          2HD2      ASN  57  -0.888  -8.623  10.190
  449    H    HIS  58           H        HIS  58   0.039 -14.811   7.623
  450    HA   HIS  58           HA       HIS  58  -2.345 -15.221   9.122
  451   1HB   HIS  58          2HB       HIS  58  -2.347 -17.464   8.183
  452   2HB   HIS  58          1HB       HIS  58  -1.937 -16.297   6.937
  453    HD1  HIS  58           HD1      HIS  58  -0.593 -19.219   8.793
  454    HD2  HIS  58           HD2      HIS  58   0.724 -16.449   5.988
  455    HE1  HIS  58           HE1      HIS  58   1.547 -20.164   7.865
  456    HE2  HIS  58           HE2      HIS  58   2.348 -18.448   6.206
  457    H    ASP  59           H        ASP  59   0.775 -17.036   9.318
  458    HA   ASP  59           HA       ASP  59   0.039 -18.041  11.918
  459   1HB   ASP  59          2HB       ASP  59   1.884 -18.791   9.871
  460   2HB   ASP  59          1HB       ASP  59   2.785 -18.566  11.364
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1  -6.077 -11.526  -3.827
    2   2H    MET   1          2H        MET   1  -5.768  -9.851  -4.047
    3   3H    MET   1          3H        MET   1  -6.818 -10.376  -2.796
    4    HA   MET   1           HA       MET   1  -5.128 -11.267  -1.563
    5   1HB   MET   1          2HB       MET   1  -2.776 -10.725  -3.077
    6   2HB   MET   1          1HB       MET   1  -3.379 -12.275  -2.520
    7   1HG   MET   1          2HG       MET   1  -4.683 -11.268  -4.947
    8   2HG   MET   1          1HG       MET   1  -2.962 -11.587  -5.109
    9   1HE   MET   1          1HE       MET   1  -2.576 -13.151  -6.391
   10   2HE   MET   1          2HE       MET   1  -3.890 -14.168  -6.980
   11   3HE   MET   1          3HE       MET   1  -2.629 -14.861  -5.961
   12    H    GLU   2           H        GLU   2  -5.008  -9.686  -0.077
   13    HA   GLU   2           HA       GLU   2  -4.210  -7.034  -1.001
   14   1HB   GLU   2          2HB       GLU   2  -5.901  -8.076   1.163
   15   2HB   GLU   2          1HB       GLU   2  -4.922  -6.686   1.607
   16   1HG   GLU   2          2HG       GLU   2  -6.125  -5.274   0.356
   17   2HG   GLU   2          1HG       GLU   2  -6.329  -6.439  -0.953
   18    H    ALA   3           H        ALA   3  -3.248  -5.705   0.773
   19    HA   ALA   3           HA       ALA   3  -0.944  -7.024   2.066
   20   1HB   ALA   3          1HB       ALA   3   0.602  -5.702   1.058
   21   2HB   ALA   3          2HB       ALA   3  -0.519  -4.356   0.851
   22   3HB   ALA   3          3HB       ALA   3  -0.592  -5.740  -0.240
   23    H    ILE   4           H        ILE   4  -0.230  -5.947   3.983
   24    HA   ILE   4           HA       ILE   4  -2.191  -4.018   5.027
   25    HB   ILE   4           HB       ILE   4  -0.131  -5.412   6.714
   26   1HG1  ILE   4          2HG1      ILE   4  -2.852  -6.541   6.733
   27   2HG1  ILE   4          1HG1      ILE   4  -1.933  -6.868   5.267
   28   1HG2  ILE   4          1HG2      ILE   4  -2.879  -4.421   7.424
   29   2HG2  ILE   4          2HG2      ILE   4  -1.423  -3.435   7.543
   30   3HG2  ILE   4          3HG2      ILE   4  -1.581  -4.894   8.518
   31   1HD1  ILE   4          1HD1      ILE   4  -1.843  -8.381   7.486
   32   2HD1  ILE   4          2HD1      ILE   4  -0.482  -7.305   7.781
   33   3HD1  ILE   4          3HD1      ILE   4  -0.532  -8.275   6.313
   34    H    ALA   5           H        ALA   5  -1.422  -2.127   6.129
   35    HA   ALA   5           HA       ALA   5   1.422  -1.593   5.927
   36   1HB   ALA   5          1HB       ALA   5   1.174  -0.472   4.029
   37   2HB   ALA   5          2HB       ALA   5   0.426   0.790   4.988
   38   3HB   ALA   5          3HB       ALA   5  -0.562  -0.423   4.192
   39    H    LYS   6           H        LYS   6   1.841  -1.110   8.065
   40    HA   LYS   6           HA       LYS   6  -0.143   0.631   9.340
   41   1HB   LYS   6          2HB       LYS   6   1.230   0.010  11.448
   42   2HB   LYS   6          1HB       LYS   6   0.163  -1.195  10.744
   43   1HG   LYS   6          2HG       LYS   6   1.993  -2.352   9.748
   44   2HG   LYS   6          1HG       LYS   6   3.110  -1.043  10.144
   45   1HD   LYS   6          2HD       LYS   6   3.596  -2.157  12.016
   46   2HD   LYS   6          1HD       LYS   6   1.978  -1.752  12.585
