*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   27-JUN-06   2HGK              
*TITLE     SOLUTION NMR STRUCTURE OF PROTEIN YQCC FROM E. COLI:                  
*TITLE    2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER225                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HYPOTHETICAL PROTEIN YQCC;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: YQCC;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET21                                     
*KEYWDS    HELICAL BUNDLE, STRUCTURAL GENOMICS, PSI-2, PROTEIN                   
*KEYWDS   2 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS                  
*KEYWDS   3 CONSORTIUM, NESG                                                     
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.R.CORT, D.WANG, K.SHETTY, K.CUNNINGHAM, G.V.T.SWAPNA,               
*AUTHOR   2 M.A.KENNEDY, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)         
*REVDAT   1   05-JUN-07 2HGK    0                                                


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 assign (segid  A and resid   3 and name HB   ) (segid  A and resid   4 and name HN   )  4.00  2.20  1.00
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 assign (segid  A and resid   4 and name HA   ) (segid  A and resid  69 and name HD2# )  4.00  2.20  1.00
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 assign (segid  A and resid   4 and name HN   ) (segid  A and resid   4 and name HA   )  4.00  2.20  1.00
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 assign (segid  A and resid   5 and name HA   ) (segid  A and resid   6 and name HN   )  4.00  2.20  1.00
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 assign (segid  A and resid   5 and name HA   ) (segid  A and resid   8 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid   5 and name HA   ) (segid  A and resid   8 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid   5 and name HA   ) (segid  A and resid   8 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   5 and name HA   ) (segid  A and resid   9 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid   5 and name HA   ) (segid  A and resid   9 and name HN   )  4.00  2.20  1.00
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 assign (segid  A and resid   5 and name HB#  ) (segid  A and resid   9 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid   5 and name HN   ) (segid  A and resid   5 and name HA   )  3.00  1.20  0.50
 assign (segid  A and resid   5 and name HN   ) (segid  A and resid   5 and name HB#  )  3.00  1.20  0.50
 assign (segid  A and resid   5 and name HN   ) (segid  A and resid   6 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid   5 and name HN   ) (segid  A and resid   7 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   6 and name HA   ) (segid  A and resid  10 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   6 and name HA   ) (segid  A and resid   6 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid   6 and name HA   ) (segid  A and resid   7 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   6 and name HA   ) (segid  A and resid   9 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid   6 and name HA   ) (segid  A and resid   9 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid   6 and name HA   ) (segid  A and resid   9 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid   6 and name HA   ) (segid  A and resid   9 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   6 and name HB#  ) (segid  A and resid   7 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid   6 and name HB#  ) (segid  A and resid   7 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   6 and name HD#  ) (segid  A and resid 103 and name HD## )  4.00  2.20  1.00
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 assign (segid  A and resid   6 and name HN   ) (segid  A and resid   6 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid   6 and name HN   ) (segid  A and resid   6 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid   6 and name HN   ) (segid  A and resid   6 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid   6 and name HN   ) (segid  A and resid   7 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid   6 and name HN   ) (segid  A and resid   7 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid   7 and name HA   ) (segid  A and resid 100 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid   7 and name HA   ) (segid  A and resid 103 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid   7 and name HA   ) (segid  A and resid 103 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid   7 and name HA   ) (segid  A and resid  10 and name HB#  )  4.00  2.20  1.00
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 assign (segid  A and resid   7 and name HA   ) (segid  A and resid  11 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   7 and name HA   ) (segid  A and resid   8 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   7 and name HB   ) (segid  A and resid  63 and name HD1# )  4.00  2.20  1.00
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 assign (segid  A and resid   7 and name HB   ) (segid  A and resid  69 and name HD2# )  4.00  2.20  1.00
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 assign (segid  A and resid   7 and name HG1# ) (segid  A and resid  59 and name HE#  )  4.00  2.20  1.00
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 assign (segid  A and resid   7 and name HG1# ) (segid  A and resid   8 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid   7 and name HG1# ) (segid  A and resid   8 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   7 and name HG2# ) (segid  A and resid 103 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   7 and name HG2# ) (segid  A and resid  69 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid   7 and name HG2# ) (segid  A and resid   8 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   7 and name HN   ) (segid  A and resid   7 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid   7 and name HN   ) (segid  A and resid   7 and name HB   )  4.00  2.20  1.00
 assign (segid  A and resid   7 and name HN   ) (segid  A and resid   7 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid   7 and name HN   ) (segid  A and resid   7 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid   7 and name HN   ) (segid  A and resid   8 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid   7 and name HN   ) (segid  A and resid   8 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid   7 and name HN   ) (segid  A and resid   9 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HA   ) (segid  A and resid  11 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HA   ) (segid  A and resid  11 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HA   ) (segid  A and resid  11 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HA   ) (segid  A and resid  12 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HA   ) (segid  A and resid  60 and name HE1  )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HA   ) (segid  A and resid  63 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HA   ) (segid  A and resid   8 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HA   ) (segid  A and resid   9 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HB#  ) (segid  A and resid  11 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HB#  ) (segid  A and resid  12 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HB#  ) (segid  A and resid  63 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HB#  ) (segid  A and resid  63 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HB#  ) (segid  A and resid   8 and name HE   )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HB#  ) (segid  A and resid   9 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HB#  ) (segid  A and resid   9 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HB#  ) (segid  A and resid   9 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HD#  ) (segid  A and resid  11 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HD#  ) (segid  A and resid  12 and name HE2# )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HD#  ) (segid  A and resid  12 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HD#  ) (segid  A and resid  60 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HD#  ) (segid  A and resid  60 and name HE1  )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HD#  ) (segid  A and resid  63 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HD#  ) (segid  A and resid   9 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HD#  ) (segid  A and resid   9 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HG1  ) (segid  A and resid  12 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HG2  ) (segid  A and resid  12 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HG#  ) (segid  A and resid  12 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HG#  ) (segid  A and resid  12 and name HE2# )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HG#  ) (segid  A and resid  60 and name HE1  )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HG#  ) (segid  A and resid   8 and name HE   )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HG#  ) (segid  A and resid   9 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HG#  ) (segid  A and resid   9 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HN   ) (segid  A and resid  63 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HN   ) (segid  A and resid  63 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HN   ) (segid  A and resid   8 and name HA   )  3.00  1.20  0.50
 assign (segid  A and resid   8 and name HN   ) (segid  A and resid   8 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HN   ) (segid  A and resid   8 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid   8 and name HN   ) (segid  A and resid   9 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid   9 and name HA   ) (segid  A and resid  10 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HA   ) (segid  A and resid  11 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HA   ) (segid  A and resid  12 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HA   ) (segid  A and resid  12 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HA   ) (segid  A and resid  12 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HA   ) (segid  A and resid  12 and name HE2# )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HA   ) (segid  A and resid  12 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HA   ) (segid  A and resid  12 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HA   ) (segid  A and resid  13 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HA   ) (segid  A and resid   9 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HA   ) (segid  A and resid   9 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HB#  ) (segid  A and resid  10 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HB#  ) (segid  A and resid  12 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HB#  ) (segid  A and resid  13 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HB#  ) (segid  A and resid   9 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HB#  ) (segid  A and resid   9 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HD1# ) (segid  A and resid  10 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HD2# ) (segid  A and resid  10 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HD2# ) (segid  A and resid  12 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HD2# ) (segid  A and resid  12 and name HE2# )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HD2# ) (segid  A and resid  12 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HG   ) (segid  A and resid  10 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HN   ) (segid  A and resid  10 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid   9 and name HN   ) (segid  A and resid   9 and name HA   )  3.00  1.20  0.50
 assign (segid  A and resid   9 and name HN   ) (segid  A and resid   9 and name HB#  )  3.00  1.20  1.00
 assign (segid  A and resid   9 and name HN   ) (segid  A and resid   9 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HN   ) (segid  A and resid   9 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid   9 and name HN   ) (segid  A and resid   9 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HA   ) (segid  A and resid 100 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HA   ) (segid  A and resid 103 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HA   ) (segid  A and resid  10 and name HE2# )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HA   ) (segid  A and resid  11 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HA   ) (segid  A and resid  13 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HA   ) (segid  A and resid  13 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HB#  ) (segid  A and resid 100 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HB#  ) (segid  A and resid 100 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HB#  ) (segid  A and resid 103 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HB#  ) (segid  A and resid  10 and name HE2# )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HB#  ) (segid  A and resid  11 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HE2# ) (segid  A and resid 100 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HE2# ) (segid  A and resid  13 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HE2# ) (segid  A and resid  96 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HE2# ) (segid  A and resid  96 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HE2# ) (segid  A and resid  99 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HE2# ) (segid  A and resid  99 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HG1  ) (segid  A and resid 100 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HG1  ) (segid  A and resid 103 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HG2  ) (segid  A and resid 100 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HG2  ) (segid  A and resid 103 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HG#  ) (segid  A and resid 100 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HG#  ) (segid  A and resid 100 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HG#  ) (segid  A and resid 100 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HN   ) (segid  A and resid 100 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HN   ) (segid  A and resid 103 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HN   ) (segid  A and resid  10 and name HA   )  3.00  1.20  0.50
 assign (segid  A and resid  10 and name HN   ) (segid  A and resid  10 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HN   ) (segid  A and resid  10 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  10 and name HN   ) (segid  A and resid  11 and name HN   )  3.00  1.20  0.50
 assign (segid  A and resid  10 and name HN   ) (segid  A and resid  12 and name HN   )  3.00  1.20  2.00
 assign (segid  A and resid  10 and name HN   ) (segid  A and resid  13 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HA   ) (segid  A and resid 100 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HA   ) (segid  A and resid  11 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HA   ) (segid  A and resid  11 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HA   ) (segid  A and resid  12 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HA   ) (segid  A and resid  13 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HA   ) (segid  A and resid  14 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HA   ) (segid  A and resid  14 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HA   ) (segid  A and resid  15 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HA   ) (segid  A and resid  56 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HB#  ) (segid  A and resid 100 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HB#  ) (segid  A and resid  11 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HB#  ) (segid  A and resid  11 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HB#  ) (segid  A and resid  12 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HB#  ) (segid  A and resid  60 and name HE1  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HB#  ) (segid  A and resid  63 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD1# ) (segid  A and resid  12 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD1# ) (segid  A and resid  56 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD1# ) (segid  A and resid  56 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD1# ) (segid  A and resid  56 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD1# ) (segid  A and resid  59 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD1# ) (segid  A and resid  59 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD1# ) (segid  A and resid  59 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD1# ) (segid  A and resid  59 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD1# ) (segid  A and resid  59 and name HG1  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD1# ) (segid  A and resid  59 and name HG2  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD1# ) (segid  A and resid  59 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD1# ) (segid  A and resid  59 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD1# ) (segid  A and resid  60 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD1# ) (segid  A and resid  60 and name HE1  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD1# ) (segid  A and resid  60 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD1# ) (segid  A and resid  63 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD1# ) (segid  A and resid   7 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD2# ) (segid  A and resid 100 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD2# ) (segid  A and resid 100 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD2# ) (segid  A and resid  12 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD2# ) (segid  A and resid  55 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD2# ) (segid  A and resid  55 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD2# ) (segid  A and resid  55 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD2# ) (segid  A and resid  56 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD2# ) (segid  A and resid  56 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD2# ) (segid  A and resid  56 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD2# ) (segid  A and resid  59 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD2# ) (segid  A and resid  59 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD2# ) (segid  A and resid  59 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD2# ) (segid  A and resid  59 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD2# ) (segid  A and resid  59 and name HG1  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD2# ) (segid  A and resid  59 and name HG2  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD2# ) (segid  A and resid  59 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD2# ) (segid  A and resid  59 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HD2# ) (segid  A and resid  60 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HG   ) (segid  A and resid 100 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HN   ) (segid  A and resid 100 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HN   ) (segid  A and resid  11 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HN   ) (segid  A and resid  11 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HN   ) (segid  A and resid  11 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HN   ) (segid  A and resid  11 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  11 and name HN   ) (segid  A and resid  12 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  12 and name HA   ) (segid  A and resid  13 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  12 and name HA   ) (segid  A and resid  15 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  12 and name HA   ) (segid  A and resid  15 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  12 and name HA   ) (segid  A and resid  15 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  12 and name HB#  ) (segid  A and resid  13 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  12 and name HB#  ) (segid  A and resid  13 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  12 and name HG1  ) (segid  A and resid  60 and name HE1  )  4.00  2.20  1.00
 assign (segid  A and resid  12 and name HG2  ) (segid  A and resid  60 and name HE1  )  4.00  2.20  1.00
 assign (segid  A and resid  12 and name HG#  ) (segid  A and resid  13 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  12 and name HG#  ) (segid  A and resid  60 and name HE1  )  4.00  2.20  1.00
 assign (segid  A and resid  12 and name HN   ) (segid  A and resid  12 and name HB#  )  3.00  1.20  0.50
 assign (segid  A and resid  12 and name HN   ) (segid  A and resid  12 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  12 and name HN   ) (segid  A and resid  13 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  13 and name HA   ) (segid  A and resid  16 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  13 and name HA   ) (segid  A and resid  16 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  13 and name HA   ) (segid  A and resid  17 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  13 and name HB#  ) (segid  A and resid  14 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  13 and name HB#  ) (segid  A and resid  96 and name HG1  )  4.00  2.20  1.00
 assign (segid  A and resid  13 and name HB#  ) (segid  A and resid  96 and name HG2  )  4.00  2.20  1.00
 assign (segid  A and resid  13 and name HB#  ) (segid  A and resid  96 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  13 and name HN   ) (segid  A and resid  13 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  13 and name HN   ) (segid  A and resid  14 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  13 and name HN   ) (segid  A and resid  15 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HA   ) (segid  A and resid  14 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HA   ) (segid  A and resid  14 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HA   ) (segid  A and resid  15 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HA   ) (segid  A and resid  17 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HA   ) (segid  A and resid  17 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HA   ) (segid  A and resid  17 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HA   ) (segid  A and resid  96 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HB#  ) (segid  A and resid  15 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HB#  ) (segid  A and resid  56 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HD1# ) (segid  A and resid  96 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HD1# ) (segid  A and resid  97 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HD2# ) (segid  A and resid  96 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HD2# ) (segid  A and resid  97 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HD## ) (segid  A and resid  15 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HD## ) (segid  A and resid  56 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HD## ) (segid  A and resid  56 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HD## ) (segid  A and resid  96 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HG   ) (segid  A and resid  15 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HN   ) (segid  A and resid  14 and name HB#  )  2.50  0.70  1.40
 assign (segid  A and resid  14 and name HN   ) (segid  A and resid  14 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HN   ) (segid  A and resid  14 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  14 and name HN   ) (segid  A and resid  15 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  15 and name HA   ) (segid  A and resid  16 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  15 and name HA   ) (segid  A and resid  17 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  15 and name HA   ) (segid  A and resid  18 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  15 and name HA   ) (segid  A and resid  18 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  15 and name HA   ) (segid  A and resid  18 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  15 and name HA   ) (segid  A and resid  18 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  15 and name HA   ) (segid  A and resid  19 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  15 and name HA   ) (segid  A and resid  24 and name HE3  )  4.00  2.20  1.00
 assign (segid  A and resid  15 and name HA   ) (segid  A and resid  24 and name HZ3  )  4.00  2.20  1.00
 assign (segid  A and resid  15 and name HA   ) (segid  A and resid  56 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  15 and name HB#  ) (segid  A and resid  16 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  15 and name HB#  ) (segid  A and resid  18 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  15 and name HB#  ) (segid  A and resid  56 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  15 and name HG#  ) (segid  A and resid  19 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  15 and name HN   ) (segid  A and resid  15 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  15 and name HN   ) (segid  A and resid  15 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  15 and name HN   ) (segid  A and resid  16 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  15 and name HN   ) (segid  A and resid  17 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  16 and name HA   ) (segid  A and resid  17 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  16 and name HA   ) (segid  A and resid  19 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  16 and name HA   ) (segid  A and resid  19 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  16 and name HA   ) (segid  A and resid  19 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  16 and name HA   ) (segid  A and resid  19 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  16 and name HA   ) (segid  A and resid  20 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  16 and name HB#  ) (segid  A and resid  17 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  16 and name HN   ) (segid  A and resid  16 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  16 and name HN   ) (segid  A and resid  17 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  17 and name HA   ) (segid  A and resid  17 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HA   ) (segid  A and resid  17 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HA   ) (segid  A and resid  18 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HA   ) (segid  A and resid  19 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HA   ) (segid  A and resid  20 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HA   ) (segid  A and resid  20 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HA   ) (segid  A and resid  20 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HA   ) (segid  A and resid  21 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HA   ) (segid  A and resid  21 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HB#  ) (segid  A and resid  17 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HB#  ) (segid  A and resid  17 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HB#  ) (segid  A and resid  18 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HB#  ) (segid  A and resid  96 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD1# ) (segid  A and resid  14 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD1# ) (segid  A and resid  17 and name HA   )  3.00  1.20  1.00
 assign (segid  A and resid  17 and name HD1# ) (segid  A and resid  21 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD1# ) (segid  A and resid  92 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD1# ) (segid  A and resid  92 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD1# ) (segid  A and resid  92 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD1# ) (segid  A and resid  92 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD1# ) (segid  A and resid  92 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD1# ) (segid  A and resid  92 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD1# ) (segid  A and resid  93 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD1# ) (segid  A and resid  93 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD1# ) (segid  A and resid  96 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD1# ) (segid  A and resid  96 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD1# ) (segid  A and resid  96 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD1# ) (segid  A and resid  96 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD2# ) (segid  A and resid  18 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD2# ) (segid  A and resid  18 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD2# ) (segid  A and resid  21 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD2# ) (segid  A and resid  21 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD2# ) (segid  A and resid  92 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD2# ) (segid  A and resid  92 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD2# ) (segid  A and resid  93 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD2# ) (segid  A and resid  93 and name HB   )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD2# ) (segid  A and resid  93 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD2# ) (segid  A and resid  93 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD2# ) (segid  A and resid  93 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD2# ) (segid  A and resid  93 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD2# ) (segid  A and resid  96 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD2# ) (segid  A and resid  96 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD2# ) (segid  A and resid  96 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HD2# ) (segid  A and resid  96 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HG   ) (segid  A and resid  18 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HN   ) (segid  A and resid  17 and name HB#  )  2.50  0.70  0.40
 assign (segid  A and resid  17 and name HN   ) (segid  A and resid  17 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HN   ) (segid  A and resid  17 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  17 and name HN   ) (segid  A and resid  18 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  18 and name HA   ) (segid  A and resid  18 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HA   ) (segid  A and resid  18 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HA   ) (segid  A and resid  21 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HA   ) (segid  A and resid  21 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HA   ) (segid  A and resid  22 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HA   ) (segid  A and resid  23 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HA   ) (segid  A and resid  23 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HB#  ) (segid  A and resid  19 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HB#  ) (segid  A and resid  19 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HB#  ) (segid  A and resid  23 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HB#  ) (segid  A and resid  24 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HB#  ) (segid  A and resid  24 and name HE3  )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD1# ) (segid  A and resid  24 and name HZ3  )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD1# ) (segid  A and resid  51 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD2# ) (segid  A and resid  23 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD2# ) (segid  A and resid  23 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD2# ) (segid  A and resid  23 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD2# ) (segid  A and resid  93 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD2# ) (segid  A and resid  93 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD## ) (segid  A and resid  19 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD## ) (segid  A and resid  21 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD## ) (segid  A and resid  23 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD## ) (segid  A and resid  23 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD## ) (segid  A and resid  23 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD## ) (segid  A and resid  23 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD## ) (segid  A and resid  24 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD## ) (segid  A and resid  24 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD## ) (segid  A and resid  24 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD## ) (segid  A and resid  24 and name HZ3  )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD## ) (segid  A and resid  48 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD## ) (segid  A and resid  51 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD## ) (segid  A and resid  51 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD## ) (segid  A and resid  93 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HD## ) (segid  A and resid  93 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HG   ) (segid  A and resid  19 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HN   ) (segid  A and resid  18 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HN   ) (segid  A and resid  18 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HN   ) (segid  A and resid  18 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  18 and name HN   ) (segid  A and resid  19 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  19 and name HA   ) (segid  A and resid  19 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  19 and name HA   ) (segid  A and resid  20 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  19 and name HA   ) (segid  A and resid  21 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  19 and name HA   ) (segid  A and resid  22 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  19 and name HA   ) (segid  A and resid  24 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  19 and name HA   ) (segid  A and resid  24 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  19 and name HA   ) (segid  A and resid  24 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  19 and name HB1  ) (segid  A and resid  19 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  19 and name HB#  ) (segid  A and resid  20 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  19 and name HB#  ) (segid  A and resid  20 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  19 and name HB#  ) (segid  A and resid  21 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  19 and name HG#  ) (segid  A and resid  19 and name HE   )  4.00  2.20  1.00
 assign (segid  A and resid  19 and name HG#  ) (segid  A and resid  20 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  19 and name HN   ) (segid  A and resid  19 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  19 and name HN   ) (segid  A and resid  19 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  19 and name HN   ) (segid  A and resid  19 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  19 and name HN   ) (segid  A and resid  20 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  19 and name HN   ) (segid  A and resid  21 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  20 and name HA   ) (segid  A and resid  21 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  20 and name HA   ) (segid  A and resid  22 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  20 and name HB#  ) (segid  A and resid  21 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  20 and name HB#  ) (segid  A and resid  21 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  20 and name HB#  ) (segid  A and resid  21 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  20 and name HB#  ) (segid  A and resid  21 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  20 and name HB#  ) (segid  A and resid  22 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  20 and name HG#  ) (segid  A and resid  21 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  20 and name HN   ) (segid  A and resid  20 and name HA   )  3.00  1.20  0.50
 assign (segid  A and resid  20 and name HN   ) (segid  A and resid  20 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  20 and name HN   ) (segid  A and resid  20 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  20 and name HN   ) (segid  A and resid  21 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  21 and name HA   ) (segid  A and resid  21 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  21 and name HA   ) (segid  A and resid  22 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  21 and name HA   ) (segid  A and resid  23 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  21 and name HB1  ) (segid  A and resid  23 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  21 and name HB2  ) (segid  A and resid  23 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  21 and name HB#  ) (segid  A and resid  21 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  21 and name HB#  ) (segid  A and resid  22 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  21 and name HB#  ) (segid  A and resid  23 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  21 and name HB#  ) (segid  A and resid  93 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  21 and name HD2  ) (segid  A and resid  92 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  21 and name HD2  ) (segid  A and resid  92 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  21 and name HN   ) (segid  A and resid  21 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  21 and name HN   ) (segid  A and resid  22 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  21 and name HN   ) (segid  A and resid  22 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  22 and name HA   ) (segid  A and resid  23 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  22 and name HA   ) (segid  A and resid  24 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  22 and name HA   ) (segid  A and resid  24 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  22 and name HA   ) (segid  A and resid  24 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  22 and name HB#  ) (segid  A and resid  22 and name HE2# )  4.00  2.20  1.00
 assign (segid  A and resid  22 and name HB#  ) (segid  A and resid  23 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  22 and name HG#  ) (segid  A and resid  22 and name HE2# )  4.00  2.20  1.00
 assign (segid  A and resid  22 and name HG#  ) (segid  A and resid  23 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  22 and name HN   ) (segid  A and resid  22 and name HA   )  3.00  1.20  0.50
 assign (segid  A and resid  22 and name HN   ) (segid  A and resid  22 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  22 and name HN   ) (segid  A and resid  22 and name HE2# )  4.00  2.20  1.00
 assign (segid  A and resid  22 and name HN   ) (segid  A and resid  22 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  22 and name HN   ) (segid  A and resid  23 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  23 and name HB#  ) (segid  A and resid  23 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  23 and name HN   ) (segid  A and resid  23 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  23 and name HN   ) (segid  A and resid  23 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  23 and name HN   ) (segid  A and resid  24 and name HN   )  3.00  1.20  1.00
 assign (segid  A and resid  24 and name HB#  ) (segid  A and resid  24 and name HD1  )  4.00  2.20  1.00
 assign (segid  A and resid  24 and name HB#  ) (segid  A and resid  24 and name HE3  )  4.00  2.20  1.00
 assign (segid  A and resid  24 and name HE3  ) (segid  A and resid  56 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  24 and name HH2  ) (segid  A and resid  56 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  24 and name HH2  ) (segid  A and resid  56 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  24 and name HH2  ) (segid  A and resid  57 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  24 and name HH2  ) (segid  A and resid  57 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  24 and name HN   ) (segid  A and resid  24 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  24 and name HN   ) (segid  A and resid  24 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  24 and name HZ3  ) (segid  A and resid  56 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  30 and name HA   ) (segid  A and resid  30 and name HE2# )  4.00  2.20  1.00
 assign (segid  A and resid  30 and name HB#  ) (segid  A and resid  31 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  30 and name HB#  ) (segid  A and resid  32 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  30 and name HB#  ) (segid  A and resid  33 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  30 and name HG#  ) (segid  A and resid  31 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  30 and name HN   ) (segid  A and resid  30 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  30 and name HN   ) (segid  A and resid  30 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  30 and name HN   ) (segid  A and resid  30 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  30 and name HN   ) (segid  A and resid  31 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  30 and name HN   ) (segid  A and resid  33 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  30 and name HN   ) (segid  A and resid  33 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  31 and name HA   ) (segid  A and resid  32 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  31 and name HA   ) (segid  A and resid  33 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  31 and name HA   ) (segid  A and resid  34 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  31 and name HA   ) (segid  A and resid  34 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  31 and name HB#  ) (segid  A and resid  32 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  31 and name HB#  ) (segid  A and resid  34 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  31 and name HD#  ) (segid  A and resid  32 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  31 and name HG#  ) (segid  A and resid  32 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  32 and name HA   ) (segid  A and resid  32 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  32 and name HA   ) (segid  A and resid  33 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  32 and name HA   ) (segid  A and resid  35 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  32 and name HA   ) (segid  A and resid  35 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  32 and name HA   ) (segid  A and resid  35 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  32 and name HB#  ) (segid  A and resid  32 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  32 and name HB#  ) (segid  A and resid  33 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  32 and name HB#  ) (segid  A and resid  35 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  32 and name HD2  ) (segid  A and resid  44 and name HB   )  4.00  2.20  1.00
 assign (segid  A and resid  32 and name HD2  ) (segid  A and resid  44 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  32 and name HN   ) (segid  A and resid  32 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  32 and name HN   ) (segid  A and resid  32 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  33 and name HA   ) (segid  A and resid  34 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  33 and name HA   ) (segid  A and resid  35 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  33 and name HA   ) (segid  A and resid  44 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  33 and name HA   ) (segid  A and resid  44 and name HB   )  4.00  2.20  1.00
 assign (segid  A and resid  33 and name HB#  ) (segid  A and resid  44 and name HB   )  4.00  2.20  1.00
 assign (segid  A and resid  33 and name HB#  ) (segid  A and resid  44 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  33 and name HG#  ) (segid  A and resid  44 and name HB   )  4.00  2.20  1.00
 assign (segid  A and resid  33 and name HG#  ) (segid  A and resid  44 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  33 and name HN   ) (segid  A and resid  33 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  33 and name HN   ) (segid  A and resid  33 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  33 and name HN   ) (segid  A and resid  33 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  33 and name HN   ) (segid  A and resid  34 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  33 and name HN   ) (segid  A and resid  44 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  34 and name HA   ) (segid  A and resid  41 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  34 and name HA   ) (segid  A and resid  41 and name HZ   )  4.00  2.20  1.00
 assign (segid  A and resid  34 and name HB1  ) (segid  A and resid  41 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  34 and name HB2  ) (segid  A and resid  41 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  34 and name HD#  ) (segid  A and resid  41 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  34 and name HD#  ) (segid  A and resid  41 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  34 and name HD#  ) (segid  A and resid  41 and name HZ   )  4.00  2.20  1.00
 assign (segid  A and resid  34 and name HD#  ) (segid  A and resid  54 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  34 and name HE#  ) (segid  A and resid  54 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  34 and name HE#  ) (segid  A and resid  54 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  34 and name HN   ) (segid  A and resid  34 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  34 and name HZ   ) (segid  A and resid  54 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  35 and name HA   ) (segid  A and resid  36 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  35 and name HA   ) (segid  A and resid  37 and name HB   )  4.00  2.20  1.00
 assign (segid  A and resid  35 and name HB#  ) (segid  A and resid  36 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  35 and name HN   ) (segid  A and resid  35 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  35 and name HN   ) (segid  A and resid  35 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  35 and name HN   ) (segid  A and resid  44 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  36 and name HA   ) (segid  A and resid  37 and name HN   )  3.00  1.20  0.50
 assign (segid  A and resid  36 and name HA   ) (segid  A and resid  44 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  36 and name HB1  ) (segid  A and resid  44 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  36 and name HB2  ) (segid  A and resid  44 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  36 and name HB#  ) (segid  A and resid  37 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  36 and name HB#  ) (segid  A and resid  41 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  36 and name HB#  ) (segid  A and resid  41 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  36 and name HB#  ) (segid  A and resid  43 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  37 and name HA   ) (segid  A and resid  38 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  37 and name HA   ) (segid  A and resid  41 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  37 and name HB   ) (segid  A and resid  38 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  37 and name HG2# ) (segid  A and resid  38 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  37 and name HN   ) (segid  A and resid  37 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  37 and name HN   ) (segid  A and resid  37 and name HB   )  4.00  2.20  1.00
 assign (segid  A and resid  37 and name HN   ) (segid  A and resid  37 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  37 and name HN   ) (segid  A and resid  38 and name HN   )  3.00  1.20  0.50
 assign (segid  A and resid  38 and name HA   ) (segid  A and resid  38 and name HE2# )  4.00  2.20  1.00
 assign (segid  A and resid  38 and name HA   ) (segid  A and resid  39 and name HD1  )  4.00  2.20  1.00
 assign (segid  A and resid  38 and name HA   ) (segid  A and resid  39 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  38 and name HB#  ) (segid  A and resid  39 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  38 and name HB#  ) (segid  A and resid  39 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  38 and name HB#  ) (segid  A and resid  41 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  38 and name HB#  ) (segid  A and resid  42 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  38 and name HB#  ) (segid  A and resid  42 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  38 and name HB#  ) (segid  A and resid  42 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  38 and name HB#  ) (segid  A and resid  42 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  38 and name HB#  ) (segid  A and resid  43 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  38 and name HE2# ) (segid  A and resid  42 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  38 and name HG#  ) (segid  A and resid  39 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  38 and name HG#  ) (segid  A and resid  42 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  38 and name HN   ) (segid  A and resid  38 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  39 and name HA   ) (segid  A and resid  40 and name HN   )  3.00  1.20  0.50
 assign (segid  A and resid  39 and name HA   ) (segid  A and resid  41 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  39 and name HB1  ) (segid  A and resid  40 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  39 and name HB2  ) (segid  A and resid  40 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  39 and name HB#  ) (segid  A and resid  40 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  39 and name HB#  ) (segid  A and resid  42 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  39 and name HD1  ) (segid  A and resid  42 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  39 and name HD2  ) (segid  A and resid  42 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  39 and name HD#  ) (segid  A and resid  42 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HB#  ) (segid  A and resid  41 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HB#  ) (segid  A and resid  78 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HB#  ) (segid  A and resid  78 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HD#  ) (segid  A and resid  42 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HD#  ) (segid  A and resid  50 and name HE3  )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HD#  ) (segid  A and resid  50 and name HZ3  )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HD#  ) (segid  A and resid  75 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HD#  ) (segid  A and resid  78 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HE#  ) (segid  A and resid  42 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HE#  ) (segid  A and resid  50 and name HZ3  )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HE#  ) (segid  A and resid  75 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HE#  ) (segid  A and resid  75 and name HB   )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HE#  ) (segid  A and resid  75 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HE#  ) (segid  A and resid  75 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HE#  ) (segid  A and resid  78 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HE#  ) (segid  A and resid  79 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HN   ) (segid  A and resid  40 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HN   ) (segid  A and resid  40 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HN   ) (segid  A and resid  41 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HZ   ) (segid  A and resid  42 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HZ   ) (segid  A and resid  75 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HZ   ) (segid  A and resid  75 and name HB   )  4.00  2.20  1.00
 assign (segid  A and resid  40 and name HZ   ) (segid  A and resid  78 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  41 and name HB#  ) (segid  A and resid  44 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  41 and name HB#  ) (segid  A and resid  45 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  41 and name HB#  ) (segid  A and resid  50 and name HD1  )  4.00  2.20  1.00
 assign (segid  A and resid  41 and name HD#  ) (segid  A and resid  42 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  41 and name HD#  ) (segid  A and resid  50 and name HD1  )  4.00  2.20  1.00
 assign (segid  A and resid  41 and name HD#  ) (segid  A and resid  54 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  41 and name HE#  ) (segid  A and resid  54 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  41 and name HE#  ) (segid  A and resid  54 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  41 and name HN   ) (segid  A and resid  41 and name HA   )  2.00  0.20  0.70
 assign (segid  A and resid  41 and name HN   ) (segid  A and resid  41 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  41 and name HN   ) (segid  A and resid  41 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  41 and name HN   ) (segid  A and resid  42 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  41 and name HZ   ) (segid  A and resid  54 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  41 and name HZ   ) (segid  A and resid  54 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  42 and name HA   ) (segid  A and resid  42 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  42 and name HA   ) (segid  A and resid  43 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  42 and name HB#  ) (segid  A and resid  43 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  42 and name HB#  ) (segid  A and resid  78 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  42 and name HE#  ) (segid  A and resid  39 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  42 and name HE#  ) (segid  A and resid  39 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  42 and name HE#  ) (segid  A and resid  40 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  42 and name HE#  ) (segid  A and resid  40 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  42 and name HE#  ) (segid  A and resid  78 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  42 and name HG#  ) (segid  A and resid  42 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  42 and name HG#  ) (segid  A and resid  43 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  42 and name HN   ) (segid  A and resid  42 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  42 and name HN   ) (segid  A and resid  42 and name HB#  )  3.00  1.20  1.50
 assign (segid  A and resid  42 and name HN   ) (segid  A and resid  42 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  42 and name HN   ) (segid  A and resid  42 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  42 and name HN   ) (segid  A and resid  43 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  43 and name HA   ) (segid  A and resid  44 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  43 and name HB#  ) (segid  A and resid  36 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  43 and name HN   ) (segid  A and resid  38 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  43 and name HN   ) (segid  A and resid  43 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  43 and name HN   ) (segid  A and resid  43 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  43 and name HN   ) (segid  A and resid  44 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  43 and name HN   ) (segid  A and resid  45 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  44 and name HA   ) (segid  A and resid  33 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  44 and name HB   ) (segid  A and resid  33 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  44 and name HB   ) (segid  A and resid  33 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  44 and name HG2# ) (segid  A and resid  33 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  44 and name HG2# ) (segid  A and resid  33 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  44 and name HG2# ) (segid  A and resid  36 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  44 and name HG2# ) (segid  A and resid  36 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  44 and name HG2# ) (segid  A and resid  45 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  44 and name HN   ) (segid  A and resid  44 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  44 and name HN   ) (segid  A and resid  44 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  44 and name HN   ) (segid  A and resid  45 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  45 and name HA   ) (segid  A and resid  46 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  45 and name HN   ) (segid  A and resid  45 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  45 and name HN   ) (segid  A and resid  45 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  45 and name HN   ) (segid  A and resid  45 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  46 and name HA   ) (segid  A and resid  47 and name HD1  )  4.00  2.20  1.00
 assign (segid  A and resid  46 and name HA   ) (segid  A and resid  47 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  46 and name HN   ) (segid  A and resid  46 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  46 and name HN   ) (segid  A and resid  46 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  47 and name HA   ) (segid  A and resid  50 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  47 and name HA   ) (segid  A and resid  78 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  47 and name HA   ) (segid  A and resid  79 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  47 and name HA   ) (segid  A and resid  82 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  47 and name HB1  ) (segid  A and resid  48 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  47 and name HB1  ) (segid  A and resid  78 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  47 and name HB1  ) (segid  A and resid  82 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  47 and name HB2  ) (segid  A and resid  48 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  47 and name HB2  ) (segid  A and resid  78 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  47 and name HB2  ) (segid  A and resid  82 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  47 and name HB#  ) (segid  A and resid  48 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  47 and name HD#  ) (segid  A and resid  48 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  47 and name HD#  ) (segid  A and resid  82 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  47 and name HG#  ) (segid  A and resid  48 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  47 and name HG#  ) (segid  A and resid  78 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  47 and name HG#  ) (segid  A and resid  82 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  48 and name HA   ) (segid  A and resid  51 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  48 and name HA   ) (segid  A and resid  51 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  48 and name HA   ) (segid  A and resid  51 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  48 and name HD## ) (segid  A and resid  79 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  48 and name HD## ) (segid  A and resid  83 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  48 and name HD## ) (segid  A and resid  93 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  48 and name HD## ) (segid  A and resid  93 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HA   ) (segid  A and resid  51 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HA   ) (segid  A and resid  54 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HA   ) (segid  A and resid  54 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HA   ) (segid  A and resid  54 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HB#  ) (segid  A and resid  50 and name HE3  )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HB#  ) (segid  A and resid  51 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HB#  ) (segid  A and resid  54 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HD1  ) (segid  A and resid  41 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HD1  ) (segid  A and resid  41 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HD1  ) (segid  A and resid  54 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HE1  ) (segid  A and resid  54 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HE3  ) (segid  A and resid  50 and name HB#  )  3.00  1.20  1.00
 assign (segid  A and resid  50 and name HE3  ) (segid  A and resid  51 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HE3  ) (segid  A and resid  51 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HE3  ) (segid  A and resid  55 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HE3  ) (segid  A and resid  75 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HE3  ) (segid  A and resid  79 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HH2  ) (segid  A and resid  55 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HH2  ) (segid  A and resid  55 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HH2  ) (segid  A and resid  55 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HH2  ) (segid  A and resid  75 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HN   ) (segid  A and resid  50 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HN   ) (segid  A and resid  50 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HZ2  ) (segid  A and resid  54 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HZ2  ) (segid  A and resid  55 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HZ3  ) (segid  A and resid  51 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HZ3  ) (segid  A and resid  75 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  50 and name HZ3  ) (segid  A and resid  79 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  51 and name HA   ) (segid  A and resid  55 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  51 and name HA   ) (segid  A and resid  55 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  51 and name HA   ) (segid  A and resid  55 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  51 and name HA   ) (segid  A and resid  56 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  51 and name HB#  ) (segid  A and resid  79 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  51 and name HD1# ) (segid  A and resid  79 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  51 and name HD2# ) (segid  A and resid  79 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  51 and name HD## ) (segid  A and resid  50 and name HE3  )  4.00  2.20  1.00
 assign (segid  A and resid  51 and name HD## ) (segid  A and resid  50 and name HZ3  )  4.00  2.20  1.00
 assign (segid  A and resid  51 and name HD## ) (segid  A and resid  55 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  51 and name HD## ) (segid  A and resid  79 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  51 and name HD## ) (segid  A and resid  93 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  51 and name HD## ) (segid  A and resid  97 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  51 and name HD## ) (segid  A and resid  97 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  51 and name HN   ) (segid  A and resid  51 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  51 and name HN   ) (segid  A and resid  51 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  53 and name HA   ) (segid  A and resid  54 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  53 and name HA   ) (segid  A and resid  57 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  53 and name HA   ) (segid  A and resid  57 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  53 and name HN   ) (segid  A and resid  54 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HA   ) (segid  A and resid  57 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HA   ) (segid  A and resid  57 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HA   ) (segid  A and resid  58 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HA   ) (segid  A and resid  58 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HA   ) (segid  A and resid  58 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HB   ) (segid  A and resid  55 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HG1# ) (segid  A and resid  41 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HG1# ) (segid  A and resid  41 and name HZ   )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HG1# ) (segid  A and resid  55 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HG1# ) (segid  A and resid  55 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HG1# ) (segid  A and resid  55 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HG1# ) (segid  A and resid  58 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HG1# ) (segid  A and resid  58 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HG1# ) (segid  A and resid  58 and name HD1  )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HG1# ) (segid  A and resid  58 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HG1# ) (segid  A and resid  58 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HG2# ) (segid  A and resid  41 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HG2# ) (segid  A and resid  41 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HG2# ) (segid  A and resid  41 and name HZ   )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HG2# ) (segid  A and resid  58 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HN   ) (segid  A and resid  54 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HN   ) (segid  A and resid  54 and name HB   )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HN   ) (segid  A and resid  54 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HN   ) (segid  A and resid  54 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HN   ) (segid  A and resid  55 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  54 and name HN   ) (segid  A and resid  55 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  54 and name HN   ) (segid  A and resid  57 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HA   ) (segid  A and resid  55 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HA   ) (segid  A and resid  55 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HA   ) (segid  A and resid  58 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HA   ) (segid  A and resid  58 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HA   ) (segid  A and resid  59 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HA   ) (segid  A and resid  59 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HB#  ) (segid  A and resid  55 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HB#  ) (segid  A and resid  55 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HB#  ) (segid  A and resid  56 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HB#  ) (segid  A and resid  73 and name HZ   )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HD1# ) (segid  A and resid 100 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HD1# ) (segid  A and resid 104 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HD1# ) (segid  A and resid 104 and name HZ   )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HD1# ) (segid  A and resid  56 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HD1# ) (segid  A and resid  59 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HD1# ) (segid  A and resid  59 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HD1# ) (segid  A and resid  59 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HD1# ) (segid  A and resid  59 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HD1# ) (segid  A and resid  73 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HD1# ) (segid  A and resid  73 and name HZ   )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HD2# ) (segid  A and resid  56 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HD2# ) (segid  A and resid  59 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HD2# ) (segid  A and resid  59 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HD2# ) (segid  A and resid  73 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HD2# ) (segid  A and resid  97 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HG   ) (segid  A and resid  56 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HG   ) (segid  A and resid  56 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HG   ) (segid  A and resid  59 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HG   ) (segid  A and resid  59 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HG   ) (segid  A and resid  59 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HG   ) (segid  A and resid  73 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HG   ) (segid  A and resid  73 and name HZ   )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HN   ) (segid  A and resid  55 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HN   ) (segid  A and resid  55 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HN   ) (segid  A and resid  55 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  55 and name HN   ) (segid  A and resid  56 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  56 and name HA   ) (segid  A and resid  56 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HA   ) (segid  A and resid  59 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HA   ) (segid  A and resid  59 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HA   ) (segid  A and resid  60 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HA   ) (segid  A and resid  60 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HB   ) (segid  A and resid  57 and name HD1  )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HB   ) (segid  A and resid  57 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HB   ) (segid  A and resid  60 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HD1# ) (segid  A and resid  11 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HD1# ) (segid  A and resid  24 and name HE3  )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HD1# ) (segid  A and resid  24 and name HH2  )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HD1# ) (segid  A and resid  24 and name HZ3  )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HD1# ) (segid  A and resid  57 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HG11 ) (segid  A and resid  56 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HG12 ) (segid  A and resid  56 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HG2# ) (segid  A and resid  11 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HG2# ) (segid  A and resid  11 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HG2# ) (segid  A and resid  57 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HG2# ) (segid  A and resid  57 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HG2# ) (segid  A and resid  57 and name HD1  )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HG2# ) (segid  A and resid  57 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HG2# ) (segid  A and resid  57 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HG2# ) (segid  A and resid  60 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HG2# ) (segid  A and resid  60 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HG2# ) (segid  A and resid  60 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HN   ) (segid  A and resid  56 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HN   ) (segid  A and resid  56 and name HB   )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HN   ) (segid  A and resid  56 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HN   ) (segid  A and resid  56 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HN   ) (segid  A and resid  56 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HN   ) (segid  A and resid  57 and name HD1  )  4.00  2.20  1.00