   47   1HE   LYS   6          2HE       LYS   6   1.130  -3.829  11.550
   48   2HE   LYS   6          1HE       LYS   6   2.777  -4.241  11.075
   49   1HZ   LYS   6          1HZ       LYS   6   1.496  -4.445  13.655
   50   2HZ   LYS   6          2HZ       LYS   6   3.050  -3.778  13.712
   51   3HZ   LYS   6          3HZ       LYS   6   2.810  -5.307  13.029
   52    H    HIS   7           H        HIS   7   0.324   2.625   8.660
   53    HA   HIS   7           HA       HIS   7   2.134   3.993  10.158
   54   1HB   HIS   7          2HB       HIS   7   3.314   3.102   7.777
   55   2HB   HIS   7          1HB       HIS   7   2.879   4.777   7.445
   56    HD1  HIS   7           HD1      HIS   7   4.683   6.361   8.021
   57    HD2  HIS   7           HD2      HIS   7   4.763   2.999  10.459
   58    HE1  HIS   7           HE1      HIS   7   6.648   6.688   9.550
   59    HE2  HIS   7           HE2      HIS   7   6.619   4.689  11.081
   60    H    ASP   8           H        ASP   8   0.708   5.764  10.630
   61    HA   ASP   8           HA       ASP   8  -1.293   6.392   8.578
   62   1HB   ASP   8          2HB       ASP   8  -2.249   7.866  10.436
   63   2HB   ASP   8          1HB       ASP   8  -2.275   6.140  10.744
   64    H    PHE   9           H        PHE   9  -0.479   7.559   7.098
   65    HA   PHE   9           HA       PHE   9   0.803  10.122   7.806
   66   1HB   PHE   9          2HB       PHE   9   1.843   8.135   6.157
   67   2HB   PHE   9          1HB       PHE   9   1.142   9.284   5.022
   68    HD1  PHE   9           HD1      PHE   9   3.610   8.862   7.723
   69    HD2  PHE   9           HD2      PHE   9   2.138  11.403   4.639
   70    HE1  PHE   9           HE1      PHE   9   5.595  10.299   7.961
   71    HE2  PHE   9           HE2      PHE   9   4.121  12.842   4.872
   72    HZ   PHE   9           HZ       PHE   9   5.850  12.293   6.536
   73    H    SER  10           H        SER  10  -0.681  11.669   7.644
   74    HA   SER  10           HA       SER  10  -2.689  11.472   5.511
   75   1HB   SER  10          2HB       SER  10  -2.760  12.748   8.243
   76   2HB   SER  10          1HB       SER  10  -3.924  13.189   6.994
   77    HG   SER  10           HG       SER  10  -3.473  10.587   8.038
   78    H    ALA  11           H        ALA  11  -1.999  12.481   3.837
   79    HA   ALA  11           HA       ALA  11  -2.119  15.179   3.539
   80   1HB   ALA  11          1HB       ALA  11   0.018  15.083   4.988
   81   2HB   ALA  11          2HB       ALA  11   0.034  16.099   3.550
   82   3HB   ALA  11          3HB       ALA  11   0.809  14.515   3.520
   83    H    THR  12           H        THR  12  -2.528  15.443   1.490
   84    HA   THR  12           HA       THR  12  -2.034  13.387  -0.490
   85    HB   THR  12           HB       THR  12  -4.189  14.385  -0.269
   86    HG1  THR  12           HG1      THR  12  -3.820  13.778  -2.322
   87   1HG2  THR  12          1HG2      THR  12  -4.630  16.554  -0.124
   88   2HG2  THR  12          2HG2      THR  12  -3.583  16.939  -1.491
   89   3HG2  THR  12          3HG2      THR  12  -2.900  16.784   0.127
   90    H    ALA  13           H        ALA  13  -0.894  13.357  -2.127
   91    HA   ALA  13           HA       ALA  13   0.569  15.676  -3.231
   92   1HB   ALA  13          1HB       ALA  13   2.238  13.404  -3.362
   93   2HB   ALA  13          2HB       ALA  13   1.610  13.429  -1.713
   94   3HB   ALA  13          3HB       ALA  13   2.476  14.827  -2.348
   95    H    ASP  14           H        ASP  14  -0.293  15.562  -5.301
   96    HA   ASP  14           HA       ASP  14  -1.580  14.596  -6.973
   97   1HB   ASP  14          2HB       ASP  14   0.993  15.284  -7.385
   98   2HB   ASP  14          1HB       ASP  14   0.964  13.673  -8.083
   99    H    ASP  15           H        ASP  15   0.874  12.196  -7.588
  100    HA   ASP  15           HA       ASP  15  -1.216  10.172  -7.560
  101   1HB   ASP  15          2HB       ASP  15   1.217  10.642  -9.110
  102   2HB   ASP  15          1HB       ASP  15   1.060   8.969  -8.580
  103    H    GLU  16           H        GLU  16   0.181  11.162  -5.073
  104    HA   GLU  16           HA       GLU  16   1.361   8.618  -4.156
  105   1HB   GLU  16          2HB       GLU  16   1.926  11.426  -3.580