 assign (segid  A and resid  56 and name HN   ) (segid  A and resid  57 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  57 and name HA   ) (segid  A and resid  56 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  57 and name HA   ) (segid  A and resid  58 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  57 and name HA   ) (segid  A and resid  60 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  57 and name HA   ) (segid  A and resid  60 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  57 and name HA   ) (segid  A and resid  60 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  57 and name HB#  ) (segid  A and resid  58 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  57 and name HB#  ) (segid  A and resid  60 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  57 and name HD1  ) (segid  A and resid  58 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  57 and name HD2  ) (segid  A and resid  58 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  57 and name HG#  ) (segid  A and resid  58 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  58 and name HA   ) (segid  A and resid  58 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  58 and name HA   ) (segid  A and resid  59 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  58 and name HA   ) (segid  A and resid  61 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  58 and name HA   ) (segid  A and resid  61 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  58 and name HA   ) (segid  A and resid  61 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  58 and name HA   ) (segid  A and resid  61 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  58 and name HB#  ) (segid  A and resid  59 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  58 and name HD#  ) (segid  A and resid  59 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  58 and name HG#  ) (segid  A and resid  58 and name HE   )  4.00  2.20  1.00
 assign (segid  A and resid  58 and name HG#  ) (segid  A and resid  61 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  58 and name HN   ) (segid  A and resid  58 and name HA   )  3.00  1.20  0.50
 assign (segid  A and resid  58 and name HN   ) (segid  A and resid  58 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  58 and name HN   ) (segid  A and resid  58 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  58 and name HN   ) (segid  A and resid  58 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  58 and name HN   ) (segid  A and resid  59 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  58 and name HN   ) (segid  A and resid  60 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HA   ) (segid  A and resid  60 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HA   ) (segid  A and resid  62 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HA   ) (segid  A and resid  62 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HA   ) (segid  A and resid  62 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HA   ) (segid  A and resid  62 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HA   ) (segid  A and resid  62 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HB#  ) (segid  A and resid 104 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HB#  ) (segid  A and resid 104 and name HZ   )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HB#  ) (segid  A and resid  59 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HB#  ) (segid  A and resid  60 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HB#  ) (segid  A and resid  63 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HE#  ) (segid  A and resid 104 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HE#  ) (segid  A and resid 104 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HE#  ) (segid  A and resid 104 and name HZ   )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HE#  ) (segid  A and resid  69 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HE#  ) (segid  A and resid  70 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HE#  ) (segid  A and resid  70 and name HD1  )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HE#  ) (segid  A and resid  70 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HE#  ) (segid  A and resid  70 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HE#  ) (segid  A and resid  70 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HE#  ) (segid  A and resid  73 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HE#  ) (segid  A and resid  73 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HE#  ) (segid  A and resid  73 and name HZ   )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HE#  ) (segid  A and resid   7 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HG#  ) (segid  A and resid 104 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HG#  ) (segid  A and resid 104 and name HZ   )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HG#  ) (segid  A and resid  59 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HG#  ) (segid  A and resid  60 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HG#  ) (segid  A and resid  63 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HN   ) (segid  A and resid  59 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HN   ) (segid  A and resid  59 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HN   ) (segid  A and resid  59 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HN   ) (segid  A and resid  59 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  59 and name HN   ) (segid  A and resid  60 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  60 and name HA   ) (segid  A and resid  60 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  60 and name HA   ) (segid  A and resid  61 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  60 and name HA   ) (segid  A and resid  63 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  60 and name HA   ) (segid  A and resid  63 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  60 and name HA   ) (segid  A and resid  63 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  60 and name HA   ) (segid  A and resid  63 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  60 and name HA   ) (segid  A and resid  64 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  60 and name HB#  ) (segid  A and resid  60 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  60 and name HB#  ) (segid  A and resid  61 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  60 and name HD2  ) (segid  A and resid  63 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  60 and name HN   ) (segid  A and resid  11 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  60 and name HN   ) (segid  A and resid  60 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  60 and name HN   ) (segid  A and resid  60 and name HB#  )  3.00  1.20  0.50
 assign (segid  A and resid  60 and name HN   ) (segid  A and resid  60 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  60 and name HN   ) (segid  A and resid  61 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  60 and name HN   ) (segid  A and resid  61 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  60 and name HN   ) (segid  A and resid  62 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  61 and name HA   ) (segid  A and resid  64 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  61 and name HA   ) (segid  A and resid  64 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  61 and name HA   ) (segid  A and resid  64 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  61 and name HA   ) (segid  A and resid  64 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  61 and name HA   ) (segid  A and resid  65 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  61 and name HB#  ) (segid  A and resid  62 and name HN   )  3.00  1.20  0.50
 assign (segid  A and resid  61 and name HN   ) (segid  A and resid  61 and name HA   )  3.00  1.20  0.50
 assign (segid  A and resid  61 and name HN   ) (segid  A and resid  62 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  61 and name HN   ) (segid  A and resid  62 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  62 and name HA   ) (segid  A and resid  62 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HA   ) (segid  A and resid  62 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HA   ) (segid  A and resid  63 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HA   ) (segid  A and resid  65 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HA   ) (segid  A and resid  65 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HA   ) (segid  A and resid  67 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HA   ) (segid  A and resid  67 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HB#  ) (segid  A and resid  63 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HB#  ) (segid  A and resid  63 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HB#  ) (segid  A and resid  63 and name HN   )  3.00  1.20  0.50
 assign (segid  A and resid  62 and name HB#  ) (segid  A and resid  67 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HB#  ) (segid  A and resid  67 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HB#  ) (segid  A and resid  69 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD1# ) (segid  A and resid  63 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD1# ) (segid  A and resid  67 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD1# ) (segid  A and resid  69 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD1# ) (segid  A and resid  70 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD1# ) (segid  A and resid  70 and name HD1  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD1# ) (segid  A and resid  70 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD1# ) (segid  A and resid  70 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD1# ) (segid  A and resid  70 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD2# ) (segid  A and resid 104 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD2# ) (segid  A and resid 104 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD2# ) (segid  A and resid  59 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD2# ) (segid  A and resid  63 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD2# ) (segid  A and resid  67 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD2# ) (segid  A and resid  69 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD2# ) (segid  A and resid  69 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD2# ) (segid  A and resid  69 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD2# ) (segid  A and resid  69 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD2# ) (segid  A and resid  70 and name HD1  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD2# ) (segid  A and resid  70 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD2# ) (segid  A and resid  70 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HD2# ) (segid  A and resid  70 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HG   ) (segid  A and resid  63 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HG   ) (segid  A and resid  67 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HG   ) (segid  A and resid  67 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HG   ) (segid  A and resid  70 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HN   ) (segid  A and resid  62 and name HA   )  3.00  1.20  0.50
 assign (segid  A and resid  62 and name HN   ) (segid  A and resid  62 and name HB#  )  3.00  1.20  0.50
 assign (segid  A and resid  62 and name HN   ) (segid  A and resid  62 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HN   ) (segid  A and resid  62 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HN   ) (segid  A and resid  62 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  62 and name HN   ) (segid  A and resid  63 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  63 and name HA   ) (segid  A and resid  63 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HA   ) (segid  A and resid  63 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HA   ) (segid  A and resid  64 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HA   ) (segid  A and resid  66 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HA   ) (segid  A and resid  69 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HB#  ) (segid  A and resid  63 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HB#  ) (segid  A and resid  63 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HB#  ) (segid  A and resid  64 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HB#  ) (segid  A and resid  65 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HD1# ) (segid  A and resid 104 and name HZ   )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HD1# ) (segid  A and resid  11 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HD1# ) (segid  A and resid  64 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HD1# ) (segid  A and resid   7 and name HB   )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HD1# ) (segid  A and resid   7 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HD1# ) (segid  A and resid   8 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HD1# ) (segid  A and resid   8 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HD1# ) (segid  A and resid   8 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HN   ) (segid  A and resid  63 and name HA   )  3.00  1.20  0.50
 assign (segid  A and resid  63 and name HN   ) (segid  A and resid  63 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HN   ) (segid  A and resid  63 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HN   ) (segid  A and resid  63 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HN   ) (segid  A and resid  63 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  63 and name HN   ) (segid  A and resid  64 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  63 and name HN   ) (segid  A and resid  69 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  64 and name HA   ) (segid  A and resid  65 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  64 and name HB#  ) (segid  A and resid  65 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  64 and name HN   ) (segid  A and resid  64 and name HA   )  3.00  1.20  0.50
 assign (segid  A and resid  64 and name HN   ) (segid  A and resid  64 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  64 and name HN   ) (segid  A and resid  65 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  65 and name HA   ) (segid  A and resid  65 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  65 and name HA   ) (segid  A and resid  66 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  65 and name HA   ) (segid  A and resid  66 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  65 and name HA   ) (segid  A and resid  67 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  65 and name HB1  ) (segid  A and resid  67 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  65 and name HB2  ) (segid  A and resid  67 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  65 and name HB#  ) (segid  A and resid  66 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  65 and name HB#  ) (segid  A and resid  67 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  65 and name HB#  ) (segid  A and resid  67 and name HE2# )  4.00  2.20  1.00
 assign (segid  A and resid  65 and name HN   ) (segid  A and resid  65 and name HA   )  3.00  1.20  0.50
 assign (segid  A and resid  65 and name HN   ) (segid  A and resid  65 and name HB#  )  3.00  1.20  0.50
 assign (segid  A and resid  65 and name HN   ) (segid  A and resid  66 and name HN   )  2.50  0.70  0.20
 assign (segid  A and resid  65 and name HN   ) (segid  A and resid  67 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  66 and name HA   ) (segid  A and resid  66 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  66 and name HA   ) (segid  A and resid  67 and name HN   )  3.00  1.20  0.50
 assign (segid  A and resid  66 and name HB1  ) (segid  A and resid  66 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  66 and name HB#  ) (segid  A and resid  66 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  66 and name HB#  ) (segid  A and resid  67 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  66 and name HN   ) (segid  A and resid  66 and name HA   )  2.50  0.70  0.40
 assign (segid  A and resid  66 and name HN   ) (segid  A and resid  66 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  66 and name HN   ) (segid  A and resid  66 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  66 and name HN   ) (segid  A and resid  66 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  67 and name HA   ) (segid  A and resid  67 and name HE2# )  4.00  2.20  1.00
 assign (segid  A and resid  67 and name HB#  ) (segid  A and resid  68 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  67 and name HE2# ) (segid  A and resid  68 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  67 and name HG#  ) (segid  A and resid  68 and name HD1  )  4.00  2.20  1.00
 assign (segid  A and resid  67 and name HG#  ) (segid  A and resid  68 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  67 and name HN   ) (segid  A and resid  67 and name HA   )  3.00  1.20  0.50
 assign (segid  A and resid  67 and name HN   ) (segid  A and resid  67 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  67 and name HN   ) (segid  A and resid  67 and name HE2# )  4.00  2.20  1.00
 assign (segid  A and resid  67 and name HN   ) (segid  A and resid  67 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  67 and name HN   ) (segid  A and resid  68 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  68 and name HA   ) (segid  A and resid  69 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  68 and name HB#  ) (segid  A and resid  69 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  68 and name HD#  ) (segid  A and resid  69 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  68 and name HG#  ) (segid  A and resid  69 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HA   ) (segid  A and resid 104 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HA   ) (segid  A and resid  62 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HA   ) (segid  A and resid  62 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HA   ) (segid  A and resid  69 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HA   ) (segid  A and resid  69 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HA   ) (segid  A and resid  70 and name HD1  )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HA   ) (segid  A and resid  70 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HB#  ) (segid  A and resid 104 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HB#  ) (segid  A and resid 104 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HB#  ) (segid  A and resid  69 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HB#  ) (segid  A and resid  70 and name HD1  )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HB#  ) (segid  A and resid  70 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HB#  ) (segid  A and resid  70 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HD1# ) (segid  A and resid 104 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HD1# ) (segid  A and resid 104 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HD1# ) (segid  A and resid 104 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HD1# ) (segid  A and resid 107 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HD1# ) (segid  A and resid   3 and name HB   )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HD1# ) (segid  A and resid   3 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HD1# ) (segid  A and resid  70 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HD1# ) (segid  A and resid   7 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HD2# ) (segid  A and resid 104 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HD2# ) (segid  A and resid 104 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HD2# ) (segid  A and resid 104 and name HZ   )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HD2# ) (segid  A and resid  69 and name HA   )  3.00  1.20  1.00
 assign (segid  A and resid  69 and name HD2# ) (segid  A and resid  70 and name HD1  )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HD2# ) (segid  A and resid  70 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HN   ) (segid  A and resid  69 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HN   ) (segid  A and resid  69 and name HB#  )  3.00  1.20  0.50
 assign (segid  A and resid  69 and name HN   ) (segid  A and resid  69 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HN   ) (segid  A and resid  69 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  69 and name HN   ) (segid  A and resid  69 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  70 and name HA   ) (segid  A and resid  71 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  70 and name HA   ) (segid  A and resid  72 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  70 and name HB#  ) (segid  A and resid  71 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  70 and name HB#  ) (segid  A and resid  72 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  70 and name HB#  ) (segid  A and resid  73 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  70 and name HB#  ) (segid  A and resid  73 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  70 and name HB#  ) (segid  A and resid  73 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  70 and name HB#  ) (segid  A and resid  73 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  70 and name HD1  ) (segid  A and resid 104 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  70 and name HD2  ) (segid  A and resid 104 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  70 and name HD#  ) (segid  A and resid 104 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  70 and name HD#  ) (segid  A and resid  71 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  70 and name HG#  ) (segid  A and resid 104 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  70 and name HG#  ) (segid  A and resid 104 and name HZ   )  4.00  2.20  1.00
 assign (segid  A and resid  70 and name HG#  ) (segid  A and resid  71 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  70 and name HG#  ) (segid  A and resid  73 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  70 and name HG#  ) (segid  A and resid  73 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  71 and name HA#  ) (segid  A and resid  72 and name HN   )  3.00  1.20  0.50
 assign (segid  A and resid  71 and name HN   ) (segid  A and resid  72 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  71 and name HN   ) (segid  A and resid  73 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  72 and name HA   ) (segid  A and resid 104 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  72 and name HA   ) (segid  A and resid  73 and name HN   )  3.00  1.20  0.00
 assign (segid  A and resid  72 and name HB#  ) (segid  A and resid  73 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  72 and name HN   ) (segid  A and resid 104 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  72 and name HN   ) (segid  A and resid  72 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  72 and name HN   ) (segid  A and resid  72 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  72 and name HN   ) (segid  A and resid  73 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  73 and name HA   ) (segid  A and resid  74 and name HN   )  2.50  0.70  0.00
 assign (segid  A and resid  73 and name HB#  ) (segid  A and resid 104 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  73 and name HB#  ) (segid  A and resid  74 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  73 and name HD#  ) (segid  A and resid 101 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  73 and name HD#  ) (segid  A and resid 104 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  73 and name HD#  ) (segid  A and resid 104 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  73 and name HD#  ) (segid  A and resid 104 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  73 and name HD#  ) (segid  A and resid  74 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  73 and name HD#  ) (segid  A and resid  74 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  73 and name HD#  ) (segid  A and resid  75 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  73 and name HD#  ) (segid  A and resid  75 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  73 and name HE#  ) (segid  A and resid 100 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  73 and name HN   ) (segid  A and resid 104 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  73 and name HN   ) (segid  A and resid  73 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  73 and name HN   ) (segid  A and resid  73 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  74 and name HA   ) (segid  A and resid 101 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  74 and name HA   ) (segid  A and resid  75 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  74 and name HA   ) (segid  A and resid  75 and name HN   )  3.00  1.20  0.00
 assign (segid  A and resid  74 and name HA   ) (segid  A and resid  76 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  74 and name HA   ) (segid  A and resid  77 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  74 and name HB#  ) (segid  A and resid 101 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  74 and name HB#  ) (segid  A and resid 101 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  74 and name HB#  ) (segid  A and resid  75 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  74 and name HB#  ) (segid  A and resid  75 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  74 and name HB#  ) (segid  A and resid  77 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  74 and name HB#  ) (segid  A and resid  77 and name HD1  )  4.00  2.20  1.00
 assign (segid  A and resid  74 and name HB#  ) (segid  A and resid  77 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  74 and name HB#  ) (segid  A and resid  77 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  74 and name HN   ) (segid  A and resid  74 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  74 and name HN   ) (segid  A and resid  74 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  74 and name HN   ) (segid  A and resid  75 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HA   ) (segid  A and resid  40 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HA   ) (segid  A and resid  40 and name HZ   )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HA   ) (segid  A and resid  77 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HA   ) (segid  A and resid  78 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HA   ) (segid  A and resid  78 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HB   ) (segid  A and resid  40 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HB   ) (segid  A and resid  40 and name HZ   )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HB   ) (segid  A and resid  79 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HB   ) (segid  A and resid  79 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HB   ) (segid  A and resid  97 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HG1# ) (segid  A and resid  40 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HG1# ) (segid  A and resid  73 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HG1# ) (segid  A and resid  73 and name HZ   )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HG1# ) (segid  A and resid  76 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HG1# ) (segid  A and resid  79 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HG1# ) (segid  A and resid  97 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HG2# ) (segid  A and resid 100 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HG2# ) (segid  A and resid  40 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HG2# ) (segid  A and resid  76 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HG2# ) (segid  A and resid  76 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HG2# ) (segid  A and resid  76 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HG2# ) (segid  A and resid  79 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HG2# ) (segid  A and resid  79 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HG2# ) (segid  A and resid  79 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HG2# ) (segid  A and resid  94 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HG2# ) (segid  A and resid  97 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HG2# ) (segid  A and resid  97 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HG2# ) (segid  A and resid  97 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HN   ) (segid  A and resid  75 and name HB   )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HN   ) (segid  A and resid  75 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HN   ) (segid  A and resid  75 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HN   ) (segid  A and resid  76 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  75 and name HN   ) (segid  A and resid  76 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  76 and name HA   ) (segid  A and resid  79 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HA   ) (segid  A and resid  79 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HA   ) (segid  A and resid  79 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HA   ) (segid  A and resid  94 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HA   ) (segid  A and resid  97 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HA   ) (segid  A and resid  97 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HB#  ) (segid  A and resid  77 and name HD1  )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HB#  ) (segid  A and resid  77 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HB#  ) (segid  A and resid  77 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HB#  ) (segid  A and resid  79 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HB#  ) (segid  A and resid  94 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HB#  ) (segid  A and resid  97 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HB#  ) (segid  A and resid  97 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HB#  ) (segid  A and resid  97 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HB#  ) (segid  A and resid  97 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HB#  ) (segid  A and resid  98 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HB#  ) (segid  A and resid  98 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HB#  ) (segid  A and resid  98 and name HG1  )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HB#  ) (segid  A and resid  98 and name HG2  )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HB#  ) (segid  A and resid  98 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HN   ) (segid  A and resid  76 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HN   ) (segid  A and resid  76 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  76 and name HN   ) (segid  A and resid  77 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  77 and name HA   ) (segid  A and resid  78 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  77 and name HA   ) (segid  A and resid  80 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  77 and name HA   ) (segid  A and resid  80 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  77 and name HB#  ) (segid  A and resid  78 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  77 and name HB#  ) (segid  A and resid  78 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  77 and name HD#  ) (segid  A and resid  78 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HA   ) (segid  A and resid  78 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HA   ) (segid  A and resid  79 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HA   ) (segid  A and resid  80 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HA   ) (segid  A and resid  81 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HA   ) (segid  A and resid  81 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HA   ) (segid  A and resid  81 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HA   ) (segid  A and resid  81 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HA   ) (segid  A and resid  82 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HB#  ) (segid  A and resid  78 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HB#  ) (segid  A and resid  79 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HB#  ) (segid  A and resid  79 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HD#  ) (segid  A and resid  79 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HD#  ) (segid  A and resid  81 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HE#  ) (segid  A and resid  47 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HE#  ) (segid  A and resid  47 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HE#  ) (segid  A and resid  47 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HE#  ) (segid  A and resid  79 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HE#  ) (segid  A and resid  79 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HE#  ) (segid  A and resid  81 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HE#  ) (segid  A and resid  82 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HN   ) (segid  A and resid  78 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HN   ) (segid  A and resid  78 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HN   ) (segid  A and resid  79 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  78 and name HN   ) (segid  A and resid  79 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  79 and name HA   ) (segid  A and resid  80 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HA   ) (segid  A and resid  81 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HA   ) (segid  A and resid  82 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HA   ) (segid  A and resid  82 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HA   ) (segid  A and resid  83 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HA   ) (segid  A and resid  83 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HA   ) (segid  A and resid  83 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HA   ) (segid  A and resid  94 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HB1  ) (segid  A and resid  94 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HB1  ) (segid  A and resid  97 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HB2  ) (segid  A and resid  94 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HB2  ) (segid  A and resid  97 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HB#  ) (segid  A and resid  80 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HB#  ) (segid  A and resid  82 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HB#  ) (segid  A and resid  83 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HB#  ) (segid  A and resid  83 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HB#  ) (segid  A and resid  94 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HB#  ) (segid  A and resid  97 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HD#  ) (segid  A and resid  82 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HD#  ) (segid  A and resid  83 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HD#  ) (segid  A and resid  83 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HD#  ) (segid  A and resid  93 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HD#  ) (segid  A and resid  94 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HD#  ) (segid  A and resid  97 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HD#  ) (segid  A and resid  97 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HD#  ) (segid  A and resid  97 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HE#  ) (segid  A and resid  82 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HE#  ) (segid  A and resid  97 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HE#  ) (segid  A and resid  97 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HN   ) (segid  A and resid  79 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HN   ) (segid  A and resid  79 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HN   ) (segid  A and resid  79 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HN   ) (segid  A and resid  79 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HN   ) (segid  A and resid  80 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  79 and name HN   ) (segid  A and resid  94 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  79 and name HN   ) (segid  A and resid  97 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  80 and name HA   ) (segid  A and resid  81 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  80 and name HA   ) (segid  A and resid  94 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  80 and name HA   ) (segid  A and resid  94 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  80 and name HB#  ) (segid  A and resid  81 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  80 and name HB#  ) (segid  A and resid  81 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  80 and name HG#  ) (segid  A and resid  81 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  80 and name HG#  ) (segid  A and resid  94 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  80 and name HN   ) (segid  A and resid  80 and name HA   )  3.00  1.20  0.50
 assign (segid  A and resid  80 and name HN   ) (segid  A and resid  80 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  80 and name HN   ) (segid  A and resid  80 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  80 and name HN   ) (segid  A and resid  81 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  80 and name HN   ) (segid  A and resid  94 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  81 and name HA   ) (segid  A and resid  81 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  81 and name HB#  ) (segid  A and resid  81 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  81 and name HB#  ) (segid  A and resid  82 and name HN   )  3.00  1.20  1.50
 assign (segid  A and resid  81 and name HE#  ) (segid  A and resid  78 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  81 and name HE#  ) (segid  A and resid  82 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  81 and name HE#  ) (segid  A and resid  82 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  81 and name HG#  ) (segid  A and resid  81 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  81 and name HN   ) (segid  A and resid  81 and name HA   )  3.00  1.20  0.50
 assign (segid  A and resid  81 and name HN   ) (segid  A and resid  81 and name HB#  )  3.00  1.20  1.50
 assign (segid  A and resid  81 and name HN   ) (segid  A and resid  81 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  81 and name HN   ) (segid  A and resid  81 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  81 and name HN   ) (segid  A and resid  82 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  81 and name HN   ) (segid  A and resid  82 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  81 and name HN   ) (segid  A and resid  83 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  82 and name HA   ) (segid  A and resid  83 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  82 and name HB#  ) (segid  A and resid  47 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  82 and name HB#  ) (segid  A and resid  47 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  82 and name HB#  ) (segid  A and resid  78 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  82 and name HB#  ) (segid  A and resid  81 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  82 and name HB#  ) (segid  A and resid  83 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  82 and name HB#  ) (segid  A and resid  83 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  82 and name HB#  ) (segid  A and resid  83 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  82 and name HN   ) (segid  A and resid  82 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  82 and name HN   ) (segid  A and resid  82 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  82 and name HN   ) (segid  A and resid  83 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  83 and name HA   ) (segid  A and resid  84 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  83 and name HA   ) (segid  A and resid  84 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  83 and name HB#  ) (segid  A and resid  90 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  83 and name HD## ) (segid  A and resid  90 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  83 and name HD## ) (segid  A and resid  93 and name HB   )  4.00  2.20  1.00
 assign (segid  A and resid  83 and name HD## ) (segid  A and resid  94 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  83 and name HN   ) (segid  A and resid  83 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  83 and name HN   ) (segid  A and resid  83 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  83 and name HN   ) (segid  A and resid  83 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  84 and name HA   ) (segid  A and resid  85 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  84 and name HA   ) (segid  A and resid  85 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  84 and name HA   ) (segid  A and resid  85 and name HN   )  3.00  1.20  0.00
 assign (segid  A and resid  84 and name HA   ) (segid  A and resid  86 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  84 and name HB#  ) (segid  A and resid  85 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  84 and name HB#  ) (segid  A and resid  86 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  84 and name HB#  ) (segid  A and resid  90 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  84 and name HN   ) (segid  A and resid  84 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  84 and name HN   ) (segid  A and resid  84 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  85 and name HA   ) (segid  A and resid  86 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  85 and name HA   ) (segid  A and resid  90 and name HD1  )  4.00  2.20  1.00
 assign (segid  A and resid  85 and name HA   ) (segid  A and resid  90 and name HD2  )  4.00  2.20  1.00
 assign (segid  A and resid  85 and name HB   ) (segid  A and resid  86 and name HN   )  3.00  2.20  1.00
 assign (segid  A and resid  85 and name HG2# ) (segid  A and resid  86 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  85 and name HN   ) (segid  A and resid  85 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  85 and name HN   ) (segid  A and resid  85 and name HB   )  3.00  1.20  0.50
 assign (segid  A and resid  85 and name HN   ) (segid  A and resid  85 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  85 and name HN   ) (segid  A and resid  86 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  86 and name HN   ) (segid  A and resid  86 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  86 and name HN   ) (segid  A and resid  86 and name HB1  )  3.00  1.20  0.50
 assign (segid  A and resid  86 and name HN   ) (segid  A and resid  86 and name HB2  )  3.00  1.20  0.50
 assign (segid  A and resid  86 and name HN   ) (segid  A and resid  90 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  87 and name HD2  ) (segid  A and resid  83 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  87 and name HD2  ) (segid  A and resid  90 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  87 and name HD2  ) (segid  A and resid  93 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  90 and name HA   ) (segid  A and resid  93 and name HB   )  4.00  2.20  1.00
 assign (segid  A and resid  90 and name HA   ) (segid  A and resid  93 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  90 and name HA   ) (segid  A and resid  93 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  90 and name HA   ) (segid  A and resid  93 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  90 and name HA   ) (segid  A and resid  93 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  90 and name HA   ) (segid  A and resid  94 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  90 and name HA   ) (segid  A and resid  94 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  90 and name HB#  ) (segid  A and resid  91 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  90 and name HB#  ) (segid  A and resid  93 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  90 and name HD1  ) (segid  A and resid  85 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  90 and name HD2  ) (segid  A and resid  85 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  90 and name HD#  ) (segid  A and resid  94 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  90 and name HG#  ) (segid  A and resid  91 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  90 and name HG#  ) (segid  A and resid  91 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  90 and name HG#  ) (segid  A and resid  94 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  90 and name HG#  ) (segid  A and resid  94 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  90 and name HG#  ) (segid  A and resid  94 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  90 and name HG#  ) (segid  A and resid  94 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  91 and name HA   ) (segid  A and resid  94 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  91 and name HA   ) (segid  A and resid  94 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  91 and name HA   ) (segid  A and resid  94 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  91 and name HB#  ) (segid  A and resid  92 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  91 and name HB#  ) (segid  A and resid  92 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  91 and name HB#  ) (segid  A and resid  92 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  91 and name HN   ) (segid  A and resid  91 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  91 and name HN   ) (segid  A and resid  91 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  92 and name HA   ) (segid  A and resid  92 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  92 and name HA   ) (segid  A and resid  93 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  92 and name HA   ) (segid  A and resid  95 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  92 and name HA   ) (segid  A and resid  95 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  92 and name HB#  ) (segid  A and resid  92 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  92 and name HB#  ) (segid  A and resid  92 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  92 and name HB#  ) (segid  A and resid  93 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  92 and name HB#  ) (segid  A and resid  93 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  92 and name HB#  ) (segid  A and resid  93 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  92 and name HB#  ) (segid  A and resid  95 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  92 and name HD## ) (segid  A and resid  93 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  92 and name HD## ) (segid  A and resid  95 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  92 and name HN   ) (segid  A and resid  92 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  92 and name HN   ) (segid  A and resid  92 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  92 and name HN   ) (segid  A and resid  92 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  92 and name HN   ) (segid  A and resid  93 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HA   ) (segid  A and resid  17 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HA   ) (segid  A and resid  93 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HA   ) (segid  A and resid  94 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HA   ) (segid  A and resid  95 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HA   ) (segid  A and resid  96 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HA   ) (segid  A and resid  96 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HA   ) (segid  A and resid  96 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HA   ) (segid  A and resid  97 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HB   ) (segid  A and resid  94 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HD1# ) (segid  A and resid  83 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HG1# ) (segid  A and resid  96 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HG2# ) (segid  A and resid  83 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HG2# ) (segid  A and resid  94 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HG2# ) (segid  A and resid  94 and name HD## )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HG2# ) (segid  A and resid  94 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HG2# ) (segid  A and resid  94 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HG2# ) (segid  A and resid  97 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HG2# ) (segid  A and resid  97 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HN   ) (segid  A and resid  93 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HN   ) (segid  A and resid  93 and name HB   )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HN   ) (segid  A and resid  93 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HN   ) (segid  A and resid  93 and name HG1# )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HN   ) (segid  A and resid  93 and name HG2# )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HN   ) (segid  A and resid  94 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  93 and name HN   ) (segid  A and resid  94 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  94 and name HA   ) (segid  A and resid  94 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HA   ) (segid  A and resid  94 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HA   ) (segid  A and resid  95 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HA   ) (segid  A and resid  97 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HA   ) (segid  A and resid  97 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HA   ) (segid  A and resid  97 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HA   ) (segid  A and resid  97 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HA   ) (segid  A and resid  97 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HA   ) (segid  A and resid  98 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HA   ) (segid  A and resid  98 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HB#  ) (segid  A and resid  94 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HB#  ) (segid  A and resid  95 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HB#  ) (segid  A and resid  97 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HB#  ) (segid  A and resid  97 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HB#  ) (segid  A and resid  98 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HD1# ) (segid  A and resid  80 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HD1# ) (segid  A and resid  80 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HD1# ) (segid  A and resid  95 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HD2# ) (segid  A and resid  76 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HD2# ) (segid  A and resid  79 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HD2# ) (segid  A and resid  80 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HD2# ) (segid  A and resid  80 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HD2# ) (segid  A and resid  95 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HD2# ) (segid  A and resid  97 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HD## ) (segid  A and resid  97 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HD## ) (segid  A and resid  97 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HD## ) (segid  A and resid  97 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HD## ) (segid  A and resid  98 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HN   ) (segid  A and resid  94 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HN   ) (segid  A and resid  94 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HN   ) (segid  A and resid  94 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HN   ) (segid  A and resid  94 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HN   ) (segid  A and resid  94 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  94 and name HN   ) (segid  A and resid  95 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  94 and name HN   ) (segid  A and resid  97 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  95 and name HA   ) (segid  A and resid  96 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  95 and name HA   ) (segid  A and resid  98 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  95 and name HA   ) (segid  A and resid  98 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  95 and name HA   ) (segid  A and resid  98 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  95 and name HA   ) (segid  A and resid  98 and name HG1  )  4.00  2.20  1.00
 assign (segid  A and resid  95 and name HA   ) (segid  A and resid  98 and name HG2  )  4.00  2.20  1.00
 assign (segid  A and resid  95 and name HA   ) (segid  A and resid  98 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  95 and name HA   ) (segid  A and resid  98 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  95 and name HA   ) (segid  A and resid  99 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  95 and name HB#  ) (segid  A and resid  96 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  95 and name HB#  ) (segid  A and resid  98 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  95 and name HB#  ) (segid  A and resid  99 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  95 and name HN   ) (segid  A and resid  95 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  95 and name HN   ) (segid  A and resid  95 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  95 and name HN   ) (segid  A and resid  96 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  95 and name HN   ) (segid  A and resid  97 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  96 and name HA   ) (segid  A and resid  97 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  96 and name HA   ) (segid  A and resid  99 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  96 and name HA   ) (segid  A and resid  99 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  96 and name HA   ) (segid  A and resid  99 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  96 and name HA   ) (segid  A and resid  99 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  96 and name HA   ) (segid  A and resid  99 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  96 and name HA   ) (segid  A and resid  99 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  96 and name HB1  ) (segid  A and resid  97 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  96 and name HB2  ) (segid  A and resid  97 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  96 and name HB#  ) (segid  A and resid  97 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  96 and name HB#  ) (segid  A and resid  97 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  96 and name HG#  ) (segid  A and resid  99 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  96 and name HG#  ) (segid  A and resid  99 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  96 and name HN   ) (segid  A and resid  96 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  96 and name HN   ) (segid  A and resid  96 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  96 and name HN   ) (segid  A and resid  97 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  97 and name HA   ) (segid  A and resid 100 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HA   ) (segid  A and resid 100 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HA   ) (segid  A and resid 100 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HA   ) (segid  A and resid 101 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HA   ) (segid  A and resid  97 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HA   ) (segid  A and resid  98 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HA   ) (segid  A and resid  99 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HB1  ) (segid  A and resid  98 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HB2  ) (segid  A and resid  98 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HB#  ) (segid  A and resid 100 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HD1# ) (segid  A and resid  79 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HD1# ) (segid  A and resid  79 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HD1# ) (segid  A and resid  79 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HD1# ) (segid  A and resid  98 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HD2# ) (segid  A and resid 100 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HD2# ) (segid  A and resid 100 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HD2# ) (segid  A and resid 100 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HD2# ) (segid  A and resid 100 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HD2# ) (segid  A and resid 100 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HD2# ) (segid  A and resid  79 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HD2# ) (segid  A and resid  97 and name HA   )  3.00  1.20  1.00
 assign (segid  A and resid  97 and name HD2# ) (segid  A and resid  98 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HG   ) (segid  A and resid  98 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HN   ) (segid  A and resid  97 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HN   ) (segid  A and resid  97 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HN   ) (segid  A and resid  97 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HN   ) (segid  A and resid  97 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid  97 and name HN   ) (segid  A and resid  98 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  98 and name HA   ) (segid  A and resid 101 and name HB1  )  4.00  2.20  1.00
 assign (segid  A and resid  98 and name HA   ) (segid  A and resid 101 and name HB2  )  4.00  2.20  1.00
 assign (segid  A and resid  98 and name HA   ) (segid  A and resid 101 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  98 and name HA   ) (segid  A and resid 102 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  98 and name HA   ) (segid  A and resid  76 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  98 and name HA   ) (segid  A and resid  99 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  98 and name HB#  ) (segid  A and resid 101 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  98 and name HB#  ) (segid  A and resid  99 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  98 and name HG#  ) (segid  A and resid  99 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  98 and name HN   ) (segid  A and resid  98 and name HA   )  3.00  1.20  0.50
 assign (segid  A and resid  98 and name HN   ) (segid  A and resid  98 and name HB#  )  3.00  1.20  0.50
 assign (segid  A and resid  98 and name HN   ) (segid  A and resid  98 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid  98 and name HN   ) (segid  A and resid  99 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  99 and name HA   ) (segid  A and resid 100 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  99 and name HA   ) (segid  A and resid 101 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  99 and name HA   ) (segid  A and resid 102 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  99 and name HA   ) (segid  A and resid 102 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid  99 and name HA   ) (segid  A and resid  99 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  99 and name HB#  ) (segid  A and resid 100 and name HN   )  3.00  1.20  0.50
 assign (segid  A and resid  99 and name HB#  ) (segid  A and resid  99 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid  99 and name HB#  ) (segid  A and resid  99 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid  99 and name HG#  ) (segid  A and resid 103 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid  99 and name HG#  ) (segid  A and resid 103 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid  99 and name HN   ) (segid  A and resid 100 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid  99 and name HN   ) (segid  A and resid  99 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid  99 and name HN   ) (segid  A and resid  99 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid  99 and name HN   ) (segid  A and resid  99 and name HG#  )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HA   ) (segid  A and resid 100 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HA   ) (segid  A and resid 100 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HA   ) (segid  A and resid 101 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HA   ) (segid  A and resid 103 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HA   ) (segid  A and resid 103 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HA   ) (segid  A and resid 103 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HA   ) (segid  A and resid 103 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HA   ) (segid  A and resid 104 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HA   ) (segid  A and resid  10 and name HG1  )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HA   ) (segid  A and resid  10 and name HG2  )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HB#  ) (segid  A and resid 100 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HB#  ) (segid  A and resid 100 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HB#  ) (segid  A and resid 101 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HB#  ) (segid  A and resid 103 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HD1# ) (segid  A and resid 100 and name HA   )  3.00  1.20  1.00
 assign (segid  A and resid 100 and name HD1# ) (segid  A and resid 104 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HD1# ) (segid  A and resid 104 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HD1# ) (segid  A and resid  11 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HD2# ) (segid  A and resid 101 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HD2# ) (segid  A and resid  11 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HG   ) (segid  A and resid 101 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HN   ) (segid  A and resid 100 and name HA   )  3.00  1.20  0.50
 assign (segid  A and resid 100 and name HN   ) (segid  A and resid 100 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HN   ) (segid  A and resid 100 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HN   ) (segid  A and resid 100 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HN   ) (segid  A and resid 101 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid 100 and name HN   ) (segid  A and resid 101 and name HN   )  3.00  1.20  0.50
 assign (segid  A and resid 101 and name HA   ) (segid  A and resid 102 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 101 and name HA   ) (segid  A and resid 103 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 101 and name HA   ) (segid  A and resid 104 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid 101 and name HA   ) (segid  A and resid 104 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid 101 and name HA   ) (segid  A and resid 104 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid 101 and name HA   ) (segid  A and resid 104 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 101 and name HA   ) (segid  A and resid  73 and name HD#  )  4.00  2.20  1.00
 assign (segid  A and resid 101 and name HB#  ) (segid  A and resid 102 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid 101 and name HB#  ) (segid  A and resid 102 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 101 and name HN   ) (segid  A and resid 101 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid 101 and name HN   ) (segid  A and resid 101 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid 101 and name HN   ) (segid  A and resid 102 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid 101 and name HN   ) (segid  A and resid 102 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid 101 and name HN   ) (segid  A and resid 103 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 102 and name HA   ) (segid  A and resid 103 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 102 and name HA   ) (segid  A and resid 104 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 102 and name HA   ) (segid  A and resid 105 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid 102 and name HA   ) (segid  A and resid 105 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 102 and name HA   ) (segid  A and resid 106 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 102 and name HB#  ) (segid  A and resid 103 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid 102 and name HB#  ) (segid  A and resid 103 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 102 and name HN   ) (segid  A and resid 102 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid 102 and name HN   ) (segid  A and resid 102 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid 102 and name HN   ) (segid  A and resid 103 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid 103 and name HA   ) (segid  A and resid 103 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid 103 and name HA   ) (segid  A and resid 104 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 103 and name HA   ) (segid  A and resid 105 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 103 and name HB#  ) (segid  A and resid 103 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid 103 and name HB#  ) (segid  A and resid 104 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 103 and name HD1# ) (segid  A and resid 104 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid 103 and name HD2# ) (segid  A and resid 104 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 103 and name HN   ) (segid  A and resid 103 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid 103 and name HN   ) (segid  A and resid 103 and name HB#  )  3.00  1.20  0.50
 assign (segid  A and resid 103 and name HN   ) (segid  A and resid 103 and name HD1# )  4.00  2.20  1.00
 assign (segid  A and resid 103 and name HN   ) (segid  A and resid 103 and name HD2# )  4.00  2.20  1.00
 assign (segid  A and resid 103 and name HN   ) (segid  A and resid 103 and name HG   )  4.00  2.20  1.00
 assign (segid  A and resid 103 and name HN   ) (segid  A and resid 104 and name HN   )  2.50  0.70  0.40
 assign (segid  A and resid 104 and name HA   ) (segid  A and resid 104 and name HE#  )  4.00  2.20  1.00
 assign (segid  A and resid 104 and name HA   ) (segid  A and resid 105 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid 104 and name HA   ) (segid  A and resid 106 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 104 and name HA   ) (segid  A and resid 107 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid 104 and name HB#  ) (segid  A and resid 105 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 104 and name HN   ) (segid  A and resid 104 and name HA   )  3.00  1.20  0.50
 assign (segid  A and resid 104 and name HN   ) (segid  A and resid 104 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid 104 and name HN   ) (segid  A and resid 105 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid 104 and name HN   ) (segid  A and resid 106 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 105 and name HA   ) (segid  A and resid 106 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 105 and name HB#  ) (segid  A and resid 106 and name HN   )  4.00  2.20  1.00
 assign (segid  A and resid 105 and name HN   ) (segid  A and resid 105 and name HA   )  4.00  2.20  1.00
 assign (segid  A and resid 105 and name HN   ) (segid  A and resid 105 and name HB#  )  4.00  2.20  1.00
 assign (segid  A and resid 105 and name HN   ) (segid  A and resid 106 and name HN   )  3.00  1.20  0.20
 assign (segid  A and resid 107 and name HA   ) (segid  A and resid 108 and name HN   )  2.50  0.70  0.40
 assign (segid  A and resid 107 and name HN   ) (segid  A and resid 107 and name HB#  )  2.50  0.70  0.40
assign (resid   5 and name O    )(resid   9 and name N    )  2.70  0.00  0.60
assign (resid   5 and name O    )(resid   9 and name HN   )  1.70  0.00  0.60
assign (resid   6 and name O    )(resid  10 and name N    )  2.70  0.00  0.60
assign (resid   6 and name O    )(resid  10 and name HN   )  1.70  0.00  0.60
assign (resid   7 and name O    )(resid  11 and name N    )  2.70  0.00  0.60
assign (resid   7 and name O    )(resid  11 and name HN   )  1.70  0.00  0.60
assign (resid   8 and name O    )(resid  12 and name N    )  2.70  0.00  0.60
assign (resid   8 and name O    )(resid  12 and name HN   )  1.70  0.00  0.60
assign (resid   9 and name O    )(resid  13 and name N    )  2.70  0.00  0.60
assign (resid   9 and name O    )(resid  13 and name HN   )  1.70  0.00  0.60
assign (resid  10 and name O    )(resid  14 and name N    )  2.70  0.00  0.60
assign (resid  10 and name O    )(resid  14 and name HN   )  1.70  0.00  0.60
assign (resid  11 and name O    )(resid  15 and name N    )  2.70  0.00  0.60
assign (resid  11 and name O    )(resid  15 and name HN   )  1.70  0.00  0.60
assign (resid  12 and name O    )(resid  16 and name N    )  2.70  0.00  0.60
assign (resid  12 and name O    )(resid  16 and name HN   )  1.70  0.00  0.60
assign (resid  13 and name O    )(resid  17 and name N    )  2.70  0.00  0.60
assign (resid  13 and name O    )(resid  17 and name HN   )  1.70  0.00  0.60
assign (resid  15 and name O    )(resid  19 and name N    )  2.70  0.00  0.60
assign (resid  15 and name O    )(resid  19 and name HN   )  1.70  0.00  0.60
assign (resid  54 and name O    )(resid  58 and name N    )  2.70  0.00  0.60
assign (resid  54 and name O    )(resid  58 and name HN   )  1.70  0.00  0.60
assign (resid  55 and name O    )(resid  59 and name N    )  2.70  0.00  0.60
assign (resid  55 and name O    )(resid  59 and name HN   )  1.70  0.00  0.60
assign (resid  76 and name O    )(resid  80 and name N    )  2.70  0.00  0.60
assign (resid  76 and name O    )(resid  80 and name HN   )  1.70  0.00  0.60
assign (resid  79 and name O    )(resid  83 and name N    )  2.70  0.00  0.60
assign (resid  79 and name O    )(resid  83 and name HN   )  1.70  0.00  0.60
assign (resid  90 and name O    )(resid  94 and name N    )  2.70  0.00  0.60
assign (resid  90 and name O    )(resid  94 and name HN   )  1.70  0.00  0.60
assign (resid  91 and name O    )(resid  95 and name N    )  2.70  0.00  0.60
assign (resid  91 and name O    )(resid  95 and name HN   )  1.70  0.00  0.60
assign (resid  92 and name O    )(resid  96 and name N    )  2.70  0.00  0.60
assign (resid  92 and name O    )(resid  96 and name HN   )  1.70  0.00  0.60
assign (resid  93 and name O    )(resid  97 and name N    )  2.70  0.00  0.60
assign (resid  93 and name O    )(resid  97 and name HN   )  1.70  0.00  0.60
assign (resid  94 and name O    )(resid  98 and name N    )  2.70  0.00  0.60
assign (resid  94 and name O    )(resid  98 and name HN   )  1.70  0.00  0.60
assign (resid  95 and name O    )(resid  99 and name N    )  2.70  0.00  0.60
assign (resid  95 and name O    )(resid  99 and name HN   )  1.70  0.00  0.60
assign (resid  96 and name O    )(resid 100 and name N    )  2.70  0.00  0.60
assign (resid  96 and name O    )(resid 100 and name HN   )  1.70  0.00  0.60
assign (resid  97 and name O    )(resid 101 and name N    )  2.70  0.00  0.60
assign (resid  97 and name O    )(resid 101 and name HN   )  1.70  0.00  0.60
assign (resid  98 and name O    )(resid 102 and name N    )  2.70  0.00  0.60
assign (resid  98 and name O    )(resid 102 and name HN   )  1.70  0.00  0.60
assign (resid  100 and name O    )(resid 104 and name N    )  2.70  0.00  0.60
assign (resid  100 and name O    )(resid 104 and name HN   )  1.70  0.00  0.60



! PHI for THR 3
assign (resid  2   and name C   )  (resid  3  and name N   )
       (resid  3   and name CA  )  (resid  3  and name C   )  1.0 -65.97 30 2

! PSI for THR 3
assign (resid  3   and name N   )  (resid  3  and name CA  )
       (resid  3   and name C   )  (resid  4  and name N   )  1.0 -40.47 40 2

! PHI for HIS 4
assign (resid  3   and name C   )  (resid  4  and name N   )
       (resid  4   and name CA  )  (resid  4  and name C   )  1.0 -61.01 30 2

! PSI for HIS 4
assign (resid  4   and name N   )  (resid  4  and name CA  )
       (resid  4   and name C   )  (resid  5  and name N   )  1.0 -40.6 40 2

! PHI for ASP 5
assign (resid  4   and name C   )  (resid  5  and name N   )
       (resid  5   and name CA  )  (resid  5  and name C   )  1.0 -63.41 30 2

! PSI for ASP 5
assign (resid  5   and name N   )  (resid  5  and name CA  )
       (resid  5   and name C   )  (resid  6  and name N   )  1.0 -42 40 2

! PHI for ARG 6
assign (resid  5   and name C   )  (resid  6  and name N   )
       (resid  6   and name CA  )  (resid  6  and name C   )  1.0 -66.81 30 2

! PSI for ARG 6
assign (resid  6   and name N   )  (resid  6  and name CA  )
       (resid  6   and name C   )  (resid  7  and name N   )  1.0 -41.15 40 2

! PHI for VAL 7
assign (resid  6   and name C   )  (resid  7  and name N   )
       (resid  7   and name CA  )  (resid  7  and name C   )  1.0 -64.72 30 2

! PSI for VAL 7
assign (resid  7   and name N   )  (resid  7  and name CA  )
       (resid  7   and name C   )  (resid  8  and name N   )  1.0 -43.88 40 2

! PHI for ARG 8
assign (resid  7   and name C   )  (resid  8  and name N   )
       (resid  8   and name CA  )  (resid  8  and name C   )  1.0 -60.14 30 2

! PSI for ARG 8
assign (resid  8   and name N   )  (resid  8  and name CA  )
       (resid  8   and name C   )  (resid  9  and name N   )  1.0 -43.24 40 2

! PHI for LEU 9
assign (resid  8   and name C   )  (resid  9  and name N   )
       (resid  9   and name CA  )  (resid  9  and name C   )  1.0 -59.84 30 2

! PSI for LEU 9
assign (resid  9   and name N   )  (resid  9  and name CA  )
       (resid  9   and name C   )  (resid  10  and name N   )  1.0 -44.89 40 2

! PHI for GLN 10
assign (resid  9   and name C   )  (resid  10  and name N   )
       (resid  10   and name CA  )  (resid  10  and name C   )  1.0 -65.42 30 2

! PSI for GLN 10
assign (resid  10   and name N   )  (resid  10  and name CA  )
       (resid  10   and name C   )  (resid  11  and name N   )  1.0 -39.66 40 2

! PHI for LEU 11
assign (resid  10   and name C   )  (resid  11  and name N   )
       (resid  11   and name CA  )  (resid  11  and name C   )  1.0 -60.34 30 2

! PSI for LEU 11
assign (resid  11   and name N   )  (resid  11  and name CA  )
       (resid  11   and name C   )  (resid  12  and name N   )  1.0 -39.38 40 2

! PHI for GLN 12
assign (resid  11   and name C   )  (resid  12  and name N   )
       (resid  12   and name CA  )  (resid  12  and name C   )  1.0 -65.85 30 2

! PSI for GLN 12
assign (resid  12   and name N   )  (resid  12  and name CA  )
       (resid  12   and name C   )  (resid  13  and name N   )  1.0 -36.24 40 2

! PHI for ALA 13
assign (resid  12   and name C   )  (resid  13  and name N   )
       (resid  13   and name CA  )  (resid  13  and name C   )  1.0 -65.97 30 2

! PSI for ALA 13
assign (resid  13   and name N   )  (resid  13  and name CA  )
       (resid  13   and name C   )  (resid  14  and name N   )  1.0 -41.25 40 2

! PHI for LEU 14
assign (resid  13   and name C   )  (resid  14  and name N   )
       (resid  14   and name CA  )  (resid  14  and name C   )  1.0 -67.94 30 2

! PSI for LEU 14
assign (resid  14   and name N   )  (resid  14  and name CA  )
       (resid  14   and name C   )  (resid  15  and name N   )  1.0 -38.22 40 2

! PHI for GLU 15
assign (resid  14   and name C   )  (resid  15  and name N   )
       (resid  15   and name CA  )  (resid  15  and name C   )  1.0 -64.47 30 2

! PSI for GLU 15
assign (resid  15   and name N   )  (resid  15  and name CA  )
       (resid  15   and name C   )  (resid  16  and name N   )  1.0 -37.91 40 2

! PHI for LEU 17
assign (resid  16   and name C   )  (resid  17  and name N   )
       (resid  17   and name CA  )  (resid  17  and name C   )  1.0 -61.67 30 2

! PSI for LEU 17
assign (resid  17   and name N   )  (resid  17  and name CA  )
       (resid  17   and name C   )  (resid  18  and name N   )  1.0 -45.51 40 2

! PHI for LEU 18
assign (resid  17   and name C   )  (resid  18  and name N   )
       (resid  18   and name CA  )  (resid  18  and name C   )  1.0 -63.04 30 2

! PSI for LEU 18
assign (resid  18   and name N   )  (resid  18  and name CA  )
       (resid  18   and name C   )  (resid  19  and name N   )  1.0 -38.6 40 2

! PHI for ARG 19
assign (resid  18   and name C   )  (resid  19  and name N   )
       (resid  19   and name CA  )  (resid  19  and name C   )  1.0 -64.41 30 2

! PSI for ARG 19
assign (resid  19   and name N   )  (resid  19  and name CA  )
       (resid  19   and name C   )  (resid  20  and name N   )  1.0 -40.08 40 2

! PHI for GLU 20
assign (resid  19   and name C   )  (resid  20  and name N   )
       (resid  20   and name CA  )  (resid  20  and name C   )  1.0 -63.01 30 2

! PSI for GLU 20
assign (resid  20   and name N   )  (resid  20  and name CA  )
       (resid  20   and name C   )  (resid  21  and name N   )  1.0 -38.62 40 2

! PHI for LEU 55
assign (resid  54   and name C   )  (resid  55  and name N   )
       (resid  55   and name CA  )  (resid  55  and name C   )  1.0 -60.61 30 2

! PSI for LEU 55
assign (resid  55   and name N   )  (resid  55  and name CA  )
       (resid  55   and name C   )  (resid  56  and name N   )  1.0 -43.55 40 2

! PHI for ILE 56
assign (resid  55   and name C   )  (resid  56  and name N   )
       (resid  56   and name CA  )  (resid  56  and name C   )  1.0 -59.11 30 2

! PSI for ILE 56
assign (resid  56   and name N   )  (resid  56  and name CA  )
       (resid  56   and name C   )  (resid  57  and name N   )  1.0 -43.42 40 2

! PSI for PRO 57
assign (resid  57   and name N   )  (resid  57  and name CA  )
       (resid  57   and name C   )  (resid  58  and name N   )  1.0 -39.41 40 2

! PHI for ARG 58
assign (resid  57   and name C   )  (resid  58  and name N   )
       (resid  58   and name CA  )  (resid  58  and name C   )  1.0 -62.27 30 2

! PSI for ARG 58
assign (resid  58   and name N   )  (resid  58  and name CA  )
       (resid  58   and name C   )  (resid  59  and name N   )  1.0 -40.94 40 2

! PHI for MET 59
assign (resid  58   and name C   )  (resid  59  and name N   )
       (resid  59   and name CA  )  (resid  59  and name C   )  1.0 -65.61 30 2

! PSI for MET 59
assign (resid  59   and name N   )  (resid  59  and name CA  )
       (resid  59   and name C   )  (resid  60  and name N   )  1.0 -42.56 40 2

! PHI for HIS 60
assign (resid  59   and name C   )  (resid  60  and name N   )
       (resid  60   and name CA  )  (resid  60  and name C   )  1.0 -66.06 30 2

! PSI for HIS 60
assign (resid  60   and name N   )  (resid  60  and name CA  )
       (resid  60   and name C   )  (resid  61  and name N   )  1.0 -41.48 40 2

! PHI for ASP 61
assign (resid  60   and name C   )  (resid  61  and name N   )
       (resid  61   and name CA  )  (resid  61  and name C   )  1.0 -66.65 30 2

! PSI for ASP 61
assign (resid  61   and name N   )  (resid  61  and name CA  )
       (resid  61   and name C   )  (resid  62  and name N   )  1.0 -38.34 40 2

! PHI for LEU 62
assign (resid  61   and name C   )  (resid  62  and name N   )
       (resid  62   and name CA  )  (resid  62  and name C   )  1.0 -62.13 30 2

! PSI for LEU 62
assign (resid  62   and name N   )  (resid  62  and name CA  )
       (resid  62   and name C   )  (resid  63  and name N   )  1.0 -42.6 40 2

! PHI for LEU 63
assign (resid  62   and name C   )  (resid  63  and name N   )
       (resid  63   and name CA  )  (resid  63  and name C   )  1.0 -62.61 30 2

! PSI for LEU 63
assign (resid  63   and name N   )  (resid  63  and name CA  )
       (resid  63   and name C   )  (resid  64  and name N   )  1.0 -38.23 40 2

! PHI for ASP 64
assign (resid  63   and name C   )  (resid  64  and name N   )
       (resid  64   and name CA  )  (resid  64  and name C   )  1.0 -64.22 30 2

! PSI for ASP 64
assign (resid  64   and name N   )  (resid  64  and name CA  )
       (resid  64   and name C   )  (resid  65  and name N   )  1.0 -40.2 40 2

! PSI for PRO 77
assign (resid  77   and name N   )  (resid  77  and name CA  )
       (resid  77   and name C   )  (resid  78  and name N   )  1.0 -36 40 2

! PHI for TYR 78
assign (resid  77   and name C   )  (resid  78  and name N   )
       (resid  78   and name CA  )  (resid  78  and name C   )  1.0 -63.09 30 2

! PSI for TYR 78
assign (resid  78   and name N   )  (resid  78  and name CA  )
       (resid  78   and name C   )  (resid  79  and name N   )  1.0 -42.79 40 2

! PHI for TYR 79
assign (resid  78   and name C   )  (resid  79  and name N   )
       (resid  79   and name CA  )  (resid  79  and name C   )  1.0 -62.46 30 2

! PSI for TYR 79
assign (resid  79   and name N   )  (resid  79  and name CA  )
       (resid  79   and name C   )  (resid  80  and name N   )  1.0 -45.3 40 2

! PHI for GLU 80
assign (resid  79   and name C   )  (resid  80  and name N   )
       (resid  80   and name CA  )  (resid  80  and name C   )  1.0 -58.83 30 2

! PSI for GLU 80
assign (resid  80   and name N   )  (resid  80  and name CA  )
       (resid  80   and name C   )  (resid  81  and name N   )  1.0 -35.43 40 2

! PHI for ARG 90
assign (resid  89   and name C   )  (resid  90  and name N   )
       (resid  90   and name CA  )  (resid  90  and name C   )  1.0 -57.38 30 2

! PSI for ARG 90
assign (resid  90   and name N   )  (resid  90  and name CA  )
       (resid  90   and name C   )  (resid  91  and name N   )  1.0 -47.39 40 2

! PHI for ALA 91
assign (resid  90   and name C   )  (resid  91  and name N   )
       (resid  91   and name CA  )  (resid  91  and name C   )  1.0 -60.48 30 2

! PSI for ALA 91
assign (resid  91   and name N   )  (resid  91  and name CA  )
       (resid  91   and name C   )  (resid  92  and name N   )  1.0 -38.7 40 2

! PHI for LEU 92
assign (resid  91   and name C   )  (resid  92  and name N   )
       (resid  92   and name CA  )  (resid  92  and name C   )  1.0 -64.58 30 2

! PSI for LEU 92
assign (resid  92   and name N   )  (resid  92  and name CA  )
       (resid  92   and name C   )  (resid  93  and name N   )  1.0 -42.17 40 2

! PHI for ILE 93
assign (resid  92   and name C   )  (resid  93  and name N   )
       (resid  93   and name CA  )  (resid  93  and name C   )  1.0 -63.83 30 2

! PSI for ILE 93
assign (resid  93   and name N   )  (resid  93  and name CA  )
       (resid  93   and name C   )  (resid  94  and name N   )  1.0 -46.02 40 2

! PHI for LEU 94
assign (resid  93   and name C   )  (resid  94  and name N   )
       (resid  94   and name CA  )  (resid  94  and name C   )  1.0 -59.26 30 2

! PSI for LEU 94
assign (resid  94   and name N   )  (resid  94  and name CA  )
       (resid  94   and name C   )  (resid  95  and name N   )  1.0 -43.13 40 2

! PHI for ALA 95
assign (resid  94   and name C   )  (resid  95  and name N   )
       (resid  95   and name CA  )  (resid  95  and name C   )  1.0 -66.25 30 2

! PSI for ALA 95
assign (resid  95   and name N   )  (resid  95  and name CA  )
       (resid  95   and name C   )  (resid  96  and name N   )  1.0 -40.1 40 2

! PHI for GLU 96
assign (resid  95   and name C   )  (resid  96  and name N   )
       (resid  96   and name CA  )  (resid  96  and name C   )  1.0 -62.6 30 2

! PSI for GLU 96
assign (resid  96   and name N   )  (resid  96  and name CA  )
       (resid  96   and name C   )  (resid  97  and name N   )  1.0 -43.1 40 2

! PHI for LEU 97
assign (resid  96   and name C   )  (resid  97  and name N   )
       (resid  97   and name CA  )  (resid  97  and name C   )  1.0 -64.19 30 2

! PSI for LEU 97
assign (resid  97   and name N   )  (resid  97  and name CA  )
       (resid  97   and name C   )  (resid  98  and name N   )  1.0 -38.91 40 2

! PHI for GLU 98
assign (resid  97   and name C   )  (resid  98  and name N   )
       (resid  98   and name CA  )  (resid  98  and name C   )  1.0 -65.99 30 2

! PSI for GLU 98
assign (resid  98   and name N   )  (resid  98  and name CA  )
       (resid  98   and name C   )  (resid  99  and name N   )  1.0 -42.79 40 2

! PHI for LYS 99
assign (resid  98   and name C   )  (resid  99  and name N   )
       (resid  99   and name CA  )  (resid  99  and name C   )  1.0 -66.1 30 2

! PSI for LYS 99
assign (resid  99   and name N   )  (resid  99  and name CA  )
       (resid  99   and name C   )  (resid  100  and name N   )  1.0 -39.96 40 2

! PHI for LEU 100
assign (resid  99   and name C   )  (resid  100  and name N   )
       (resid  100   and name CA  )  (resid  100  and name C   )  1.0 -64.95 30 2

! PSI for LEU 100
assign (resid  100   and name N   )  (resid  100  and name CA  )
       (resid  100   and name C   )  (resid  101  and name N   )  1.0 -38.17 40 2

! PHI for ASP 101
assign (resid  100   and name C   )  (resid  101  and name N   )
       (resid  101   and name CA  )  (resid  101  and name C   )  1.0 -65.29 30 2

! PSI for ASP 101
assign (resid  101   and name N   )  (resid  101  and name CA  )
       (resid  101   and name C   )  (resid  102  and name N   )  1.0 -41.69 40 2

! PHI for ALA 102
assign (resid  101   and name C   )  (resid  102  and name N   )
       (resid  102   and name CA  )  (resid  102  and name C   )  1.0 -64.2 30 2

! PSI for ALA 102
assign (resid  102   and name N   )  (resid  102  and name CA  )
       (resid  102   and name C   )  (resid  103  and name N   )  1.0 -41.87 40 2

! PHI for LEU 103
assign (resid  102   and name C   )  (resid  103  and name N   )
       (resid  103   and name CA  )  (resid  103  and name C   )  1.0 -63.04 30 2

! PSI for LEU 103
assign (resid  103   and name N   )  (resid  103  and name CA  )
       (resid  103   and name C   )  (resid  104  and name N   )  1.0 -40.45 40 2

! PHI for PHE 104
assign (resid  103   and name C   )  (resid  104  and name N   )
       (resid  104   and name CA  )  (resid  104  and name C   )  1.0 -73.37 30 2