  106   2HB   GLU  16          1HB       GLU  16   1.677  10.481  -2.119
  107   1HG   GLU  16          2HG       GLU  16   3.576   9.290  -2.397
  108   2HG   GLU  16          1HG       GLU  16   3.455   9.298  -4.156
  109    H    LEU  17           H        LEU  17  -0.120   7.327  -3.271
  110    HA   LEU  17           HA       LEU  17  -2.614   8.312  -2.263
  111   1HB   LEU  17          2HB       LEU  17  -1.500   5.810  -3.077
  112   2HB   LEU  17          1HB       LEU  17  -2.128   5.613  -1.450
  113    HG   LEU  17           HG       LEU  17  -4.243   6.824  -2.503
  114   1HD1  LEU  17          1HD1      LEU  17  -2.814   6.869  -4.716
  115   2HD1  LEU  17          2HD1      LEU  17  -4.557   6.602  -4.748
  116   3HD1  LEU  17          3HD1      LEU  17  -3.454   5.235  -4.878
  117   1HD2  LEU  17          1HD2      LEU  17  -4.279   4.650  -1.437
  118   2HD2  LEU  17          2HD2      LEU  17  -3.559   3.910  -2.867
  119   3HD2  LEU  17          3HD2      LEU  17  -5.184   4.594  -2.950
  120    H    SER  18           H        SER  18  -3.058   8.901  -0.233
  121    HA   SER  18           HA       SER  18  -1.143   8.399   1.917
  122   1HB   SER  18          2HB       SER  18  -3.474  10.231   1.517
  123   2HB   SER  18          1HB       SER  18  -3.056   9.779   3.169
  124    HG   SER  18           HG       SER  18  -1.200  10.840   3.014
  125    H    PHE  19           H        PHE  19  -2.195   7.865   4.104
  126    HA   PHE  19           HA       PHE  19  -4.569   6.360   4.179
  127   1HB   PHE  19          2HB       PHE  19  -3.492   4.078   4.606
  128   2HB   PHE  19          1HB       PHE  19  -3.499   4.625   2.934
  129    HD1  PHE  19           HD1      PHE  19  -1.384   5.730   2.044
  130    HD2  PHE  19           HD2      PHE  19  -1.501   3.486   5.657
  131    HE1  PHE  19           HE1      PHE  19   1.050   5.447   1.934
  132    HE2  PHE  19           HE2      PHE  19   0.942   3.193   5.548
  133    HZ   PHE  19           HZ       PHE  19   2.211   4.170   3.674
  134    H    ARG  20           H        ARG  20  -4.369   4.631   6.122
  135    HA   ARG  20           HA       ARG  20  -3.302   6.155   8.401
  136   1HB   ARG  20          2HB       ARG  20  -5.091   4.916   9.717
  137   2HB   ARG  20          1HB       ARG  20  -5.657   6.154   8.604
  138   1HG   ARG  20          2HG       ARG  20  -5.544   3.629   7.258
  139   2HG   ARG  20          1HG       ARG  20  -6.455   3.467   8.760
  140   1HD   ARG  20          2HD       ARG  20  -6.948   5.622   6.713
  141   2HD   ARG  20          1HD       ARG  20  -7.832   4.098   6.770
  142    HE   ARG  20           HE       ARG  20  -8.164   5.030   9.260
  143   1HH1  ARG  20          1HH1      ARG  20  -8.550   6.590   6.159
  144   2HH1  ARG  20          2HH1      ARG  20  -9.832   7.620   6.701
  145   1HH2  ARG  20          1HH2      ARG  20  -9.845   6.380   9.969
  146   2HH2  ARG  20          2HH2      ARG  20 -10.567   7.501   8.864
  147    H    LYS  21           H        LYS  21  -2.407   4.921  10.172
  148    HA   LYS  21           HA       LYS  21  -0.749   2.809   9.489
  149   1HB   LYS  21          2HB       LYS  21  -0.644   4.388  11.527
  150   2HB   LYS  21          1HB       LYS  21  -1.787   3.283  12.272
  151   1HG   LYS  21          2HG       LYS  21  -0.066   1.455  11.763
  152   2HG   LYS  21          1HG       LYS  21   1.062   2.786  11.492
  153   1HD   LYS  21          2HD       LYS  21   1.364   2.225  13.747
  154   2HD   LYS  21          1HD       LYS  21   0.312   3.641  13.786
  155   1HE   LYS  21          2HE       LYS  21  -1.027   1.013  13.658
  156   2HE   LYS  21          1HE       LYS  21  -0.182   1.385  15.159
  157   1HZ   LYS  21          1HZ       LYS  21  -2.699   2.188  14.488
  158   2HZ   LYS  21          2HZ       LYS  21  -1.770   3.576  14.224
  159   3HZ   LYS  21          3HZ       LYS  21  -1.758   2.827  15.741
  160    H    THR  22           H        THR  22  -0.976   0.644   9.541
  161    HA   THR  22           HA       THR  22  -1.764  -1.428   9.938
  162    HB   THR  22           HB       THR  22  -4.203  -0.440  11.336
  163    HG1  THR  22           HG1      THR  22  -2.063   0.693  11.988
  164   1HG2  THR  22          1HG2      THR  22  -2.485  -2.828  11.412
  165   2HG2  THR  22          2HG2      THR  22  -4.220  -2.662  11.682
  166   3HG2  THR  22          3HG2      THR  22  -3.083  -2.250  12.965
  167    H    GLN  23           H        GLN  23  -3.976   1.005   8.676
  168    HA   GLN  23           HA       GLN  23  -5.907  -0.818   7.761
  169   1HB   GLN  23          2HB       GLN  23  -6.376   1.573   7.849
  170   2HB   GLN  23          1HB       GLN  23  -5.212   1.861   6.563
  171   1HG   GLN  23          2HG       GLN  23  -6.909  -0.025   5.481
  172   2HG   GLN  23          1HG       GLN  23  -7.982   1.019   6.414
  173   1HE2  GLN  23          1HE2      GLN  23  -8.865   2.499   5.170
  174   2HE2  GLN  23          2HE2      GLN  23  -8.080   3.372   3.901
  175    H    ILE  24           H        ILE  24  -6.165  -2.025   5.996
  176    HA   ILE  24           HA       ILE  24  -3.751  -2.656   4.532
  177    HB   ILE  24           HB       ILE  24  -5.222  -4.470   3.513
  178   1HG1  ILE  24          2HG1      ILE  24  -7.065  -3.724   5.790
  179   2HG1  ILE  24          1HG1      ILE  24  -7.369  -3.274   4.114
  180   1HG2  ILE  24          1HG2      ILE  24  -3.905  -4.261   5.994
  181   2HG2  ILE  24          2HG2      ILE  24  -4.203  -5.710   5.038
  182   3HG2  ILE  24          3HG2      ILE  24  -5.367  -5.207   6.264
  183   1HD1  ILE  24          1HD1      ILE  24  -8.616  -5.267   4.824
  184   2HD1  ILE  24          2HD1      ILE  24  -7.086  -6.097   5.115
  185   3HD1  ILE  24          3HD1      ILE  24  -7.516  -5.588   3.487
  186    H    LEU  25           H        LEU  25  -3.406  -2.523   2.405
  187    HA   LEU  25           HA       LEU  25  -5.285  -0.886   0.832
  188   1HB   LEU  25          2HB       LEU  25  -2.372  -1.208   0.215
  189   2HB   LEU  25          1HB       LEU  25  -3.461   0.077  -0.264
  190    HG   LEU  25           HG       LEU  25  -2.020   1.037   1.312
  191   1HD1  LEU  25          1HD1      LEU  25  -3.949   1.979   1.995
  192   2HD1  LEU  25          2HD1      LEU  25  -3.599   1.076   3.469
  193   3HD1  LEU  25          3HD1      LEU  25  -4.740   0.432   2.289
  194   1HD2  LEU  25          1HD2      LEU  25  -2.562  -1.124   3.306
  195   2HD2  LEU  25          2HD2      LEU  25  -1.298   0.093   3.284
  196   3HD2  LEU  25          3HD2      LEU  25  -1.247  -1.237   2.132
  197    H    LYS  26           H        LYS  26  -5.535  -1.411  -1.381
  198    HA   LYS  26           HA       LYS  26  -5.388  -4.240  -2.039
  199   1HB   LYS  26          2HB       LYS  26  -6.281  -2.034  -3.846
  200   2HB   LYS  26          1HB       LYS  26  -6.822  -3.699  -3.824
  201   1HG   LYS  26          2HG       LYS  26  -7.455  -1.631  -1.721
  202   2HG   LYS  26          1HG       LYS  26  -8.538  -2.145  -3.015
  203   1HD   LYS  26          2HD       LYS  26  -8.662  -4.361  -2.126
  204   2HD   LYS  26          1HD       LYS  26  -7.387  -4.016  -0.954
  205   1HE   LYS  26          2HE       LYS  26  -9.906  -2.401  -0.969
  206   2HE   LYS  26          1HE       LYS  26  -9.874  -3.985  -0.196
  207   1HZ   LYS  26          1HZ       LYS  26  -7.874  -1.905   0.448
  208   2HZ   LYS  26          2HZ       LYS  26  -8.293  -3.275   1.347
  209   3HZ   LYS  26          3HZ       LYS  26  -9.368  -1.973   1.241
  210    H    ILE  27           H        ILE  27  -3.847  -5.104  -3.455
  211    HA   ILE  27           HA       ILE  27  -2.014  -3.142  -4.657
  212    HB   ILE  27           HB       ILE  27  -1.008  -4.625  -2.943
  213   1HG1  ILE  27          2HG1      ILE  27   0.048  -3.671  -5.251
  214   2HG1  ILE  27          1HG1      ILE  27   0.985  -4.454  -3.990
  215   1HG2  ILE  27          1HG2      ILE  27  -2.154  -6.699  -4.640
  216   2HG2  ILE  27          2HG2      ILE  27  -1.673  -6.749  -2.946
  217   3HG2  ILE  27          3HG2      ILE  27  -0.470  -6.988  -4.210
  218   1HD1  ILE  27          1HD1      ILE  27   1.730  -5.788  -5.573
  219   2HD1  ILE  27          2HD1      ILE  27   0.514  -5.253  -6.723
  220   3HD1  ILE  27          3HD1      ILE  27   0.147  -6.553  -5.592
  221    H    LEU  28           H        LEU  28  -1.644  -3.122  -6.846
  222    HA   LEU  28           HA       LEU  28  -3.444  -4.729  -8.400
  223   1HB   LEU  28          2HB       LEU  28  -2.574  -2.181  -8.577
  224   2HB   LEU  28          1HB       LEU  28  -1.527  -2.946  -9.756