! PSI for PHE 104
assign (resid  104   and name N   )  (resid  104  and name CA  )
       (resid  104   and name C   )  (resid  105  and name N   )  1.0 -28.44 40 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1 -19.242   4.494   8.636
    2   2H    MET   1          2H        MET   1 -18.488   2.990   8.837
    3   3H    MET   1          3H        MET   1 -19.752   3.162   7.721
    4    HA   MET   1           HA       MET   1 -18.448   4.601   6.359
    5   1HB   MET   1          1HB       MET   1 -16.323   4.146   8.463
    6   2HB   MET   1          2HB       MET   1 -16.029   4.890   6.896
    7   1HG   MET   1          1HG       MET   1 -17.579   6.687   7.449
    8   2HG   MET   1          2HG       MET   1 -17.882   5.946   9.020
    9   1HE   MET   1          1HE       MET   1 -17.046   8.961   8.656
   10   2HE   MET   1          2HE       MET   1 -15.828   9.153   9.917
   11   3HE   MET   1          3HE       MET   1 -17.298   8.230  10.240
   12    H    THR   2           H        THR   2 -17.638   3.604   4.613
   13    HA   THR   2           HA       THR   2 -17.747   0.796   4.518
   14    HB   THR   2           HB       THR   2 -16.608   2.736   2.495
   15    HG1  THR   2           HG1      THR   2 -19.238   1.755   3.009
   16   1HG2  THR   2          1HG2      THR   2 -17.124   1.012   0.843
   17   2HG2  THR   2          2HG2      THR   2 -17.661  -0.072   2.124
   18   3HG2  THR   2          3HG2      THR   2 -15.968   0.412   2.031
   19    H    THR   3           H        THR   3 -16.263  -0.723   4.841
   20    HA   THR   3           HA       THR   3 -13.705  -0.158   5.866
   21    HB   THR   3           HB       THR   3 -14.659  -2.760   4.649
   22    HG1  THR   3           HG1      THR   3 -15.354  -3.234   6.769
   23   1HG2  THR   3          1HG2      THR   3 -12.226  -2.644   5.070
   24   2HG2  THR   3          2HG2      THR   3 -13.030  -3.806   6.125
   25   3HG2  THR   3          3HG2      THR   3 -12.551  -2.228   6.752
   26    H    HIS   4           H        HIS   4 -14.748  -1.254   2.642
   27    HA   HIS   4           HA       HIS   4 -12.163  -1.405   1.513
   28   1HB   HIS   4          1HB       HIS   4 -14.879  -0.991   0.269
   29   2HB   HIS   4          2HB       HIS   4 -13.411  -1.106  -0.694
   30    HD1  HIS   4           HD1      HIS   4 -16.088  -3.133   0.414
   31    HD2  HIS   4           HD2      HIS   4 -11.983  -3.696   0.057
   32    HE1  HIS   4           HE1      HIS   4 -15.745  -5.623   0.350
   33    HE2  HIS   4           HE2      HIS   4 -13.287  -5.921  -0.119
   34    H    ASP   5           H        ASP   5 -14.095   1.275   2.360
   35    HA   ASP   5           HA       ASP   5 -12.892   3.114   0.484
   36   1HB   ASP   5          1HB       ASP   5 -15.225   3.418   1.207
   37   2HB   ASP   5          2HB       ASP   5 -14.679   3.641   2.867
   38    H    ARG   6           H        ARG   6 -12.631   2.336   3.923
   39    HA   ARG   6           HA       ARG   6 -10.835   4.415   4.575
   40   1HB   ARG   6          1HB       ARG   6 -11.484   1.789   5.884
   41   2HB   ARG   6          2HB       ARG   6 -10.246   2.858   6.532
   42   1HG   ARG   6          1HG       ARG   6 -11.910   4.646   6.739
   43   2HG   ARG   6          2HG       ARG   6 -13.150   3.549   6.128
   44   1HD   ARG   6          1HD       ARG   6 -12.950   2.133   8.022
   45   2HD   ARG   6          2HD       ARG   6 -11.490   2.958   8.565
   46    HE   ARG   6           HE       ARG   6 -13.218   4.959   8.663
   47   1HH1  ARG   6          1HH1      ARG   6 -13.626   1.634   9.698
   48   2HH1  ARG   6          2HH1      ARG   6 -14.694   2.043  11.009
   49   1HH2  ARG   6          1HH2      ARG   6 -14.641   5.486  10.372
   50   2HH2  ARG   6          2HH2      ARG   6 -15.273   4.223  11.384
   51    H    VAL   7           H        VAL   7 -10.330   1.146   3.351
   52    HA   VAL   7           HA       VAL   7  -7.501   1.173   3.619
   53    HB   VAL   7           HB       VAL   7  -9.184  -0.389   1.643
   54   1HG1  VAL   7          1HG1      VAL   7  -7.280  -1.922   1.539
   55   2HG1  VAL   7          2HG1      VAL   7  -6.362  -0.858   2.604
   56   3HG1  VAL   7          3HG1      VAL   7  -6.831  -0.304   0.997
   57   1HG2  VAL   7          1HG2      VAL   7  -9.832  -0.814   3.967
   58   2HG2  VAL   7          2HG2      VAL   7  -8.154  -1.180   4.370
   59   3HG2  VAL   7          3HG2      VAL   7  -9.040  -2.218   3.254
   60    H    ARG   8           H        ARG   8  -9.730   2.370   1.202
   61    HA   ARG   8           HA       ARG   8  -7.883   3.024  -0.818
   62   1HB   ARG   8          1HB       ARG   8 -10.266   3.110  -1.261
   63   2HB   ARG   8          2HB       ARG   8 -10.489   4.347  -0.030
   64   1HG   ARG   8          1HG       ARG   8  -9.104   5.887  -1.370
   65   2HG   ARG   8          2HG       ARG   8  -8.981   4.649  -2.620
   66   1HD   ARG   8          1HD       ARG   8 -10.702   6.239  -3.206
   67   2HD   ARG   8          2HD       ARG   8 -11.431   4.674  -2.854
   68    HE   ARG   8           HE       ARG   8 -12.086   5.601  -0.675
   69   1HH1  ARG   8          1HH1      ARG   8 -11.177   7.859  -3.200
   70   2HH1  ARG   8          2HH1      ARG   8 -12.125   9.161  -2.543
   71   1HH2  ARG   8          1HH2      ARG   8 -13.371   7.278   0.153
   72   2HH2  ARG   8          2HH2      ARG   8 -13.400   8.822  -0.658
   73    H    LEU   9           H        LEU   9  -9.036   4.791   2.010
   74    HA   LEU   9           HA       LEU   9  -7.615   7.176   1.586
   75   1HB   LEU   9          1HB       LEU   9  -8.368   5.938   4.238
   76   2HB   LEU   9          2HB       LEU   9  -8.014   7.630   3.940
   77    HG   LEU   9           HG       LEU   9 -10.383   6.114   2.842
   78   1HD1  LEU   9          1HD1      LEU   9 -10.204   8.208   4.999
   79   2HD1  LEU   9          2HD1      LEU   9 -10.573   6.498   5.228
   80   3HD1  LEU   9          3HD1      LEU   9 -11.693   7.532   4.342
   81   1HD2  LEU   9          1HD2      LEU   9 -11.165   8.298   2.080
   82   2HD2  LEU   9          2HD2      LEU   9  -9.637   7.861   1.315
   83   3HD2  LEU   9          3HD2      LEU   9  -9.661   9.033   2.632
   84    H    GLN  10           H        GLN  10  -6.760   4.169   3.206
   85    HA   GLN  10           HA       GLN  10  -4.268   4.898   4.248
   86   1HB   GLN  10          1HB       GLN  10  -5.263   2.842   4.919
   87   2HB   GLN  10          2HB       GLN  10  -5.366   2.271   3.261
   88   1HG   GLN  10          1HG       GLN  10  -3.622   1.096   4.409
   89   2HG   GLN  10          2HG       GLN  10  -2.913   2.135   3.177
   90   1HE2  GLN  10          1HE2      GLN  10  -1.662   3.874   3.790
   91   2HE2  GLN  10          2HE2      GLN  10  -1.057   4.072   5.403
   92    H    LEU  11           H        LEU  11  -5.150   3.620   1.062
   93    HA   LEU  11           HA       LEU  11  -2.574   3.446  -0.028
   94   1HB   LEU  11          1HB       LEU  11  -5.184   4.091  -1.409
   95   2HB   LEU  11          2HB       LEU  11  -3.704   3.625  -2.226
   96    HG   LEU  11           HG       LEU  11  -5.220   1.883  -0.281
   97   1HD1  LEU  11          1HD1      LEU  11  -5.868   0.598  -2.256
   98   2HD1  LEU  11          2HD1      LEU  11  -5.083   1.792  -3.289
   99   3HD1  LEU  11          3HD1      LEU  11  -6.486   2.248  -2.324
  100   1HD2  LEU  11          1HD2      LEU  11  -2.816   1.424  -0.349
  101   2HD2  LEU  11          2HD2      LEU  11  -2.897   1.258  -2.103
  102   3HD2  LEU  11          3HD2      LEU  11  -3.747   0.111  -1.067
  103    H    GLN  12           H        GLN  12  -4.809   6.140   0.245
  104    HA   GLN  12           HA       GLN  12  -3.199   7.943  -1.290
  105   1HB   GLN  12          1HB       GLN  12  -5.469   8.498   0.625
  106   2HB   GLN  12          2HB       GLN  12  -4.762   9.665  -0.484
  107   1HG   GLN  12          1HG       GLN  12  -5.487   8.328  -2.380
  108   2HG   GLN  12          2HG       GLN  12  -6.164   7.125  -1.285
  109   1HE2  GLN  12          1HE2      GLN  12  -6.524  10.285  -2.659
  110   2HE2  GLN  12          2HE2      GLN  12  -8.156  10.553  -2.120
  111    H    ALA  13           H        ALA  13  -3.386   7.014   2.066
  112    HA   ALA  13           HA       ALA  13  -1.875   9.171   3.132
  113   1HB   ALA  13          1HB       ALA  13  -3.180   7.725   4.588
  114   2HB   ALA  13          2HB       ALA  13  -1.479   7.677   5.055
  115   3HB   ALA  13          3HB       ALA  13  -2.182   6.342   4.142
  116    H    LEU  14           H        LEU  14  -1.011   5.974   1.884
  117    HA   LEU  14           HA       LEU  14   1.782   6.213   2.238
  118   1HB   LEU  14          1HB       LEU  14   0.659   4.076   1.794
  119   2HB   LEU  14          2HB       LEU  14   0.208   4.635   0.195
  120    HG   LEU  14           HG       LEU  14   2.616   4.745  -0.406
  121   1HD1  LEU  14          1HD1      LEU  14   3.547   5.053   1.818
  122   2HD1  LEU  14          2HD1      LEU  14   4.240   3.627   1.046
  123   3HD1  LEU  14          3HD1      LEU  14   3.000   3.443   2.287
  124   1HD2  LEU  14          1HD2      LEU  14   2.931   2.326  -0.576
  125   2HD2  LEU  14          2HD2      LEU  14   1.278   2.791  -0.971
  126   3HD2  LEU  14          3HD2      LEU  14   1.641   2.075   0.600
  127    H    GLU  15           H        GLU  15  -0.410   7.074  -0.373
  128    HA   GLU  15           HA       GLU  15   1.464   7.939  -2.268
  129   1HB   GLU  15          1HB       GLU  15  -0.932   7.559  -2.725
  130   2HB   GLU  15          2HB       GLU  15  -1.330   8.969  -1.756
  131   1HG   GLU  15          1HG       GLU  15  -0.088  10.383  -3.335
  132   2HG   GLU  15          2HG       GLU  15   0.240   8.957  -4.321
  133    H    ALA  16           H        ALA  16  -0.153   9.659   0.375
  134    HA   ALA  16           HA       ALA  16   0.907  12.217  -0.138
  135   1HB   ALA  16          1HB       ALA  16   0.287  12.751   2.156
  136   2HB   ALA  16          2HB       ALA  16   0.082  11.035   2.512
  137   3HB   ALA  16          3HB       ALA  16  -0.994  11.833   1.363
  138    H    LEU  17           H        LEU  17   2.116   9.488   1.720
  139    HA   LEU  17           HA       LEU  17   4.333  10.774   2.889
  140   1HB   LEU  17          1HB       LEU  17   3.451   8.622   3.658
  141   2HB   LEU  17          2HB       LEU  17   3.923   7.873   2.147
  142    HG   LEU  17           HG       LEU  17   6.095   9.145   3.721
  143   1HD1  LEU  17          1HD1      LEU  17   4.817   8.063   5.485
  144   2HD1  LEU  17          2HD1      LEU  17   6.299   7.164   5.161
  145   3HD1  LEU  17          3HD1      LEU  17   4.757   6.570   4.546
  146   1HD2  LEU  17          1HD2      LEU  17   6.526   8.003   1.594
  147   2HD2  LEU  17          2HD2      LEU  17   5.828   6.522   2.254
  148   3HD2  LEU  17          3HD2      LEU  17   7.315   7.177   2.941
  149    H    LEU  18           H        LEU  18   3.902   9.101  -0.187
  150    HA   LEU  18           HA       LEU  18   6.637   9.418  -0.999
  151   1HB   LEU  18          1HB       LEU  18   4.159   8.735  -2.588
  152   2HB   LEU  18          2HB       LEU  18   5.795   8.674  -3.215
  153    HG   LEU  18           HG       LEU  18   4.772   6.983  -0.931
  154   1HD1  LEU  18          1HD1      LEU  18   3.701   6.402  -3.055
  155   2HD1  LEU  18          2HD1      LEU  18   4.814   5.141  -2.524
  156   3HD1  LEU  18          3HD1      LEU  18   5.288   6.250  -3.811
  157   1HD2  LEU  18          1HD2      LEU  18   7.186   7.468  -0.863
  158   2HD2  LEU  18          2HD2      LEU  18   7.342   6.835  -2.504
  159   3HD2  LEU  18          3HD2      LEU  18   6.852   5.767  -1.189
  160    H    ARG  19           H        ARG  19   3.909  11.439  -0.929
  161    HA   ARG  19           HA       ARG  19   4.720  13.163  -3.089
  162   1HB   ARG  19          1HB       ARG  19   2.332  12.887  -2.327
  163   2HB   ARG  19          2HB       ARG  19   2.762  13.760  -0.862
  164   1HG   ARG  19          1HG       ARG  19   1.717  15.281  -2.380
  165   2HG   ARG  19          2HG       ARG  19   3.431  15.692  -2.272
  166   1HD   ARG  19          1HD       ARG  19   3.811  14.377  -4.350
  167   2HD   ARG  19          2HD       ARG  19   2.067  14.150  -4.476
  168    HE   ARG  19           HE       ARG  19   3.422  16.774  -4.613
  169   1HH1  ARG  19          1HH1      ARG  19   0.812  14.606  -5.500
  170   2HH1  ARG  19          2HH1      ARG  19   0.102  15.714  -6.635
  171   1HH2  ARG  19          1HH2      ARG  19   2.497  18.229  -6.108
  172   2HH2  ARG  19          2HH2      ARG  19   1.072  17.774  -6.992
  173    H    GLU  20           H        GLU  20   4.885  13.181   0.444
  174    HA   GLU  20           HA       GLU  20   6.278  15.660   0.655
  175   1HB   GLU  20          1HB       GLU  20   6.237  13.314   2.564
  176   2HB   GLU  20          2HB       GLU  20   6.775  14.941   2.948
  177   1HG   GLU  20          1HG       GLU  20   4.525  15.785   2.610
  178   2HG   GLU  20          2HG       GLU  20   3.976  14.169   2.161
  179    H    HIS  21           H        HIS  21   7.266  12.277   0.743
  180    HA   HIS  21           HA       HIS  21  10.079  13.043   0.483
  181   1HB   HIS  21          1HB       HIS  21   8.889  10.292   0.966
  182   2HB   HIS  21          2HB       HIS  21  10.596  10.714   1.021
  183    HD1  HIS  21           HD1      HIS  21  11.498  11.697   3.203
  184    HD2  HIS  21           HD2      HIS  21   7.363  11.200   3.181
  185    HE1  HIS  21           HE1      HIS  21  10.752  12.073   5.574
  186    HE2  HIS  21           HE2      HIS  21   8.235  11.954   5.496
  187    H    GLN  22           H        GLN  22   9.034  13.781  -1.600
  188    HA   GLN  22           HA       GLN  22   8.022  12.476  -3.661
  189   1HB   GLN  22          1HB       GLN  22  10.347  14.376  -3.918
  190   2HB   GLN  22          2HB       GLN  22   9.229  13.946  -5.205
  191   1HG   GLN  22          1HG       GLN  22   7.384  14.861  -3.795
  192   2HG   GLN  22          2HG       GLN  22   8.616  15.457  -2.682
  193   1HE2  GLN  22          1HE2      GLN  22   6.677  16.944  -4.253
  194   2HE2  GLN  22          2HE2      GLN  22   7.588  18.019  -5.253
  195    H    HIS  23           H        HIS  23   8.464  10.363  -3.863
  196    HA   HIS  23           HA       HIS  23  10.808   9.805  -5.530
  197   1HB   HIS  23          1HB       HIS  23   9.896   8.199  -3.141
  198   2HB   HIS  23          2HB       HIS  23  10.788   7.447  -4.457
  199    HD1  HIS  23           HD1      HIS  23  13.305   7.938  -4.627
  200    HD2  HIS  23           HD2      HIS  23  11.400   9.952  -1.517
  201    HE1  HIS  23           HE1      HIS  23  15.145   8.885  -3.194
  202    HE2  HIS  23           HE2      HIS  23  13.977  10.153  -1.357
  203    H    TRP  24           H        TRP  24   7.956  10.432  -5.864
  204    HA   TRP  24           HA       TRP  24   6.484   8.096  -6.489
  205   1HB   TRP  24          1HB       TRP  24   5.427  10.246  -5.907
  206   2HB   TRP  24          2HB       TRP  24   6.043  10.950  -7.395
  207    HD1  TRP  24           HD1      TRP  24   4.727  10.426  -9.631
  208    HE1  TRP  24           HE1      TRP  24   2.467   9.295 -10.121
  209    HE3  TRP  24           HE3      TRP  24   3.854   8.336  -5.048
  210    HZ2  TRP  24           HZ2      TRP  24   0.565   7.727  -8.746
  211    HZ3  TRP  24           HZ3      TRP  24   1.792   7.037  -4.720
  212    HH2  TRP  24           HH2      TRP  24   0.181   6.740  -6.529
  213    H    ARG  25           H        ARG  25   6.287   6.975  -8.314
  214    HA   ARG  25           HA       ARG  25   7.890   7.835 -10.633
  215   1HB   ARG  25          1HB       ARG  25   7.192   5.049  -9.691
  216   2HB   ARG  25          2HB       ARG  25   8.027   5.410 -11.195
  217   1HG   ARG  25          1HG       ARG  25   9.028   6.011  -8.419
  218   2HG   ARG  25          2HG       ARG  25   9.587   4.711  -9.473
  219   1HD   ARG  25          1HD       ARG  25  10.279   6.424 -11.127
  220   2HD   ARG  25          2HD       ARG  25   9.832   7.674  -9.969
  221    HE   ARG  25           HE       ARG  25  11.665   5.814  -8.830
  222   1HH1  ARG  25          1HH1      ARG  25  11.427   8.585 -10.953
  223   2HH1  ARG  25          2HH1      ARG  25  13.082   9.068 -10.746
  224   1HH2  ARG  25          1HH2      ARG  25  13.855   6.422  -8.548
  225   2HH2  ARG  25          2HH2      ARG  25  14.463   7.848  -9.347
  226    H    ASN  26           H        ASN  26   6.957   7.903 -12.603
  227    HA   ASN  26           HA       ASN  26   4.187   6.920 -12.827
  228   1HB   ASN  26          1HB       ASN  26   4.253   9.409 -12.704
  229   2HB   ASN  26          2HB       ASN  26   5.278   9.426 -14.137
  230   1HD2  ASN  26          1HD2      ASN  26   4.392   8.899 -16.142
  231   2HD2  ASN  26          2HD2      ASN  26   2.681   8.871 -16.402
  232    H    ASP  27           H        ASP  27   4.338   5.177 -14.065
  233    HA   ASP  27           HA       ASP  27   6.331   5.004 -16.165
  234   1HB   ASP  27          1HB       ASP  27   5.954   3.043 -14.759
  235   2HB   ASP  27          2HB       ASP  27   4.250   3.025 -15.197
  236    H    GLU  28           H        GLU  28   5.919   4.954 -18.338
  237    HA   GLU  28           HA       GLU  28   3.230   5.680 -19.218
  238   1HB   GLU  28          1HB       GLU  28   5.277   6.811 -20.169
  239   2HB   GLU  28          2HB       GLU  28   5.725   5.269 -20.885
  240   1HG   GLU  28          1HG       GLU  28   4.674   6.607 -22.553
  241   2HG   GLU  28          2HG       GLU  28   3.593   5.279 -22.133
  242    HA   PRO  29           HA       PRO  29   2.072   1.489 -18.541
  243   1HB   PRO  29          1HB       PRO  29   0.812   1.927 -21.223
  244   2HB   PRO  29          2HB       PRO  29   0.144   1.147 -19.783
  245   1HG   PRO  29          1HG       PRO  29  -0.266   3.800 -20.479
  246   2HG   PRO  29          2HG       PRO  29  -0.468   3.131 -18.853
  247   1HD   PRO  29          1HD       PRO  29   1.454   5.055 -19.692
  248   2HD   PRO  29          2HD       PRO  29   1.369   4.244 -18.115
  249    H    GLN  30           H        GLN  30   4.323   0.830 -18.821
  250    HA   GLN  30           HA       GLN  30   4.986  -0.316 -21.419
  251   1HB   GLN  30          1HB       GLN  30   6.520  -0.089 -18.828
  252   2HB   GLN  30          2HB       GLN  30   7.129  -0.959 -20.228
  253   1HG   GLN  30          1HG       GLN  30   7.071   1.081 -21.546
  254   2HG   GLN  30          2HG       GLN  30   6.406   1.963 -20.174
  255   1HE2  GLN  30          1HE2      GLN  30   8.060   0.626 -18.226
  256   2HE2  GLN  30          2HE2      GLN  30   9.665   1.251 -18.416
  257    HA   PRO  31           HA       PRO  31   2.879  -4.024 -20.052
  258   1HB   PRO  31          1HB       PRO  31   3.428  -5.438 -22.343
  259   2HB   PRO  31          2HB       PRO  31   2.077  -4.314 -22.164
  260   1HG   PRO  31          1HG       PRO  31   4.742  -3.888 -23.439
  261   2HG   PRO  31          2HG       PRO  31   3.144  -3.332 -23.967
  262   1HD   PRO  31          1HD       PRO  31   4.894  -1.696 -22.739
  263   2HD   PRO  31          2HD       PRO  31   3.141  -1.550 -22.498
  264    H    HIS  32           H        HIS  32   6.153  -3.758 -21.211
  265    HA   HIS  32           HA       HIS  32   7.137  -6.311 -20.732
  266   1HB   HIS  32          1HB       HIS  32   8.342  -4.348 -21.801
  267   2HB   HIS  32          2HB       HIS  32   8.638  -3.744 -20.177
  268    HD1  HIS  32           HD1      HIS  32  10.214  -5.604 -22.736
  269    HD2  HIS  32           HD2      HIS  32  10.110  -5.899 -18.583
  270    HE1  HIS  32           HE1      HIS  32  12.234  -6.964 -22.096
  271    HE2  HIS  32           HE2      HIS  32  12.252  -6.954 -19.576
  272    H    GLN  33           H        GLN  33   6.339  -3.735 -18.504
  273    HA   GLN  33           HA       GLN  33   7.819  -4.804 -16.305
  274   1HB   GLN  33          1HB       GLN  33   7.321  -2.401 -16.510
  275   2HB   GLN  33          2HB       GLN  33   5.608  -2.746 -16.320
  276   1HG   GLN  33          1HG       GLN  33   5.977  -3.539 -14.069
  277   2HG   GLN  33          2HG       GLN  33   7.717  -3.335 -14.253
  278   1HE2  GLN  33          1HE2      GLN  33   5.883  -2.147 -12.314
  279   2HE2  GLN  33          2HE2      GLN  33   6.061  -0.438 -12.484
  280    H    PHE  34           H        PHE  34   4.702  -5.416 -17.645
  281    HA   PHE  34           HA       PHE  34   3.815  -6.666 -15.134
  282   1HB   PHE  34          1HB       PHE  34   2.142  -5.909 -17.531
  283   2HB   PHE  34          2HB       PHE  34   1.546  -6.504 -15.987
  284    HD1  PHE  34           HD1      PHE  34   1.807  -5.081 -13.949
  285    HD2  PHE  34           HD2      PHE  34   2.627  -3.628 -17.865
  286    HE1  PHE  34           HE1      PHE  34   1.654  -2.770 -13.120
  287    HE2  PHE  34           HE2      PHE  34   2.479  -1.315 -17.042
  288    HZ   PHE  34           HZ       PHE  34   1.991  -0.883 -14.666
  289    H    ASN  35           H        ASN  35   4.644  -7.313 -18.436
  290    HA   ASN  35           HA       ASN  35   3.342  -9.877 -18.537
  291   1HB   ASN  35          1HB       ASN  35   5.248  -8.456 -20.389
  292   2HB   ASN  35          2HB       ASN  35   4.728 -10.112 -20.680
  293   1HD2  ASN  35          1HD2      ASN  35   4.257  -7.667 -22.231
  294   2HD2  ASN  35          2HD2      ASN  35   2.532  -7.529 -22.367
  295    H    SER  36           H        SER  36   6.026  -8.861 -16.936
  296    HA   SER  36           HA       SER  36   7.514 -11.304 -17.067
  297   1HB   SER  36          1HB       SER  36   8.469 -10.450 -14.879
  298   2HB   SER  36          2HB       SER  36   8.643  -9.344 -16.244
  299    HG   SER  36           HG       SER  36   7.893  -8.246 -14.405
  300    H    THR  37           H        THR  37   4.838  -9.988 -15.277
  301    HA   THR  37           HA       THR  37   3.144 -10.933 -14.128
  302    HB   THR  37           HB       THR  37   4.126 -13.585 -15.193
  303    HG1  THR  37           HG1      THR  37   3.112 -11.367 -16.485
  304   1HG2  THR  37          1HG2      THR  37   2.280 -13.692 -13.548
  305   2HG2  THR  37          2HG2      THR  37   1.760 -14.194 -15.156
  306   3HG2  THR  37          3HG2      THR  37   1.341 -12.591 -14.555
  307    H    GLN  38           H        GLN  38   5.848 -10.666 -12.949
  308    HA   GLN  38           HA       GLN  38   5.974 -12.744 -10.944
  309   1HB   GLN  38          1HB       GLN  38   7.472 -10.151 -11.307
  310   2HB   GLN  38          2HB       GLN  38   7.714 -11.205  -9.924
  311   1HG   GLN  38          1HG       GLN  38   8.363 -13.018 -11.472
  312   2HG   GLN  38          2HG       GLN  38   8.224 -11.877 -12.809
  313   1HE2  GLN  38          1HE2      GLN  38  10.535 -13.369 -11.729
  314   2HE2  GLN  38          2HE2      GLN  38  11.734 -12.163 -11.368
  315    HA   PRO  39           HA       PRO  39   3.134 -11.078  -8.049
  316   1HB   PRO  39          1HB       PRO  39   4.459 -11.592  -5.685
  317   2HB   PRO  39          2HB       PRO  39   3.510 -12.778  -6.586
  318   1HG   PRO  39          1HG       PRO  39   6.467 -12.338  -6.559
  319   2HG   PRO  39          2HG       PRO  39   5.560 -13.863  -6.577
  320   1HD   PRO  39          1HD       PRO  39   6.708 -12.885  -8.796
  321   2HD   PRO  39          2HD       PRO  39   5.150 -13.735  -8.855
  322    H    PHE  40           H        PHE  40   6.511 -10.143  -7.623
  323    HA   PHE  40           HA       PHE  40   5.597  -7.512  -6.657
  324   1HB   PHE  40          1HB       PHE  40   7.996  -9.116  -5.771
  325   2HB   PHE  40          2HB       PHE  40   7.801  -7.404  -5.414
  326    HD1  PHE  40           HD1      PHE  40   6.115  -6.646  -3.848
  327    HD2  PHE  40           HD2      PHE  40   6.682 -10.786  -4.643
  328    HE1  PHE  40           HE1      PHE  40   4.846  -7.205  -1.818
  329    HE2  PHE  40           HE2      PHE  40   5.408 -11.353  -2.615
  330    HZ   PHE  40           HZ       PHE  40   4.493  -9.560  -1.201
  331    H    PHE  41           H        PHE  41   6.681  -8.864  -9.298
  332    HA   PHE  41           HA       PHE  41   8.086  -8.400 -11.038
  333   1HB   PHE  41          1HB       PHE  41   7.509  -5.567 -10.138
  334   2HB   PHE  41          2HB       PHE  41   8.080  -6.045 -11.734
  335    HD1  PHE  41           HD1      PHE  41   6.488  -8.119 -12.678
  336    HD2  PHE  41           HD2      PHE  41   5.319  -4.932 -10.109
  337    HE1  PHE  41           HE1      PHE  41   4.157  -8.366 -13.436
  338    HE2  PHE  41           HE2      PHE  41   2.990  -5.180 -10.857
  339    HZ   PHE  41           HZ       PHE  41   2.406  -6.899 -12.521
  340    H    MET  42           H        MET  42   9.716  -9.284  -9.290
  341    HA   MET  42           HA       MET  42  11.456  -7.399  -8.029
  342   1HB   MET  42          1HB       MET  42  11.827 -10.379  -8.365
  343   2HB   MET  42          2HB       MET  42  12.639  -9.345  -7.198
  344   1HG   MET  42          1HG       MET  42  10.619  -8.983  -5.996
  345   2HG   MET  42          2HG       MET  42   9.665  -9.773  -7.251
  346   1HE   MET  42          1HE       MET  42   8.480 -11.336  -5.423
  347   2HE   MET  42          2HE       MET  42   9.403 -10.501  -4.174
  348   3HE   MET  42          3HE       MET  42   9.379 -12.263  -4.222
  349    H    ASP  43           H        ASP  43  11.612  -9.402 -10.919
  350    HA   ASP  43           HA       ASP  43  14.419  -8.662 -11.328
  351   1HB   ASP  43          1HB       ASP  43  12.639 -10.662 -12.726
  352   2HB   ASP  43          2HB       ASP  43  14.275 -10.285 -13.254
  353    H    THR  44           H        THR  44  11.346  -7.661 -12.246
  354    HA   THR  44           HA       THR  44  12.053  -6.843 -14.925
  355    HB   THR  44           HB       THR  44   9.593  -5.848 -13.569
  356    HG1  THR  44           HG1      THR  44  10.190  -8.557 -14.223
  357   1HG2  THR  44          1HG2      THR  44  10.202  -6.975 -16.301
  358   2HG2  THR  44          2HG2      THR  44   9.980  -5.273 -15.892
  359   3HG2  THR  44          3HG2      THR  44   8.623  -6.396 -15.772
  360    H    MET  45           H        MET  45  11.876  -5.474 -11.743
  361    HA   MET  45           HA       MET  45  13.424  -3.214 -12.465
  362   1HB   MET  45          1HB       MET  45  11.002  -2.648 -13.241
  363   2HB   MET  45          2HB       MET  45  10.652  -2.494 -11.525
  364   1HG   MET  45          1HG       MET  45  12.283  -0.740 -11.302
  365   2HG   MET  45          2HG       MET  45  12.780  -0.945 -12.981
  366   1HE   MET  45          1HE       MET  45   9.488   0.156 -14.862
  367   2HE   MET  45          2HE       MET  45   9.873  -1.471 -14.305
  368   3HE   MET  45          3HE       MET  45  11.124  -0.478 -15.052
  369    H    GLU  46           H        GLU  46  13.091  -1.590 -10.326
  370    HA   GLU  46           HA       GLU  46  13.988  -3.202  -8.171
  371   1HB   GLU  46          1HB       GLU  46  13.062  -0.330  -8.022
  372   2HB   GLU  46          2HB       GLU  46  14.138  -1.157  -6.906
  373   1HG   GLU  46          1HG       GLU  46  14.695  -0.298  -9.726
  374   2HG   GLU  46          2HG       GLU  46  15.491   0.232  -8.245
  375    HA   PRO  47           HA       PRO  47  10.175  -4.535  -6.423
  376   1HB   PRO  47          1HB       PRO  47  10.921  -4.550  -3.759
  377   2HB   PRO  47          2HB       PRO  47  11.268  -5.841  -4.913
  378   1HG   PRO  47          1HG       PRO  47  13.024  -3.601  -3.990
  379   2HG   PRO  47          2HG       PRO  47  13.432  -5.305  -4.277
  380   1HD   PRO  47          1HD       PRO  47  14.073  -3.420  -6.058
  381   2HD   PRO  47          2HD       PRO  47  13.521  -5.025  -6.581
  382    H    LEU  48           H        LEU  48  11.554  -1.511  -5.731
  383    HA   LEU  48           HA       LEU  48   9.564  -0.601  -3.870
  384   1HB   LEU  48          1HB       LEU  48  11.574   0.967  -5.488
  385   2HB   LEU  48          2HB       LEU  48  10.620   1.594  -4.158
  386    HG   LEU  48           HG       LEU  48  12.721  -0.566  -3.932
  387   1HD1  LEU  48          1HD1      LEU  48  14.024   1.129  -2.756
  388   2HD1  LEU  48          2HD1      LEU  48  12.765   2.322  -3.074
  389   3HD1  LEU  48          3HD1      LEU  48  13.678   1.626  -4.413
  390   1HD2  LEU  48          1HD2      LEU  48  11.094   0.847  -1.821
  391   2HD2  LEU  48          2HD2      LEU  48  12.426  -0.269  -1.515
  392   3HD2  LEU  48          3HD2      LEU  48  10.949  -0.848  -2.289
  393    H    GLU  49           H        GLU  49   9.915  -0.730  -7.321
  394    HA   GLU  49           HA       GLU  49   7.960   1.345  -7.816
  395   1HB   GLU  49          1HB       GLU  49   9.573  -0.471  -9.569
  396   2HB   GLU  49          2HB       GLU  49   8.181   0.368 -10.231
  397   1HG   GLU  49          1HG       GLU  49  10.043   1.701 -10.734
  398   2HG   GLU  49          2HG       GLU  49   9.214   2.508  -9.406
  399    H    TRP  50           H        TRP  50   7.621  -1.636  -6.657
  400    HA   TRP  50           HA       TRP  50   5.240  -2.354  -8.162
  401   1HB   TRP  50          1HB       TRP  50   6.709  -4.161  -7.410
  402   2HB   TRP  50          2HB       TRP  50   6.538  -3.630  -5.740
  403    HD1  TRP  50           HD1      TRP  50   4.593  -5.405  -8.527
  404    HE1  TRP  50           HE1      TRP  50   2.637  -6.687  -7.460
  405    HE3  TRP  50           HE3      TRP  50   4.993  -3.659  -3.739
  406    HZ2  TRP  50           HZ2      TRP  50   1.414  -6.919  -4.926
  407    HZ3  TRP  50           HZ3      TRP  50   3.389  -4.455  -2.057
  408    HH2  TRP  50           HH2      TRP  50   1.636  -6.049  -2.638
  409    H    LEU  51           H        LEU  51   6.190  -1.093  -5.036
  410    HA   LEU  51           HA       LEU  51   3.795  -1.178  -3.644
  411   1HB   LEU  51          1HB       LEU  51   6.058  -0.575  -2.757
  412   2HB   LEU  51          2HB       LEU  51   5.881   0.998  -3.508
  413    HG   LEU  51           HG       LEU  51   3.886   1.410  -2.083
  414   1HD1  LEU  51          1HD1      LEU  51   3.231  -0.888  -1.671
  415   2HD1  LEU  51          2HD1      LEU  51   3.526  -0.053  -0.146
  416   3HD1  LEU  51          3HD1      LEU  51   4.727  -1.177  -0.783
  417   1HD2  LEU  51          1HD2      LEU  51   5.150   1.777  -0.017
  418   2HD2  LEU  51          2HD2      LEU  51   6.072   2.262  -1.441
  419   3HD2  LEU  51          3HD2      LEU  51   6.441   0.741  -0.626
  420    H    GLN  52           H        GLN  52   5.101   1.446  -5.646
  421    HA   GLN  52           HA       GLN  52   2.444   2.675  -5.686
  422   1HB   GLN  52          1HB       GLN  52   3.608   4.646  -6.656
  423   2HB   GLN  52          2HB       GLN  52   4.187   4.213  -5.055
  424   1HG   GLN  52          1HG       GLN  52   6.153   3.182  -5.996
  425   2HG   GLN  52          2HG       GLN  52   5.558   3.475  -7.631
  426   1HE2  GLN  52          1HE2      GLN  52   8.021   4.385  -6.316
  427   2HE2  GLN  52          2HE2      GLN  52   7.993   6.116  -6.419
  428    H    TRP  53           H        TRP  53   1.789   3.611  -7.804
  429    HA   TRP  53           HA       TRP  53   1.271   3.472  -9.997
  430   1HB   TRP  53          1HB       TRP  53   3.665   3.608 -10.470
  431   2HB   TRP  53          2HB       TRP  53   3.820   1.865 -10.268
  432    HD1  TRP  53           HD1      TRP  53   3.810   0.576 -12.481
  433    HE1  TRP  53           HE1      TRP  53   2.886   0.976 -14.850
  434    HE3  TRP  53           HE3      TRP  53   1.449   5.048 -11.694
  435    HZ2  TRP  53           HZ2      TRP  53   1.348   2.915 -16.200
  436    HZ3  TRP  53           HZ3      TRP  53   0.273   6.104 -13.578
  437    HH2  TRP  53           HH2      TRP  53   0.225   5.060 -15.785
  438    H    VAL  54           H        VAL  54   2.421   0.319  -8.761
  439    HA   VAL  54           HA       VAL  54   0.294  -0.978 -10.287
  440    HB   VAL  54           HB       VAL  54   2.430  -2.265  -8.582
  441   1HG1  VAL  54          1HG1      VAL  54   0.427  -3.639  -8.827
  442   2HG1  VAL  54          2HG1      VAL  54   1.777  -4.329  -9.733
  443   3HG1  VAL  54          3HG1      VAL  54   0.500  -3.450 -10.580
  444   1HG2  VAL  54          1HG2      VAL  54   3.513  -2.842 -10.705
  445   2HG2  VAL  54          2HG2      VAL  54   3.409  -1.093 -10.486
  446   3HG2  VAL  54          3HG2      VAL  54   2.291  -1.915 -11.577
  447    H    LEU  55           H        LEU  55   1.524  -1.349  -6.945
  448    HA   LEU  55           HA       LEU  55  -0.645  -2.812  -6.032
  449   1HB   LEU  55          1HB       LEU  55   1.471  -2.696  -4.846
  450   2HB   LEU  55          2HB       LEU  55   1.190  -1.008  -4.464
  451    HG   LEU  55           HG       LEU  55  -0.787  -1.679  -3.118
  452   1HD1  LEU  55          1HD1      LEU  55  -1.297  -3.777  -4.239
  453   2HD1  LEU  55          2HD1      LEU  55  -1.069  -4.020  -2.507
  454   3HD1  LEU  55          3HD1      LEU  55   0.207  -4.472  -3.637
  455   1HD2  LEU  55          1HD2      LEU  55   0.485  -2.591  -1.244
  456   2HD2  LEU  55          2HD2      LEU  55   1.359  -1.287  -2.049
  457   3HD2  LEU  55          3HD2      LEU  55   1.819  -2.967  -2.335
  458    H    ILE  56           H        ILE  56  -0.118   0.702  -5.611
  459    HA   ILE  56           HA       ILE  56  -2.373   1.122  -4.035
  460    HB   ILE  56           HB       ILE  56  -0.994   3.111  -5.838
  461   1HG1  ILE  56          1HG1      ILE  56  -0.734   2.585  -2.875
  462   2HG1  ILE  56          2HG1      ILE  56   0.427   2.077  -4.096
  463   1HG2  ILE  56          1HG2      ILE  56  -3.238   3.868  -5.305
  464   2HG2  ILE  56          2HG2      ILE  56  -2.035   4.825  -4.443
  465   3HG2  ILE  56          3HG2      ILE  56  -2.940   3.574  -3.591
  466   1HD1  ILE  56          1HD1      ILE  56   0.865   4.419  -4.643
  467   2HD1  ILE  56          2HD1      ILE  56   1.181   4.073  -2.943
  468   3HD1  ILE  56          3HD1      ILE  56  -0.293   4.919  -3.411
  469    HA   PRO  57           HA       PRO  57  -5.005   2.370  -7.895
  470   1HB   PRO  57          1HB       PRO  57  -3.555   1.208 -10.185
  471   2HB   PRO  57          2HB       PRO  57  -4.311   2.795 -10.021
  472   1HG   PRO  57          1HG       PRO  57  -1.658   2.534 -10.038
  473   2HG   PRO  57          2HG       PRO  57  -2.456   3.717  -8.984
  474   1HD   PRO  57          1HD       PRO  57  -1.369   1.004  -8.298
  475   2HD   PRO  57          2HD       PRO  57  -1.198   2.534  -7.426
  476    H    ARG  58           H        ARG  58  -3.141  -0.623  -8.081
  477    HA   ARG  58           HA       ARG  58  -5.098  -2.287  -9.201
  478   1HB   ARG  58          1HB       ARG  58  -2.800  -3.007  -8.994
  479   2HB   ARG  58          2HB       ARG  58  -2.886  -2.911  -7.243
  480   1HG   ARG  58          1HG       ARG  58  -4.461  -4.754  -7.196
  481   2HG   ARG  58          2HG       ARG  58  -4.450  -4.828  -8.958
  482   1HD   ARG  58          1HD       ARG  58  -2.118  -5.418  -8.972
  483   2HD   ARG  58          2HD       ARG  58  -2.011  -5.187  -7.229
  484    HE   ARG  58           HE       ARG  58  -3.941  -7.094  -7.536
  485   1HH1  ARG  58          1HH1      ARG  58  -0.622  -6.796  -8.599
  486   2HH1  ARG  58          2HH1      ARG  58  -0.312  -8.501  -8.552
  487   1HH2  ARG  58          1HH2      ARG  58  -3.546  -9.325  -7.447
  488   2HH2  ARG  58          2HH2      ARG  58  -1.968  -9.941  -7.856
  489    H    MET  59           H        MET  59  -4.398  -1.465  -5.827
  490    HA   MET  59           HA       MET  59  -6.489  -3.095  -4.777
  491   1HB   MET  59          1HB       MET  59  -4.824  -0.898  -3.563
  492   2HB   MET  59          2HB       MET  59  -6.058  -1.767  -2.660
  493   1HG   MET  59          1HG       MET  59  -3.607  -2.950  -3.940
  494   2HG   MET  59          2HG       MET  59  -3.883  -2.702  -2.216
  495   1HE   MET  59          1HE       MET  59  -3.241  -5.257  -1.773
  496   2HE   MET  59          2HE       MET  59  -2.988  -5.504  -3.502
  497   3HE   MET  59          3HE       MET  59  -4.016  -6.612  -2.593
  498    H    HIS  60           H        HIS  60  -6.263   0.261  -5.800
  499    HA   HIS  60           HA       HIS  60  -8.585   1.310  -4.693
  500   1HB   HIS  60          1HB       HIS  60  -7.088   1.863  -7.214
  501   2HB   HIS  60          2HB       HIS  60  -8.705   2.536  -7.059
  502    HD1  HIS  60           HD1      HIS  60  -9.036   4.471  -5.407
  503    HD2  HIS  60           HD2      HIS  60  -5.153   2.989  -5.505
  504    HE1  HIS  60           HE1      HIS  60  -7.630   6.172  -4.204
  505    HE2  HIS  60           HE2      HIS  60  -5.258   5.396  -4.553
  506    H    ASP  61           H        ASP  61  -8.225  -0.479  -7.733
  507    HA   ASP  61           HA       ASP  61 -10.998  -0.479  -8.362
  508   1HB   ASP  61          1HB       ASP  61  -9.430  -0.764 -10.150
  509   2HB   ASP  61          2HB       ASP  61  -8.693  -2.156  -9.361
  510    H    LEU  62           H        LEU  62  -8.867  -2.748  -6.715
  511    HA   LEU  62           HA       LEU  62 -10.639  -4.927  -6.567
  512   1HB   LEU  62          1HB       LEU  62  -8.199  -5.031  -6.125
  513   2HB   LEU  62          2HB       LEU  62  -8.444  -4.134  -4.643
  514    HG   LEU  62           HG       LEU  62  -9.874  -6.740  -5.006
  515   1HD1  LEU  62          1HD1      LEU  62  -7.568  -7.215  -5.639
  516   2HD1  LEU  62          2HD1      LEU  62  -7.950  -7.920  -4.069
  517   3HD1  LEU  62          3HD1      LEU  62  -6.994  -6.441  -4.162
  518   1HD2  LEU  62          1HD2      LEU  62  -9.568  -6.852  -2.578
  519   2HD2  LEU  62          2HD2      LEU  62 -10.376  -5.358  -3.051
  520   3HD2  LEU  62          3HD2      LEU  62  -8.667  -5.337  -2.619
  521    H    LEU  63           H        LEU  63 -10.011  -2.252  -4.340
  522    HA   LEU  63           HA       LEU  63 -11.814  -2.998  -2.318
  523   1HB   LEU  63          1HB       LEU  63 -10.913  -0.240  -3.167
  524   2HB   LEU  63          2HB       LEU  63 -11.717  -0.615  -1.655
  525    HG   LEU  63           HG       LEU  63  -9.046  -1.769  -2.450
  526   1HD1  LEU  63          1HD1      LEU  63  -8.856   0.643  -2.270
  527   2HD1  LEU  63          2HD1      LEU  63  -8.073  -0.141  -0.899
  528   3HD1  LEU  63          3HD1      LEU  63  -9.657   0.608  -0.700
  529   1HD2  LEU  63          1HD2      LEU  63 -10.503  -1.654   0.188
  530   2HD2  LEU  63          2HD2      LEU  63  -8.887  -2.309  -0.069
  531   3HD2  LEU  63          3HD2      LEU  63 -10.282  -3.086  -0.815
  532    H    ASP  64           H        ASP  64 -12.206  -1.008  -5.203
  533    HA   ASP  64           HA       ASP  64 -14.840  -0.145  -4.651
  534   1HB   ASP  64          1HB       ASP  64 -13.487   1.077  -6.218
  535   2HB   ASP  64          2HB       ASP  64 -13.303  -0.345  -7.240
  536    H    ASN  65           H        ASN  65 -13.555  -2.967  -6.298
  537    HA   ASN  65           HA       ASN  65 -16.107  -3.769  -7.365
  538   1HB   ASN  65          1HB       ASN  65 -13.356  -4.911  -7.366
  539   2HB   ASN  65          2HB       ASN  65 -14.707  -5.998  -7.678
  540   1HD2  ASN  65          1HD2      ASN  65 -12.904  -3.264  -8.815
  541   2HD2  ASN  65          2HD2      ASN  65 -13.541  -3.262 -10.424
  542    H    LYS  66           H        LYS  66 -15.348  -3.584  -4.329
  543    HA   LYS  66           HA       LYS  66 -16.150  -4.498  -2.419
  544   1HB   LYS  66          1HB       LYS  66 -17.935  -6.085  -4.278
  545   2HB   LYS  66          2HB       LYS  66 -18.124  -5.994  -2.537
  546   1HG   LYS  66          1HG       LYS  66 -19.689  -4.478  -3.275
  547   2HG   LYS  66          2HG       LYS  66 -18.305  -3.436  -2.939
  548   1HD   LYS  66          1HD       LYS  66 -17.705  -3.467  -5.309
  549   2HD   LYS  66          2HD       LYS  66 -19.084  -4.517  -5.649
  550   1HE   LYS  66          1HE       LYS  66 -20.612  -2.778  -4.922
  551   2HE   LYS  66          2HE       LYS  66 -19.255  -1.735  -4.496
  552   1HZ   LYS  66          1HZ       LYS  66 -20.180  -1.144  -6.644
  553   2HZ   LYS  66          2HZ       LYS  66 -19.902  -2.709  -7.229
  554   3HZ   LYS  66          3HZ       LYS  66 -18.593  -1.711  -6.824
  555    H    GLN  67           H        GLN  67 -13.996  -5.869  -4.112
  556    HA   GLN  67           HA       GLN  67 -14.211  -8.654  -3.613
  557   1HB   GLN  67          1HB       GLN  67 -11.862  -6.900  -4.324
  558   2HB   GLN  67          2HB       GLN  67 -11.731  -8.643  -4.132
  559   1HG   GLN  67          1HG       GLN  67 -13.491  -7.221  -6.115
  560   2HG   GLN  67          2HG       GLN  67 -11.951  -8.005  -6.472
  561   1HE2  GLN  67          1HE2      GLN  67 -11.819 -10.263  -6.392
  562   2HE2  GLN  67          2HE2      GLN  67 -13.239 -11.253  -6.484
  563    HA   PRO  68           HA       PRO  68 -13.085  -8.861   0.680
  564   1HB   PRO  68          1HB       PRO  68 -11.956 -11.495  -0.084
  565   2HB   PRO  68          2HB       PRO  68 -13.174 -11.105   1.134
  566   1HG   PRO  68          1HG       PRO  68 -13.864 -12.283  -1.155
  567   2HG   PRO  68          2HG       PRO  68 -14.895 -11.045  -0.413
  568   1HD   PRO  68          1HD       PRO  68 -13.019 -10.804  -2.735
  569   2HD   PRO  68          2HD       PRO  68 -14.636 -10.102  -2.513
  570    H    LEU  69           H        LEU  69 -11.243  -8.666   1.930
  571    HA   LEU  69           HA       LEU  69  -8.868  -7.924   0.442
  572   1HB   LEU  69          1HB       LEU  69  -9.430  -7.853   3.410
  573   2HB   LEU  69          2HB       LEU  69  -8.031  -7.151   2.621
  574    HG   LEU  69           HG       LEU  69 -10.896  -6.273   2.240
  575   1HD1  LEU  69          1HD1      LEU  69 -10.014  -5.668   4.423
  576   2HD1  LEU  69          2HD1      LEU  69 -10.174  -4.241   3.400
  577   3HD1  LEU  69          3HD1      LEU  69  -8.586  -4.959   3.666
  578   1HD2  LEU  69          1HD2      LEU  69  -9.595  -5.979   0.207
  579   2HD2  LEU  69          2HD2      LEU  69  -8.328  -5.155   1.118
  580   3HD2  LEU  69          3HD2      LEU  69  -9.923  -4.419   0.965
  581    HA   PRO  70           HA       PRO  70  -6.788 -11.868   0.867
  582   1HB   PRO  70          1HB       PRO  70  -4.255 -10.610   0.887
  583   2HB   PRO  70          2HB       PRO  70  -5.070 -11.328  -0.503
  584   1HG   PRO  70          1HG       PRO  70  -4.900  -8.488   0.333
  585   2HG   PRO  70          2HG       PRO  70  -5.038  -9.180  -1.293
  586   1HD   PRO  70          1HD       PRO  70  -7.115  -7.972  -0.086