  225    HG   LEU  28           HG       LEU  28  -3.709  -3.930 -10.738
  226   1HD1  LEU  28          1HD1      LEU  28  -5.334  -1.727 -10.136
  227   2HD1  LEU  28          2HD1      LEU  28  -4.742  -2.336  -8.591
  228   3HD1  LEU  28          3HD1      LEU  28  -5.596  -3.415  -9.694
  229   1HD2  LEU  28          1HD2      LEU  28  -2.450  -2.385 -12.001
  230   2HD2  LEU  28          2HD2      LEU  28  -2.873  -1.047 -10.934
  231   3HD2  LEU  28          3HD2      LEU  28  -4.097  -1.758 -11.985
  232    H    ASN  29           H        ASN  29   0.090  -4.135  -8.639
  233    HA   ASN  29           HA       ASN  29   0.433  -6.858  -9.642
  234   1HB   ASN  29          2HB       ASN  29   0.733  -4.408 -11.199
  235   2HB   ASN  29          1HB       ASN  29   2.250  -5.300 -11.108
  236   1HD2  ASN  29          1HD2      ASN  29  -0.905  -5.171 -12.418
  237   2HD2  ASN  29          2HD2      ASN  29  -0.807  -6.598 -13.388
  238    H    MET  30           H        MET  30   2.209  -7.789  -8.650
  239    HA   MET  30           HA       MET  30   4.131  -5.994  -7.314
  240   1HB   MET  30          2HB       MET  30   4.255  -7.808  -5.556
  241   2HB   MET  30          1HB       MET  30   2.858  -6.755  -5.559
  242   1HG   MET  30          2HG       MET  30   1.757  -8.695  -5.318
  243   2HG   MET  30          1HG       MET  30   1.890  -8.726  -7.073
  244   1HE   MET  30          1HE       MET  30   3.625 -11.555  -4.053
  245   2HE   MET  30          2HE       MET  30   2.598 -10.144  -3.802
  246   3HE   MET  30          3HE       MET  30   4.348  -9.952  -3.923
  247    H    GLU  31           H        GLU  31   6.204  -6.272  -7.789
  248    HA   GLU  31           HA       GLU  31   7.059  -8.791  -9.103
  249   1HB   GLU  31          2HB       GLU  31   8.114  -6.025  -9.022
  250   2HB   GLU  31          1HB       GLU  31   9.321  -7.248  -8.649
  251   1HG   GLU  31          2HG       GLU  31   9.611  -7.200 -10.875
  252   2HG   GLU  31          1HG       GLU  31   8.273  -8.348 -10.844
  253    H    ASP  32           H        ASP  32   9.112  -9.694  -8.042
  254    HA   ASP  32           HA       ASP  32   8.504 -10.547  -5.536
  255   1HB   ASP  32          2HB       ASP  32  10.767 -10.765  -7.255
  256   2HB   ASP  32          1HB       ASP  32  11.319 -10.566  -5.594
  257    H    ASP  33           H        ASP  33  10.725  -7.749  -6.067
  258    HA   ASP  33           HA       ASP  33   9.859  -6.783  -3.503
  259   1HB   ASP  33          2HB       ASP  33  11.499  -8.687  -3.083
  260   2HB   ASP  33          1HB       ASP  33  12.752  -7.564  -3.602
  261    H    SER  34           H        SER  34   9.381  -4.929  -4.145
  262    HA   SER  34           HA       SER  34  11.484  -3.189  -5.264
  263   1HB   SER  34          2HB       SER  34   8.686  -3.587  -6.054
  264   2HB   SER  34          1HB       SER  34   9.206  -1.905  -5.964
  265    HG   SER  34           HG       SER  34   9.842  -2.444  -7.939
  266    H    ASN  35           H        ASN  35  11.314  -0.917  -4.773
  267    HA   ASN  35           HA       ASN  35  10.702  -0.416  -1.988
  268   1HB   ASN  35          2HB       ASN  35  12.770   0.385  -3.209
  269   2HB   ASN  35          1HB       ASN  35  11.728   1.514  -4.070
  270   1HD2  ASN  35          1HD2      ASN  35  11.604   3.449  -3.243
  271   2HD2  ASN  35          2HD2      ASN  35  11.870   3.879  -1.592
  272    H    TRP  36           H        TRP  36   9.379   0.375  -5.134
  273    HA   TRP  36           HA       TRP  36   7.328   2.068  -3.844
  274   1HB   TRP  36          2HB       TRP  36   8.720   2.251  -6.479
  275   2HB   TRP  36          1HB       TRP  36   7.069   2.832  -6.356
  276    HD1  TRP  36           HD1      TRP  36   7.430   4.068  -3.352
  277    HE1  TRP  36           HE1      TRP  36   8.732   6.282  -3.118
  278    HE3  TRP  36           HE3      TRP  36   9.992   3.965  -7.769
  279    HZ2  TRP  36           HZ2      TRP  36  10.602   7.780  -4.618
  280    HZ3  TRP  36           HZ3      TRP  36  11.515   5.823  -8.297
  281    HH2  TRP  36           HH2      TRP  36  11.813   7.691  -6.753
  282    H    TYR  37           H        TYR  37   5.334   1.225  -3.784
  283    HA   TYR  37           HA       TYR  37   4.729  -0.860  -5.767