  587   2HD   PRO  70          2HD       PRO  70  -7.341  -9.376  -1.151
  588    H    GLY  71           H        GLY  71  -6.901 -12.746   2.810
  589   1HA   GLY  71          1HA       GLY  71  -6.794 -11.331   5.215
  590   2HA   GLY  71          2HA       GLY  71  -6.747 -13.078   5.064
  591    H    ALA  72           H        ALA  72  -4.208 -12.934   3.480
  592    HA   ALA  72           HA       ALA  72  -2.462 -12.443   5.803
  593   1HB   ALA  72          1HB       ALA  72  -2.657 -14.807   5.228
  594   2HB   ALA  72          2HB       ALA  72  -1.017 -14.215   4.957
  595   3HB   ALA  72          3HB       ALA  72  -2.104 -14.459   3.589
  596    H    PHE  73           H        PHE  73  -3.233 -10.553   3.660
  597    HA   PHE  73           HA       PHE  73  -0.926 -10.179   2.013
  598   1HB   PHE  73          1HB       PHE  73  -3.162  -9.275   1.420
  599   2HB   PHE  73          2HB       PHE  73  -3.057  -8.171   2.786
  600    HD1  PHE  73           HD1      PHE  73  -1.691  -8.986  -0.527
  601    HD2  PHE  73           HD2      PHE  73  -1.736  -6.182   2.678
  602    HE1  PHE  73           HE1      PHE  73  -0.559  -7.336  -1.958
  603    HE2  PHE  73           HE2      PHE  73  -0.606  -4.530   1.249
  604    HZ   PHE  73           HZ       PHE  73  -0.016  -5.104  -1.070
  605    H    ALA  74           H        ALA  74   0.986  -9.634   2.782
  606    HA   ALA  74           HA       ALA  74   1.204  -7.446   4.674
  607   1HB   ALA  74          1HB       ALA  74   2.703  -8.645   6.164
  608   2HB   ALA  74          2HB       ALA  74   2.517 -10.109   5.200
  609   3HB   ALA  74          3HB       ALA  74   1.139  -9.457   6.086
  610    H    VAL  75           H        VAL  75   2.390  -6.084   3.513
  611    HA   VAL  75           HA       VAL  75   4.588  -7.175   1.887
  612    HB   VAL  75           HB       VAL  75   4.655  -4.968   0.778
  613   1HG1  VAL  75          1HG1      VAL  75   1.961  -6.315   0.778
  614   2HG1  VAL  75          2HG1      VAL  75   3.365  -6.784  -0.181
  615   3HG1  VAL  75          3HG1      VAL  75   2.572  -5.237  -0.478
  616   1HG2  VAL  75          1HG2      VAL  75   2.805  -3.387   1.121
  617   2HG2  VAL  75          2HG2      VAL  75   3.785  -3.577   2.573
  618   3HG2  VAL  75          3HG2      VAL  75   2.217  -4.377   2.457
  619    H    ALA  76           H        ALA  76   3.973  -5.452   4.764
  620    HA   ALA  76           HA       ALA  76   6.249  -3.865   5.002
  621   1HB   ALA  76          1HB       ALA  76   5.929  -3.984   7.407
  622   2HB   ALA  76          2HB       ALA  76   4.855  -5.368   7.210
  623   3HB   ALA  76          3HB       ALA  76   4.384  -3.789   6.579
  624    HA   PRO  77           HA       PRO  77   8.581  -7.708   6.975
  625   1HB   PRO  77          1HB       PRO  77   7.717 -10.125   5.967
  626   2HB   PRO  77          2HB       PRO  77   7.271  -9.477   7.549
  627   1HG   PRO  77          1HG       PRO  77   5.747  -9.397   4.972
  628   2HG   PRO  77          2HG       PRO  77   5.157  -9.711   6.616
  629   1HD   PRO  77          1HD       PRO  77   4.815  -7.327   5.459
  630   2HD   PRO  77          2HD       PRO  77   5.186  -7.463   7.191
  631    H    TYR  78           H        TYR  78   7.320  -7.525   3.727
  632    HA   TYR  78           HA       TYR  78   9.584  -8.838   2.526
  633   1HB   TYR  78          1HB       TYR  78   7.388  -8.875   1.412
  634   2HB   TYR  78          2HB       TYR  78   7.428  -7.121   1.267
  635    HD1  TYR  78           HD1      TYR  78   8.980 -10.258   0.099
  636    HD2  TYR  78           HD2      TYR  78   8.673  -6.053  -0.479
  637    HE1  TYR  78           HE1      TYR  78  10.162 -10.471  -2.047
  638    HE2  TYR  78           HE2      TYR  78   9.849  -6.258  -2.629
  639    HH   TYR  78           HH       TYR  78  11.503  -7.890  -3.669
  640    H    TYR  79           H        TYR  79   8.399  -5.481   2.703
  641    HA   TYR  79           HA       TYR  79  10.699  -4.414   1.400
  642   1HB   TYR  79          1HB       TYR  79   8.391  -3.180   2.872
  643   2HB   TYR  79          2HB       TYR  79   9.748  -2.201   2.322
  644    HD1  TYR  79           HD2      TYR  79  10.208  -1.947  -0.075
  645    HD2  TYR  79           HD1      TYR  79   6.780  -4.058   1.304
  646    HE1  TYR  79           HE2      TYR  79   9.215  -1.787  -2.316
  647    HE2  TYR  79           HE1      TYR  79   5.779  -3.905  -0.939
  648    HH   TYR  79           HH       TYR  79   7.547  -2.996  -3.679
  649    H    GLU  80           H        GLU  80  10.096  -5.403   4.596
  650    HA   GLU  80           HA       GLU  80  11.939  -3.811   5.998
  651   1HB   GLU  80          1HB       GLU  80  10.333  -5.351   7.082
  652   2HB   GLU  80          2HB       GLU  80  11.241  -6.720   6.457
  653   1HG   GLU  80          1HG       GLU  80  13.218  -5.889   7.732
  654   2HG   GLU  80          2HG       GLU  80  12.157  -4.688   8.469
  655    H    MET  81           H        MET  81  12.339  -6.426   3.757
  656    HA   MET  81           HA       MET  81  15.226  -6.531   4.304
  657   1HB   MET  81          1HB       MET  81  13.554  -8.359   2.570
  658   2HB   MET  81          2HB       MET  81  15.246  -8.579   2.983
  659   1HG   MET  81          1HG       MET  81  14.661  -8.913   5.310
  660   2HG   MET  81          2HG       MET  81  12.961  -8.618   4.939
  661   1HE   MET  81          1HE       MET  81  12.180 -11.649   2.540
  662   2HE   MET  81          2HE       MET  81  12.794 -10.062   2.070
  663   3HE   MET  81          3HE       MET  81  11.531 -10.194   3.296
  664    H    ALA  82           H        ALA  82  12.827  -5.912   1.810
  665    HA   ALA  82           HA       ALA  82  14.612  -5.637  -0.355
  666   1HB   ALA  82          1HB       ALA  82  12.752  -4.596  -1.536
  667   2HB   ALA  82          2HB       ALA  82  11.867  -4.437  -0.017
  668   3HB   ALA  82          3HB       ALA  82  12.225  -6.037  -0.667
  669    H    LEU  83           H        LEU  83  13.452  -3.384   2.064
  670    HA   LEU  83           HA       LEU  83  14.981  -1.231   0.791
  671   1HB   LEU  83          1HB       LEU  83  12.605  -0.801   1.405
  672   2HB   LEU  83          2HB       LEU  83  13.024  -1.072   3.086
  673    HG   LEU  83           HG       LEU  83  14.481   0.883   3.075
  674   1HD1  LEU  83          1HD1      LEU  83  15.230   0.759   0.747
  675   2HD1  LEU  83          2HD1      LEU  83  14.604   2.359   1.140
  676   3HD1  LEU  83          3HD1      LEU  83  13.620   1.234   0.203
  677   1HD2  LEU  83          1HD2      LEU  83  12.129   1.196   3.621
  678   2HD2  LEU  83          2HD2      LEU  83  11.754   1.449   1.917
  679   3HD2  LEU  83          3HD2      LEU  83  12.768   2.607   2.778
  680    H    ALA  84           H        ALA  84  16.944  -0.917   1.480
  681    HA   ALA  84           HA       ALA  84  18.178  -2.455   3.430
  682   1HB   ALA  84          1HB       ALA  84  20.124  -1.040   3.104
  683   2HB   ALA  84          2HB       ALA  84  19.125   0.169   2.298
  684   3HB   ALA  84          3HB       ALA  84  19.354  -1.416   1.562
  685    H    THR  85           H        THR  85  19.015  -2.041   5.446
  686    HA   THR  85           HA       THR  85  17.415  -0.502   7.203
  687    HB   THR  85           HB       THR  85  19.186  -1.180   8.875
  688    HG1  THR  85           HG1      THR  85  20.997  -1.478   7.665
  689   1HG2  THR  85          1HG2      THR  85  17.156  -2.517   8.501
  690   2HG2  THR  85          2HG2      THR  85  18.547  -3.535   8.881
  691   3HG2  THR  85          3HG2      THR  85  17.985  -3.396   7.214
  692    H    ASP  86           H        ASP  86  19.983   0.321   5.225
  693    HA   ASP  86           HA       ASP  86  21.515   2.019   6.863
  694   1HB   ASP  86          1HB       ASP  86  21.207   1.987   3.857
  695   2HB   ASP  86          2HB       ASP  86  22.492   2.792   4.747
  696    H    HIS  87           H        HIS  87  18.438   2.444   5.559
  697    HA   HIS  87           HA       HIS  87  18.644   5.351   5.994
  698   1HB   HIS  87          1HB       HIS  87  18.025   4.494   3.628
  699   2HB   HIS  87          2HB       HIS  87  16.482   4.046   4.343
  700    HD1  HIS  87           HD1      HIS  87  18.427   6.932   3.098
  701    HD2  HIS  87           HD2      HIS  87  14.874   6.273   5.157
  702    HE1  HIS  87           HE1      HIS  87  17.177   9.107   3.002
  703    HE2  HIS  87           HE2      HIS  87  15.177   8.758   4.483
  704    HA   PRO  88           HA       PRO  88  16.356   3.566   9.563
  705   1HB   PRO  88          1HB       PRO  88  16.550   5.927  11.004
  706   2HB   PRO  88          2HB       PRO  88  17.708   4.597  11.062
  707   1HG   PRO  88          1HG       PRO  88  17.823   7.142   9.502
  708   2HG   PRO  88          2HG       PRO  88  19.124   6.279  10.348
  709   1HD   PRO  88          1HD       PRO  88  18.881   6.139   7.693
  710   2HD   PRO  88          2HD       PRO  88  19.365   4.720   8.645
  711    H    GLN  89           H        GLN  89  15.762   6.515   7.779
  712    HA   GLN  89           HA       GLN  89  13.239   7.122   8.936
  713   1HB   GLN  89          1HB       GLN  89  14.333   7.849   6.217
  714   2HB   GLN  89          2HB       GLN  89  12.903   8.555   6.958
  715   1HG   GLN  89          1HG       GLN  89  14.280   9.444   8.766
  716   2HG   GLN  89          2HG       GLN  89  15.711   8.736   8.017
  717   1HE2  GLN  89          1HE2      GLN  89  15.092  11.508   8.615
  718   2HE2  GLN  89          2HE2      GLN  89  15.200  12.360   7.110
  719    H    ARG  90           H        ARG  90  14.116   4.472   7.185
  720    HA   ARG  90           HA       ARG  90  11.937   4.102   5.432
  721   1HB   ARG  90          1HB       ARG  90  12.565   1.801   5.340
  722   2HB   ARG  90          2HB       ARG  90  14.050   2.730   5.474
  723   1HG   ARG  90          1HG       ARG  90  14.254   2.177   7.801
  724   2HG   ARG  90          2HG       ARG  90  12.681   1.378   7.788
  725   1HD   ARG  90          1HD       ARG  90  13.622  -0.180   6.039
  726   2HD   ARG  90          2HD       ARG  90  15.203   0.522   6.382
  727    HE   ARG  90           HE       ARG  90  14.304  -0.219   8.832
  728   1HH1  ARG  90          1HH1      ARG  90  14.670  -1.890   5.771
  729   2HH1  ARG  90          2HH1      ARG  90  14.874  -3.453   6.498
  730   1HH2  ARG  90          1HH2      ARG  90  14.618  -2.276   9.800
  731   2HH2  ARG  90          2HH2      ARG  90  14.870  -3.675   8.790
  732    H    ALA  91           H        ALA  91  12.215   4.005   8.839
  733    HA   ALA  91           HA       ALA  91  10.200   2.245   9.594
  734   1HB   ALA  91          1HB       ALA  91  10.116   3.478  11.690
  735   2HB   ALA  91          2HB       ALA  91  10.988   4.821  10.950
  736   3HB   ALA  91          3HB       ALA  91  11.786   3.263  11.165
  737    H    LEU  92           H        LEU  92  10.009   5.569   8.457
  738    HA   LEU  92           HA       LEU  92   7.319   6.070   9.118
  739   1HB   LEU  92          1HB       LEU  92   8.962   7.133   6.816
  740   2HB   LEU  92          2HB       LEU  92   7.419   7.785   7.326
  741    HG   LEU  92           HG       LEU  92   9.941   7.759   8.987
  742   1HD1  LEU  92          1HD1      LEU  92   8.538  10.007   7.548
  743   2HD1  LEU  92          2HD1      LEU  92  10.102   9.311   7.129
  744   3HD1  LEU  92          3HD1      LEU  92   9.906  10.189   8.644
  745   1HD2  LEU  92          1HD2      LEU  92   7.242   8.999   9.525
  746   2HD2  LEU  92          2HD2      LEU  92   8.684   9.192  10.522
  747   3HD2  LEU  92          3HD2      LEU  92   7.931   7.606  10.360
  748    H    ILE  93           H        ILE  93   8.828   4.722   6.224
  749    HA   ILE  93           HA       ILE  93   6.411   4.362   4.774
  750    HB   ILE  93           HB       ILE  93   9.018   2.870   4.407
  751   1HG1  ILE  93          1HG1      ILE  93   8.092   5.452   3.119
  752   2HG1  ILE  93          2HG1      ILE  93   9.334   5.329   4.362
  753   1HG2  ILE  93          1HG2      ILE  93   7.131   1.859   3.246
  754   2HG2  ILE  93          2HG2      ILE  93   8.246   2.596   2.095
  755   3HG2  ILE  93          3HG2      ILE  93   6.736   3.410   2.504
  756   1HD1  ILE  93          1HD1      ILE  93  10.344   5.578   2.190
  757   2HD1  ILE  93          2HD1      ILE  93   9.463   4.176   1.585
  758   3HD1  ILE  93          3HD1      ILE  93  10.698   3.974   2.828
  759    H    LEU  94           H        LEU  94   8.446   2.237   6.755
  760    HA   LEU  94           HA       LEU  94   6.981  -0.121   6.378
  761   1HB   LEU  94          1HB       LEU  94   8.659   0.760   8.723
  762   2HB   LEU  94          2HB       LEU  94   8.024  -0.861   8.528
  763    HG   LEU  94           HG       LEU  94   9.998   0.496   6.691
  764   1HD1  LEU  94          1HD1      LEU  94  11.567  -1.170   7.530
  765   2HD1  LEU  94          2HD1      LEU  94  10.332  -1.793   8.623
  766   3HD1  LEU  94          3HD1      LEU  94  10.956  -0.157   8.838
  767   1HD2  LEU  94          1HD2      LEU  94   8.857  -2.292   6.610
  768   2HD2  LEU  94          2HD2      LEU  94  10.141  -1.674   5.573
  769   3HD2  LEU  94          3HD2      LEU  94   8.517  -0.999   5.463
  770    H    ALA  95           H        ALA  95   6.598   2.481   8.748
  771    HA   ALA  95           HA       ALA  95   4.619   1.256  10.313
  772   1HB   ALA  95          1HB       ALA  95   4.973   4.201   9.753
  773   2HB   ALA  95          2HB       ALA  95   5.824   3.282  10.996
  774   3HB   ALA  95          3HB       ALA  95   4.076   3.492  11.097
  775    H    GLU  96           H        GLU  96   4.378   3.252   7.395
  776    HA   GLU  96           HA       GLU  96   1.544   3.235   7.269
  777   1HB   GLU  96          1HB       GLU  96   3.699   3.720   5.220
  778   2HB   GLU  96          2HB       GLU  96   1.994   3.753   4.792
  779   1HG   GLU  96          1HG       GLU  96   3.184   5.463   6.955
  780   2HG   GLU  96          2HG       GLU  96   3.042   5.980   5.276
  781    H    LEU  97           H        LEU  97   4.042   1.069   6.066
  782    HA   LEU  97           HA       LEU  97   2.339  -0.554   4.488
  783   1HB   LEU  97          1HB       LEU  97   4.975  -1.199   5.808
  784   2HB   LEU  97          2HB       LEU  97   4.173  -2.227   4.635
  785    HG   LEU  97           HG       LEU  97   5.222   0.556   4.113
  786   1HD1  LEU  97          1HD1      LEU  97   6.994  -1.092   4.379
  787   2HD1  LEU  97          2HD1      LEU  97   6.859  -0.575   2.698
  788   3HD1  LEU  97          3HD1      LEU  97   6.212  -2.140   3.194
  789   1HD2  LEU  97          1HD2      LEU  97   3.969  -1.437   2.228
  790   2HD2  LEU  97          2HD2      LEU  97   4.656   0.126   1.787
  791   3HD2  LEU  97          3HD2      LEU  97   3.217   0.051   2.803
  792    H    GLU  98           H        GLU  98   3.632  -0.993   7.785
  793    HA   GLU  98           HA       GLU  98   2.274  -3.383   8.356
  794   1HB   GLU  98          1HB       GLU  98   3.113  -1.201  10.278
  795   2HB   GLU  98          2HB       GLU  98   2.675  -2.844  10.726
  796   1HG   GLU  98          1HG       GLU  98   4.581  -3.681   9.416
  797   2HG   GLU  98          2HG       GLU  98   5.033  -2.019   9.049
  798    H    LYS  99           H        LYS  99   1.240  -0.080   8.375
  799    HA   LYS  99           HA       LYS  99  -1.169  -0.492   9.866
  800   1HB   LYS  99          1HB       LYS  99   0.125   1.677   9.571
  801   2HB   LYS  99          2HB       LYS  99  -0.542   1.753   7.950
  802   1HG   LYS  99          1HG       LYS  99  -2.763   1.970   8.796
  803   2HG   LYS  99          2HG       LYS  99  -2.219   1.642  10.444
  804   1HD   LYS  99          1HD       LYS  99  -2.551   4.029  10.154
  805   2HD   LYS  99          2HD       LYS  99  -0.831   3.689  10.362
  806   1HE   LYS  99          1HE       LYS  99  -0.666   3.681   7.841
  807   2HE   LYS  99          2HE       LYS  99  -2.299   4.351   7.826
  808   1HZ   LYS  99          1HZ       LYS  99   0.042   5.574   9.183
  809   2HZ   LYS  99          2HZ       LYS  99  -1.518   6.237   9.096
  810   3HZ   LYS  99          3HZ       LYS  99  -0.584   6.061   7.687
  811    H    LEU 100           H        LEU 100  -0.288  -0.295   6.448
  812    HA   LEU 100           HA       LEU 100  -2.864  -0.648   5.351
  813   1HB   LEU 100          1HB       LEU 100  -1.006   0.125   4.000
  814   2HB   LEU 100          2HB       LEU 100  -0.125  -1.361   4.289
  815    HG   LEU 100           HG       LEU 100  -1.914  -2.586   3.031
  816   1HD1  LEU 100          1HD1      LEU 100  -3.710  -0.958   3.296
  817   2HD1  LEU 100          2HD1      LEU 100  -3.402  -1.300   1.593
  818   3HD1  LEU 100          3HD1      LEU 100  -2.815   0.200   2.311
  819   1HD2  LEU 100          1HD2      LEU 100  -1.112  -1.889   0.838
  820   2HD2  LEU 100          2HD2      LEU 100   0.210  -1.966   2.003
  821   3HD2  LEU 100          3HD2      LEU 100  -0.464  -0.406   1.537
  822    H    ASP 101           H        ASP 101  -0.253  -2.976   5.980
  823    HA   ASP 101           HA       ASP 101  -1.613  -5.305   5.264
  824   1HB   ASP 101          1HB       ASP 101   0.539  -4.907   7.357
  825   2HB   ASP 101          2HB       ASP 101   0.005  -6.477   6.772
  826    H    ALA 102           H        ALA 102  -1.665  -3.436   8.222
  827    HA   ALA 102           HA       ALA 102  -3.013  -5.310   9.849
  828   1HB   ALA 102          1HB       ALA 102  -3.014  -2.303  10.066
  829   2HB   ALA 102          2HB       ALA 102  -1.809  -3.385  10.764
  830   3HB   ALA 102          3HB       ALA 102  -3.476  -3.442  11.330
  831    H    LEU 103           H        LEU 103  -4.115  -3.174   7.351
  832    HA   LEU 103           HA       LEU 103  -6.876  -3.260   8.173
  833   1HB   LEU 103          1HB       LEU 103  -5.594  -2.358   5.594
  834   2HB   LEU 103          2HB       LEU 103  -7.302  -2.205   5.962
  835    HG   LEU 103           HG       LEU 103  -5.056  -0.862   7.469
  836   1HD1  LEU 103          1HD1      LEU 103  -7.100   0.253   5.555
  837   2HD1  LEU 103          2HD1      LEU 103  -5.369   0.086   5.255
  838   3HD1  LEU 103          3HD1      LEU 103  -5.948   1.199   6.495
  839   1HD2  LEU 103          1HD2      LEU 103  -8.045  -0.609   7.770
  840   2HD2  LEU 103          2HD2      LEU 103  -6.835   0.347   8.626
  841   3HD2  LEU 103          3HD2      LEU 103  -6.950  -1.391   8.913
  842    H    PHE 104           H        PHE 104  -4.805  -4.917   5.853
  843    HA   PHE 104           HA       PHE 104  -6.895  -6.491   4.713
  844   1HB   PHE 104          1HB       PHE 104  -3.897  -6.812   4.765
  845   2HB   PHE 104          2HB       PHE 104  -4.959  -7.958   3.951
  846    HD1  PHE 104           HD2      PHE 104  -3.641  -4.535   3.922
  847    HD2  PHE 104           HD1      PHE 104  -6.079  -7.383   1.913
  848    HE1  PHE 104           HE2      PHE 104  -3.667  -3.098   1.924
  849    HE2  PHE 104           HE1      PHE 104  -6.113  -5.952  -0.086
  850    HZ   PHE 104           HZ       PHE 104  -4.905  -3.805  -0.083
  851    H    ALA 105           H        ALA 105  -4.793  -6.835   7.479
  852    HA   ALA 105           HA       ALA 105  -5.829  -9.479   8.099
  853   1HB   ALA 105          1HB       ALA 105  -3.963  -7.695   9.663
  854   2HB   ALA 105          2HB       ALA 105  -3.479  -8.981   8.557
  855   3HB   ALA 105          3HB       ALA 105  -4.350  -9.374  10.040
  856    H    ASP 106           H        ASP 106  -7.308  -6.717   8.128
  857    HA   ASP 106           HA       ASP 106  -8.347  -6.812  10.869
  858   1HB   ASP 106          1HB       ASP 106  -7.660  -4.605  10.005
  859   2HB   ASP 106          2HB       ASP 106  -8.820  -4.765   8.691
  860    H    ASP 107           H        ASP 107  -9.717  -6.335   7.607
  861    HA   ASP 107           HA       ASP 107 -12.234  -7.455   8.484
  862   1HB   ASP 107          1HB       ASP 107 -12.162  -5.563   6.870
  863   2HB   ASP 107          2HB       ASP 107 -11.399  -6.630   5.694
  864    H    ALA 108           H        ALA 108 -12.260  -9.569   8.805
  865    HA   ALA 108           HA       ALA 108 -10.629 -11.290   7.094
  866   1HB   ALA 108          1HB       ALA 108 -10.879 -12.972   8.806
  867   2HB   ALA 108          2HB       ALA 108 -12.033 -11.960   9.673
  868   3HB   ALA 108          3HB       ALA 108 -10.349 -11.454   9.533
  869    H    SER 109           H        SER 109 -13.976 -10.911   8.207
  870    HA   SER 109           HA       SER 109 -14.732 -12.884   6.167
  871   1HB   SER 109          1HB       SER 109 -16.633 -13.519   7.706
  872   2HB   SER 109          2HB       SER 109 -15.027 -13.986   8.263
  873    HG   SER 109           HG       SER 109 -15.993 -11.493   9.067
  874    H    LEU 110           H        LEU 110 -15.463 -11.593   4.590
  875    HA   LEU 110           HA       LEU 110 -17.378  -9.497   5.120
  876   1HB   LEU 110          1HB       LEU 110 -15.800  -9.340   3.228
  877   2HB   LEU 110          2HB       LEU 110 -16.512 -10.776   2.518
  878    HG   LEU 110           HG       LEU 110 -18.650  -9.569   2.250
  879   1HD1  LEU 110          1HD1      LEU 110 -17.094  -7.182   3.237
  880   2HD1  LEU 110          2HD1      LEU 110 -18.409  -7.987   4.093
  881   3HD1  LEU 110          3HD1      LEU 110 -18.729  -7.152   2.572
  882   1HD2  LEU 110          1HD2      LEU 110 -17.939  -8.131   0.424
  883   2HD2  LEU 110          2HD2      LEU 110 -17.013  -9.634   0.427
  884   3HD2  LEU 110          3HD2      LEU 110 -16.284  -8.147   1.037
  885    H    GLU 111           H        GLU 111 -19.480  -9.843   5.409
  886    HA   GLU 111           HA       GLU 111 -20.563 -12.448   5.434
  887   1HB   GLU 111          1HB       GLU 111 -21.998  -9.789   5.506
  888   2HB   GLU 111          2HB       GLU 111 -22.702 -11.344   5.932
  889   1HG   GLU 111          1HG       GLU 111 -21.087 -11.558   7.764
  890   2HG   GLU 111          2HG       GLU 111 -20.430  -9.973   7.350
  891    H    HIS 112           H        HIS 112 -21.539 -13.607   3.930
  892    HA   HIS 112           HA       HIS 112 -21.914 -12.441   1.292
  893   1HB   HIS 112          1HB       HIS 112 -22.206 -15.298   2.249
  894   2HB   HIS 112          2HB       HIS 112 -22.369 -14.772   0.576
  895    HD1  HIS 112           HD1      HIS 112 -19.849 -15.431   3.239
  896    HD2  HIS 112           HD2      HIS 112 -19.943 -14.163  -0.723
  897    HE1  HIS 112           HE1      HIS 112 -17.467 -15.539   2.435
  898    HE2  HIS 112           HE2      HIS 112 -17.564 -14.916  -0.002
  899    H    HIS 113           H        HIS 113 -23.699 -11.095   1.722
  900    HA   HIS 113           HA       HIS 113 -26.184 -12.382   2.506
  901   1HB   HIS 113          1HB       HIS 113 -25.666 -10.148   3.401
  902   2HB   HIS 113          2HB       HIS 113 -25.617  -9.503   1.765
  903    HD1  HIS 113           HD1      HIS 113 -28.055 -10.919   4.283
  904    HD2  HIS 113           HD2      HIS 113 -28.043  -8.789   0.714
  905    HE1  HIS 113           HE1      HIS 113 -30.435 -10.188   3.920
  906    HE2  HIS 113           HE2      HIS 113 -30.363  -8.746   1.852
  907    H    HIS 114           H        HIS 114 -27.064 -13.570   0.978
  908    HA   HIS 114           HA       HIS 114 -26.753 -13.058  -1.815
  909   1HB   HIS 114          1HB       HIS 114 -28.531 -14.965  -0.286
  910   2HB   HIS 114          2HB       HIS 114 -28.475 -14.897  -2.044
  911    HD1  HIS 114           HD1      HIS 114 -26.798 -16.384   0.860
  912    HD2  HIS 114           HD2      HIS 114 -25.891 -15.642  -3.136
  913    HE1  HIS 114           HE1      HIS 114 -24.784 -17.802   0.342
  914    HE2  HIS 114           HE2      HIS 114 -24.226 -17.310  -2.067
  915    H    HIS 115           H        HIS 115 -28.846 -13.052  -3.221
  916    HA   HIS 115           HA       HIS 115 -30.240 -10.631  -2.480
  917   1HB   HIS 115          1HB       HIS 115 -29.392 -11.424  -4.851
  918   2HB   HIS 115          2HB       HIS 115 -30.949 -12.243  -4.904
  919    HD1  HIS 115           HD1      HIS 115 -29.616  -9.435  -6.288
  920    HD2  HIS 115           HD2      HIS 115 -32.952  -9.978  -3.861
  921    HE1  HIS 115           HE1      HIS 115 -31.079  -7.427  -6.681
  922    HE2  HIS 115           HE2      HIS 115 -33.158  -7.847  -5.320
  923    H    HIS 116           H        HIS 116 -30.825 -14.040  -2.521
  924    HA   HIS 116           HA       HIS 116 -33.323 -13.634  -1.098
  925   1HB   HIS 116          1HB       HIS 116 -33.971 -13.766  -3.501
  926   2HB   HIS 116          2HB       HIS 116 -33.194 -15.341  -3.599
  927    HD1  HIS 116           HD1      HIS 116 -34.469 -17.352  -2.687
  928    HD2  HIS 116           HD2      HIS 116 -36.412 -13.722  -2.084
  929    HE1  HIS 116           HE1      HIS 116 -36.793 -17.941  -1.918
  930    HE2  HIS 116           HE2      HIS 116 -38.012 -15.736  -1.796
  931    H    HIS 117           H        HIS 117 -33.834 -15.362   0.262
  932    HA   HIS 117           HA       HIS 117 -31.701 -17.309   0.653
  933   1HB   HIS 117          1HB       HIS 117 -34.153 -16.602   2.264
  934   2HB   HIS 117          2HB       HIS 117 -33.123 -17.973   2.658
  935    HD1  HIS 117           HD1      HIS 117 -33.635 -14.647   3.663
  936    HD2  HIS 117           HD2      HIS 117 -30.255 -16.932   2.858
  937    HE1  HIS 117           HE1      HIS 117 -31.740 -13.499   4.852
  938    HE2  HIS 117           HE2      HIS 117 -29.766 -15.040   4.548
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1 -18.022   3.373   3.701
    2   2H    MET   1          2H        MET   1 -18.944   4.740   4.085
    3   3H    MET   1          3H        MET   1 -19.580   3.189   4.352
    4    HA   MET   1           HA       MET   1 -17.232   4.352   5.732
    5   1HB   MET   1          1HB       MET   1 -20.048   3.820   6.708
    6   2HB   MET   1          2HB       MET   1 -18.708   4.318   7.730
    7   1HG   MET   1          1HG       MET   1 -18.538   6.408   6.443
    8   2HG   MET   1          2HG       MET   1 -19.934   5.908   5.489
    9   1HE   MET   1          1HE       MET   1 -18.628   6.996   9.021
   10   2HE   MET   1          2HE       MET   1 -19.304   5.402   9.357
   11   3HE   MET   1          3HE       MET   1 -20.081   6.845  10.009
   12    H    THR   2           H        THR   2 -17.222   1.867   4.313
   13    HA   THR   2           HA       THR   2 -17.465  -0.120   6.469
   14    HB   THR   2           HB       THR   2 -17.350  -1.837   4.771
   15    HG1  THR   2           HG1      THR   2 -17.269   0.057   2.674
   16   1HG2  THR   2          1HG2      THR   2 -19.343  -1.329   3.434
   17   2HG2  THR   2          2HG2      THR   2 -19.199   0.374   3.867
   18   3HG2  THR   2          3HG2      THR   2 -19.552  -0.824   5.112
   19    H    THR   3           H        THR   3 -15.667  -1.964   5.916
   20    HA   THR   3           HA       THR   3 -13.175  -0.984   6.653
   21    HB   THR   3           HB       THR   3 -13.733  -3.536   5.129
   22    HG1  THR   3           HG1      THR   3 -13.816  -4.373   7.375
   23   1HG2  THR   3          1HG2      THR   3 -11.748  -4.378   6.323
   24   2HG2  THR   3          2HG2      THR   3 -11.497  -2.775   7.013
   25   3HG2  THR   3          3HG2      THR   3 -11.360  -3.018   5.270
   26    H    HIS   4           H        HIS   4 -14.641  -1.258   3.496
   27    HA   HIS   4           HA       HIS   4 -12.274  -1.189   1.935
   28   1HB   HIS   4          1HB       HIS   4 -15.109  -0.380   1.291
   29   2HB   HIS   4          2HB       HIS   4 -13.806  -0.357   0.109
   30    HD1  HIS   4           HD1      HIS   4 -16.487  -2.409   1.137
   31    HD2  HIS   4           HD2      HIS   4 -12.545  -3.131   0.035
   32    HE1  HIS   4           HE1      HIS   4 -16.404  -4.832   0.474
   33    HE2  HIS   4           HE2      HIS   4 -14.062  -5.183  -0.395
   34    H    ASP   5           H        ASP   5 -14.268   1.300   3.401
   35    HA   ASP   5           HA       ASP   5 -13.142   3.518   2.054
   36   1HB   ASP   5          1HB       ASP   5 -14.523   3.292   4.736
   37   2HB   ASP   5          2HB       ASP   5 -13.973   4.826   4.070
   38    H    ARG   6           H        ARG   6 -12.386   1.949   5.131
   39    HA   ARG   6           HA       ARG   6 -10.402   3.713   6.001
   40   1HB   ARG   6          1HB       ARG   6 -11.015   0.844   6.586
   41   2HB   ARG   6          2HB       ARG   6  -9.535   1.558   7.208
   42   1HG   ARG   6          1HG       ARG   6 -10.873   3.301   8.320
   43   2HG   ARG   6          2HG       ARG   6 -12.342   2.505   7.749
   44   1HD   ARG   6          1HD       ARG   6 -11.935   0.589   9.064
   45   2HD   ARG   6          2HD       ARG   6 -10.269   1.068   9.385
   46    HE   ARG   6           HE       ARG   6 -11.881   3.071  10.419
   47   1HH1  ARG   6          1HH1      ARG   6 -11.374  -0.359  10.960
   48   2HH1  ARG   6          2HH1      ARG   6 -11.750  -0.271  12.657
   49   1HH2  ARG   6          1HH2      ARG   6 -12.354   3.200  12.625
   50   2HH2  ARG   6          2HH2      ARG   6 -12.317   1.771  13.612
   51    H    VAL   7           H        VAL   7 -10.062   0.680   4.165
   52    HA   VAL   7           HA       VAL   7  -7.240   0.812   4.009
   53    HB   VAL   7           HB       VAL   7  -9.094  -0.627   2.104
   54   1HG1  VAL   7          1HG1      VAL   7  -6.812  -0.485   1.282
   55   2HG1  VAL   7          2HG1      VAL   7  -7.178  -2.137   1.776
   56   3HG1  VAL   7          3HG1      VAL   7  -6.199  -1.101   2.816
   57   1HG2  VAL   7          1HG2      VAL   7  -7.884  -1.600   4.690
   58   2HG2  VAL   7          2HG2      VAL   7  -8.820  -2.575   3.555
   59   3HG2  VAL   7          3HG2      VAL   7  -9.588  -1.240   4.413
   60    H    ARG   8           H        ARG   8  -9.815   2.080   1.974
   61    HA   ARG   8           HA       ARG   8  -8.175   2.763  -0.241
   62   1HB   ARG   8          1HB       ARG   8 -10.716   2.563  -0.194
   63   2HB   ARG   8          2HB       ARG   8 -10.731   4.159   0.544
   64   1HG   ARG   8          1HG       ARG   8  -9.589   5.070  -1.427
   65   2HG   ARG   8          2HG       ARG   8  -9.609   3.467  -2.167
   66   1HD   ARG   8          1HD       ARG   8 -12.080   3.480  -2.014
   67   2HD   ARG   8          2HD       ARG   8 -12.004   5.126  -1.391
   68    HE   ARG   8           HE       ARG   8 -11.036   4.385  -4.081
   69   1HH1  ARG   8          1HH1      ARG   8 -12.711   6.547  -1.912
   70   2HH1  ARG   8          2HH1      ARG   8 -13.192   7.650  -3.163
   71   1HH2  ARG   8          1HH2      ARG   8 -11.625   5.852  -5.737
   72   2HH2  ARG   8          2HH2      ARG   8 -12.550   7.271  -5.340
   73    H    LEU   9           H        LEU   9  -9.275   4.544   2.610
   74    HA   LEU   9           HA       LEU   9  -7.989   6.983   1.962
   75   1HB   LEU   9          1HB       LEU   9  -8.761   5.843   4.651
   76   2HB   LEU   9          2HB       LEU   9  -8.224   7.490   4.386
   77    HG   LEU   9           HG       LEU   9 -10.732   6.263   3.237
   78   1HD1  LEU   9          1HD1      LEU   9 -11.892   7.778   4.770
   79   2HD1  LEU   9          2HD1      LEU   9 -10.341   8.277   5.446
   80   3HD1  LEU   9          3HD1      LEU   9 -10.892   6.614   5.639
   81   1HD2  LEU   9          1HD2      LEU   9 -11.251   8.545   2.523
   82   2HD2  LEU   9          2HD2      LEU   9  -9.771   7.954   1.765
   83   3HD2  LEU   9          3HD2      LEU   9  -9.679   9.087   3.113
   84    H    GLN  10           H        GLN  10  -6.971   4.087   3.673
   85    HA   GLN  10           HA       GLN  10  -4.491   5.053   4.613
   86   1HB   GLN  10          1HB       GLN  10  -5.567   3.002   5.449
   87   2HB   GLN  10          2HB       GLN  10  -5.303   2.231   3.893
   88   1HG   GLN  10          1HG       GLN  10  -3.685   1.523   5.587
   89   2HG   GLN  10          2HG       GLN  10  -2.920   2.307   4.206
   90   1HE2  GLN  10          1HE2      GLN  10  -1.926   4.266   4.468
   91   2HE2  GLN  10          2HE2      GLN  10  -1.556   4.938   6.024
   92    H    LEU  11           H        LEU  11  -5.438   3.431   1.608
   93    HA   LEU  11           HA       LEU  11  -2.892   3.289   0.436
   94   1HB   LEU  11          1HB       LEU  11  -5.617   3.618  -0.811
   95   2HB   LEU  11          2HB       LEU  11  -4.156   3.362  -1.743
   96    HG   LEU  11           HG       LEU  11  -5.308   1.433   0.272
   97   1HD1  LEU  11          1HD1      LEU  11  -5.210   1.350  -2.739
   98   2HD1  LEU  11          2HD1      LEU  11  -6.651   1.595  -1.749
   99   3HD1  LEU  11          3HD1      LEU  11  -5.791   0.056  -1.690
  100   1HD2  LEU  11          1HD2      LEU  11  -2.952   1.150  -1.591
  101   2HD2  LEU  11          2HD2      LEU  11  -3.600  -0.109  -0.539
  102   3HD2  LEU  11          3HD2      LEU  11  -2.863   1.331   0.162
  103    H    GLN  12           H        GLN  12  -5.316   5.855   0.474
  104    HA   GLN  12           HA       GLN  12  -3.847   7.592  -1.242
  105   1HB   GLN  12          1HB       GLN  12  -6.182   8.051   0.611
  106   2HB   GLN  12          2HB       GLN  12  -5.486   9.323  -0.386
  107   1HG   GLN  12          1HG       GLN  12  -5.998   8.057  -2.394
  108   2HG   GLN  12          2HG       GLN  12  -6.639   6.741  -1.416
  109   1HE2  GLN  12          1HE2      GLN  12  -7.874   8.443  -3.482
  110   2HE2  GLN  12          2HE2      GLN  12  -9.282   9.116  -2.733
  111    H    ALA  13           H        ALA  13  -3.807   6.958   2.169
  112    HA   ALA  13           HA       ALA  13  -2.398   9.299   2.950
  113   1HB   ALA  13          1HB       ALA  13  -2.419   6.576   4.252
  114   2HB   ALA  13          2HB       ALA  13  -3.570   7.877   4.566
  115   3HB   ALA  13          3HB       ALA  13  -1.871   8.079   4.994
  116    H    LEU  14           H        LEU  14  -1.346   6.000   2.149
  117    HA   LEU  14           HA       LEU  14   1.433   6.551   2.218
  118   1HB   LEU  14          1HB       LEU  14   0.537   4.276   2.326
  119   2HB   LEU  14          2HB       LEU  14  -0.104   4.434   0.704
  120    HG   LEU  14           HG       LEU  14   2.202   4.622  -0.173
  121   1HD1  LEU  14          1HD1      LEU  14   3.300   5.530   1.798
  122   2HD1  LEU  14          2HD1      LEU  14   4.084   4.036   1.287
  123   3HD1  LEU  14          3HD1      LEU  14   2.998   4.031   2.677
  124   1HD2  LEU  14          1HD2      LEU  14   2.801   2.272   0.158
  125   2HD2  LEU  14          2HD2      LEU  14   1.072   2.466  -0.134
  126   3HD2  LEU  14          3HD2      LEU  14   1.663   2.172   1.501
  127    H    GLU  15           H        GLU  15  -1.036   6.746  -0.241
  128    HA   GLU  15           HA       GLU  15   0.424   7.272  -2.532
  129   1HB   GLU  15          1HB       GLU  15  -2.208   7.191  -1.883
  130   2HB   GLU  15          2HB       GLU  15  -1.993   8.924  -2.055
  131   1HG   GLU  15          1HG       GLU  15  -1.173   8.604  -4.324
  132   2HG   GLU  15          2HG       GLU  15  -1.377   6.861  -4.153
  133    H    ALA  16           H        ALA  16  -0.671   9.490   0.003
  134    HA   ALA  16           HA       ALA  16   0.549  11.803  -1.144
  135   1HB   ALA  16          1HB       ALA  16  -0.417  11.350   1.677
  136   2HB   ALA  16          2HB       ALA  16  -1.396  11.953   0.341
  137   3HB   ALA  16          3HB       ALA  16  -0.040  12.906   0.941
  138    H    LEU  17           H        LEU  17   1.448   9.521   1.416
  139    HA   LEU  17           HA       LEU  17   3.713  10.817   2.387
  140   1HB   LEU  17          1HB       LEU  17   2.662   8.850   3.436
  141   2HB   LEU  17          2HB       LEU  17   3.237   7.846   2.121
  142    HG   LEU  17           HG       LEU  17   5.265   9.355   3.706
  143   1HD1  LEU  17          1HD1      LEU  17   3.818   8.436   5.427
  144   2HD1  LEU  17          2HD1      LEU  17   5.338   7.544   5.363
  145   3HD1  LEU  17          3HD1      LEU  17   3.879   6.852   4.656
  146   1HD2  LEU  17          1HD2      LEU  17   5.193   6.586   2.508
  147   2HD2  LEU  17          2HD2      LEU  17   6.588   7.343   3.279
  148   3HD2  LEU  17          3HD2      LEU  17   5.940   8.006   1.777
  149    H    LEU  18           H        LEU  18   3.437   8.474  -0.271
  150    HA   LEU  18           HA       LEU  18   6.187   8.511  -0.959
  151   1HB   LEU  18          1HB       LEU  18   3.769   7.860  -2.646
  152   2HB   LEU  18          2HB       LEU  18   5.428   7.553  -3.117
  153    HG   LEU  18           HG       LEU  18   4.018   6.291  -0.766
  154   1HD1  LEU  18          1HD1      LEU  18   4.817   5.142  -3.436
  155   2HD1  LEU  18          2HD1      LEU  18   3.172   5.497  -2.912
  156   3HD1  LEU  18          3HD1      LEU  18   4.107   4.246  -2.094
  157   1HD2  LEU  18          1HD2      LEU  18   6.759   5.788  -1.921
  158   2HD2  LEU  18          2HD2      LEU  18   6.002   4.876  -0.615
  159   3HD2  LEU  18          3HD2      LEU  18   6.414   6.575  -0.383
  160    H    ARG  19           H        ARG  19   3.430  10.446  -1.898
  161    HA   ARG  19           HA       ARG  19   4.636  11.773  -4.083
  162   1HB   ARG  19          1HB       ARG  19   2.149  11.610  -3.375
  163   2HB   ARG  19          2HB       ARG  19   2.507  12.990  -2.348
  164   1HG   ARG  19          1HG       ARG  19   2.918  14.391  -4.169
  165   2HG   ARG  19          2HG       ARG  19   3.105  13.033  -5.286
  166   1HD   ARG  19          1HD       ARG  19   0.562  13.967  -3.958
  167   2HD   ARG  19          2HD       ARG  19   0.966  14.060  -5.675
  168    HE   ARG  19           HE       ARG  19   1.146  11.396  -5.005
  169   1HH1  ARG  19          1HH1      ARG  19  -1.371  13.840  -5.043
  170   2HH1  ARG  19          2HH1      ARG  19  -2.657  12.671  -5.197
  171   1HH2  ARG  19          1HH2      ARG  19  -0.538   9.893  -5.215
  172   2HH2  ARG  19          2HH2      ARG  19  -2.185  10.435  -5.276
  173    H    GLU  20           H        GLU  20   4.237  12.686  -0.669
  174    HA   GLU  20           HA       GLU  20   5.569  15.160  -0.821
  175   1HB   GLU  20          1HB       GLU  20   5.231  13.260   1.498
  176   2HB   GLU  20          2HB       GLU  20   5.880  14.885   1.646
  177   1HG   GLU  20          1HG       GLU  20   3.742  15.768   0.765
  178   2HG   GLU  20          2HG       GLU  20   3.106  14.123   0.772
  179    H    HIS  21           H        HIS  21   6.756  11.886  -0.410
  180    HA   HIS  21           HA       HIS  21   9.450  12.911   0.087
  181   1HB   HIS  21          1HB       HIS  21   8.211  10.196   0.465
  182   2HB   HIS  21          2HB       HIS  21   9.957  10.428   0.508
  183    HD1  HIS  21           HD1      HIS  21  10.624  12.534   2.284
  184    HD2  HIS  21           HD2      HIS  21   7.116  10.387   2.935
  185    HE1  HIS  21           HE1      HIS  21  10.041  12.903   4.703
  186    HE2  HIS  21           HE2      HIS  21   7.903  11.617   5.080
  187    H    GLN  22           H        GLN  22   7.965  12.826  -2.538
  188    HA   GLN  22           HA       GLN  22   8.579  12.770  -4.710
  189   1HB   GLN  22          1HB       GLN  22  11.341  12.539  -3.518
  190   2HB   GLN  22          2HB       GLN  22  10.980  13.010  -5.175
  191   1HG   GLN  22          1HG       GLN  22   9.864  14.995  -4.420
  192   2HG   GLN  22          2HG       GLN  22  10.044  14.500  -2.738
  193   1HE2  GLN  22          1HE2      GLN  22  10.932  16.895  -4.108
  194   2HE2  GLN  22          2HE2      GLN  22  12.654  16.977  -3.883
  195    H    HIS  23           H        HIS  23   8.105  10.118  -3.379
  196    HA   HIS  23           HA       HIS  23   9.635   8.445  -5.246
  197   1HB   HIS  23          1HB       HIS  23   8.052   7.837  -2.776
  198   2HB   HIS  23          2HB       HIS  23   8.296   6.576  -3.982
  199    HD1  HIS  23           HD1      HIS  23  10.609   5.532  -4.161
  200    HD2  HIS  23           HD2      HIS  23  10.416   8.692  -1.463
  201    HE1  HIS  23           HE1      HIS  23  12.785   5.481  -2.893
  202    HE2  HIS  23           HE2      HIS  23  12.745   7.580  -1.491
  203    H    TRP  24           H        TRP  24   6.802  10.128  -5.032
  204    HA   TRP  24           HA       TRP  24   5.208   8.315  -6.629
  205   1HB   TRP  24          1HB       TRP  24   4.373   9.986  -4.800
  206   2HB   TRP  24          2HB       TRP  24   4.481  11.171  -6.097
  207    HD1  TRP  24           HD1      TRP  24   2.413  11.370  -7.620
  208    HE1  TRP  24           HE1      TRP  24   0.295   9.958  -8.031
  209    HE3  TRP  24           HE3      TRP  24   3.592   7.292  -4.773
  210    HZ2  TRP  24           HZ2      TRP  24  -0.721   7.441  -7.263
  211    HZ3  TRP  24           HZ3      TRP  24   1.999   5.423  -4.670
  212    HH2  TRP  24           HH2      TRP  24  -0.116   5.497  -5.889
  213    H    ARG  25           H        ARG  25   5.737   8.134  -8.673
  214    HA   ARG  25           HA       ARG  25   6.279  10.588 -10.205
  215   1HB   ARG  25          1HB       ARG  25   7.780   7.973 -10.404
  216   2HB   ARG  25          2HB       ARG  25   7.912   9.272 -11.581
  217   1HG   ARG  25          1HG       ARG  25   8.711  10.761  -9.761
  218   2HG   ARG  25          2HG       ARG  25   8.697   9.369  -8.677
  219   1HD   ARG  25          1HD       ARG  25  10.292   9.564 -11.232
  220   2HD   ARG  25          2HD       ARG  25  10.937   9.851  -9.619
  221    HE   ARG  25           HE       ARG  25   9.777   7.318  -9.600
  222   1HH1  ARG  25          1HH1      ARG  25  12.424   8.962 -11.199
  223   2HH1  ARG  25          2HH1      ARG  25  13.385   7.523 -11.365
  224   1HH2  ARG  25          1HH2      ARG  25  11.025   5.423  -9.845
  225   2HH2  ARG  25          2HH2      ARG  25  12.578   5.514 -10.611
  226    H    ASN  26           H        ASN  26   5.225   7.217 -10.266
  227    HA   ASN  26           HA       ASN  26   4.144   5.962 -11.826
  228   1HB   ASN  26          1HB       ASN  26   2.655   8.578 -12.127
  229   2HB   ASN  26          2HB       ASN  26   2.114   7.050 -12.812
  230   1HD2  ASN  26          1HD2      ASN  26   0.929   8.850 -10.810
  231   2HD2  ASN  26          2HD2      ASN  26   0.621   7.855  -9.425
  232    H    ASP  27           H        ASP  27   6.112   5.870 -13.081
  233    HA   ASP  27           HA       ASP  27   6.589   7.823 -15.134
  234   1HB   ASP  27          1HB       ASP  27   8.355   6.553 -13.779
  235   2HB   ASP  27          2HB       ASP  27   8.000   5.174 -14.812
  236    H    GLU  28           H        GLU  28   7.436   6.505 -17.310
  237    HA   GLU  28           HA       GLU  28   4.962   5.837 -18.586
  238   1HB   GLU  28          1HB       GLU  28   6.875   7.109 -19.638
  239   2HB   GLU  28          2HB       GLU  28   7.767   5.596 -19.695
  240   1HG   GLU  28          1HG       GLU  28   6.753   6.118 -21.841
  241   2HG   GLU  28          2HG       GLU  28   6.082   4.637 -21.159
  242    HA   PRO  29           HA       PRO  29   5.361   1.543 -17.375
  243   1HB   PRO  29          1HB       PRO  29   3.026   0.706 -18.485
  244   2HB   PRO  29          2HB       PRO  29   3.107   1.572 -16.946
  245   1HG   PRO  29          1HG       PRO  29   2.472   2.615 -19.678
  246   2HG   PRO  29          2HG       PRO  29   1.684   2.977 -18.131
  247   1HD   PRO  29          1HD       PRO  29   3.480   4.643 -19.269
  248   2HD   PRO  29          2HD       PRO  29   3.318   4.478 -17.508
  249    H    GLN  30           H        GLN  30   6.730   0.277 -18.415
  250    HA   GLN  30           HA       GLN  30   6.372  -0.169 -21.304
  251   1HB   GLN  30          1HB       GLN  30   8.752  -0.744 -19.522
  252   2HB   GLN  30          2HB       GLN  30   8.671  -1.084 -21.245
  253   1HG   GLN  30          1HG       GLN  30   8.474   1.281 -21.729
  254   2HG   GLN  30          2HG       GLN  30   8.476   1.652 -20.004
  255   1HE2  GLN  30          1HE2      GLN  30  10.394   1.470 -18.841
  256   2HE2  GLN  30          2HE2      GLN  30  11.932   1.374 -19.620
  257    HA   PRO  31           HA       PRO  31   4.432  -4.047 -20.381
  258   1HB   PRO  31          1HB       PRO  31   5.723  -4.810 -22.963
  259   2HB   PRO  31          2HB       PRO  31   4.044  -5.005 -22.442
  260   1HG   PRO  31          1HG       PRO  31   4.689  -3.081 -24.143
  261   2HG   PRO  31          2HG       PRO  31   3.523  -2.771 -22.841
  262   1HD   PRO  31          1HD       PRO  31   6.390  -1.950 -23.057
  263   2HD   PRO  31          2HD       PRO  31   5.009  -1.067 -22.374
  264    H    HIS  32           H        HIS  32   7.795  -3.959 -21.513
  265    HA   HIS  32           HA       HIS  32   8.522  -6.571 -20.815
  266   1HB   HIS  32          1HB       HIS  32   9.882  -4.988 -22.198
  267   2HB   HIS  32          2HB       HIS  32  10.308  -4.131 -20.722
  268    HD1  HIS  32           HD1      HIS  32  11.291  -6.947 -22.830
  269    HD2  HIS  32           HD2      HIS  32  11.920  -5.731 -18.900
  270    HE1  HIS  32           HE1      HIS  32  13.249  -8.298 -22.000
  271    HE2  HIS  32           HE2      HIS  32  13.478  -7.687 -19.563
  272    H    GLN  33           H        GLN  33   8.284  -3.656 -18.883
  273    HA   GLN  33           HA       GLN  33   9.681  -4.533 -16.602
  274   1HB   GLN  33          1HB       GLN  33   7.419  -2.543 -16.871
  275   2HB   GLN  33          2HB       GLN  33   8.389  -2.753 -15.421
  276   1HG   GLN  33          1HG       GLN  33  10.344  -1.968 -16.510
  277   2HG   GLN  33          2HG       GLN  33   9.563  -2.020 -18.090
  278   1HE2  GLN  33          1HE2      GLN  33  10.859   0.200 -16.676
  279   2HE2  GLN  33          2HE2      GLN  33   9.668   1.455 -16.568
  280    H    PHE  34           H        PHE  34   6.483  -5.187 -17.776
  281    HA   PHE  34           HA       PHE  34   5.637  -6.265 -15.193
  282   1HB   PHE  34          1HB       PHE  34   4.058  -5.891 -17.745
  283   2HB   PHE  34          2HB       PHE  34   3.404  -6.396 -16.192
  284    HD1  PHE  34           HD2      PHE  34   3.629  -4.772 -14.232
  285    HD2  PHE  34           HD1      PHE  34   4.204  -3.639 -18.295
  286    HE1  PHE  34           HE2      PHE  34   3.277  -2.416 -13.621
  287    HE2  PHE  34           HE1      PHE  34   3.857  -1.280 -17.688
  288    HZ   PHE  34           HZ       PHE  34   3.393  -0.665 -15.350
  289    H    ASN  35           H        ASN  35   6.842  -7.296 -18.228
  290    HA   ASN  35           HA       ASN  35   5.558  -9.871 -18.231
  291   1HB   ASN  35          1HB       ASN  35   7.520  -8.484 -19.974
  292   2HB   ASN  35          2HB       ASN  35   7.528 -10.246 -20.002
  293   1HD2  ASN  35          1HD2      ASN  35   5.683  -7.379 -20.694
  294   2HD2  ASN  35          2HD2      ASN  35   4.468  -8.158 -21.652
  295    H    SER  36           H        SER  36   7.988  -8.680 -16.343
  296    HA   SER  36           HA       SER  36   9.585 -10.978 -16.011
  297   1HB   SER  36          1HB       SER  36   9.792 -10.087 -13.611
  298   2HB   SER  36          2HB       SER  36  10.318  -9.010 -14.906
  299    HG   SER  36           HG       SER  36   9.028  -7.701 -13.831
  300    H    THR  37           H        THR  37   6.393 -10.053 -14.994
  301    HA   THR  37           HA       THR  37   4.593 -11.254 -14.354
  302    HB   THR  37           HB       THR  37   6.204 -13.728 -15.001
  303    HG1  THR  37           HG1      THR  37   6.268 -12.183 -16.725
  304   1HG2  THR  37          1HG2      THR  37   4.021 -14.125 -13.919
  305   2HG2  THR  37          2HG2      THR  37   4.025 -14.675 -15.595
  306   3HG2  THR  37          3HG2      THR  37   3.240 -13.156 -15.168
  307    H    GLN  38           H        GLN  38   6.884 -10.652 -12.511
  308    HA   GLN  38           HA       GLN  38   6.367 -12.641 -10.421
  309   1HB   GLN  38          1HB       GLN  38   8.369 -10.381 -10.572
  310   2HB   GLN  38          2HB       GLN  38   8.137 -11.394  -9.155
  311   1HG   GLN  38          1HG       GLN  38   8.690 -13.368 -10.595
  312   2HG   GLN  38          2HG       GLN  38   9.147 -12.225 -11.859
  313   1HE2  GLN  38          1HE2      GLN  38  11.291 -12.897 -11.831
  314   2HE2  GLN  38          2HE2      GLN  38  12.364 -12.485 -10.533
  315    HA   PRO  39           HA       PRO  39   3.362 -10.194  -8.405
  316   1HB   PRO  39          1HB       PRO  39   4.028 -10.553  -5.760
  317   2HB   PRO  39          2HB       PRO  39   3.136 -11.723  -6.737
  318   1HG   PRO  39          1HG       PRO  39   6.043 -11.658  -6.039
  319   2HG   PRO  39          2HG       PRO  39   4.934 -13.042  -6.110
  320   1HD   PRO  39          1HD       PRO  39   6.686 -12.540  -8.080
  321   2HD   PRO  39          2HD       PRO  39   5.069 -13.195  -8.416
  322    H    PHE  40           H        PHE  40   6.712  -9.573  -7.719
  323    HA   PHE  40           HA       PHE  40   6.003  -6.819  -6.951
  324   1HB   PHE  40          1HB       PHE  40   8.332  -8.489  -5.982
  325   2HB   PHE  40          2HB       PHE  40   8.134  -6.772  -5.650
  326    HD1  PHE  40           HD2      PHE  40   6.402  -5.993  -4.127
  327    HD2  PHE  40           HD1      PHE  40   7.007 -10.144  -4.841
  328    HE1  PHE  40           HE2      PHE  40   5.068  -6.530  -2.130
  329    HE2  PHE  40           HE1      PHE  40   5.675 -10.685  -2.846
  330    HZ   PHE  40           HZ       PHE  40   4.703  -8.879  -1.488
  331    H    PHE  41           H        PHE  41   7.066  -8.528  -9.445
  332    HA   PHE  41           HA       PHE  41   8.519  -8.292 -11.198
  333   1HB   PHE  41          1HB       PHE  41   8.042  -5.355 -10.624
  334   2HB   PHE  41          2HB       PHE  41   8.568  -6.046 -12.158
  335    HD1  PHE  41           HD2      PHE  41   6.914  -8.009 -13.003
  336    HD2  PHE  41           HD1      PHE  41   5.843  -4.759 -10.476
  337    HE1  PHE  41           HE2      PHE  41   4.565  -8.256 -13.688
  338    HE2  PHE  41           HE1      PHE  41   3.489  -5.004 -11.151
  339    HZ   PHE  41           HZ       PHE  41   2.848  -6.754 -12.761
  340    H    MET  42           H        MET  42  10.069  -9.004  -9.259
  341    HA   MET  42           HA       MET  42  11.671  -7.014  -8.030
  342   1HB   MET  42          1HB       MET  42  12.289  -9.963  -8.146
  343   2HB   MET  42          2HB       MET  42  12.793  -8.806  -6.923
  344   1HG   MET  42          1HG       MET  42  10.478  -8.558  -6.199
  345   2HG   MET  42          2HG       MET  42   9.968  -9.715  -7.427
  346   1HE   MET  42          1HE       MET  42   9.444 -11.991  -4.372
  347   2HE   MET  42          2HE       MET  42   8.823 -11.469  -5.937
  348   3HE   MET  42          3HE       MET  42   8.973 -10.310  -4.615
  349    H    ASP  43           H        ASP  43  12.128  -8.966 -10.914
  350    HA   ASP  43           HA       ASP  43  14.970  -8.362 -10.957
  351   1HB   ASP  43          1HB       ASP  43  15.137  -9.821 -12.850
  352   2HB   ASP  43          2HB       ASP  43  14.113 -10.606 -11.653
  353    H    THR  44           H        THR  44  12.031  -7.332 -12.568
  354    HA   THR  44           HA       THR  44  13.446  -5.894 -14.614
  355    HB   THR  44           HB       THR  44  11.064  -4.905 -14.992
  356    HG1  THR  44           HG1      THR  44   9.455  -5.823 -13.910
  357   1HG2  THR  44          1HG2      THR  44  11.672  -7.834 -15.397
  358   2HG2  THR  44          2HG2      THR  44  12.114  -6.514 -16.480
  359   3HG2  THR  44          3HG2      THR  44  10.417  -6.927 -16.239
  360    H    MET  45           H        MET  45  11.660  -5.051 -11.678
  361    HA   MET  45           HA       MET  45  13.101  -2.492 -11.623
  362   1HB   MET  45          1HB       MET  45  10.138  -2.838 -11.091
  363   2HB   MET  45          2HB       MET  45  11.044  -1.359 -10.814
  364   1HG   MET  45          1HG       MET  45  10.578  -2.687 -13.475
  365   2HG   MET  45          2HG       MET  45   9.770  -1.242 -12.873
  366   1HE   MET  45          1HE       MET  45  10.980   1.098 -12.528
  367   2HE   MET  45          2HE       MET  45  12.712   1.343 -12.767
  368   3HE   MET  45          3HE       MET  45  12.140   0.310 -11.457
  369    H    GLU  46           H        GLU  46  12.214  -1.491  -9.260
  370    HA   GLU  46           HA       GLU  46  12.667  -3.698  -7.363
  371   1HB   GLU  46          1HB       GLU  46  13.468  -2.034  -5.769
  372   2HB   GLU  46          2HB       GLU  46  14.392  -1.943  -7.259
  373   1HG   GLU  46          1HG       GLU  46  12.084  -0.114  -6.693
  374   2HG   GLU  46          2HG       GLU  46  13.723   0.239  -6.153
  375    HA   PRO  47           HA       PRO  47   8.631  -3.380  -5.606
  376   1HB   PRO  47          1HB       PRO  47   9.274  -2.961  -2.913
  377   2HB   PRO  47          2HB       PRO  47   9.077  -4.526  -3.705
  378   1HG   PRO  47          1HG       PRO  47  11.565  -3.008  -3.090
  379   2HG   PRO  47          2HG       PRO  47  11.277  -4.757  -3.067
  380   1HD   PRO  47          1HD       PRO  47  12.633  -3.597  -5.060
  381   2HD   PRO  47          2HD       PRO  47  11.528  -4.954  -5.366
  382    H    LEU  48           H        LEU  48  10.969  -0.883  -4.882
  383    HA   LEU  48           HA       LEU  48   9.197   1.001  -3.740
  384   1HB   LEU  48          1HB       LEU  48  11.794   1.399  -5.226
  385   2HB   LEU  48          2HB       LEU  48  10.948   2.666  -4.359
  386    HG   LEU  48           HG       LEU  48  12.116   0.167  -3.124
  387   1HD1  LEU  48          1HD1      LEU  48  13.822   1.751  -3.844
  388   2HD1  LEU  48          2HD1      LEU  48  13.702   1.714  -2.084
  389   3HD1  LEU  48          3HD1      LEU  48  12.992   3.051  -2.988
  390   1HD2  LEU  48          1HD2      LEU  48  11.547   1.209  -0.988
  391   2HD2  LEU  48          2HD2      LEU  48  10.102   0.922  -1.958
  392   3HD2  LEU  48          3HD2      LEU  48  10.776   2.547  -1.840
  393    H    GLU  49           H        GLU  49   9.812   0.024  -7.001
  394    HA   GLU  49           HA       GLU  49   8.413   2.313  -8.129
  395   1HB   GLU  49          1HB       GLU  49  10.396   1.177  -9.240
  396   2HB   GLU  49          2HB       GLU  49   9.333  -0.184  -9.559
  397   1HG   GLU  49          1HG       GLU  49   9.442   1.151 -11.524
  398   2HG   GLU  49          2HG       GLU  49   7.840   1.356 -10.817
  399    H    TRP  50           H        TRP  50   7.954  -1.096  -7.481
  400    HA   TRP  50           HA       TRP  50   5.479  -1.443  -8.801
  401   1HB   TRP  50          1HB       TRP  50   6.840  -3.352  -8.250
  402   2HB   TRP  50          2HB       TRP  50   6.809  -2.945  -6.539
  403    HD1  TRP  50           HD1      TRP  50   4.521  -4.328  -9.311
  404    HE1  TRP  50           HE1      TRP  50   2.636  -5.679  -8.194
  405    HE3  TRP  50           HE3      TRP  50   5.544  -3.265  -4.416
  406    HZ2  TRP  50           HZ2      TRP  50   1.704  -6.220  -5.587
  407    HZ3  TRP  50           HZ3      TRP  50   4.106  -4.239  -2.673
  408    HH2  TRP  50           HH2      TRP  50   2.226  -5.685  -3.248
  409    H    LEU  51           H        LEU  51   6.371  -0.225  -5.678
  410    HA   LEU  51           HA       LEU  51   4.018  -0.476  -4.238
  411   1HB   LEU  51          1HB       LEU  51   6.214   0.314  -3.383
  412   2HB   LEU  51          2HB       LEU  51   5.950   1.844  -4.193
  413    HG   LEU  51           HG       LEU  51   4.042   2.317  -2.745
  414   1HD1  LEU  51          1HD1      LEU  51   4.699  -0.314  -1.424
  415   2HD1  LEU  51          2HD1      LEU  51   3.268   0.023  -2.399
  416   3HD1  LEU  51          3HD1      LEU  51   3.507   0.859  -0.865
  417   1HD2  LEU  51          1HD2      LEU  51   5.262   2.560  -0.632
  418   2HD2  LEU  51          2HD2      LEU  51   6.252   3.024  -2.014
  419   3HD2  LEU  51          3HD2      LEU  51   6.508   1.465  -1.230
  420    H    GLN  52           H        GLN  52   4.948   1.933  -6.636
  421    HA   GLN  52           HA       GLN  52   2.239   3.061  -6.498
  422   1HB   GLN  52          1HB       GLN  52   3.166   4.911  -7.897
  423   2HB   GLN  52          2HB       GLN  52   3.895   4.783  -6.304
  424   1HG   GLN  52          1HG       GLN  52   5.902   3.994  -7.143
  425   2HG   GLN  52          2HG       GLN  52   5.180   3.482  -8.667
  426   1HE2  GLN  52          1HE2      GLN  52   6.798   4.607  -9.784
  427   2HE2  GLN  52          2HE2      GLN  52   6.746   6.332  -9.935
  428    H    TRP  53           H        TRP  53   1.533   3.867  -8.763
  429    HA   TRP  53           HA       TRP  53   0.701   3.369 -10.792
  430   1HB   TRP  53          1HB       TRP  53   3.112   3.320 -11.457
  431   2HB   TRP  53          2HB       TRP  53   3.095   1.575 -11.205
  432    HD1  TRP  53           HD1      TRP  53   2.269   0.113 -13.187
  433    HE1  TRP  53           HE1      TRP  53   1.232   0.601 -15.495
  434    HE3  TRP  53           HE3      TRP  53   1.485   5.140 -12.677
  435    HZ2  TRP  53           HZ2      TRP  53   0.218   2.825 -16.904
  436    HZ3  TRP  53           HZ3      TRP  53   0.477   6.373 -14.551
  437    HH2  TRP  53           HH2      TRP  53  -0.143   5.238 -16.621
  438    H    VAL  54           H        VAL  54   2.035   0.364  -9.368
  439    HA   VAL  54           HA       VAL  54  -0.323  -1.032 -10.388
  440    HB   VAL  54           HB       VAL  54   2.077  -2.247  -9.025
  441   1HG1  VAL  54          1HG1      VAL  54  -0.202  -3.465 -10.588
  442   2HG1  VAL  54          2HG1      VAL  54   0.076  -3.610  -8.853
  443   3HG1  VAL  54          3HG1      VAL  54   1.208  -4.345  -9.992
  444   1HG2  VAL  54          1HG2      VAL  54   1.438  -2.023 -11.966
  445   2HG2  VAL  54          2HG2      VAL  54   2.779  -2.936 -11.273
  446   3HG2  VAL  54          3HG2      VAL  54   2.732  -1.180 -11.117
  447    H    LEU  55           H        LEU  55   1.510  -1.284  -7.301
  448    HA   LEU  55           HA       LEU  55  -0.424  -2.757  -6.016
  449   1HB   LEU  55          1HB       LEU  55   1.787  -2.545  -5.094
  450   2HB   LEU  55          2HB       LEU  55   1.540  -0.834  -4.785
  451    HG   LEU  55           HG       LEU  55  -0.239  -1.407  -3.158
  452   1HD1  LEU  55          1HD1      LEU  55   0.648  -4.250  -3.624
  453   2HD1  LEU  55          2HD1      LEU  55  -0.903  -3.559  -4.102
  454   3HD1  LEU  55          3HD1      LEU  55  -0.490  -3.701  -2.394
  455   1HD2  LEU  55          1HD2      LEU  55   2.054  -1.022  -2.410
  456   2HD2  LEU  55          2HD2      LEU  55   2.404  -2.739  -2.607
  457   3HD2  LEU  55          3HD2      LEU  55   1.227  -2.209  -1.404
  458    H    ILE  56           H        ILE  56   0.090   0.695  -5.223
  459    HA   ILE  56           HA       ILE  56  -2.211   0.892  -3.677
  460    HB   ILE  56           HB       ILE  56  -0.779   3.115  -5.134
  461   1HG1  ILE  56          1HG1      ILE  56  -0.593   2.144  -2.277
  462   2HG1  ILE  56          2HG1      ILE  56   0.611   1.864  -3.531
  463   1HG2  ILE  56          1HG2      ILE  56  -3.046   3.784  -4.552
  464   2HG2  ILE  56          2HG2      ILE  56  -1.859   4.625  -3.555
  465   3HG2  ILE  56          3HG2      ILE  56  -2.773   3.273  -2.885
  466   1HD1  ILE  56          1HD1      ILE  56   1.274   3.663  -2.036
  467   2HD1  ILE  56          2HD1      ILE  56  -0.195   4.551  -2.439
  468   3HD1  ILE  56          3HD1      ILE  56   1.026   4.258  -3.678
  469    HA   PRO  57           HA       PRO  57  -4.591   2.815  -7.472
  470   1HB   PRO  57          1HB       PRO  57  -3.101   1.613  -9.739
  471   2HB   PRO  57          2HB       PRO  57  -3.807   3.224  -9.583
  472   1HG   PRO  57          1HG       PRO  57  -1.184   2.914  -9.433
  473   2HG   PRO  57          2HG       PRO  57  -2.018   4.031  -8.331
  474   1HD   PRO  57          1HD       PRO  57  -1.038   1.238  -7.810
  475   2HD   PRO  57          2HD       PRO  57  -0.876   2.691  -6.806
  476    H    ARG  58           H        ARG  58  -3.089  -0.391  -7.950
  477    HA   ARG  58           HA       ARG  58  -5.416  -1.508  -9.164
  478   1HB   ARG  58          1HB       ARG  58  -3.119  -2.402  -9.500
  479   2HB   ARG  58          2HB       ARG  58  -3.140  -2.981  -7.840
  480   1HG   ARG  58          1HG       ARG  58  -4.878  -4.520  -8.305
  481   2HG   ARG  58          2HG       ARG  58  -5.166  -3.814  -9.896
  482   1HD   ARG  58          1HD       ARG  58  -2.931  -4.531 -10.606
  483   2HD   ARG  58          2HD       ARG  58  -2.662  -5.248  -9.017
  484    HE   ARG  58           HE       ARG  58  -4.726  -6.645  -9.621
  485   1HH1  ARG  58          1HH1      ARG  58  -2.458  -5.445 -12.026
  486   2HH1  ARG  58          2HH1      ARG  58  -2.676  -6.818 -13.082
  487   1HH2  ARG  58          1HH2      ARG  58  -5.004  -8.422 -11.007
  488   2HH2  ARG  58          2HH2      ARG  58  -4.137  -8.492 -12.510
  489    H    MET  59           H        MET  59  -4.192  -1.310  -5.876
  490    HA   MET  59           HA       MET  59  -6.209  -2.983  -4.733
  491   1HB   MET  59          1HB       MET  59  -4.262  -0.990  -3.604
  492   2HB   MET  59          2HB       MET  59  -5.524  -1.682  -2.591
  493   1HG   MET  59          1HG       MET  59  -3.422  -3.223  -4.097
  494   2HG   MET  59          2HG       MET  59  -3.426  -2.893  -2.364
  495   1HE   MET  59          1HE       MET  59  -4.181  -6.726  -2.454
  496   2HE   MET  59          2HE       MET  59  -3.174  -5.455  -1.757
  497   3HE   MET  59          3HE       MET  59  -3.076  -5.814  -3.481
  498    H    HIS  60           H        HIS  60  -6.000   0.394  -5.589
  499    HA   HIS  60           HA       HIS  60  -8.284   1.370  -4.310
  500   1HB   HIS  60          1HB       HIS  60  -6.839   2.090  -6.821
  501   2HB   HIS  60          2HB       HIS  60  -8.458   2.736  -6.602
  502    HD1  HIS  60           HD1      HIS  60  -8.737   4.673  -5.013
  503    HD2  HIS  60           HD2      HIS  60  -4.905   3.069  -4.955
  504    HE1  HIS  60           HE1      HIS  60  -7.344   6.296  -3.688
  505    HE2  HIS  60           HE2      HIS  60  -4.983   5.463  -3.955
  506    H    ASP  61           H        ASP  61  -7.908  -0.503  -7.277
  507    HA   ASP  61           HA       ASP  61 -10.598  -0.464  -8.111
  508   1HB   ASP  61          1HB       ASP  61  -8.497  -2.602  -8.545
  509   2HB   ASP  61          2HB       ASP  61 -10.038  -2.519  -9.389
  510    H    LEU  62           H        LEU  62  -8.786  -2.925  -6.294
  511    HA   LEU  62           HA       LEU  62 -10.753  -4.789  -5.852
  512   1HB   LEU  62          1HB       LEU  62  -8.455  -5.161  -5.218
  513   2HB   LEU  62          2HB       LEU  62  -8.531  -3.884  -4.020
  514    HG   LEU  62           HG       LEU  62 -10.252  -5.284  -2.804
  515   1HD1  LEU  62          1HD1      LEU  62  -9.277  -7.381  -4.735
  516   2HD1  LEU  62          2HD1      LEU  62 -10.918  -6.746  -4.615
  517   3HD1  LEU  62          3HD1      LEU  62 -10.239  -7.696  -3.293
  518   1HD2  LEU  62          1HD2      LEU  62  -7.486  -6.431  -3.141
  519   2HD2  LEU  62          2HD2      LEU  62  -8.576  -6.745  -1.790
  520   3HD2  LEU  62          3HD2      LEU  62  -7.943  -5.119  -2.055
  521    H    LEU  63           H        LEU  63 -10.078  -1.895  -3.943
  522    HA   LEU  63           HA       LEU  63 -12.037  -2.407  -1.952
  523   1HB   LEU  63          1HB       LEU  63 -10.651   0.144  -2.760
  524   2HB   LEU  63          2HB       LEU  63 -11.646  -0.038  -1.325
  525    HG   LEU  63           HG       LEU  63  -9.209  -1.728  -1.814
  526   1HD1  LEU  63          1HD1      LEU  63  -8.528   0.603  -1.810
  527   2HD1  LEU  63          2HD1      LEU  63  -8.006  -0.211  -0.336
  528   3HD1  LEU  63          3HD1      LEU  63  -9.403   0.866  -0.301
  529   1HD2  LEU  63          1HD2      LEU  63 -10.819  -2.579  -0.192
  530   2HD2  LEU  63          2HD2      LEU  63 -10.763  -1.045   0.677
  531   3HD2  LEU  63          3HD2      LEU  63  -9.329  -2.068   0.598
  532    H    ASP  64           H        ASP  64 -11.993  -0.274  -4.797
  533    HA   ASP  64           HA       ASP  64 -14.556   0.848  -4.203
  534   1HB   ASP  64          1HB       ASP  64 -12.791   2.061  -5.471
  535   2HB   ASP  64          2HB       ASP  64 -13.023   0.940  -6.809
  536    H    ASN  65           H        ASN  65 -13.422  -1.862  -6.066
  537    HA   ASN  65           HA       ASN  65 -15.895  -2.319  -7.454
  538   1HB   ASN  65          1HB       ASN  65 -13.457  -4.034  -6.984
  539   2HB   ASN  65          2HB       ASN  65 -14.883  -4.650  -7.809
  540   1HD2  ASN  65          1HD2      ASN  65 -13.829  -1.346  -8.127
  541   2HD2  ASN  65          2HD2      ASN  65 -13.284  -1.461  -9.767
  542    H    LYS  66           H        LYS  66 -15.020  -2.544  -4.292
  543    HA   LYS  66           HA       LYS  66 -16.145  -3.203  -2.441
  544   1HB   LYS  66          1HB       LYS  66 -18.352  -4.125  -4.280
  545   2HB   LYS  66          2HB       LYS  66 -18.487  -3.706  -2.579
  546   1HG   LYS  66          1HG       LYS  66 -17.907  -1.373  -3.141
  547   2HG   LYS  66          2HG       LYS  66 -17.879  -1.821  -4.847
  548   1HD   LYS  66          1HD       LYS  66 -20.266  -2.635  -4.509
  549   2HD   LYS  66          2HD       LYS  66 -20.221  -1.782  -2.965
  550   1HE   LYS  66          1HE       LYS  66 -19.911  -0.614  -5.722
  551   2HE   LYS  66          2HE       LYS  66 -21.213  -0.326  -4.572
  552   1HZ   LYS  66          1HZ       LYS  66 -18.400   0.585  -4.385
  553   2HZ   LYS  66          2HZ       LYS  66 -19.475   0.652  -3.078
  554   3HZ   LYS  66          3HZ       LYS  66 -19.796   1.541  -4.486
  555    H    GLN  67           H        GLN  67 -14.419  -5.064  -3.959
  556    HA   GLN  67           HA       GLN  67 -15.613  -7.668  -3.508
  557   1HB   GLN  67          1HB       GLN  67 -12.836  -6.913  -4.437
  558   2HB   GLN  67          2HB       GLN  67 -13.478  -8.548  -4.383
  559   1HG   GLN  67          1HG       GLN  67 -14.433  -6.284  -6.112
  560   2HG   GLN  67          2HG       GLN  67 -13.579  -7.735  -6.630
  561   1HE2  GLN  67          1HE2      GLN  67 -16.157  -6.696  -7.475
  562   2HE2  GLN  67          2HE2      GLN  67 -17.315  -7.945  -7.161
  563    HA   PRO  68           HA       PRO  68 -14.052  -8.496   0.547
  564   1HB   PRO  68          1HB       PRO  68 -12.990 -11.060  -0.512
  565   2HB   PRO  68          2HB       PRO  68 -14.110 -10.771   0.824
  566   1HG   PRO  68          1HG       PRO  68 -14.985 -11.738  -1.496
  567   2HG   PRO  68          2HG       PRO  68 -15.941 -10.556  -0.583
  568   1HD   PRO  68          1HD       PRO  68 -14.238 -10.151  -3.010
  569   2HD   PRO  68          2HD       PRO  68 -15.813  -9.437  -2.606
  570    H    LEU  69           H        LEU  69 -12.129  -8.594   1.756
  571    HA   LEU  69           HA       LEU  69  -9.778  -7.835   0.178
  572   1HB   LEU  69          1HB       LEU  69 -10.364  -7.429   3.114
  573   2HB   LEU  69          2HB       LEU  69  -8.947  -6.842   2.265
  574    HG   LEU  69           HG       LEU  69 -11.790  -5.967   1.759
  575   1HD1  LEU  69          1HD1      LEU  69 -11.041  -3.824   2.669
  576   2HD1  LEU  69          2HD1      LEU  69  -9.469  -4.535   3.038
  577   3HD1  LEU  69          3HD1      LEU  69 -10.916  -5.120   3.859
  578   1HD2  LEU  69          1HD2      LEU  69 -10.475  -5.944  -0.285
  579   2HD2  LEU  69          2HD2      LEU  69  -9.200  -5.037   0.528
  580   3HD2  LEU  69          3HD2      LEU  69 -10.782  -4.300   0.274
  581    HA   PRO  70           HA       PRO  70  -7.831 -11.641   1.357
  582   1HB   PRO  70          1HB       PRO  70  -5.309 -11.044   0.595
  583   2HB   PRO  70          2HB       PRO  70  -6.594 -11.372  -0.573
  584   1HG   PRO  70          1HG       PRO  70  -5.483  -8.747   0.330
  585   2HG   PRO  70          2HG       PRO  70  -5.936  -9.274  -1.302
  586   1HD   PRO  70          1HD       PRO  70  -7.527  -7.709   0.276
  587   2HD   PRO  70          2HD       PRO  70  -8.154  -8.799  -0.974
  588    H    GLY  71           H        GLY  71  -7.838 -11.841   3.546
  589   1HA   GLY  71          1HA       GLY  71  -6.787  -9.924   5.333
  590   2HA   GLY  71          2HA       GLY  71  -7.262 -11.561   5.750
  591    H    ALA  72           H        ALA  72  -5.317 -12.657   3.777
  592    HA   ALA  72           HA       ALA  72  -3.070 -12.662   5.613
  593   1HB   ALA  72          1HB       ALA  72  -3.565 -14.362   3.170
  594   2HB   ALA  72          2HB       ALA  72  -3.983 -14.801   4.827
  595   3HB   ALA  72          3HB       ALA  72  -2.292 -14.605   4.366
  596    H    PHE  73           H        PHE  73  -3.705 -10.445   3.654
  597    HA   PHE  73           HA       PHE  73  -1.295 -10.483   2.004
  598   1HB   PHE  73          1HB       PHE  73  -3.455  -9.756   1.000
  599   2HB   PHE  73          2HB       PHE  73  -3.495  -8.409   2.131
  600    HD1  PHE  73           HD1      PHE  73  -1.650  -9.870  -0.708
  601    HD2  PHE  73           HD2      PHE  73  -2.276  -6.432   1.718
  602    HE1  PHE  73           HE1      PHE  73  -0.341  -8.520  -2.293
  603    HE2  PHE  73           HE2      PHE  73  -0.969  -5.075   0.138
  604    HZ   PHE  73           HZ       PHE  73   0.002  -6.118  -1.871
  605    H    ALA  74           H        ALA  74   0.513  -9.616   2.731
  606    HA   ALA  74           HA       ALA  74   0.446  -7.195   4.340
  607   1HB   ALA  74          1HB       ALA  74   1.972  -8.109   6.028
  608   2HB   ALA  74          2HB       ALA  74   1.848  -9.699   5.274
  609   3HB   ALA  74          3HB       ALA  74   0.428  -8.961   6.017
  610    H    VAL  75           H        VAL  75   1.867  -5.824   3.512
  611    HA   VAL  75           HA       VAL  75   3.915  -6.903   1.708
  612    HB   VAL  75           HB       VAL  75   4.168  -4.534   0.933
  613   1HG1  VAL  75          1HG1      VAL  75   2.824  -6.152  -0.293
  614   2HG1  VAL  75          2HG1      VAL  75   2.114  -4.539  -0.389
  615   3HG1  VAL  75          3HG1      VAL  75   1.420  -5.747   0.696
  616   1HG2  VAL  75          1HG2      VAL  75   3.317  -3.373   2.875
  617   2HG2  VAL  75          2HG2      VAL  75   1.732  -4.110   2.655
  618   3HG2  VAL  75          3HG2      VAL  75   2.345  -2.964   1.463
  619    H    ALA  76           H        ALA  76   3.586  -5.091   4.692
  620    HA   ALA  76           HA       ALA  76   6.097  -3.876   4.787
  621   1HB   ALA  76          1HB       ALA  76   5.821  -3.746   7.193
  622   2HB   ALA  76          2HB       ALA  76   4.535  -4.950   7.130
  623   3HB   ALA  76          3HB       ALA  76   4.304  -3.373   6.376
  624    HA   PRO  77           HA       PRO  77   7.694  -8.009   7.055
  625   1HB   PRO  77          1HB       PRO  77   6.039  -9.846   5.387
  626   2HB   PRO  77          2HB       PRO  77   6.613 -10.044   7.047
  627   1HG   PRO  77          1HG       PRO  77   4.085  -9.399   6.578
  628   2HG   PRO  77          2HG       PRO  77   4.973  -8.649   7.918
  629   1HD   PRO  77          1HD       PRO  77   4.241  -7.512   5.257
  630   2HD   PRO  77          2HD       PRO  77   4.310  -6.723   6.844
  631    H    TYR  78           H        TYR  78   6.704  -7.769   3.663
  632    HA   TYR  78           HA       TYR  78   9.063  -9.161   2.742
  633   1HB   TYR  78          1HB       TYR  78   7.088  -9.384   1.372
  634   2HB   TYR  78          2HB       TYR  78   6.932  -7.635   1.230
  635    HD1  TYR  78           HD1      TYR  78   9.174 -10.476   0.349
  636    HD2  TYR  78           HD2      TYR  78   7.979  -6.488  -0.535
  637    HE1  TYR  78           HE1      TYR  78  10.577 -10.508  -1.673
  638    HE2  TYR  78           HE2      TYR  78   9.379  -6.512  -2.558
  639    HH   TYR  78           HH       TYR  78  10.825  -9.402  -3.767
  640    H    TYR  79           H        TYR  79   7.949  -5.828   3.016
  641    HA   TYR  79           HA       TYR  79  10.136  -4.693   1.619
  642   1HB   TYR  79          1HB       TYR  79   8.000  -3.616   3.400
  643   2HB   TYR  79          2HB       TYR  79   9.390  -2.599   3.031
  644    HD1  TYR  79           HD1      TYR  79   6.624  -4.525   1.476
  645    HD2  TYR  79           HD2      TYR  79   9.556  -1.487   0.968
  646    HE1  TYR  79           HE1      TYR  79   5.607  -3.911  -0.675
  647    HE2  TYR  79           HE2      TYR  79   8.543  -0.860  -1.182
  648    HH   TYR  79           HH       TYR  79   5.498  -1.967  -2.172
  649    H    GLU  80           H        GLU  80   9.818  -5.922   4.822
  650    HA   GLU  80           HA       GLU  80  12.007  -4.599   6.012
  651   1HB   GLU  80          1HB       GLU  80  11.011  -7.416   6.478
  652   2HB   GLU  80          2HB       GLU  80  12.109  -6.537   7.533
  653   1HG   GLU  80          1HG       GLU  80  10.338  -4.848   7.896
  654   2HG   GLU  80          2HG       GLU  80   9.246  -5.842   6.930
  655    H    MET  81           H        MET  81  11.772  -7.190   3.715
  656    HA   MET  81           HA       MET  81  14.642  -7.718   3.817
  657   1HB   MET  81          1HB       MET  81  12.378  -8.934   2.239
  658   2HB   MET  81          2HB       MET  81  14.063  -9.359   1.973
  659   1HG   MET  81          1HG       MET  81  14.239 -10.194   4.235
  660   2HG   MET  81          2HG       MET  81  12.581  -9.692   4.572
  661   1HE   MET  81          1HE       MET  81  14.740 -11.860   2.080
  662   2HE   MET  81          2HE       MET  81  13.555 -11.015   1.083
  663   3HE   MET  81          3HE       MET  81  13.464 -12.768   1.270
  664    H    ALA  82           H        ALA  82  12.175  -6.372   1.704
  665    HA   ALA  82           HA       ALA  82  13.778  -5.947  -0.562
  666   1HB   ALA  82          1HB       ALA  82  11.365  -4.363   0.304
  667   2HB   ALA  82          2HB       ALA  82  11.315  -5.896  -0.566
  668   3HB   ALA  82          3HB       ALA  82  12.025  -4.473  -1.327
  669    H    LEU  83           H        LEU  83  13.073  -3.895   2.229
  670    HA   LEU  83           HA       LEU  83  14.899  -1.842   1.263
  671   1HB   LEU  83          1HB       LEU  83  13.352  -2.022   3.857
  672   2HB   LEU  83          2HB       LEU  83  14.252  -0.626   3.294
  673    HG   LEU  83           HG       LEU  83  11.868  -1.782   1.850
  674   1HD1  LEU  83          1HD1      LEU  83  10.601   0.086   2.726
  675   2HD1  LEU  83          2HD1      LEU  83  12.005   0.637   3.639
  676   3HD1  LEU  83          3HD1      LEU  83  11.234  -0.895   4.048
  677   1HD2  LEU  83          1HD2      LEU  83  13.390  -0.570   0.400
  678   2HD2  LEU  83          2HD2      LEU  83  13.383   0.801   1.509
  679   3HD2  LEU  83          3HD2      LEU  83  11.910   0.356   0.648
  680    H    ALA  84           H        ALA  84  16.948  -1.575   1.996
  681    HA   ALA  84           HA       ALA  84  18.060  -3.850   3.426
  682   1HB   ALA  84          1HB       ALA  84  19.065  -3.129   1.316
  683   2HB   ALA  84          2HB       ALA  84  20.210  -3.023   2.654
  684   3HB   ALA  84          3HB       ALA  84  19.440  -1.562   2.034
  685    H    THR  85           H        THR  85  20.253  -2.985   4.601
  686    HA   THR  85           HA       THR  85  19.289  -1.788   7.017
  687    HB   THR  85           HB       THR  85  22.194  -2.059   6.752
  688    HG1  THR  85           HG1      THR  85  20.999  -4.558   6.786
  689   1HG2  THR  85          1HG2      THR  85  20.144  -3.390   8.522
  690   2HG2  THR  85          2HG2      THR  85  21.010  -1.897   8.893
  691   3HG2  THR  85          3HG2      THR  85  21.891  -3.422   8.762
  692    H    ASP  86           H        ASP  86  20.266  -0.515   4.156
  693    HA   ASP  86           HA       ASP  86  21.394   1.917   5.353
  694   1HB   ASP  86          1HB       ASP  86  22.838   0.899   3.668
  695   2HB   ASP  86          2HB       ASP  86  21.511   0.861   2.513
  696    H    HIS  87           H        HIS  87  20.657   3.961   4.405
  697    HA   HIS  87           HA       HIS  87  19.088   5.467   3.744
  698   1HB   HIS  87          1HB       HIS  87  18.764   3.504   1.897
  699   2HB   HIS  87          2HB       HIS  87  17.171   3.498   2.643
  700    HD1  HIS  87           HD1      HIS  87  19.435   5.548   0.512
  701    HD2  HIS  87           HD2      HIS  87  15.618   5.799   2.151
  702    HE1  HIS  87           HE1      HIS  87  18.315   7.473  -0.661
  703    HE2  HIS  87           HE2      HIS  87  16.113   7.759   0.530
  704    HA   PRO  88           HA       PRO  88  16.966   4.433   7.677
  705   1HB   PRO  88          1HB       PRO  88  16.796   7.051   8.474
  706   2HB   PRO  88          2HB       PRO  88  18.200   6.016   8.754
  707   1HG   PRO  88          1HG       PRO  88  17.743   8.050   6.606
  708   2HG   PRO  88          2HG       PRO  88  19.202   7.746   7.567
  709   1HD   PRO  88          1HD       PRO  88  18.972   6.847   5.052
  710   2HD   PRO  88          2HD       PRO  88  19.802   5.897   6.303
  711    H    GLN  89           H        GLN  89  15.980   6.335   5.004
  712    HA   GLN  89           HA       GLN  89  13.474   7.240   5.978
  713   1HB   GLN  89          1HB       GLN  89  14.420   6.763   3.149
  714   2HB   GLN  89          2HB       GLN  89  12.927   7.587   3.577
  715   1HG   GLN  89          1HG       GLN  89  14.182   9.340   4.682
  716   2HG   GLN  89          2HG       GLN  89  15.693   8.497   4.341
  717   1HE2  GLN  89          1HE2      GLN  89  14.814  11.172   3.533
  718   2HE2  GLN  89          2HE2      GLN  89  14.903  11.193   1.803
  719    H    ARG  90           H        ARG  90  14.546   4.158   5.378
  720    HA   ARG  90           HA       ARG  90  12.371   2.906   4.133
  721   1HB   ARG  90          1HB       ARG  90  13.255   0.844   4.975
  722   2HB   ARG  90          2HB       ARG  90  14.619   1.880   4.576
  723   1HG   ARG  90          1HG       ARG  90  14.947   2.411   6.911
  724   2HG   ARG  90          2HG       ARG  90  13.514   1.479   7.349
  725   1HD   ARG  90          1HD       ARG  90  14.673  -0.510   6.269
  726   2HD   ARG  90          2HD       ARG  90  16.134   0.479   6.274
  727    HE   ARG  90           HE       ARG  90  14.944   0.432   8.855
  728   1HH1  ARG  90          1HH1      ARG  90  16.855  -1.481   6.637
  729   2HH1  ARG  90          2HH1      ARG  90  17.526  -2.496   7.879
  730   1HH2  ARG  90          1HH2      ARG  90  15.847  -0.889  10.507
  731   2HH2  ARG  90          2HH2      ARG  90  16.977  -2.141  10.079
  732    H    ALA  91           H        ALA  91  12.857   3.976   7.420
  733    HA   ALA  91           HA       ALA  91  10.920   2.379   8.699
  734   1HB   ALA  91          1HB       ALA  91  11.101   3.971  10.543
  735   2HB   ALA  91          2HB       ALA  91  11.968   5.094   9.493
  736   3HB   ALA  91          3HB       ALA  91  12.690   3.538   9.911
  737    H    LEU  92           H        LEU  92  10.686   5.329   6.883
  738    HA   LEU  92           HA       LEU  92   8.161   6.213   7.800
  739   1HB   LEU  92          1HB       LEU  92   9.383   6.612   5.066
  740   2HB   LEU  92          2HB       LEU  92   8.134   7.593   5.805
  741    HG   LEU  92           HG       LEU  92  10.968   7.372   6.820
  742   1HD1  LEU  92          1HD1      LEU  92  11.215   9.659   5.964
  743   2HD1  LEU  92          2HD1      LEU  92   9.616   9.543   5.229
  744   3HD1  LEU  92          3HD1      LEU  92  10.919   8.489   4.678
  745   1HD2  LEU  92          1HD2      LEU  92   9.359   7.868   8.577
  746   2HD2  LEU  92          2HD2      LEU  92   8.695   9.189   7.615
  747   3HD2  LEU  92          3HD2      LEU  92  10.350   9.284   8.220
  748    H    ILE  93           H        ILE  93   9.145   4.366   4.950
  749    HA   ILE  93           HA       ILE  93   6.557   3.920   3.941
  750    HB   ILE  93           HB       ILE  93   9.006   2.199   3.517
  751   1HG1  ILE  93          1HG1      ILE  93   8.095   4.623   1.944
  752   2HG1  ILE  93          2HG1      ILE  93   9.439   4.611   3.081
  753   1HG2  ILE  93          1HG2      ILE  93   6.934   1.186   2.735
  754   2HG2  ILE  93          2HG2      ILE  93   7.957   1.650   1.376
  755   3HG2  ILE  93          3HG2      ILE  93   6.562   2.638   1.806
  756   1HD1  ILE  93          1HD1      ILE  93   9.263   3.000   0.544
  757   2HD1  ILE  93          2HD1      ILE  93  10.611   2.996   1.681
  758   3HD1  ILE  93          3HD1      ILE  93  10.217   4.465   0.786
  759    H    LEU  94           H        LEU  94   8.690   1.959   5.992
  760    HA   LEU  94           HA       LEU  94   7.157  -0.361   6.094
  761   1HB   LEU  94          1HB       LEU  94   9.028   0.839   8.124
  762   2HB   LEU  94          2HB       LEU  94   8.312  -0.751   8.304
  763    HG   LEU  94           HG       LEU  94  10.134   0.096   6.050
  764   1HD1  LEU  94          1HD1      LEU  94  10.643  -1.688   8.425
  765   2HD1  LEU  94          2HD1      LEU  94  11.309  -0.073   8.176
  766   3HD1  LEU  94          3HD1      LEU  94  11.762  -1.391   7.095
  767   1HD2  LEU  94          1HD2      LEU  94   8.526  -1.584   5.342
  768   2HD2  LEU  94          2HD2      LEU  94   8.940  -2.588   6.730
  769   3HD2  LEU  94          3HD2      LEU  94  10.138  -2.288   5.473
  770    H    ALA  95           H        ALA  95   7.108   2.420   8.327
  771    HA   ALA  95           HA       ALA  95   5.212   1.378  10.106
  772   1HB   ALA  95          1HB       ALA  95   6.621   3.321  10.615
  773   2HB   ALA  95          2HB       ALA  95   4.912   3.666  10.885
  774   3HB   ALA  95          3HB       ALA  95   5.717   4.278   9.441
  775    H    GLU  96           H        GLU  96   4.802   3.354   7.196
  776    HA   GLU  96           HA       GLU  96   2.005   3.706   7.465
  777   1HB   GLU  96          1HB       GLU  96   3.726   4.936   5.941
  778   2HB   GLU  96          2HB       GLU  96   3.394   3.637   4.805
  779   1HG   GLU  96          1HG       GLU  96   2.029   5.569   4.307
  780   2HG   GLU  96          2HG       GLU  96   1.018   4.222   4.835
  781    H    LEU  97           H        LEU  97   4.003   1.264   5.891
  782    HA   LEU  97           HA       LEU  97   1.885  -0.131   4.626
  783   1HB   LEU  97          1HB       LEU  97   4.611  -1.092   5.492
  784   2HB   LEU  97          2HB       LEU  97   3.509  -2.009   4.485
  785    HG   LEU  97           HG       LEU  97   4.761   0.639   3.756
  786   1HD1  LEU  97          1HD1      LEU  97   5.292  -2.146   2.734
  787   2HD1  LEU  97          2HD1      LEU  97   6.361  -1.199   3.771
  788   3HD1  LEU  97          3HD1      LEU  97   6.023  -0.660   2.125
  789   1HD2  LEU  97          1HD2      LEU  97   3.788   0.269   1.552
  790   2HD2  LEU  97          2HD2      LEU  97   2.530   0.358   2.785
  791   3HD2  LEU  97          3HD2      LEU  97   3.013  -1.207   2.130
  792    H    GLU  98           H        GLU  98   3.433  -0.445   7.790
  793    HA   GLU  98           HA       GLU  98   2.189  -2.795   8.638
  794   1HB   GLU  98          1HB       GLU  98   3.028  -0.381  10.248
  795   2HB   GLU  98          2HB       GLU  98   2.519  -1.909  10.952
  796   1HG   GLU  98          1HG       GLU  98   4.375  -3.029   9.777
  797   2HG   GLU  98          2HG       GLU  98   4.909  -1.454   9.187
  798    H    LYS  99           H        LYS  99   1.049   0.549   8.719
  799    HA   LYS  99           HA       LYS  99  -1.382   0.031  10.063
  800   1HB   LYS  99          1HB       LYS  99  -0.382   2.219   8.292
  801   2HB   LYS  99          2HB       LYS  99  -2.098   2.150   8.675
  802   1HG   LYS  99          1HG       LYS  99  -1.635   2.309  11.024
  803   2HG   LYS  99          2HG       LYS  99   0.104   2.226  10.724
  804   1HD   LYS  99          1HD       LYS  99  -1.716   4.403   9.694
  805   2HD   LYS  99          2HD       LYS  99  -0.727   4.534  11.150
  806   1HE   LYS  99          1HE       LYS  99   1.287   4.219   9.822
  807   2HE   LYS  99          2HE       LYS  99   0.313   4.029   8.365
  808   1HZ   LYS  99          1HZ       LYS  99   0.592   6.482  10.018
  809   2HZ   LYS  99          2HZ       LYS  99  -0.517   6.311   8.748
  810   3HZ   LYS  99          3HZ       LYS  99   1.140   6.243   8.427
  811    H    LEU 100           H        LEU 100  -0.485  -0.043   6.660
  812    HA   LEU 100           HA       LEU 100  -3.078  -0.448   5.611
  813   1HB   LEU 100          1HB       LEU 100  -1.163   0.298   4.264
  814   2HB   LEU 100          2HB       LEU 100  -0.390  -1.258   4.492
  815    HG   LEU 100           HG       LEU 100  -2.267  -2.327   3.264
  816   1HD1  LEU 100          1HD1      LEU 100  -3.997  -0.685   3.679
  817   2HD1  LEU 100          2HD1      LEU 100  -3.759  -0.891   1.943
  818   3HD1  LEU 100          3HD1      LEU 100  -3.101   0.526   2.762
  819   1HD2  LEU 100          1HD2      LEU 100  -1.589  -1.511   1.042
  820   2HD2  LEU 100          2HD2      LEU 100  -0.210  -1.791   2.105
  821   3HD2  LEU 100          3HD2      LEU 100  -0.775  -0.147   1.807
  822    H    ASP 101           H        ASP 101  -0.432  -2.754   6.220
  823    HA   ASP 101           HA       ASP 101  -1.794  -5.091   5.543
  824   1HB   ASP 101          1HB       ASP 101   0.387  -4.715   7.607
  825   2HB   ASP 101          2HB       ASP 101  -0.141  -6.270   6.981