  284   1HB   TYR  37          2HB       TYR  37   4.260  -0.723  -2.844
  285   2HB   TYR  37          1HB       TYR  37   3.027  -1.516  -3.822
  286    HD1  TYR  37           HD1      TYR  37   6.769  -1.450  -3.689
  287    HD2  TYR  37           HD2      TYR  37   3.234  -3.796  -3.969
  288    HE1  TYR  37           HE1      TYR  37   8.130  -3.495  -3.785
  289    HE2  TYR  37           HE2      TYR  37   4.593  -5.843  -4.061
  290    HH   TYR  37           HH       TYR  37   7.840  -5.937  -3.258
  291    H    ARG  38           H        ARG  38   2.744  -0.944  -6.760
  292    HA   ARG  38           HA       ARG  38   1.228   1.560  -6.685
  293   1HB   ARG  38          2HB       ARG  38   1.671  -0.578  -8.685
  294   2HB   ARG  38          1HB       ARG  38   0.031   0.050  -8.638
  295   1HG   ARG  38          2HG       ARG  38   2.378   1.893  -8.807
  296   2HG   ARG  38          1HG       ARG  38   1.721   1.123 -10.248
  297   1HD   ARG  38          2HD       ARG  38   0.168   2.847  -8.316
  298   2HD   ARG  38          1HD       ARG  38   0.784   3.364  -9.885
  299    HE   ARG  38           HE       ARG  38  -1.083   1.107  -9.739
  300   1HH1  ARG  38          1HH1      ARG  38  -0.417   4.396 -10.734
  301   2HH1  ARG  38          2HH1      ARG  38  -1.778   4.467 -11.800
  302   1HH2  ARG  38          1HH2      ARG  38  -2.855   1.210 -11.137
  303   2HH2  ARG  38          2HH2      ARG  38  -3.158   2.658 -12.036
  304    H    ALA  39           H        ALA  39  -0.285   1.601  -5.174
  305    HA   ALA  39           HA       ALA  39  -1.815  -0.851  -4.636
  306   1HB   ALA  39          1HB       ALA  39  -0.559   1.020  -2.877
  307   2HB   ALA  39          2HB       ALA  39  -1.350  -0.501  -2.487
  308   3HB   ALA  39          3HB       ALA  39  -2.289   0.990  -2.560
  309    H    GLU  40           H        GLU  40  -4.031  -0.357  -3.674
  310    HA   GLU  40           HA       GLU  40  -5.292   1.829  -5.141
  311   1HB   GLU  40          2HB       GLU  40  -6.314   0.440  -6.565
  312   2HB   GLU  40          1HB       GLU  40  -5.446  -0.903  -5.853
  313   1HG   GLU  40          2HG       GLU  40  -7.383  -0.944  -4.148
  314   2HG   GLU  40          1HG       GLU  40  -8.238   0.028  -5.334
  315    H    LEU  41           H        LEU  41  -7.308   2.540  -4.270
  316    HA   LEU  41           HA       LEU  41  -8.244   1.499  -1.749
  317   1HB   LEU  41          2HB       LEU  41  -6.233   2.744  -1.075
  318   2HB   LEU  41          1HB       LEU  41  -6.845   4.180  -1.869
  319    HG   LEU  41           HG       LEU  41  -8.769   4.157  -0.254
  320   1HD1  LEU  41          1HD1      LEU  41  -9.074   2.189   0.779
  321   2HD1  LEU  41          2HD1      LEU  41  -7.846   2.780   1.898
  322   3HD1  LEU  41          3HD1      LEU  41  -7.391   1.704   0.576
  323   1HD2  LEU  41          1HD2      LEU  41  -6.808   4.451   1.717
  324   2HD2  LEU  41          2HD2      LEU  41  -7.477   5.709   0.678
  325   3HD2  LEU  41          3HD2      LEU  41  -6.011   4.855   0.197
  326    H    ASP  42           H        ASP  42 -10.354   1.986  -1.506
  327    HA   ASP  42           HA       ASP  42 -12.426   2.763  -2.002
  328   1HB   ASP  42          2HB       ASP  42 -10.961   4.865  -1.160
  329   2HB   ASP  42          1HB       ASP  42 -11.429   5.454  -2.747
  330    H    GLY  43           H        GLY  43 -10.944   5.053  -4.256
  331   1HA   GLY  43          2HA       GLY  43 -11.797   3.411  -6.519
  332   2HA   GLY  43          1HA       GLY  43 -12.521   5.002  -6.338
  333    H    LYS  44           H        LYS  44  -9.240   4.716  -5.302
  334    HA   LYS  44           HA       LYS  44  -8.305   5.867  -7.844
  335   1HB   LYS  44          2HB       LYS  44  -7.913   6.828  -5.018
  336   2HB   LYS  44          1HB       LYS  44  -6.797   7.273  -6.300
  337   1HG   LYS  44          2HG       LYS  44  -9.089   7.952  -7.485
  338   2HG   LYS  44          1HG       LYS  44  -9.565   8.153  -5.799
  339   1HD   LYS  44          2HD       LYS  44  -7.537   9.569  -5.469
  340   2HD   LYS  44          1HD       LYS  44  -7.248   9.471  -7.207
  341   1HE   LYS  44          2HE       LYS  44  -8.400  11.544  -6.599
  342   2HE   LYS  44          1HE       LYS  44  -9.392  10.529  -7.644