  826    H    ALA 102           H        ALA 102  -1.736  -3.278   8.549
  827    HA   ALA 102           HA       ALA 102  -3.041  -5.164  10.179
  828   1HB   ALA 102          1HB       ALA 102  -3.540  -3.282  11.655
  829   2HB   ALA 102          2HB       ALA 102  -3.072  -2.155  10.382
  830   3HB   ALA 102          3HB       ALA 102  -1.870  -3.229  11.094
  831    H    LEU 103           H        LEU 103  -4.235  -2.836   7.851
  832    HA   LEU 103           HA       LEU 103  -6.965  -2.986   8.709
  833   1HB   LEU 103          1HB       LEU 103  -5.763  -1.976   6.132
  834   2HB   LEU 103          2HB       LEU 103  -7.445  -1.790   6.592
  835    HG   LEU 103           HG       LEU 103  -5.099  -0.614   8.086
  836   1HD1  LEU 103          1HD1      LEU 103  -5.855   1.515   7.215
  837   2HD1  LEU 103          2HD1      LEU 103  -7.135   0.709   6.308
  838   3HD1  LEU 103          3HD1      LEU 103  -5.446   0.415   5.897
  839   1HD2  LEU 103          1HD2      LEU 103  -8.067  -0.218   8.461
  840   2HD2  LEU 103          2HD2      LEU 103  -6.785   0.615   9.340
  841   3HD2  LEU 103          3HD2      LEU 103  -7.003  -1.124   9.538
  842    H    PHE 104           H        PHE 104  -4.952  -4.720   6.433
  843    HA   PHE 104           HA       PHE 104  -7.072  -6.100   5.134
  844   1HB   PHE 104          1HB       PHE 104  -4.138  -6.710   5.461
  845   2HB   PHE 104          2HB       PHE 104  -5.225  -7.816   4.625
  846    HD1  PHE 104           HD2      PHE 104  -3.589  -4.545   4.516
  847    HD2  PHE 104           HD1      PHE 104  -6.154  -7.256   2.476
  848    HE1  PHE 104           HE2      PHE 104  -3.331  -3.230   2.455
  849    HE2  PHE 104           HE1      PHE 104  -5.893  -5.952   0.406
  850    HZ   PHE 104           HZ       PHE 104  -4.481  -3.932   0.393
  851    H    ALA 105           H        ALA 105  -5.419  -6.548   8.158
  852    HA   ALA 105           HA       ALA 105  -6.567  -9.181   8.578
  853   1HB   ALA 105          1HB       ALA 105  -4.314  -8.712   9.411
  854   2HB   ALA 105          2HB       ALA 105  -5.411  -9.129  10.727
  855   3HB   ALA 105          3HB       ALA 105  -4.961  -7.446  10.453
  856    H    ASP 106           H        ASP 106  -7.012  -5.875   9.723
  857    HA   ASP 106           HA       ASP 106  -9.237  -6.716  11.415
  858   1HB   ASP 106          1HB       ASP 106  -7.622  -5.059  12.308
  859   2HB   ASP 106          2HB       ASP 106  -8.075  -3.946  11.022
  860    H    ASP 107           H        ASP 107 -10.653  -7.374   9.795
  861    HA   ASP 107           HA       ASP 107 -11.586  -5.422   7.862
  862   1HB   ASP 107          1HB       ASP 107 -12.908  -7.231   6.934
  863   2HB   ASP 107          2HB       ASP 107 -11.275  -7.820   7.234
  864    H    ALA 108           H        ALA 108 -12.000  -5.240  10.807
  865    HA   ALA 108           HA       ALA 108 -14.823  -5.676  11.198
  866   1HB   ALA 108          1HB       ALA 108 -13.225  -6.105  13.008
  867   2HB   ALA 108          2HB       ALA 108 -14.442  -4.914  13.467
  868   3HB   ALA 108          3HB       ALA 108 -12.813  -4.391  13.037
  869    H    SER 109           H        SER 109 -15.957  -4.290   9.902
  870    HA   SER 109           HA       SER 109 -15.480  -1.492   9.787
  871   1HB   SER 109          1HB       SER 109 -18.056  -3.000   9.254
  872   2HB   SER 109          2HB       SER 109 -17.684  -1.356   8.734
  873    HG   SER 109           HG       SER 109 -15.730  -3.034   7.941
  874    H    LEU 110           H        LEU 110 -15.366  -0.520  11.740
  875    HA   LEU 110           HA       LEU 110 -17.187  -1.234  13.858
  876   1HB   LEU 110          1HB       LEU 110 -14.824  -0.817  14.338
  877   2HB   LEU 110          2HB       LEU 110 -14.988   0.830  13.757
  878    HG   LEU 110           HG       LEU 110 -16.518   1.344  15.600
  879   1HD1  LEU 110          1HD1      LEU 110 -16.874  -0.263  17.402
  880   2HD1  LEU 110          2HD1      LEU 110 -15.987  -1.488  16.492
  881   3HD1  LEU 110          3HD1      LEU 110 -17.517  -0.865  15.874
  882   1HD2  LEU 110          1HD2      LEU 110 -14.894   1.195  17.432
  883   2HD2  LEU 110          2HD2      LEU 110 -14.140   1.714  15.926
  884   3HD2  LEU 110          3HD2      LEU 110 -13.940   0.053  16.485
  885    H    GLU 111           H        GLU 111 -19.133  -0.415  13.934
  886    HA   GLU 111           HA       GLU 111 -19.811   2.139  12.808
  887   1HB   GLU 111          1HB       GLU 111 -21.390   0.225  14.533
  888   2HB   GLU 111          2HB       GLU 111 -22.048   1.670  13.779
  889   1HG   GLU 111          1HG       GLU 111 -21.622   0.764  11.581
  890   2HG   GLU 111          2HG       GLU 111 -20.852  -0.657  12.292
  891    H    HIS 112           H        HIS 112 -20.971   3.772  14.194
  892    HA   HIS 112           HA       HIS 112 -19.257   4.409  16.429
  893   1HB   HIS 112          1HB       HIS 112 -21.625   5.887  15.259
  894   2HB   HIS 112          2HB       HIS 112 -20.606   6.503  16.555
  895    HD1  HIS 112           HD1      HIS 112 -20.961   7.855  13.709
  896    HD2  HIS 112           HD2      HIS 112 -17.773   5.463  14.911
  897    HE1  HIS 112           HE1      HIS 112 -19.031   8.493  12.223
  898    HE2  HIS 112           HE2      HIS 112 -17.068   7.152  13.079
  899    H    HIS 113           H        HIS 113 -22.505   3.304  15.873
  900    HA   HIS 113           HA       HIS 113 -23.977   2.202  17.177
  901   1HB   HIS 113          1HB       HIS 113 -21.712   2.249  19.159
  902   2HB   HIS 113          2HB       HIS 113 -23.282   1.548  19.541
  903    HD1  HIS 113           HD1      HIS 113 -24.045  -0.483  17.927
  904    HD2  HIS 113           HD2      HIS 113 -20.024   0.587  17.807
  905    HE1  HIS 113           HE1      HIS 113 -22.858  -2.420  16.848
  906    HE2  HIS 113           HE2      HIS 113 -20.408  -1.848  17.012
  907    H    HIS 114           H        HIS 114 -22.648   5.190  18.194
  908    HA   HIS 114           HA       HIS 114 -24.858   5.793  19.957
  909   1HB   HIS 114          1HB       HIS 114 -22.735   7.591  18.753
  910   2HB   HIS 114          2HB       HIS 114 -23.939   8.109  19.928
  911    HD1  HIS 114           HD1      HIS 114 -23.685   7.159  22.376
  912    HD2  HIS 114           HD2      HIS 114 -20.530   6.298  19.797
  913    HE1  HIS 114           HE1      HIS 114 -21.791   6.381  23.846
  914    HE2  HIS 114           HE2      HIS 114 -19.900   5.841  22.267
  915    H    HIS 115           H        HIS 115 -26.801   6.376  19.252
  916    HA   HIS 115           HA       HIS 115 -27.259   6.522  16.431
  917   1HB   HIS 115          1HB       HIS 115 -29.083   6.814  18.812
  918   2HB   HIS 115          2HB       HIS 115 -29.654   7.023  17.159
  919    HD1  HIS 115           HD1      HIS 115 -29.884   4.607  19.573
  920    HD2  HIS 115           HD2      HIS 115 -28.483   4.489  15.660
  921    HE1  HIS 115           HE1      HIS 115 -30.018   2.192  18.874
  922    HE2  HIS 115           HE2      HIS 115 -29.412   2.204  16.427
  923    H    HIS 116           H        HIS 116 -27.284   8.199  15.170
  924    HA   HIS 116           HA       HIS 116 -26.780  10.834  16.119
  925   1HB   HIS 116          1HB       HIS 116 -26.062   9.930  13.887
  926   2HB   HIS 116          2HB       HIS 116 -27.746   9.965  13.379
  927    HD1  HIS 116           HD1      HIS 116 -24.775  12.123  13.919
  928    HD2  HIS 116           HD2      HIS 116 -28.787  12.550  12.899
  929    HE1  HIS 116           HE1      HIS 116 -25.009  14.473  13.045
  930    HE2  HIS 116           HE2      HIS 116 -27.390  14.623  12.226
  931    H    HIS 117           H        HIS 117 -29.556   9.143  14.802
  932    HA   HIS 117           HA       HIS 117 -31.475  10.097  16.497
  933   1HB   HIS 117          1HB       HIS 117 -30.949  12.005  14.317
  934   2HB   HIS 117          2HB       HIS 117 -32.635  11.513  14.443
  935    HD1  HIS 117           HD1      HIS 117 -32.179  14.367  15.025
  936    HD2  HIS 117           HD2      HIS 117 -31.758  11.452  17.961
  937    HE1  HIS 117           HE1      HIS 117 -32.417  15.572  17.219
  938    HE2  HIS 117           HE2      HIS 117 -31.931  13.828  18.970
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1 -17.289  -4.051   6.806
    2   2H    MET   1          2H        MET   1 -15.840  -4.460   6.019
    3   3H    MET   1          3H        MET   1 -17.265  -5.287   5.643
    4    HA   MET   1           HA       MET   1 -16.743  -3.736   3.912
    5   1HB   MET   1          1HB       MET   1 -19.106  -2.880   5.595
    6   2HB   MET   1          2HB       MET   1 -18.858  -2.434   3.911
    7   1HG   MET   1          1HG       MET   1 -18.924  -4.834   3.317
    8   2HG   MET   1          2HG       MET   1 -19.301  -5.204   5.000
    9   1HE   MET   1          1HE       MET   1 -21.480  -6.514   4.298
   10   2HE   MET   1          2HE       MET   1 -21.112  -6.200   2.603
   11   3HE   MET   1          3HE       MET   1 -22.722  -5.854   3.235
   12    H    THR   2           H        THR   2 -17.095  -2.183   7.067
   13    HA   THR   2           HA       THR   2 -16.825   0.472   6.336
   14    HB   THR   2           HB       THR   2 -15.657  -0.628   8.883
   15    HG1  THR   2           HG1      THR   2 -18.412  -0.332   8.169
   16   1HG2  THR   2          1HG2      THR   2 -15.473   1.787   8.491
   17   2HG2  THR   2          2HG2      THR   2 -16.567   1.439   9.831
   18   3HG2  THR   2          3HG2      THR   2 -17.218   1.881   8.253
   19    H    THR   3           H        THR   3 -14.305  -1.905   7.055
   20    HA   THR   3           HA       THR   3 -12.130  -0.169   7.196
   21    HB   THR   3           HB       THR   3 -12.145  -3.043   6.259
   22    HG1  THR   3           HG1      THR   3 -11.301  -2.906   8.715
   23   1HG2  THR   3          1HG2      THR   3  -9.819  -3.085   6.994
   24   2HG2  THR   3          2HG2      THR   3  -9.910  -1.380   7.436
   25   3HG2  THR   3          3HG2      THR   3 -10.044  -1.861   5.744
   26    H    HIS   4           H        HIS   4 -13.795  -1.427   4.377
   27    HA   HIS   4           HA       HIS   4 -11.768  -1.266   2.466
   28   1HB   HIS   4          1HB       HIS   4 -14.713  -0.698   2.080
   29   2HB   HIS   4          2HB       HIS   4 -13.560  -0.976   0.782
   30    HD1  HIS   4           HD1      HIS   4 -16.182  -2.678   1.938
   31    HD2  HIS   4           HD2      HIS   4 -12.152  -3.697   1.860
   32    HE1  HIS   4           HE1      HIS   4 -16.113  -5.188   2.077
   33    HE2  HIS   4           HE2      HIS   4 -13.689  -5.777   1.766
   34    H    ASP   5           H        ASP   5 -13.984   1.237   3.614
   35    HA   ASP   5           HA       ASP   5 -13.166   3.219   1.759
   36   1HB   ASP   5          1HB       ASP   5 -15.310   3.136   3.167
   37   2HB   ASP   5          2HB       ASP   5 -14.329   3.775   4.483
   38    H    ARG   6           H        ARG   6 -12.077   2.249   4.938
   39    HA   ARG   6           HA       ARG   6 -10.371   4.506   5.351
   40   1HB   ARG   6          1HB       ARG   6 -10.289   1.798   6.695
   41   2HB   ARG   6          2HB       ARG   6  -9.501   3.264   7.263
   42   1HG   ARG   6          1HG       ARG   6 -11.783   4.304   7.424
   43   2HG   ARG   6          2HG       ARG   6 -12.449   2.702   7.113
   44   1HD   ARG   6          1HD       ARG   6 -10.630   3.439   9.401
   45   2HD   ARG   6          2HD       ARG   6 -12.376   3.231   9.506
   46    HE   ARG   6           HE       ARG   6 -10.814   0.958   8.560
   47   1HH1  ARG   6          1HH1      ARG   6 -12.616   2.493  11.135
   48   2HH1  ARG   6          2HH1      ARG   6 -12.696   1.056  12.104
   49   1HH2  ARG   6          1HH2      ARG   6 -10.950  -0.960   9.844
   50   2HH2  ARG   6          2HH2      ARG   6 -11.754  -0.892  11.382
   51    H    VAL   7           H        VAL   7  -9.970   1.254   4.059
   52    HA   VAL   7           HA       VAL   7  -7.175   1.267   3.742
   53    HB   VAL   7           HB       VAL   7  -9.286  -0.090   2.044
   54   1HG1  VAL   7          1HG1      VAL   7  -6.313  -0.592   2.164
   55   2HG1  VAL   7          2HG1      VAL   7  -7.202   0.090   0.802
   56   3HG1  VAL   7          3HG1      VAL   7  -7.488  -1.580   1.294
   57   1HG2  VAL   7          1HG2      VAL   7  -8.713  -2.086   3.344
   58   2HG2  VAL   7          2HG2      VAL   7  -9.333  -0.792   4.370
   59   3HG2  VAL   7          3HG2      VAL   7  -7.601  -1.126   4.320
   60    H    ARG   8           H        ARG   8  -9.796   2.466   1.709
   61    HA   ARG   8           HA       ARG   8  -8.287   3.172  -0.547
   62   1HB   ARG   8          1HB       ARG   8 -10.859   3.145  -0.216
   63   2HB   ARG   8          2HB       ARG   8 -10.648   4.781   0.397
   64   1HG   ARG   8          1HG       ARG   8  -9.351   5.154  -1.826
   65   2HG   ARG   8          2HG       ARG   8 -10.234   3.723  -2.359
   66   1HD   ARG   8          1HD       ARG   8 -11.631   5.439  -3.011
   67   2HD   ARG   8          2HD       ARG   8 -12.310   4.971  -1.452
   68    HE   ARG   8           HE       ARG   8 -10.358   7.096  -1.323
   69   1HH1  ARG   8          1HH1      ARG   8 -13.743   6.262  -1.545
   70   2HH1  ARG   8          2HH1      ARG   8 -14.295   7.865  -1.150
   71   1HH2  ARG   8          1HH2      ARG   8 -11.069   9.216  -0.815
   72   2HH2  ARG   8          2HH2      ARG   8 -12.774   9.551  -0.762
   73    H    LEU   9           H        LEU   9  -9.129   4.975   2.372
   74    HA   LEU   9           HA       LEU   9  -7.894   7.405   1.616
   75   1HB   LEU   9          1HB       LEU   9  -8.413   6.338   4.396
   76   2HB   LEU   9          2HB       LEU   9  -8.067   8.006   3.983
   77    HG   LEU   9           HG       LEU   9 -10.534   6.454   3.192
   78   1HD1  LEU   9          1HD1      LEU   9 -11.692   8.009   4.666
   79   2HD1  LEU   9          2HD1      LEU   9 -10.153   8.754   5.100
   80   3HD1  LEU   9          3HD1      LEU   9 -10.479   7.078   5.546
   81   1HD2  LEU   9          1HD2      LEU   9  -9.894   8.032   1.447
   82   2HD2  LEU   9          2HD2      LEU   9  -9.792   9.327   2.643
   83   3HD2  LEU   9          3HD2      LEU   9 -11.347   8.571   2.288
   84    H    GLN  10           H        GLN  10  -6.761   4.553   3.348
   85    HA   GLN  10           HA       GLN  10  -4.278   5.542   4.193
   86   1HB   GLN  10          1HB       GLN  10  -5.422   3.362   4.863
   87   2HB   GLN  10          2HB       GLN  10  -4.812   2.691   3.359
   88   1HG   GLN  10          1HG       GLN  10  -2.999   3.929   5.403
   89   2HG   GLN  10          2HG       GLN  10  -3.482   2.238   5.474
   90   1HE2  GLN  10          1HE2      GLN  10  -0.855   3.494   5.095
   91   2HE2  GLN  10          2HE2      GLN  10  -0.240   2.819   3.623
   92    H    LEU  11           H        LEU  11  -5.217   3.858   1.212
   93    HA   LEU  11           HA       LEU  11  -2.739   3.753  -0.050
   94   1HB   LEU  11          1HB       LEU  11  -5.463   4.195  -1.276
   95   2HB   LEU  11          2HB       LEU  11  -4.027   3.752  -2.175
   96    HG   LEU  11           HG       LEU  11  -5.300   2.056  -0.031
   97   1HD1  LEU  11          1HD1      LEU  11  -6.734   2.274  -1.993
   98   2HD1  LEU  11          2HD1      LEU  11  -6.060   0.649  -1.870
   99   3HD1  LEU  11          3HD1      LEU  11  -5.391   1.797  -3.033
  100   1HD2  LEU  11          1HD2      LEU  11  -3.813   0.305  -0.875
  101   2HD2  LEU  11          2HD2      LEU  11  -2.901   1.682  -0.255
  102   3HD2  LEU  11          3HD2      LEU  11  -3.087   1.461  -1.994
  103    H    GLN  12           H        GLN  12  -5.135   6.331  -0.007
  104    HA   GLN  12           HA       GLN  12  -3.737   8.025  -1.816
  105   1HB   GLN  12          1HB       GLN  12  -5.980   8.571   0.132
  106   2HB   GLN  12          2HB       GLN  12  -5.392   9.738  -1.048
  107   1HG   GLN  12          1HG       GLN  12  -6.069   8.354  -2.867
  108   2HG   GLN  12          2HG       GLN  12  -6.444   7.018  -1.785
  109   1HE2  GLN  12          1HE2      GLN  12  -8.098   8.419  -3.760
  110   2HE2  GLN  12          2HE2      GLN  12  -9.481   8.990  -2.888
  111    H    ALA  13           H        ALA  13  -3.744   7.624   1.661
  112    HA   ALA  13           HA       ALA  13  -2.213   9.972   2.231
  113   1HB   ALA  13          1HB       ALA  13  -3.623   8.881   3.923
  114   2HB   ALA  13          2HB       ALA  13  -1.950   9.029   4.457
  115   3HB   ALA  13          3HB       ALA  13  -2.561   7.475   3.890
  116    H    LEU  14           H        LEU  14  -1.465   6.558   1.707
  117    HA   LEU  14           HA       LEU  14   1.317   6.708   2.133
  118   1HB   LEU  14          1HB       LEU  14   0.113   4.591   2.021
  119   2HB   LEU  14          2HB       LEU  14  -0.292   4.885   0.341
  120    HG   LEU  14           HG       LEU  14   2.111   4.748  -0.240
  121   1HD1  LEU  14          1HD1      LEU  14   3.685   3.848   1.413
  122   2HD1  LEU  14          2HD1      LEU  14   2.439   3.978   2.656
  123   3HD1  LEU  14          3HD1      LEU  14   3.068   5.433   1.882
  124   1HD2  LEU  14          1HD2      LEU  14   2.318   2.326   0.062
  125   2HD2  LEU  14          2HD2      LEU  14   0.692   2.785  -0.444
  126   3HD2  LEU  14          3HD2      LEU  14   1.007   2.365   1.240
  127    H    GLU  15           H        GLU  15  -0.685   7.192  -0.726
  128    HA   GLU  15           HA       GLU  15   1.272   7.645  -2.643
  129   1HB   GLU  15          1HB       GLU  15  -1.084   7.495  -3.212
  130   2HB   GLU  15          2HB       GLU  15  -1.433   8.954  -2.297
  131   1HG   GLU  15          1HG       GLU  15   0.005  10.217  -3.870
  132   2HG   GLU  15          2HG       GLU  15   0.181   8.745  -4.826
  133    H    ALA  16           H        ALA  16  -0.177   9.897  -0.321
  134    HA   ALA  16           HA       ALA  16   1.181  12.208  -1.174
  135   1HB   ALA  16          1HB       ALA  16   0.602  13.133   1.025
  136   2HB   ALA  16          2HB       ALA  16   0.118  11.523   1.564
  137   3HB   ALA  16          3HB       ALA  16  -0.769  12.324   0.264
  138    H    LEU  17           H        LEU  17   2.017   9.732   1.207
  139    HA   LEU  17           HA       LEU  17   4.335  10.918   2.246
  140   1HB   LEU  17          1HB       LEU  17   3.102   8.917   3.146
  141   2HB   LEU  17          2HB       LEU  17   3.818   7.964   1.866
  142    HG   LEU  17           HG       LEU  17   5.555   9.440   3.828
  143   1HD1  LEU  17          1HD1      LEU  17   4.012   8.115   5.161
  144   2HD1  LEU  17          2HD1      LEU  17   5.625   7.397   5.182
  145   3HD1  LEU  17          3HD1      LEU  17   4.359   6.694   4.175
  146   1HD2  LEU  17          1HD2      LEU  17   5.951   6.922   2.204
  147   2HD2  LEU  17          2HD2      LEU  17   7.138   7.652   3.288
  148   3HD2  LEU  17          3HD2      LEU  17   6.625   8.510   1.834
  149    H    LEU  18           H        LEU  18   3.914   8.667  -0.473
  150    HA   LEU  18           HA       LEU  18   6.649   8.585  -1.218
  151   1HB   LEU  18          1HB       LEU  18   4.199   8.143  -2.930
  152   2HB   LEU  18          2HB       LEU  18   5.834   7.675  -3.351
  153    HG   LEU  18           HG       LEU  18   4.238   6.556  -1.046
  154   1HD1  LEU  18          1HD1      LEU  18   4.182   4.504  -2.384
  155   2HD1  LEU  18          2HD1      LEU  18   4.968   5.356  -3.712
  156   3HD1  LEU  18          3HD1      LEU  18   3.355   5.835  -3.188
  157   1HD2  LEU  18          1HD2      LEU  18   6.632   6.587  -0.590
  158   2HD2  LEU  18          2HD2      LEU  18   6.945   5.782  -2.127
  159   3HD2  LEU  18          3HD2      LEU  18   6.061   4.940  -0.854
  160    H    ARG  19           H        ARG  19   3.938  10.574  -2.173
  161    HA   ARG  19           HA       ARG  19   5.057  12.080  -4.219
  162   1HB   ARG  19          1HB       ARG  19   2.740  12.206  -3.832
  163   2HB   ARG  19          2HB       ARG  19   2.954  12.615  -2.141
  164   1HG   ARG  19          1HG       ARG  19   3.719  14.836  -2.759
  165   2HG   ARG  19          2HG       ARG  19   3.566  14.420  -4.472
  166   1HD   ARG  19          1HD       ARG  19   1.229  14.223  -4.326
  167   2HD   ARG  19          2HD       ARG  19   1.262  14.165  -2.567
  168    HE   ARG  19           HE       ARG  19   2.283  16.632  -3.248
  169   1HH1  ARG  19          1HH1      ARG  19  -0.696  14.878  -3.833
  170   2HH1  ARG  19          2HH1      ARG  19  -1.691  16.308  -3.817
  171   1HH2  ARG  19          1HH2      ARG  19   0.969  18.520  -3.224
  172   2HH2  ARG  19          2HH2      ARG  19  -0.751  18.369  -3.454
  173    H    GLU  20           H        GLU  20   5.230  12.556  -0.708
  174    HA   GLU  20           HA       GLU  20   6.578  15.017  -0.696
  175   1HB   GLU  20          1HB       GLU  20   6.830  12.734   1.272
  176   2HB   GLU  20          2HB       GLU  20   7.349  14.388   1.560
  177   1HG   GLU  20          1HG       GLU  20   5.033  15.142   1.378
  178   2HG   GLU  20          2HG       GLU  20   4.518  13.476   1.102
  179    H    HIS  21           H        HIS  21   7.766  11.714  -0.960
  180    HA   HIS  21           HA       HIS  21  10.528  12.697  -0.849
  181   1HB   HIS  21          1HB       HIS  21   9.482   9.866  -0.623
  182   2HB   HIS  21          2HB       HIS  21  11.159  10.364  -0.418
  183    HD1  HIS  21           HD1      HIS  21  11.135  12.574   1.510
  184    HD2  HIS  21           HD2      HIS  21   8.412   9.442   1.819
  185    HE1  HIS  21           HE1      HIS  21  10.335  12.601   3.890
  186    HE2  HIS  21           HE2      HIS  21   8.467  10.912   3.946
  187    H    GLN  22           H        GLN  22   8.617  12.763  -3.178
  188    HA   GLN  22           HA       GLN  22   8.809  12.773  -5.430
  189   1HB   GLN  22          1HB       GLN  22  11.715  12.155  -4.907
  190   2HB   GLN  22          2HB       GLN  22  11.043  12.773  -6.410
  191   1HG   GLN  22          1HG       GLN  22  10.269  14.777  -5.131
  192   2HG   GLN  22          2HG       GLN  22  11.189  14.173  -3.756
  193   1HE2  GLN  22          1HE2      GLN  22  11.491  16.621  -5.232
  194   2HE2  GLN  22          2HE2      GLN  22  13.101  16.636  -5.872
  195    H    HIS  23           H        HIS  23   8.330  10.188  -3.983
  196    HA   HIS  23           HA       HIS  23   9.473   8.267  -5.858
  197   1HB   HIS  23          1HB       HIS  23   8.385   8.109  -3.144
  198   2HB   HIS  23          2HB       HIS  23   7.871   6.791  -4.194
  199    HD1  HIS  23           HD1      HIS  23   9.541   4.987  -4.691
  200    HD2  HIS  23           HD2      HIS  23  11.258   8.295  -2.844
  201    HE1  HIS  23           HE1      HIS  23  11.895   4.304  -4.124
  202    HE2  HIS  23           HE2      HIS  23  12.969   6.380  -3.188
  203    H    TRP  24           H        TRP  24   7.217  10.287  -6.355
  204    HA   TRP  24           HA       TRP  24   5.231   8.414  -7.406
  205   1HB   TRP  24          1HB       TRP  24   4.577  10.602  -6.255
  206   2HB   TRP  24          2HB       TRP  24   5.216  11.429  -7.672
  207    HD1  TRP  24           HD1      TRP  24   3.436  11.982  -9.415
  208    HE1  TRP  24           HE1      TRP  24   1.143  11.024 -10.092
  209    HE3  TRP  24           HE3      TRP  24   3.231   8.019  -6.187
  210    HZ2  TRP  24           HZ2      TRP  24  -0.527   8.870  -9.350
  211    HZ3  TRP  24           HZ3      TRP  24   1.252   6.558  -6.238
  212    HH2  TRP  24           HH2      TRP  24  -0.586   6.977  -7.788
  213    H    ARG  25           H        ARG  25   8.148   9.211  -8.198
  214    HA   ARG  25           HA       ARG  25   7.664   9.477 -11.084
  215   1HB   ARG  25          1HB       ARG  25  10.082  10.144  -9.401
  216   2HB   ARG  25          2HB       ARG  25  10.100  10.133 -11.159
  217   1HG   ARG  25          1HG       ARG  25   8.522  11.920 -11.257
  218   2HG   ARG  25          2HG       ARG  25   8.249  11.836  -9.514
  219   1HD   ARG  25          1HD       ARG  25  10.436  12.637  -9.049
  220   2HD   ARG  25          2HD       ARG  25  10.929  12.453 -10.731
  221    HE   ARG  25           HE       ARG  25   9.390  14.284 -11.265
  222   1HH1  ARG  25          1HH1      ARG  25  10.318  13.898  -7.907
  223   2HH1  ARG  25          2HH1      ARG  25  10.092  15.578  -7.519
  224   1HH2  ARG  25          1HH2      ARG  25   9.149  16.495 -10.767
  225   2HH2  ARG  25          2HH2      ARG  25   9.449  17.059  -9.147
  226    H    ASN  26           H        ASN  26   7.827   7.638 -12.161
  227    HA   ASN  26           HA       ASN  26   9.351   5.419 -10.990
  228   1HB   ASN  26          1HB       ASN  26   7.488   5.300 -13.368
  229   2HB   ASN  26          2HB       ASN  26   8.065   3.959 -12.384
  230   1HD2  ASN  26          1HD2      ASN  26   7.170   3.614 -10.337
  231   2HD2  ASN  26          2HD2      ASN  26   5.658   4.339  -9.890
  232    H    ASP  27           H        ASP  27  11.223   4.773 -11.883
  233    HA   ASP  27           HA       ASP  27  12.302   6.322 -14.051
  234   1HB   ASP  27          1HB       ASP  27  13.704   5.567 -12.149
  235   2HB   ASP  27          2HB       ASP  27  13.499   3.901 -12.691
  236    H    GLU  28           H        GLU  28  11.495   5.973 -15.966
  237    HA   GLU  28           HA       GLU  28  10.981   5.017 -17.938
  238   1HB   GLU  28          1HB       GLU  28  12.762   2.777 -16.977
  239   2HB   GLU  28          2HB       GLU  28  12.173   2.965 -18.622
  240   1HG   GLU  28          1HG       GLU  28  13.308   5.252 -18.571
  241   2HG   GLU  28          2HG       GLU  28  14.134   4.663 -17.129
  242    HA   PRO  29           HA       PRO  29   7.653   2.406 -16.060
  243   1HB   PRO  29          1HB       PRO  29   5.901   4.264 -17.497
  244   2HB   PRO  29          2HB       PRO  29   5.895   3.823 -15.788
  245   1HG   PRO  29          1HG       PRO  29   6.665   6.266 -16.642
  246   2HG   PRO  29          2HG       PRO  29   7.371   5.491 -15.213
  247   1HD   PRO  29          1HD       PRO  29   8.475   5.712 -17.991
  248   2HD   PRO  29          2HD       PRO  29   9.305   5.886 -16.428
  249    H    GLN  30           H        GLN  30   8.284   0.767 -17.469
  250    HA   GLN  30           HA       GLN  30   7.400   0.967 -20.266
  251   1HB   GLN  30          1HB       GLN  30   9.306  -0.995 -18.976
  252   2HB   GLN  30          2HB       GLN  30   8.923  -0.914 -20.686
  253   1HG   GLN  30          1HG       GLN  30   9.995   1.226 -20.875
  254   2HG   GLN  30          2HG       GLN  30  10.265   1.285 -19.132
  255   1HE2  GLN  30          1HE2      GLN  30  12.482   1.441 -19.346
  256   2HE2  GLN  30          2HE2      GLN  30  13.466   0.112 -19.844
  257    HA   PRO  31           HA       PRO  31   4.343  -2.287 -19.537
  258   1HB   PRO  31          1HB       PRO  31   5.029  -3.156 -22.281
  259   2HB   PRO  31          2HB       PRO  31   3.461  -2.697 -21.611
  260   1HG   PRO  31          1HG       PRO  31   4.773  -1.099 -23.319
  261   2HG   PRO  31          2HG       PRO  31   3.810  -0.444 -21.982
  262   1HD   PRO  31          1HD       PRO  31   6.778  -0.730 -22.217
  263   2HD   PRO  31          2HD       PRO  31   5.825   0.582 -21.496
  264    H    HIS  32           H        HIS  32   7.560  -2.594 -20.695
  265    HA   HIS  32           HA       HIS  32   7.938  -5.372 -20.598
  266   1HB   HIS  32          1HB       HIS  32   9.484  -3.785 -21.704
  267   2HB   HIS  32          2HB       HIS  32   9.949  -3.155 -20.130
  268    HD1  HIS  32           HD1      HIS  32   9.980  -6.501 -21.939
  269    HD2  HIS  32           HD2      HIS  32  12.172  -4.336 -19.146
  270    HE1  HIS  32           HE1      HIS  32  12.020  -7.890 -21.451
  271    HE2  HIS  32           HE2      HIS  32  13.255  -6.634 -19.647
  272    H    GLN  33           H        GLN  33   7.682  -2.998 -18.095
  273    HA   GLN  33           HA       GLN  33   8.987  -4.354 -15.992
  274   1HB   GLN  33          1HB       GLN  33   6.634  -2.454 -15.984
  275   2HB   GLN  33          2HB       GLN  33   7.409  -3.041 -14.521
  276   1HG   GLN  33          1HG       GLN  33   9.452  -1.930 -15.079
  277   2HG   GLN  33          2HG       GLN  33   8.841  -1.511 -16.681
  278   1HE2  GLN  33          1HE2      GLN  33   9.813   0.191 -14.466
  279   2HE2  GLN  33          2HE2      GLN  33   8.524   1.295 -14.132
  280    H    PHE  34           H        PHE  34   5.746  -4.563 -17.337
  281    HA   PHE  34           HA       PHE  34   4.804  -6.320 -15.242
  282   1HB   PHE  34          1HB       PHE  34   3.457  -5.405 -17.790
  283   2HB   PHE  34          2HB       PHE  34   2.677  -6.275 -16.475
  284    HD1  PHE  34           HD1      PHE  34   2.202  -5.170 -14.361
  285    HD2  PHE  34           HD2      PHE  34   3.976  -3.064 -17.609
  286    HE1  PHE  34           HE1      PHE  34   1.651  -3.033 -13.274
  287    HE2  PHE  34           HE2      PHE  34   3.427  -0.924 -16.527
  288    HZ   PHE  34           HZ       PHE  34   2.265  -0.907 -14.355
  289    H    ASN  35           H        ASN  35   6.653  -6.773 -17.943
  290    HA   ASN  35           HA       ASN  35   5.490  -9.148 -19.014
  291   1HB   ASN  35          1HB       ASN  35   7.195  -7.614 -20.156
  292   2HB   ASN  35          2HB       ASN  35   8.414  -8.385 -19.150
  293   1HD2  ASN  35          1HD2      ASN  35   7.965  -8.312 -22.080
  294   2HD2  ASN  35          2HD2      ASN  35   7.939  -9.974 -22.579
  295    H    SER  36           H        SER  36   7.851  -8.450 -16.510
  296    HA   SER  36           HA       SER  36   8.150 -11.232 -15.812
  297   1HB   SER  36          1HB       SER  36   9.945  -9.573 -15.323
  298   2HB   SER  36          2HB       SER  36   8.856  -8.762 -14.196
  299    HG   SER  36           HG       SER  36  10.381 -10.356 -13.290
  300    H    THR  37           H        THR  37   6.397 -12.246 -15.094
  301    HA   THR  37           HA       THR  37   4.212 -10.753 -13.960
  302    HB   THR  37           HB       THR  37   3.841 -12.524 -15.633
  303    HG1  THR  37           HG1      THR  37   2.580 -13.570 -13.361
  304   1HG2  THR  37          1HG2      THR  37   4.700 -14.414 -13.437
  305   2HG2  THR  37          2HG2      THR  37   5.590 -14.082 -14.923
  306   3HG2  THR  37          3HG2      THR  37   4.019 -14.881 -14.996
  307    H    GLN  38           H        GLN  38   6.812 -11.231 -12.468
  308    HA   GLN  38           HA       GLN  38   6.242 -12.820 -10.196
  309   1HB   GLN  38          1HB       GLN  38   8.074 -10.424 -10.424
  310   2HB   GLN  38          2HB       GLN  38   8.069 -11.589  -9.107
  311   1HG   GLN  38          1HG       GLN  38   8.717 -13.349 -10.679
  312   2HG   GLN  38          2HG       GLN  38   8.752 -12.158 -11.981
  313   1HE2  GLN  38          1HE2      GLN  38  10.356 -13.375  -9.163
  314   2HE2  GLN  38          2HE2      GLN  38  11.813 -12.455  -9.346
  315    HA   PRO  39           HA       PRO  39   3.309 -10.497  -7.944
  316   1HB   PRO  39          1HB       PRO  39   4.906 -10.986  -5.502
  317   2HB   PRO  39          2HB       PRO  39   3.242 -11.444  -5.868
  318   1HG   PRO  39          1HG       PRO  39   5.198 -13.263  -5.834
  319   2HG   PRO  39          2HG       PRO  39   3.879 -13.353  -7.017
  320   1HD   PRO  39          1HD       PRO  39   6.693 -12.411  -7.378
  321   2HD   PRO  39          2HD       PRO  39   5.673 -13.365  -8.474
  322    H    PHE  40           H        PHE  40   6.665  -9.600  -7.716
  323    HA   PHE  40           HA       PHE  40   5.847  -6.908  -6.866
  324   1HB   PHE  40          1HB       PHE  40   8.169  -8.497  -5.762
  325   2HB   PHE  40          2HB       PHE  40   7.958  -6.770  -5.509
  326    HD1  PHE  40           HD2      PHE  40   6.742 -10.107  -4.658
  327    HD2  PHE  40           HD1      PHE  40   6.248  -5.929  -4.027
  328    HE1  PHE  40           HE2      PHE  40   5.359 -10.575  -2.680
  329    HE2  PHE  40           HE1      PHE  40   4.866  -6.388  -2.045
  330    HZ   PHE  40           HZ       PHE  40   4.422  -8.717  -1.371
  331    H    PHE  41           H        PHE  41   6.865  -8.399  -9.415
  332    HA   PHE  41           HA       PHE  41   8.292  -8.061 -11.176
  333   1HB   PHE  41          1HB       PHE  41   8.164  -5.188 -10.224
  334   2HB   PHE  41          2HB       PHE  41   8.556  -5.735 -11.851
  335    HD1  PHE  41           HD2      PHE  41   6.673  -7.350 -12.879
  336    HD2  PHE  41           HD1      PHE  41   6.045  -4.405  -9.876
  337    HE1  PHE  41           HE2      PHE  41   4.290  -7.254 -13.476
  338    HE2  PHE  41           HE1      PHE  41   3.658  -4.308 -10.463
  339    HZ   PHE  41           HZ       PHE  41   2.777  -5.732 -12.268
  340    H    MET  42           H        MET  42   9.675  -9.085  -9.176
  341    HA   MET  42           HA       MET  42  11.575  -7.461  -7.873
  342   1HB   MET  42          1HB       MET  42  11.726 -10.448  -8.265
  343   2HB   MET  42          2HB       MET  42  12.442  -9.501  -6.968
  344   1HG   MET  42          1HG       MET  42  10.350  -9.084  -5.977
  345   2HG   MET  42          2HG       MET  42   9.477  -9.644  -7.403
  346   1HE   MET  42          1HE       MET  42   8.671 -10.633  -4.518
  347   2HE   MET  42          2HE       MET  42   8.486 -12.365  -4.789
  348   3HE   MET  42          3HE       MET  42   7.902 -11.218  -5.993
  349    H    ASP  43           H        ASP  43  11.789  -9.433 -10.796
  350    HA   ASP  43           HA       ASP  43  14.674  -9.157 -10.896
  351   1HB   ASP  43          1HB       ASP  43  13.621 -11.268 -11.592
  352   2HB   ASP  43          2HB       ASP  43  12.774 -10.418 -12.880
  353    H    THR  44           H        THR  44  11.861  -7.861 -12.575
  354    HA   THR  44           HA       THR  44  13.235  -6.686 -14.730
  355    HB   THR  44           HB       THR  44  11.021  -5.097 -14.388
  356    HG1  THR  44           HG1      THR  44   9.409  -6.375 -13.539
  357   1HG2  THR  44          1HG2      THR  44  11.160  -7.817 -15.696
  358   2HG2  THR  44          2HG2      THR  44  11.673  -6.295 -16.426
  359   3HG2  THR  44          3HG2      THR  44   9.971  -6.560 -16.046
  360    H    MET  45           H        MET  45  12.082  -5.291 -11.666
  361    HA   MET  45           HA       MET  45  14.263  -3.370 -11.727
  362   1HB   MET  45          1HB       MET  45  11.356  -2.536 -11.656
  363   2HB   MET  45          2HB       MET  45  12.677  -1.483 -11.172
  364   1HG   MET  45          1HG       MET  45  13.624  -1.667 -13.430
  365   2HG   MET  45          2HG       MET  45  12.253  -2.669 -13.903
  366   1HE   MET  45          1HE       MET  45  12.152   0.444 -11.486
  367   2HE   MET  45          2HE       MET  45  11.884   1.751 -12.638
  368   3HE   MET  45          3HE       MET  45  13.401   0.855 -12.660
  369    H    GLU  46           H        GLU  46  13.588  -1.822  -9.573
  370    HA   GLU  46           HA       GLU  46  13.928  -3.551  -7.368
  371   1HB   GLU  46          1HB       GLU  46  13.088  -0.650  -7.511
  372   2HB   GLU  46          2HB       GLU  46  13.328  -1.497  -5.991
  373   1HG   GLU  46          1HG       GLU  46  15.292  -0.255  -6.436
  374   2HG   GLU  46          2HG       GLU  46  15.675  -1.955  -6.704
  375    HA   PRO  47           HA       PRO  47   9.771  -4.971  -6.651
  376   1HB   PRO  47          1HB       PRO  47  10.566  -4.978  -3.794
  377   2HB   PRO  47          2HB       PRO  47   9.946  -6.297  -4.792
  378   1HG   PRO  47          1HG       PRO  47  12.518  -6.213  -4.092
  379   2HG   PRO  47          2HG       PRO  47  12.030  -6.759  -5.707
  380   1HD   PRO  47          1HD       PRO  47  13.167  -4.121  -4.860
  381   2HD   PRO  47          2HD       PRO  47  13.508  -5.081  -6.315
  382    H    LEU  48           H        LEU  48  11.116  -2.128  -5.417
  383    HA   LEU  48           HA       LEU  48   8.951  -1.162  -3.848
  384   1HB   LEU  48          1HB       LEU  48  11.004   0.453  -5.360
  385   2HB   LEU  48          2HB       LEU  48  10.059   0.978  -3.982
  386    HG   LEU  48           HG       LEU  48  12.198  -1.152  -3.926
  387   1HD1  LEU  48          1HD1      LEU  48  12.208   1.668  -2.863
  388   2HD1  LEU  48          2HD1      LEU  48  13.094   1.092  -4.274
  389   3HD1  LEU  48          3HD1      LEU  48  13.495   0.477  -2.672
  390   1HD2  LEU  48          1HD2      LEU  48  10.620   0.099  -1.680
  391   2HD2  LEU  48          2HD2      LEU  48  11.921  -1.079  -1.511
  392   3HD2  LEU  48          3HD2      LEU  48  10.412  -1.541  -2.294
  393    H    GLU  49           H        GLU  49   9.588  -1.400  -7.223
  394    HA   GLU  49           HA       GLU  49   7.945   0.753  -8.122
  395   1HB   GLU  49          1HB       GLU  49   9.883  -0.462  -9.336
  396   2HB   GLU  49          2HB       GLU  49   8.674  -1.664  -9.762
  397   1HG   GLU  49          1HG       GLU  49   8.855  -0.181 -11.589
  398   2HG   GLU  49          2HG       GLU  49   7.328   0.179 -10.783
  399    H    TRP  50           H        TRP  50   7.193  -2.172  -6.733
  400    HA   TRP  50           HA       TRP  50   4.673  -2.506  -8.148
  401   1HB   TRP  50          1HB       TRP  50   5.971  -4.502  -7.459
  402   2HB   TRP  50          2HB       TRP  50   5.781  -4.023  -5.775
  403    HD1  TRP  50           HD1      TRP  50   3.716  -5.324  -8.750
  404    HE1  TRP  50           HE1      TRP  50   1.575  -6.415  -7.836
  405    HE3  TRP  50           HE3      TRP  50   4.215  -4.077  -3.820
  406    HZ2  TRP  50           HZ2      TRP  50   0.265  -6.704  -5.349
  407    HZ3  TRP  50           HZ3      TRP  50   2.476  -4.797  -2.241
  408    HH2  TRP  50           HH2      TRP  50   0.539  -6.076  -2.989
  409    H    LEU  51           H        LEU  51   5.876  -1.676  -4.927
  410    HA   LEU  51           HA       LEU  51   3.455  -1.181  -3.638
  411   1HB   LEU  51          1HB       LEU  51   5.604  -1.269  -2.474
  412   2HB   LEU  51          2HB       LEU  51   6.129   0.187  -3.298
  413    HG   LEU  51           HG       LEU  51   4.354   1.460  -2.138
  414   1HD1  LEU  51          1HD1      LEU  51   2.771  -0.352  -1.782
  415   2HD1  LEU  51          2HD1      LEU  51   3.185   0.427  -0.254
  416   3HD1  LEU  51          3HD1      LEU  51   3.896  -1.134  -0.670
  417   1HD2  LEU  51          1HD2      LEU  51   6.600   1.406  -1.216
  418   2HD2  LEU  51          2HD2      LEU  51   6.228  -0.084  -0.348
  419   3HD2  LEU  51          3HD2      LEU  51   5.406   1.417   0.082
  420    H    GLN  52           H        GLN  52   5.609   1.113  -5.277
  421    HA   GLN  52           HA       GLN  52   3.525   3.125  -5.380
  422   1HB   GLN  52          1HB       GLN  52   5.226   4.495  -6.509
  423   2HB   GLN  52          2HB       GLN  52   5.861   3.805  -5.021
  424   1HG   GLN  52          1HG       GLN  52   6.837   1.965  -6.480
  425   2HG   GLN  52          2HG       GLN  52   6.457   3.006  -7.850
  426   1HE2  GLN  52          1HE2      GLN  52   8.596   3.250  -8.419
  427   2HE2  GLN  52          2HE2      GLN  52   9.701   4.213  -7.484
  428    H    TRP  53           H        TRP  53   2.676   3.938  -7.384
  429    HA   TRP  53           HA       TRP  53   1.990   3.918  -9.546
  430   1HB   TRP  53          1HB       TRP  53   4.261   3.662 -10.262
  431   2HB   TRP  53          2HB       TRP  53   4.251   1.947  -9.877
  432    HD1  TRP  53           HD1      TRP  53   3.674   0.345 -11.799
  433    HE1  TRP  53           HE1      TRP  53   2.809   0.614 -14.202
  434    HE3  TRP  53           HE3      TRP  53   2.567   5.341 -11.710
  435    HZ2  TRP  53           HZ2      TRP  53   1.789   2.664 -15.848
  436    HZ3  TRP  53           HZ3      TRP  53   1.650   6.374 -13.745
  437    HH2  TRP  53           HH2      TRP  53   1.270   5.064 -15.769
  438    H    VAL  54           H        VAL  54   2.650   0.570  -8.453
  439    HA   VAL  54           HA       VAL  54   0.399  -0.358 -10.055
  440    HB   VAL  54           HB       VAL  54   2.319  -1.960  -8.356
  441   1HG1  VAL  54          1HG1      VAL  54   0.218  -3.126  -8.746
  442   2HG1  VAL  54          2HG1      VAL  54   1.525  -3.875  -9.663
  443   3HG1  VAL  54          3HG1      VAL  54   0.360  -2.833 -10.480
  444   1HG2  VAL  54          1HG2      VAL  54   3.435  -2.510 -10.455
  445   2HG2  VAL  54          2HG2      VAL  54   3.463  -0.771 -10.162
  446   3HG2  VAL  54          3HG2      VAL  54   2.333  -1.452 -11.333
  447    H    LEU  55           H        LEU  55   1.429  -0.904  -6.669
  448    HA   LEU  55           HA       LEU  55  -0.785  -2.378  -5.927
  449   1HB   LEU  55          1HB       LEU  55   1.252  -2.301  -4.616
  450   2HB   LEU  55          2HB       LEU  55   0.946  -0.627  -4.196
  451    HG   LEU  55           HG       LEU  55  -1.053  -1.305  -2.934
  452   1HD1  LEU  55          1HD1      LEU  55  -1.643  -3.280  -4.225
  453   2HD1  LEU  55          2HD1      LEU  55  -1.501  -3.657  -2.508
  454   3HD1  LEU  55          3HD1      LEU  55  -0.209  -4.110  -3.620
  455   1HD2  LEU  55          1HD2      LEU  55   0.088  -2.403  -1.085
  456   2HD2  LEU  55          2HD2      LEU  55   1.096  -1.138  -1.787
  457   3HD2  LEU  55          3HD2      LEU  55   1.424  -2.829  -2.153
  458    H    ILE  56           H        ILE  56  -0.387   1.149  -5.646
  459    HA   ILE  56           HA       ILE  56  -2.575   1.594  -3.975
  460    HB   ILE  56           HB       ILE  56  -1.485   3.513  -6.034
  461   1HG1  ILE  56          1HG1      ILE  56  -0.764   3.115  -3.119
  462   2HG1  ILE  56          2HG1      ILE  56   0.247   2.680  -4.493
  463   1HG2  ILE  56          1HG2      ILE  56  -2.428   5.253  -4.596
  464   2HG2  ILE  56          2HG2      ILE  56  -3.103   4.016  -3.537
  465   3HG2  ILE  56          3HG2      ILE  56  -3.682   4.168  -5.195
  466   1HD1  ILE  56          1HD1      ILE  56   1.004   4.745  -3.504
  467   2HD1  ILE  56          2HD1      ILE  56  -0.597   5.458  -3.706
  468   3HD1  ILE  56          3HD1      ILE  56   0.371   5.047  -5.122
  469    HA   PRO  57           HA       PRO  57  -5.454   2.513  -7.730
  470   1HB   PRO  57          1HB       PRO  57  -4.583   1.798 -10.220
  471   2HB   PRO  57          2HB       PRO  57  -4.403   3.420  -9.544
  472   1HG   PRO  57          1HG       PRO  57  -2.404   1.201  -9.697
  473   2HG   PRO  57          2HG       PRO  57  -2.181   2.936  -9.993
  474   1HD   PRO  57          1HD       PRO  57  -1.429   1.769  -7.681
  475   2HD   PRO  57          2HD       PRO  57  -2.050   3.432  -7.742