  343   1HZ   LYS  44          1HZ       LYS  44 -10.956  10.868  -6.107
  344   2HZ   LYS  44          2HZ       LYS  44  -9.853  11.373  -4.929
  345   3HZ   LYS  44          3HZ       LYS  44 -10.126   9.726  -5.178
  346    H    GLU  45           H        GLU  45  -6.383   5.095  -8.564
  347    HA   GLU  45           HA       GLU  45  -4.966   3.196  -6.822
  348   1HB   GLU  45          2HB       GLU  45  -4.015   2.263  -8.882
  349   2HB   GLU  45          1HB       GLU  45  -5.774   2.233  -8.914
  350   1HG   GLU  45          2HG       GLU  45  -5.168   4.651 -10.068
  351   2HG   GLU  45          1HG       GLU  45  -3.900   3.591 -10.660
  352    H    GLY  46           H        GLY  46  -2.849   3.678  -6.162
  353   1HA   GLY  46          2HA       GLY  46  -1.288   5.489  -7.782
  354   2HA   GLY  46          1HA       GLY  46  -1.865   6.215  -6.300
  355    H    LEU  47           H        LEU  47   0.813   5.884  -7.150
  356    HA   LEU  47           HA       LEU  47   2.252   3.783  -6.087
  357   1HB   LEU  47          2HB       LEU  47   2.735   6.400  -7.130
  358   2HB   LEU  47          1HB       LEU  47   3.738   6.173  -5.714
  359    HG   LEU  47           HG       LEU  47   4.929   5.590  -7.758
  360   1HD1  LEU  47          1HD1      LEU  47   5.189   3.007  -7.052
  361   2HD1  LEU  47          2HD1      LEU  47   4.416   3.656  -5.609
  362   3HD1  LEU  47          3HD1      LEU  47   5.929   4.351  -6.182
  363   1HD2  LEU  47          1HD2      LEU  47   2.837   4.852  -8.971
  364   2HD2  LEU  47          2HD2      LEU  47   3.004   3.319  -8.118
  365   3HD2  LEU  47          3HD2      LEU  47   4.274   3.860  -9.213
  366    H    ILE  48           H        ILE  48   3.330   3.446  -4.138
  367    HA   ILE  48           HA       ILE  48   3.016   5.265  -1.911
  368    HB   ILE  48           HB       ILE  48   2.157   3.182  -0.525
  369   1HG1  ILE  48          2HG1      ILE  48   0.289   2.130  -1.949
  370   2HG1  ILE  48          1HG1      ILE  48   1.278   2.587  -3.329
  371   1HG2  ILE  48          1HG2      ILE  48  -0.029   4.457  -2.020
  372   2HG2  ILE  48          2HG2      ILE  48   1.124   5.538  -1.236
  373   3HG2  ILE  48          3HG2      ILE  48   0.248   4.340  -0.282
  374   1HD1  ILE  48          1HD1      ILE  48   2.418   0.705  -3.065
  375   2HD1  ILE  48          2HD1      ILE  48   1.499   0.319  -1.617
  376   3HD1  ILE  48          3HD1      ILE  48   2.974   1.277  -1.496
  377    HA   PRO  49           HA       PRO  49   6.597   2.942  -0.570
  378   1HB   PRO  49          2HB       PRO  49   6.562   3.062   2.071
  379   2HB   PRO  49          1HB       PRO  49   6.520   4.543   1.104
  380   1HG   PRO  49          2HG       PRO  49   4.355   3.216   2.613
  381   2HG   PRO  49          1HG       PRO  49   4.572   4.930   2.261
  382   1HD   PRO  49          2HD       PRO  49   2.939   3.017   0.893
  383   2HD   PRO  49          1HD       PRO  49   3.169   4.733   0.491
  384    H    SER  50           H        SER  50   7.362   0.985  -0.484
  385    HA   SER  50           HA       SER  50   5.713  -1.276   0.213
  386   1HB   SER  50          2HB       SER  50   8.693  -1.470  -0.116
  387   2HB   SER  50          1HB       SER  50   7.441  -2.599  -0.636
  388    HG   SER  50           HG       SER  50   8.614  -0.732  -2.050
  389    H    ASN  51           H        ASN  51   8.115   0.685   1.788
  390    HA   ASN  51           HA       ASN  51   8.664  -1.034   3.966
  391   1HB   ASN  51          2HB       ASN  51   9.382   1.616   3.083
  392   2HB   ASN  51          1HB       ASN  51   9.063   1.615   4.812
  393   1HD2  ASN  51          1HD2      ASN  51  11.140   0.557   2.284
  394   2HD2  ASN  51          2HD2      ASN  51  12.379  -0.111   3.287
  395    H    TYR  52           H        TYR  52   5.901   0.884   3.290
  396    HA   TYR  52           HA       TYR  52   5.179   1.188   6.115
  397   1HB   TYR  52          2HB       TYR  52   4.024   2.211   3.545
  398   2HB   TYR  52          1HB       TYR  52   3.067   2.230   5.014
  399    HD1  TYR  52           HD1      TYR  52   2.828   4.568   5.268
  400    HD2  TYR  52           HD2      TYR  52   6.717   2.909   4.837
  401    HE1  TYR  52           HE1      TYR  52   3.800   6.738   5.859
  402    HE2  TYR  52           HE2      TYR  52   7.705   5.082   5.449
  403    HH   TYR  52           HH       TYR  52   6.113   7.916   5.378
  404    H    ILE  53           H        ILE  53   4.918  -1.087   3.680
  405    HA   ILE  53           HA       ILE  53   2.597  -2.355   4.956
  406    HB   ILE  53           HB       ILE  53   1.636  -2.989   2.923
  407   1HG1  ILE  53          2HG1      ILE  53   4.073  -2.247   1.316
  408   2HG1  ILE  53          1HG1      ILE  53   3.898  -3.854   2.008
  409   1HG2  ILE  53          1HG2      ILE  53   1.034  -0.866   2.600
  410   2HG2  ILE  53          2HG2      ILE  53   2.239  -0.856   1.325
  411   3HG2  ILE  53          3HG2      ILE  53   2.653  -0.250   2.926
  412   1HD1  ILE  53          1HD1      ILE  53   1.492  -3.316   0.673
  413   2HD1  ILE  53          2HD1      ILE  53   2.767  -4.440   0.203
  414   3HD1  ILE  53          3HD1      ILE  53   2.789  -2.782  -0.396
  415    H    GLU  54           H        GLU  54   2.505  -4.655   4.694
  416    HA   GLU  54           HA       GLU  54   4.922  -6.124   3.961
  417   1HB   GLU  54          2HB       GLU  54   4.554  -5.500   6.583
  418   2HB   GLU  54          1HB       GLU  54   3.664  -7.014   6.485
  419   1HG   GLU  54          2HG       GLU  54   5.523  -8.240   6.274
  420   2HG   GLU  54          1HG       GLU  54   6.300  -7.070   5.209
  421    H    MET  55           H        MET  55   4.455  -8.326   3.360
  422    HA   MET  55           HA       MET  55   1.827  -8.785   2.432
  423   1HB   MET  55          2HB       MET  55   4.353  -9.931   2.040
  424   2HB   MET  55          1HB       MET  55   3.344 -11.233   2.652
  425   1HG   MET  55          2HG       MET  55   3.003 -11.414   0.399
  426   2HG   MET  55          1HG       MET  55   1.650 -10.390   0.865
  427   1HE   MET  55          1HE       MET  55   5.421  -9.172   0.650
  428   2HE   MET  55          2HE       MET  55   5.525  -8.811  -1.071
  429   3HE   MET  55          3HE       MET  55   5.282 -10.473  -0.533
  430    H    LYS  56           H        LYS  56   0.082  -9.615   3.393
  431    HA   LYS  56           HA       LYS  56   0.225 -10.682   6.115
  432   1HB   LYS  56          2HB       LYS  56  -1.582  -9.056   5.231
  433   2HB   LYS  56          1HB       LYS  56  -2.241 -10.451   4.401
  434   1HG   LYS  56          2HG       LYS  56  -2.544 -11.612   6.499
  435   2HG   LYS  56          1HG       LYS  56  -1.794 -10.280   7.376
  436   1HD   LYS  56          2HD       LYS  56  -3.676  -9.040   7.331
  437   2HD   LYS  56          1HD       LYS  56  -4.042  -9.491   5.663
  438   1HE   LYS  56          2HE       LYS  56  -4.344 -11.765   7.393
  439   2HE   LYS  56          1HE       LYS  56  -5.286 -10.407   8.008
  440   1HZ   LYS  56          1HZ       LYS  56  -6.713 -10.532   6.308
  441   2HZ   LYS  56          2HZ       LYS  56  -6.105 -12.095   6.088
  442   3HZ   LYS  56          3HZ       LYS  56  -5.502 -10.816   5.160
  443    H    ASN  57           H        ASN  57   1.511 -12.234   4.167
  444    HA   ASN  57           HA       ASN  57   1.716 -14.624   4.280
  445   1HB   ASN  57          2HB       ASN  57  -1.296 -14.526   4.039
  446   2HB   ASN  57          1HB       ASN  57  -0.375 -15.963   3.623
  447   1HD2  ASN  57          1HD2      ASN  57  -0.049 -13.601   6.241
  448   2HD2  ASN  57          2HD2      ASN  57  -0.124 -14.748   7.517
  449    H    HIS  58           H        HIS  58   2.763 -15.114   2.492
  450    HA   HIS  58           HA       HIS  58   1.566 -14.284  -0.061
  451   1HB   HIS  58          2HB       HIS  58   4.010 -14.132  -0.852
  452   2HB   HIS  58          1HB       HIS  58   3.439 -12.883   0.238
  453    HD1  HIS  58           HD1      HIS  58   5.902 -15.626  -0.036
  454    HD2  HIS  58           HD2      HIS  58   4.492 -13.026   2.881
  455    HE1  HIS  58           HE1      HIS  58   7.523 -15.815   1.872
  456    HE2  HIS  58           HE2      HIS  58   6.591 -14.317   3.667
  457    H    ASP  59           H        ASP  59   4.246 -15.811  -1.040
  458    HA   ASP  59           HA       ASP  59   2.774 -18.291  -1.455
  459   1HB   ASP  59          2HB       ASP  59   5.422 -17.524  -2.683
  460   2HB   ASP  59          1HB       ASP  59   4.286 -18.746  -3.243