  476    H    ARG  58           H        ARG  58  -3.358  -0.274  -7.748
  477    HA   ARG  58           HA       ARG  58  -5.119  -2.113  -8.978
  478   1HB   ARG  58          1HB       ARG  58  -2.625  -2.384  -8.514
  479   2HB   ARG  58          2HB       ARG  58  -3.076  -2.782  -6.863
  480   1HG   ARG  58          1HG       ARG  58  -4.363  -4.687  -7.656
  481   2HG   ARG  58          2HG       ARG  58  -3.952  -4.280  -9.324
  482   1HD   ARG  58          1HD       ARG  58  -1.528  -4.484  -8.636
  483   2HD   ARG  58          2HD       ARG  58  -2.108  -5.185  -7.126
  484    HE   ARG  58           HE       ARG  58  -3.083  -6.439  -9.560
  485   1HH1  ARG  58          1HH1      ARG  58  -0.728  -6.494  -6.965
  486   2HH1  ARG  58          2HH1      ARG  58  -0.259  -8.146  -7.247
  487   1HH2  ARG  58          1HH2      ARG  58  -2.441  -8.586  -9.963
  488   2HH2  ARG  58          2HH2      ARG  58  -1.205  -9.322  -8.987
  489    H    MET  59           H        MET  59  -4.527  -1.253  -5.577
  490    HA   MET  59           HA       MET  59  -6.502  -3.064  -4.585
  491   1HB   MET  59          1HB       MET  59  -4.988  -0.797  -3.313
  492   2HB   MET  59          2HB       MET  59  -6.233  -1.690  -2.447
  493   1HG   MET  59          1HG       MET  59  -3.691  -2.792  -3.613
  494   2HG   MET  59          2HG       MET  59  -4.089  -2.605  -1.905
  495   1HE   MET  59          1HE       MET  59  -3.040  -5.352  -3.215
  496   2HE   MET  59          2HE       MET  59  -4.097  -6.506  -2.404
  497   3HE   MET  59          3HE       MET  59  -3.406  -5.158  -1.501
  498    H    HIS  60           H        HIS  60  -6.577   0.220  -5.741
  499    HA   HIS  60           HA       HIS  60  -9.058   1.036  -4.712
  500   1HB   HIS  60          1HB       HIS  60  -7.553   1.682  -7.222
  501   2HB   HIS  60          2HB       HIS  60  -9.219   2.222  -7.062
  502    HD1  HIS  60           HD1      HIS  60  -9.719   3.990  -5.205
  503    HD2  HIS  60           HD2      HIS  60  -5.691   3.112  -5.742
  504    HE1  HIS  60           HE1      HIS  60  -8.460   5.840  -4.059
  505    HE2  HIS  60           HE2      HIS  60  -6.042   5.424  -4.624
  506    H    ASP  61           H        ASP  61  -8.232  -1.013  -7.461
  507    HA   ASP  61           HA       ASP  61 -10.873  -1.318  -8.461
  508   1HB   ASP  61          1HB       ASP  61  -8.858  -1.820  -9.806
  509   2HB   ASP  61          2HB       ASP  61  -8.509  -3.189  -8.753
  510    H    LEU  62           H        LEU  62  -8.904  -3.167  -6.190
  511    HA   LEU  62           HA       LEU  62 -10.671  -5.303  -5.761
  512   1HB   LEU  62          1HB       LEU  62  -8.317  -5.248  -4.995
  513   2HB   LEU  62          2HB       LEU  62  -8.750  -4.042  -3.801
  514    HG   LEU  62           HG       LEU  62 -10.341  -5.754  -2.819
  515   1HD1  LEU  62          1HD1      LEU  62 -10.472  -7.240  -4.747
  516   2HD1  LEU  62          2HD1      LEU  62  -9.884  -8.098  -3.323
  517   3HD1  LEU  62          3HD1      LEU  62  -8.756  -7.612  -4.587
  518   1HD2  LEU  62          1HD2      LEU  62  -8.209  -5.195  -1.785
  519   2HD2  LEU  62          2HD2      LEU  62  -7.391  -6.375  -2.810
  520   3HD2  LEU  62          3HD2      LEU  62  -8.563  -6.913  -1.608
  521    H    LEU  63           H        LEU  63 -10.294  -2.216  -4.077
  522    HA   LEU  63           HA       LEU  63 -12.350  -2.569  -2.197
  523   1HB   LEU  63          1HB       LEU  63 -11.263  -0.013  -3.384
  524   2HB   LEU  63          2HB       LEU  63 -12.236  -0.123  -1.928
  525    HG   LEU  63           HG       LEU  63  -9.519  -1.396  -2.254
  526   1HD1  LEU  63          1HD1      LEU  63  -8.707   0.386  -0.793
  527   2HD1  LEU  63          2HD1      LEU  63 -10.297   1.150  -0.847
  528   3HD1  LEU  63          3HD1      LEU  63  -9.328   1.025  -2.315
  529   1HD2  LEU  63          1HD2      LEU  63 -10.947  -2.530  -0.641
  530   2HD2  LEU  63          2HD2      LEU  63 -11.265  -0.996   0.170
  531   3HD2  LEU  63          3HD2      LEU  63  -9.636  -1.673   0.170
  532    H    ASP  64           H        ASP  64 -12.399  -1.417  -5.521
  533    HA   ASP  64           HA       ASP  64 -15.050  -0.459  -5.576
  534   1HB   ASP  64          1HB       ASP  64 -13.235  -1.564  -7.704
  535   2HB   ASP  64          2HB       ASP  64 -14.911  -1.170  -8.072
  536    H    ASN  65           H        ASN  65 -13.722  -3.647  -5.608
  537    HA   ASN  65           HA       ASN  65 -16.272  -4.875  -6.336
  538   1HB   ASN  65          1HB       ASN  65 -13.523  -6.000  -5.801
  539   2HB   ASN  65          2HB       ASN  65 -14.935  -7.024  -6.011
  540   1HD2  ASN  65          1HD2      ASN  65 -14.325  -4.045  -7.785
  541   2HD2  ASN  65          2HD2      ASN  65 -14.109  -4.801  -9.321
  542    H    LYS  66           H        LYS  66 -15.181  -3.506  -3.678
  543    HA   LYS  66           HA       LYS  66 -15.442  -3.676  -1.445
  544   1HB   LYS  66          1HB       LYS  66 -17.491  -5.757  -2.214
  545   2HB   LYS  66          2HB       LYS  66 -17.214  -5.236  -0.557
  546   1HG   LYS  66          1HG       LYS  66 -17.769  -2.920  -1.252
  547   2HG   LYS  66          2HG       LYS  66 -18.186  -3.547  -2.849
  548   1HD   LYS  66          1HD       LYS  66 -19.909  -4.954  -1.877
  549   2HD   LYS  66          2HD       LYS  66 -19.460  -4.421  -0.255
  550   1HE   LYS  66          1HE       LYS  66 -21.403  -3.206  -0.916
  551   2HE   LYS  66          2HE       LYS  66 -20.036  -2.094  -0.941
  552   1HZ   LYS  66          1HZ       LYS  66 -21.310  -3.399  -3.285
  553   2HZ   LYS  66          2HZ       LYS  66 -19.896  -2.466  -3.368
  554   3HZ   LYS  66          3HZ       LYS  66 -21.357  -1.754  -2.886
  555    H    GLN  67           H        GLN  67 -16.071  -7.084  -2.033
  556    HA   GLN  67           HA       GLN  67 -14.937  -8.988  -1.609
  557   1HB   GLN  67          1HB       GLN  67 -12.590  -7.119  -1.843
  558   2HB   GLN  67          2HB       GLN  67 -12.398  -8.845  -1.559
  559   1HG   GLN  67          1HG       GLN  67 -13.852  -7.651  -3.908
  560   2HG   GLN  67          2HG       GLN  67 -12.175  -8.196  -3.929
  561   1HE2  GLN  67          1HE2      GLN  67 -14.527  -9.132  -5.435
  562   2HE2  GLN  67          2HE2      GLN  67 -14.643 -10.830  -5.106
  563    HA   PRO  68           HA       PRO  68 -14.536  -9.169   2.817
  564   1HB   PRO  68          1HB       PRO  68 -13.398 -11.846   2.415
  565   2HB   PRO  68          2HB       PRO  68 -14.900 -11.379   3.215
  566   1HG   PRO  68          1HG       PRO  68 -14.884 -12.651   0.843
  567   2HG   PRO  68          2HG       PRO  68 -16.121 -11.449   1.263
  568   1HD   PRO  68          1HD       PRO  68 -13.686 -11.146  -0.459
  569   2HD   PRO  68          2HD       PRO  68 -15.331 -10.524  -0.713
  570    H    LEU  69           H        LEU  69 -12.079  -9.151   0.579
  571    HA   LEU  69           HA       LEU  69  -9.945  -8.417   0.652
  572   1HB   LEU  69          1HB       LEU  69 -10.418  -8.169   3.617
  573   2HB   LEU  69          2HB       LEU  69  -8.975  -7.614   2.793
  574    HG   LEU  69           HG       LEU  69 -11.770  -6.563   2.333
  575   1HD1  LEU  69          1HD1      LEU  69  -9.399  -5.326   3.727
  576   2HD1  LEU  69          2HD1      LEU  69 -10.865  -5.922   4.506
  577   3HD1  LEU  69          3HD1      LEU  69 -10.946  -4.536   3.417
  578   1HD2  LEU  69          1HD2      LEU  69 -10.683  -4.859   0.970
  579   2HD2  LEU  69          2HD2      LEU  69 -10.385  -6.469   0.317
  580   3HD2  LEU  69          3HD2      LEU  69  -9.122  -5.636   1.223
  581    HA   PRO  70           HA       PRO  70  -7.657 -12.160   1.437
  582   1HB   PRO  70          1HB       PRO  70  -5.177 -11.155   0.881
  583   2HB   PRO  70          2HB       PRO  70  -6.328 -11.653  -0.363
  584   1HG   PRO  70          1HG       PRO  70  -5.696  -8.914   0.649
  585   2HG   PRO  70          2HG       PRO  70  -6.001  -9.455  -1.011
  586   1HD   PRO  70          1HD       PRO  70  -7.873  -8.186   0.484
  587   2HD   PRO  70          2HD       PRO  70  -8.286  -9.399  -0.745
  588    H    GLY  71           H        GLY  71  -7.651 -12.609   3.560
  589   1HA   GLY  71          1HA       GLY  71  -7.015 -10.730   5.566
  590   2HA   GLY  71          2HA       GLY  71  -7.268 -12.448   5.810
  591    H    ALA  72           H        ALA  72  -4.908 -12.621   3.683
  592    HA   ALA  72           HA       ALA  72  -2.843 -12.396   5.769
  593   1HB   ALA  72          1HB       ALA  72  -2.988 -14.383   3.503
  594   2HB   ALA  72          2HB       ALA  72  -3.346 -14.715   5.197
  595   3HB   ALA  72          3HB       ALA  72  -1.706 -14.288   4.711
  596    H    PHE  73           H        PHE  73  -3.583 -10.310   3.901
  597    HA   PHE  73           HA       PHE  73  -1.358 -10.116   2.066
  598   1HB   PHE  73          1HB       PHE  73  -3.541  -9.089   1.530
  599   2HB   PHE  73          2HB       PHE  73  -3.379  -8.029   2.924
  600    HD1  PHE  73           HD2      PHE  73  -1.952  -8.858  -0.381
  601    HD2  PHE  73           HD1      PHE  73  -2.124  -6.039   2.803
  602    HE1  PHE  73           HE2      PHE  73  -0.784  -7.209  -1.782
  603    HE2  PHE  73           HE1      PHE  73  -0.957  -4.384   1.406
  604    HZ   PHE  73           HZ       PHE  73  -0.288  -4.965  -0.891
  605    H    ALA  74           H        ALA  74   0.621  -9.529   2.681
  606    HA   ALA  74           HA       ALA  74   0.984  -7.504   4.724
  607   1HB   ALA  74          1HB       ALA  74   2.460  -8.836   6.108
  608   2HB   ALA  74          2HB       ALA  74   2.233 -10.232   5.055
  609   3HB   ALA  74          3HB       ALA  74   0.880  -9.613   6.003
  610    H    VAL  75           H        VAL  75   2.095  -6.130   3.459
  611    HA   VAL  75           HA       VAL  75   4.275  -7.205   1.809
  612    HB   VAL  75           HB       VAL  75   4.349  -4.960   0.759
  613   1HG1  VAL  75          1HG1      VAL  75   1.667  -6.333   0.743
  614   2HG1  VAL  75          2HG1      VAL  75   3.060  -6.736  -0.262
  615   3HG1  VAL  75          3HG1      VAL  75   2.236  -5.191  -0.474
  616   1HG2  VAL  75          1HG2      VAL  75   2.485  -3.401   1.160
  617   2HG2  VAL  75          2HG2      VAL  75   3.497  -3.613   2.589
  618   3HG2  VAL  75          3HG2      VAL  75   1.931  -4.423   2.487
  619    H    ALA  76           H        ALA  76   3.712  -5.317   4.660
  620    HA   ALA  76           HA       ALA  76   5.990  -3.736   4.733
  621   1HB   ALA  76          1HB       ALA  76   5.682  -3.570   7.116
  622   2HB   ALA  76          2HB       ALA  76   4.659  -5.007   7.116
  623   3HB   ALA  76          3HB       ALA  76   4.115  -3.537   6.308
  624    HA   PRO  77           HA       PRO  77   8.339  -7.285   7.163
  625   1HB   PRO  77          1HB       PRO  77   7.523  -9.818   6.386
  626   2HB   PRO  77          2HB       PRO  77   7.076  -9.029   7.901
  627   1HG   PRO  77          1HG       PRO  77   5.544  -9.234   5.345
  628   2HG   PRO  77          2HG       PRO  77   4.965  -9.368   7.017
  629   1HD   PRO  77          1HD       PRO  77   4.586  -7.135   5.604
  630   2HD   PRO  77          2HD       PRO  77   4.978  -7.066   7.334
  631    H    TYR  78           H        TYR  78   7.070  -7.734   3.910
  632    HA   TYR  78           HA       TYR  78   9.430  -9.024   2.927
  633   1HB   TYR  78          1HB       TYR  78   7.274  -9.424   1.833
  634   2HB   TYR  78          2HB       TYR  78   7.156  -7.715   1.414
  635    HD1  TYR  78           HD2      TYR  78   9.368 -10.679   0.926
  636    HD2  TYR  78           HD1      TYR  78   7.960  -6.987  -0.652
  637    HE1  TYR  78           HE2      TYR  78  10.604 -11.105  -1.158
  638    HE2  TYR  78           HE1      TYR  78   9.196  -7.405  -2.741
  639    HH   TYR  78           HH       TYR  78  10.806 -10.462  -3.345
  640    H    TYR  79           H        TYR  79   8.137  -5.729   2.865
  641    HA   TYR  79           HA       TYR  79  10.261  -4.741   1.240
  642   1HB   TYR  79          1HB       TYR  79   8.037  -3.451   2.765
  643   2HB   TYR  79          2HB       TYR  79   9.352  -2.464   2.127
  644    HD1  TYR  79           HD1      TYR  79   9.790  -2.436  -0.318
  645    HD2  TYR  79           HD2      TYR  79   6.343  -4.313   1.317
  646    HE1  TYR  79           HE1      TYR  79   8.740  -2.425  -2.539
  647    HE2  TYR  79           HE2      TYR  79   5.282  -4.309  -0.902
  648    HH   TYR  79           HH       TYR  79   7.001  -3.663  -3.759
  649    H    GLU  80           H        GLU  80  10.043  -5.507   4.545
  650    HA   GLU  80           HA       GLU  80  12.142  -3.821   5.465
  651   1HB   GLU  80          1HB       GLU  80  11.201  -6.513   6.463
  652   2HB   GLU  80          2HB       GLU  80  12.371  -5.502   7.297
  653   1HG   GLU  80          1HG       GLU  80  10.661  -3.737   7.488
  654   2HG   GLU  80          2HG       GLU  80   9.497  -4.823   6.731
  655    H    MET  81           H        MET  81  12.027  -6.556   3.433
  656    HA   MET  81           HA       MET  81  14.930  -6.960   3.648
  657   1HB   MET  81          1HB       MET  81  12.891  -8.592   2.123
  658   2HB   MET  81          2HB       MET  81  14.595  -8.979   2.317
  659   1HG   MET  81          1HG       MET  81  14.240  -9.212   4.736
  660   2HG   MET  81          2HG       MET  81  12.522  -8.894   4.494
  661   1HE   MET  81          1HE       MET  81  10.967 -10.501   2.907
  662   2HE   MET  81          2HE       MET  81  11.612 -11.932   2.103
  663   3HE   MET  81          3HE       MET  81  12.189 -10.327   1.646
  664    H    ALA  82           H        ALA  82  12.330  -6.160   1.414
  665    HA   ALA  82           HA       ALA  82  13.842  -5.928  -0.931
  666   1HB   ALA  82          1HB       ALA  82  12.003  -4.591  -1.798
  667   2HB   ALA  82          2HB       ALA  82  11.369  -4.379  -0.167
  668   3HB   ALA  82          3HB       ALA  82  11.390  -5.981  -0.903
  669    H    LEU  83           H        LEU  83  13.291  -3.708   1.716
  670    HA   LEU  83           HA       LEU  83  15.146  -1.785   0.498
  671   1HB   LEU  83          1HB       LEU  83  13.146  -1.565   2.739
  672   2HB   LEU  83          2HB       LEU  83  14.404  -0.366   2.505
  673    HG   LEU  83           HG       LEU  83  12.389  -1.076   0.379
  674   1HD1  LEU  83          1HD1      LEU  83  12.333   1.217   2.337
  675   2HD1  LEU  83          2HD1      LEU  83  11.253  -0.176   2.356
  676   3HD1  LEU  83          3HD1      LEU  83  11.209   0.955   1.004
  677   1HD2  LEU  83          1HD2      LEU  83  13.112   1.031  -0.608
  678   2HD2  LEU  83          2HD2      LEU  83  14.475  -0.070  -0.411
  679   3HD2  LEU  83          3HD2      LEU  83  14.254   1.270   0.712
  680    H    ALA  84           H        ALA  84  16.948  -1.054   1.710
  681    HA   ALA  84           HA       ALA  84  18.270  -3.108   3.146
  682   1HB   ALA  84          1HB       ALA  84  20.078  -1.514   3.415
  683   2HB   ALA  84          2HB       ALA  84  19.016  -0.192   2.930
  684   3HB   ALA  84          3HB       ALA  84  19.450  -1.445   1.767
  685    H    THR  85           H        THR  85  19.111  -2.960   5.325
  686    HA   THR  85           HA       THR  85  17.104  -2.468   7.225
  687    HB   THR  85           HB       THR  85  19.055  -2.829   8.856
  688    HG1  THR  85           HG1      THR  85  20.701  -2.223   7.308
  689   1HG2  THR  85          1HG2      THR  85  19.162  -5.233   8.323
  690   2HG2  THR  85          2HG2      THR  85  18.433  -4.902   6.752
  691   3HG2  THR  85          3HG2      THR  85  17.516  -4.609   8.229
  692    H    ASP  86           H        ASP  86  19.480  -0.418   5.866
  693    HA   ASP  86           HA       ASP  86  19.543   1.478   8.037
  694   1HB   ASP  86          1HB       ASP  86  20.593   1.641   5.204
  695   2HB   ASP  86          2HB       ASP  86  20.939   2.782   6.489
  696    H    HIS  87           H        HIS  87  19.487   3.863   6.632
  697    HA   HIS  87           HA       HIS  87  18.139   5.488   5.801
  698   1HB   HIS  87          1HB       HIS  87  18.069   3.755   3.892
  699   2HB   HIS  87          2HB       HIS  87  16.472   3.339   4.497
  700    HD1  HIS  87           HD1      HIS  87  18.183   6.646   3.682
  701    HD2  HIS  87           HD2      HIS  87  14.652   4.575   2.950
  702    HE1  HIS  87           HE1      HIS  87  16.809   8.145   2.203
  703    HE2  HIS  87           HE2      HIS  87  14.835   6.732   1.534
  704    HA   PRO  88           HA       PRO  88  15.434   4.693   9.470
  705   1HB   PRO  88          1HB       PRO  88  15.649   7.664   9.478
  706   2HB   PRO  88          2HB       PRO  88  15.817   6.517  10.811
  707   1HG   PRO  88          1HG       PRO  88  17.966   7.659   9.761
  708   2HG   PRO  88          2HG       PRO  88  17.991   5.946  10.222
  709   1HD   PRO  88          1HD       PRO  88  17.746   7.180   7.506
  710   2HD   PRO  88          2HD       PRO  88  18.651   5.737   8.012
  711    H    GLN  89           H        GLN  89  15.009   6.872   6.761
  712    HA   GLN  89           HA       GLN  89  12.347   7.640   7.195
  713   1HB   GLN  89          1HB       GLN  89  13.778   7.223   4.563
  714   2HB   GLN  89          2HB       GLN  89  12.282   8.118   4.781
  715   1HG   GLN  89          1HG       GLN  89  13.457   9.731   6.197
  716   2HG   GLN  89          2HG       GLN  89  14.958   8.838   5.952
  717   1HE2  GLN  89          1HE2      GLN  89  14.319  11.595   5.274
  718   2HE2  GLN  89          2HE2      GLN  89  14.549  11.739   3.561
  719    H    ARG  90           H        ARG  90  13.706   4.633   6.277
  720    HA   ARG  90           HA       ARG  90  11.583   3.498   4.813
  721   1HB   ARG  90          1HB       ARG  90  13.857   2.541   4.935
  722   2HB   ARG  90          2HB       ARG  90  13.591   2.140   6.625
  723   1HG   ARG  90          1HG       ARG  90  11.672   0.702   5.875
  724   2HG   ARG  90          2HG       ARG  90  12.223   0.969   4.219
  725   1HD   ARG  90          1HD       ARG  90  13.106  -1.126   5.068
  726   2HD   ARG  90          2HD       ARG  90  14.415   0.030   4.812
  727    HE   ARG  90           HE       ARG  90  13.838   0.408   7.402
  728   1HH1  ARG  90          1HH1      ARG  90  14.455  -2.494   5.550
  729   2HH1  ARG  90          2HH1      ARG  90  15.078  -3.380   6.900
  730   1HH2  ARG  90          1HH2      ARG  90  14.646  -0.743   9.190
  731   2HH2  ARG  90          2HH2      ARG  90  15.203  -2.382   8.981
  732    H    ALA  91           H        ALA  91  12.129   3.945   8.240
  733    HA   ALA  91           HA       ALA  91  10.304   2.076   9.258
  734   1HB   ALA  91          1HB       ALA  91  11.118   4.735  10.428
  735   2HB   ALA  91          2HB       ALA  91  11.956   3.200  10.657
  736   3HB   ALA  91          3HB       ALA  91  10.329   3.422  11.302
  737    H    LEU  92           H        LEU  92   9.862   5.399   8.158
  738    HA   LEU  92           HA       LEU  92   7.185   5.722   8.976
  739   1HB   LEU  92          1HB       LEU  92   8.629   6.965   6.629
  740   2HB   LEU  92          2HB       LEU  92   7.102   7.521   7.286
  741    HG   LEU  92           HG       LEU  92   9.740   7.531   8.756
  742   1HD1  LEU  92          1HD1      LEU  92   9.704   9.166   6.967
  743   2HD1  LEU  92          2HD1      LEU  92   9.584   9.968   8.533
  744   3HD1  LEU  92          3HD1      LEU  92   8.147   9.777   7.529
  745   1HD2  LEU  92          1HD2      LEU  92   8.547   8.820  10.449
  746   2HD2  LEU  92          2HD2      LEU  92   7.823   7.224  10.245
  747   3HD2  LEU  92          3HD2      LEU  92   7.046   8.642   9.540
  748    H    ILE  93           H        ILE  93   8.649   4.463   6.035
  749    HA   ILE  93           HA       ILE  93   6.213   4.054   4.628
  750    HB   ILE  93           HB       ILE  93   8.865   2.651   4.241
  751   1HG1  ILE  93          1HG1      ILE  93   7.770   5.126   2.885
  752   2HG1  ILE  93          2HG1      ILE  93   9.040   5.119   4.103
  753   1HG2  ILE  93          1HG2      ILE  93   7.058   1.474   3.148
  754   2HG2  ILE  93          2HG2      ILE  93   8.052   2.285   1.938
  755   3HG2  ILE  93          3HG2      ILE  93   6.495   2.969   2.401
  756   1HD1  ILE  93          1HD1      ILE  93   9.192   3.841   1.382
  757   2HD1  ILE  93          2HD1      ILE  93  10.467   3.824   2.603
  758   3HD1  ILE  93          3HD1      ILE  93   9.964   5.350   1.874
  759    H    LEU  94           H        LEU  94   8.335   1.939   6.538
  760    HA   LEU  94           HA       LEU  94   6.918  -0.445   6.195
  761   1HB   LEU  94          1HB       LEU  94   8.563   0.478   8.547
  762   2HB   LEU  94          2HB       LEU  94   7.995  -1.165   8.317
  763    HG   LEU  94           HG       LEU  94   9.931   0.317   6.537
  764   1HD1  LEU  94          1HD1      LEU  94  10.291  -1.981   8.452
  765   2HD1  LEU  94          2HD1      LEU  94  10.929  -0.346   8.632
  766   3HD1  LEU  94          3HD1      LEU  94  11.521  -1.387   7.335
  767   1HD2  LEU  94          1HD2      LEU  94  10.166  -1.832   5.365
  768   2HD2  LEU  94          2HD2      LEU  94   8.536  -1.175   5.219
  769   3HD2  LEU  94          3HD2      LEU  94   8.856  -2.498   6.341
  770    H    ALA  95           H        ALA  95   6.691   1.937   8.834
  771    HA   ALA  95           HA       ALA  95   4.682   0.668  10.299
  772   1HB   ALA  95          1HB       ALA  95   4.264   2.855  11.311
  773   2HB   ALA  95          2HB       ALA  95   5.209   3.627  10.037
  774   3HB   ALA  95          3HB       ALA  95   5.991   2.529  11.174
  775    H    GLU  96           H        GLU  96   4.491   2.847   7.551
  776    HA   GLU  96           HA       GLU  96   1.684   3.200   7.574
  777   1HB   GLU  96          1HB       GLU  96   3.478   4.565   6.343
  778   2HB   GLU  96          2HB       GLU  96   3.430   3.301   5.122
  779   1HG   GLU  96          1HG       GLU  96   2.051   5.236   4.539
  780   2HG   GLU  96          2HG       GLU  96   1.109   3.753   4.683
  781    H    LEU  97           H        LEU  97   3.837   0.897   5.972
  782    HA   LEU  97           HA       LEU  97   1.808  -0.447   4.513
  783   1HB   LEU  97          1HB       LEU  97   4.509  -1.447   5.418
  784   2HB   LEU  97          2HB       LEU  97   3.481  -2.242   4.242
  785    HG   LEU  97           HG       LEU  97   4.810   0.449   3.928
  786   1HD1  LEU  97          1HD1      LEU  97   6.046  -0.668   2.134
  787   2HD1  LEU  97          2HD1      LEU  97   5.256  -2.190   2.543
  788   3HD1  LEU  97          3HD1      LEU  97   6.340  -1.422   3.701
  789   1HD2  LEU  97          1HD2      LEU  97   3.012  -1.052   2.029
  790   2HD2  LEU  97          2HD2      LEU  97   3.894   0.429   1.662
  791   3HD2  LEU  97          3HD2      LEU  97   2.614   0.445   2.874
  792    H    GLU  98           H        GLU  98   3.368  -1.099   7.635
  793    HA   GLU  98           HA       GLU  98   2.050  -3.479   8.272
  794   1HB   GLU  98          1HB       GLU  98   2.896  -1.270  10.161
  795   2HB   GLU  98          2HB       GLU  98   2.522  -2.923  10.625
  796   1HG   GLU  98          1HG       GLU  98   4.433  -3.754   9.448
  797   2HG   GLU  98          2HG       GLU  98   4.749  -2.164   8.754
  798    H    LYS  99           H        LYS  99   0.979  -0.165   8.380
  799    HA   LYS  99           HA       LYS  99  -1.394  -0.579   9.889
  800   1HB   LYS  99          1HB       LYS  99  -0.417   1.656   9.553
  801   2HB   LYS  99          2HB       LYS  99  -0.738   1.541   7.829
  802   1HG   LYS  99          1HG       LYS  99  -3.191   1.276   8.483
  803   2HG   LYS  99          2HG       LYS  99  -2.695   1.839  10.079
  804   1HD   LYS  99          1HD       LYS  99  -2.275   3.313   7.479
  805   2HD   LYS  99          2HD       LYS  99  -3.523   3.670   8.672
  806   1HE   LYS  99          1HE       LYS  99  -1.888   4.310  10.294
  807   2HE   LYS  99          2HE       LYS  99  -0.571   3.737   9.270
  808   1HZ   LYS  99          1HZ       LYS  99  -1.056   5.448   7.678
  809   2HZ   LYS  99          2HZ       LYS  99  -0.845   6.162   9.203
  810   3HZ   LYS  99          3HZ       LYS  99  -2.405   5.964   8.570
  811    H    LEU 100           H        LEU 100  -0.687  -0.442   6.419
  812    HA   LEU 100           HA       LEU 100  -3.331  -0.851   5.525
  813   1HB   LEU 100          1HB       LEU 100  -1.548   0.091   4.124
  814   2HB   LEU 100          2HB       LEU 100  -0.712  -1.449   4.146
  815    HG   LEU 100           HG       LEU 100  -2.634  -2.472   2.954
  816   1HD1  LEU 100          1HD1      LEU 100  -3.614   0.375   2.769
  817   2HD1  LEU 100          2HD1      LEU 100  -4.369  -0.923   3.692
  818   3HD1  LEU 100          3HD1      LEU 100  -4.306  -1.014   1.933
  819   1HD2  LEU 100          1HD2      LEU 100  -0.681  -1.700   1.724
  820   2HD2  LEU 100          2HD2      LEU 100  -1.380  -0.086   1.602
  821   3HD2  LEU 100          3HD2      LEU 100  -2.152  -1.444   0.785
  822    H    ASP 101           H        ASP 101  -0.603  -3.088   5.954
  823    HA   ASP 101           HA       ASP 101  -1.828  -5.430   5.079
  824   1HB   ASP 101          1HB       ASP 101   0.210  -5.071   7.287
  825   2HB   ASP 101          2HB       ASP 101  -0.230  -6.620   6.583
  826    H    ALA 102           H        ALA 102  -1.884  -3.898   8.261
  827    HA   ALA 102           HA       ALA 102  -3.371  -5.944   9.548
  828   1HB   ALA 102          1HB       ALA 102  -3.112  -3.040  10.315
  829   2HB   ALA 102          2HB       ALA 102  -2.007  -4.331  10.786
  830   3HB   ALA 102          3HB       ALA 102  -3.676  -4.348  11.354
  831    H    LEU 103           H        LEU 103  -4.263  -3.356   7.460
  832    HA   LEU 103           HA       LEU 103  -7.014  -3.229   8.253
  833   1HB   LEU 103          1HB       LEU 103  -5.615  -2.300   5.745
  834   2HB   LEU 103          2HB       LEU 103  -7.316  -2.028   6.071
  835    HG   LEU 103           HG       LEU 103  -5.015  -0.943   7.694
  836   1HD1  LEU 103          1HD1      LEU 103  -5.736   1.227   6.832
  837   2HD1  LEU 103          2HD1      LEU 103  -6.942   0.425   5.827
  838   3HD1  LEU 103          3HD1      LEU 103  -5.225   0.147   5.537
  839   1HD2  LEU 103          1HD2      LEU 103  -6.733   0.335   8.887
  840   2HD2  LEU 103          2HD2      LEU 103  -6.944  -1.403   9.099
  841   3HD2  LEU 103          3HD2      LEU 103  -7.985  -0.518   7.986
  842    H    PHE 104           H        PHE 104  -5.136  -5.080   5.937
  843    HA   PHE 104           HA       PHE 104  -7.427  -6.263   4.692
  844   1HB   PHE 104          1HB       PHE 104  -4.489  -6.924   4.675
  845   2HB   PHE 104          2HB       PHE 104  -5.671  -7.968   3.888
  846    HD1  PHE 104           HD2      PHE 104  -4.161  -4.609   3.880
  847    HD2  PHE 104           HD1      PHE 104  -6.703  -7.339   1.838
  848    HE1  PHE 104           HE2      PHE 104  -4.137  -3.146   1.903
  849    HE2  PHE 104           HE1      PHE 104  -6.689  -5.879  -0.142
  850    HZ   PHE 104           HZ       PHE 104  -5.406  -3.778  -0.110
  851    H    ALA 105           H        ALA 105  -5.746  -6.780   7.601
  852    HA   ALA 105           HA       ALA 105  -7.037  -9.377   8.017
  853   1HB   ALA 105          1HB       ALA 105  -5.051  -7.896   9.744
  854   2HB   ALA 105          2HB       ALA 105  -4.670  -9.204   8.624
  855   3HB   ALA 105          3HB       ALA 105  -5.673  -9.519  10.041
  856    H    ASP 106           H        ASP 106  -8.135  -6.466   8.011
  857    HA   ASP 106           HA       ASP 106  -9.701  -6.762  10.480
  858   1HB   ASP 106          1HB       ASP 106  -8.246  -5.015  11.072
  859   2HB   ASP 106          2HB       ASP 106  -8.313  -4.297   9.465
  860    H    ASP 107           H        ASP 107 -11.728  -7.079   9.946
  861    HA   ASP 107           HA       ASP 107 -13.192  -5.057   8.625
  862   1HB   ASP 107          1HB       ASP 107 -12.216  -6.410   6.672
  863   2HB   ASP 107          2HB       ASP 107 -13.269  -7.720   7.197
  864    H    ALA 108           H        ALA 108 -15.516  -6.534   8.049
  865    HA   ALA 108           HA       ALA 108 -16.435  -6.946  10.743
  866   1HB   ALA 108          1HB       ALA 108 -18.633  -7.199   9.735
  867   2HB   ALA 108          2HB       ALA 108 -17.905  -7.256   8.129
  868   3HB   ALA 108          3HB       ALA 108 -17.813  -5.778   9.086
  869    H    SER 109           H        SER 109 -17.108  -8.828  11.681
  870    HA   SER 109           HA       SER 109 -16.284 -11.290  10.318
  871   1HB   SER 109          1HB       SER 109 -16.910 -10.809  13.240
  872   2HB   SER 109          2HB       SER 109 -16.298 -12.310  12.549
  873    HG   SER 109           HG       SER 109 -14.679 -10.915  13.507
  874    H    LEU 110           H        LEU 110 -17.690 -12.839   9.782
  875    HA   LEU 110           HA       LEU 110 -20.494 -12.190   9.824
  876   1HB   LEU 110          1HB       LEU 110 -19.428 -13.206   7.861
  877   2HB   LEU 110          2HB       LEU 110 -19.041 -14.634   8.801
  878    HG   LEU 110           HG       LEU 110 -21.486 -15.039   9.094
  879   1HD1  LEU 110          1HD1      LEU 110 -23.053 -13.868   7.638
  880   2HD1  LEU 110          2HD1      LEU 110 -21.756 -12.813   7.078
  881   3HD1  LEU 110          3HD1      LEU 110 -22.274 -12.756   8.762
  882   1HD2  LEU 110          1HD2      LEU 110 -20.524 -14.880   6.239
  883   2HD2  LEU 110          2HD2      LEU 110 -21.840 -15.890   6.841
  884   3HD2  LEU 110          3HD2      LEU 110 -20.185 -16.189   7.370
  885    H    GLU 111           H        GLU 111 -22.066 -13.036  11.066
  886    HA   GLU 111           HA       GLU 111 -21.365 -14.766  13.276
  887   1HB   GLU 111          1HB       GLU 111 -22.986 -12.944  13.588
  888   2HB   GLU 111          2HB       GLU 111 -24.044 -13.664  12.384
  889   1HG   GLU 111          1HG       GLU 111 -24.237 -15.666  13.840
  890   2HG   GLU 111          2HG       GLU 111 -23.306 -14.808  15.066
  891    H    HIS 112           H        HIS 112 -22.226 -16.858  13.623
  892    HA   HIS 112           HA       HIS 112 -23.311 -18.177  11.218
  893   1HB   HIS 112          1HB       HIS 112 -21.241 -19.359  13.088
  894   2HB   HIS 112          2HB       HIS 112 -21.930 -20.139  11.669
  895    HD1  HIS 112           HD1      HIS 112 -19.285 -17.805  12.750
  896    HD2  HIS 112           HD2      HIS 112 -21.011 -19.047   9.173
  897    HE1  HIS 112           HE1      HIS 112 -17.695 -17.083  10.937
  898    HE2  HIS 112           HE2      HIS 112 -18.666 -18.009   8.807
  899    H    HIS 113           H        HIS 113 -25.205 -19.118  11.646
  900    HA   HIS 113           HA       HIS 113 -26.188 -19.331  14.328
  901   1HB   HIS 113          1HB       HIS 113 -27.334 -20.502  11.780
  902   2HB   HIS 113          2HB       HIS 113 -28.179 -20.350  13.316
  903    HD1  HIS 113           HD1      HIS 113 -28.103 -17.618  14.163
  904    HD2  HIS 113           HD2      HIS 113 -28.064 -18.528  10.102
  905    HE1  HIS 113           HE1      HIS 113 -28.874 -15.532  12.989
  906    HE2  HIS 113           HE2      HIS 113 -29.009 -16.162  10.550
  907    H    HIS 114           H        HIS 114 -25.831 -21.839  11.831
  908    HA   HIS 114           HA       HIS 114 -24.886 -23.673  13.934
  909   1HB   HIS 114          1HB       HIS 114 -26.305 -24.303  11.330
  910   2HB   HIS 114          2HB       HIS 114 -25.588 -25.516  12.386
  911    HD1  HIS 114           HD1      HIS 114 -26.735 -25.850  14.745
  912    HD2  HIS 114           HD2      HIS 114 -28.791 -23.389  12.095
  913    HE1  HIS 114           HE1      HIS 114 -29.056 -25.631  15.682
  914    HE2  HIS 114           HE2      HIS 114 -30.192 -23.934  14.201
  915    H    HIS 115           H        HIS 115 -22.842 -24.298  13.786
  916    HA   HIS 115           HA       HIS 115 -21.231 -23.183  11.703
  917   1HB   HIS 115          1HB       HIS 115 -20.566 -24.937  14.064
  918   2HB   HIS 115          2HB       HIS 115 -19.353 -24.414  12.899
  919    HD1  HIS 115           HD1      HIS 115 -18.131 -22.393  13.632
  920    HD2  HIS 115           HD2      HIS 115 -22.017 -22.473  15.114
  921    HE1  HIS 115           HE1      HIS 115 -18.366 -20.325  15.040
  922    HE2  HIS 115           HE2      HIS 115 -20.655 -20.496  16.079
  923    H    HIS 116           H        HIS 116 -22.805 -26.197  12.194
  924    HA   HIS 116           HA       HIS 116 -21.378 -27.441   9.987
  925   1HB   HIS 116          1HB       HIS 116 -23.757 -28.330  11.625
  926   2HB   HIS 116          2HB       HIS 116 -23.176 -29.225  10.227
  927    HD1  HIS 116           HD1      HIS 116 -20.233 -29.372  10.615
  928    HD2  HIS 116           HD2      HIS 116 -22.906 -29.682  13.786
  929    HE1  HIS 116           HE1      HIS 116 -18.991 -30.595  12.432
  930    HE2  HIS 116           HE2      HIS 116 -20.670 -30.883  14.296
  931    H    HIS 117           H        HIS 117 -21.763 -25.908   8.378
  932    HA   HIS 117           HA       HIS 117 -24.425 -26.036   7.191
  933   1HB   HIS 117          1HB       HIS 117 -24.319 -23.985   8.617
  934   2HB   HIS 117          2HB       HIS 117 -22.962 -23.425   7.648
  935    HD1  HIS 117           HD1      HIS 117 -26.661 -23.976   7.510
  936    HD2  HIS 117           HD2      HIS 117 -23.641 -22.333   5.175
  937    HE1  HIS 117           HE1      HIS 117 -27.833 -22.716   5.676
  938    HE2  HIS 117           HE2      HIS 117 -25.986 -21.902   4.167
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1 -19.723  -0.761   9.806
    2   2H    MET   1          2H        MET   1 -19.870  -1.308   8.205
    3   3H    MET   1          3H        MET   1 -18.910   0.043   8.556
    4    HA   MET   1           HA       MET   1 -17.354  -1.273   9.767
    5   1HB   MET   1          1HB       MET   1 -17.596  -3.708   9.910
    6   2HB   MET   1          2HB       MET   1 -18.941  -2.893  10.692
    7   1HG   MET   1          1HG       MET   1 -20.305  -3.290   8.673
    8   2HG   MET   1          2HG       MET   1 -18.959  -4.193   7.980
    9   1HE   MET   1          1HE       MET   1 -18.070  -6.498   8.931
   10   2HE   MET   1          2HE       MET   1 -18.675  -7.241  10.413
   11   3HE   MET   1          3HE       MET   1 -17.791  -5.716  10.486
   12    H    THR   2           H        THR   2 -18.043  -0.357   6.978
   13    HA   THR   2           HA       THR   2 -17.051  -2.325   5.179
   14    HB   THR   2           HB       THR   2 -16.806  -0.250   3.645
   15    HG1  THR   2           HG1      THR   2 -18.019   1.553   4.376
   16   1HG2  THR   2          1HG2      THR   2 -18.630  -1.865   3.483
   17   2HG2  THR   2          2HG2      THR   2 -19.224  -0.222   3.232
   18   3HG2  THR   2          3HG2      THR   2 -19.493  -1.031   4.776
   19    H    THR   3           H        THR   3 -15.037  -2.775   4.565
   20    HA   THR   3           HA       THR   3 -12.871  -1.386   5.942
   21    HB   THR   3           HB       THR   3 -12.793  -3.962   4.358
   22    HG1  THR   3           HG1      THR   3 -12.488  -4.392   6.955
   23   1HG2  THR   3          1HG2      THR   3 -10.612  -2.877   4.566
   24   2HG2  THR   3          2HG2      THR   3 -10.680  -4.352   5.533
   25   3HG2  THR   3          3HG2      THR   3 -10.819  -2.777   6.315
   26    H    HIS   4           H        HIS   4 -14.081  -2.033   2.712
   27    HA   HIS   4           HA       HIS   4 -11.848  -1.572   1.154
   28   1HB   HIS   4          1HB       HIS   4 -14.737  -0.900   0.625
   29   2HB   HIS   4          2HB       HIS   4 -13.478  -0.684  -0.583
   30    HD1  HIS   4           HD1      HIS   4 -16.027  -2.914   0.060
   31    HD2  HIS   4           HD2      HIS   4 -11.955  -3.438  -0.630
   32    HE1  HIS   4           HE1      HIS   4 -15.771  -5.286  -0.747
   33    HE2  HIS   4           HE2      HIS   4 -13.337  -5.499  -1.368
   34    H    ASP   5           H        ASP   5 -14.191   0.874   2.258
   35    HA   ASP   5           HA       ASP   5 -12.993   3.100   1.081
   36   1HB   ASP   5          1HB       ASP   5 -14.625   2.897   3.617
   37   2HB   ASP   5          2HB       ASP   5 -14.186   4.419   2.848
   38    H    ARG   6           H        ARG   6 -12.422   1.602   4.220
   39    HA   ARG   6           HA       ARG   6 -10.719   3.594   5.249
   40   1HB   ARG   6          1HB       ARG   6 -10.793   0.643   5.907
   41   2HB   ARG   6          2HB       ARG   6 -10.027   1.892   6.880
   42   1HG   ARG   6          1HG       ARG   6 -12.225   2.954   7.205
   43   2HG   ARG   6          2HG       ARG   6 -12.969   1.641   6.287
   44   1HD   ARG   6          1HD       ARG   6 -12.086   0.034   7.940
   45   2HD   ARG   6          2HD       ARG   6 -11.439   1.383   8.873
   46    HE   ARG   6           HE       ARG   6 -14.303   1.382   8.319
   47   1HH1  ARG   6          1HH1      ARG   6 -11.699   0.895  10.597
   48   2HH1  ARG   6          2HH1      ARG   6 -12.738   0.880  11.984
   49   1HH2  ARG   6          1HH2      ARG   6 -15.688   1.383  10.167
   50   2HH2  ARG   6          2HH2      ARG   6 -14.992   1.122  11.742
   51    H    VAL   7           H        VAL   7 -10.074   0.622   3.437
   52    HA   VAL   7           HA       VAL   7  -7.254   0.800   3.525
   53    HB   VAL   7           HB       VAL   7  -8.958  -0.505   1.390
   54   1HG1  VAL   7          1HG1      VAL   7  -6.652  -0.213   0.681
   55   2HG1  VAL   7          2HG1      VAL   7  -6.985  -1.913   0.999
   56   3HG1  VAL   7          3HG1      VAL   7  -6.081  -0.959   2.173
   57   1HG2  VAL   7          1HG2      VAL   7  -7.807  -1.668   3.922
   58   2HG2  VAL   7          2HG2      VAL   7  -8.656  -2.570   2.667
   59   3HG2  VAL   7          3HG2      VAL   7  -9.512  -1.349   3.609
   60    H    ARG   8           H        ARG   8  -9.667   2.035   1.254
   61    HA   ARG   8           HA       ARG   8  -7.940   3.061  -0.693
   62   1HB   ARG   8          1HB       ARG   8 -10.258   2.966  -1.200
   63   2HB   ARG   8          2HB       ARG   8 -10.684   3.919   0.214
   64   1HG   ARG   8          1HG       ARG   8  -9.708   5.893  -0.767
   65   2HG   ARG   8          2HG       ARG   8  -9.134   4.959  -2.148
   66   1HD   ARG   8          1HD       ARG   8 -11.306   4.627  -2.969
   67   2HD   ARG   8          2HD       ARG   8 -12.047   5.088  -1.434
   68    HE   ARG   8           HE       ARG   8 -11.401   7.376  -1.900
   69   1HH1  ARG   8          1HH1      ARG   8 -11.250   5.158  -4.616
   70   2HH1  ARG   8          2HH1      ARG   8 -11.397   6.418  -5.803
   71   1HH2  ARG   8          1HH2      ARG   8 -11.546   9.017  -3.447
   72   2HH2  ARG   8          2HH2      ARG   8 -11.517   8.616  -5.142
   73    H    LEU   9           H        LEU   9  -9.186   4.549   2.274
   74    HA   LEU   9           HA       LEU   9  -7.993   7.067   1.947
   75   1HB   LEU   9          1HB       LEU   9  -8.597   5.568   4.496
   76   2HB   LEU   9          2HB       LEU   9  -8.222   7.277   4.398
   77    HG   LEU   9           HG       LEU   9 -10.635   5.958   3.149
   78   1HD1  LEU   9          1HD1      LEU   9 -11.898   7.110   4.893
   79   2HD1  LEU   9          2HD1      LEU   9 -10.391   7.686   5.607
   80   3HD1  LEU   9          3HD1      LEU   9 -10.753   5.959   5.581
   81   1HD2  LEU   9          1HD2      LEU   9  -9.905   8.873   3.423
   82   2HD2  LEU   9          2HD2      LEU   9 -11.395   8.230   2.732
   83   3HD2  LEU   9          3HD2      LEU   9  -9.853   7.937   1.929
   84    H    GLN  10           H        GLN  10  -6.780   4.065   3.330
   85    HA   GLN  10           HA       GLN  10  -4.338   5.190   4.269
   86   1HB   GLN  10          1HB       GLN  10  -5.073   2.313   3.718
   87   2HB   GLN  10          2HB       GLN  10  -3.620   2.841   4.559
   88   1HG   GLN  10          1HG       GLN  10  -6.464   3.237   5.457
   89   2HG   GLN  10          2HG       GLN  10  -5.281   2.130   6.149
   90   1HE2  GLN  10          1HE2      GLN  10  -3.101   4.066   5.907
   91   2HE2  GLN  10          2HE2      GLN  10  -3.352   5.221   7.163
   92    H    LEU  11           H        LEU  11  -5.346   3.643   1.270
   93    HA   LEU  11           HA       LEU  11  -2.817   3.466   0.061
   94   1HB   LEU  11          1HB       LEU  11  -5.526   3.985  -1.153
   95   2HB   LEU  11          2HB       LEU  11  -4.078   3.710  -2.100
   96    HG   LEU  11           HG       LEU  11  -5.371   1.743  -0.216
   97   1HD1  LEU  11          1HD1      LEU  11  -5.806   0.489  -2.269
   98   2HD1  LEU  11          2HD1      LEU  11  -5.116   1.808  -3.215
   99   3HD1  LEU  11          3HD1      LEU  11  -6.594   2.067  -2.286
  100   1HD2  LEU  11          1HD2      LEU  11  -3.698   0.158  -1.046
  101   2HD2  LEU  11          2HD2      LEU  11  -2.941   1.506  -0.197
  102   3HD2  LEU  11          3HD2      LEU  11  -2.923   1.453  -1.959
  103    H    GLN  12           H        GLN  12  -5.170   6.092   0.204
  104    HA   GLN  12           HA       GLN  12  -3.725   7.957  -1.340
  105   1HB   GLN  12          1HB       GLN  12  -5.705   8.441   0.896
  106   2HB   GLN  12          2HB       GLN  12  -5.170   9.646  -0.267
  107   1HG   GLN  12          1HG       GLN  12  -6.224   8.495  -2.064
  108   2HG   GLN  12          2HG       GLN  12  -6.566   7.099  -1.042
  109   1HE2  GLN  12          1HE2      GLN  12  -8.391   8.748  -2.600
  110   2HE2  GLN  12          2HE2      GLN  12  -9.547   9.381  -1.472
  111    H    ALA  13           H        ALA  13  -3.453   6.917   1.965
  112    HA   ALA  13           HA       ALA  13  -1.832   9.042   2.913
  113   1HB   ALA  13          1HB       ALA  13  -1.257   7.558   4.745
  114   2HB   ALA  13          2HB       ALA  13  -1.911   6.179   3.861
  115   3HB   ALA  13          3HB       ALA  13  -2.986   7.466   4.407
  116    H    LEU  14           H        LEU  14  -0.971   5.753   1.783
  117    HA   LEU  14           HA       LEU  14   1.807   6.156   1.677
  118   1HB   LEU  14          1HB       LEU  14  -0.047   4.298   0.225
  119   2HB   LEU  14          2HB       LEU  14   1.644   4.371  -0.222
  120    HG   LEU  14           HG       LEU  14   1.393   2.527   1.234
  121   1HD1  LEU  14          1HD1      LEU  14   2.802   3.130   3.145
  122   2HD1  LEU  14          2HD1      LEU  14   2.537   4.837   2.788
  123   3HD1  LEU  14          3HD1      LEU  14   3.394   3.818   1.632
  124   1HD2  LEU  14          1HD2      LEU  14   0.007   4.370   3.171
  125   2HD2  LEU  14          2HD2      LEU  14   0.421   2.681   3.468
  126   3HD2  LEU  14          3HD2      LEU  14  -0.753   3.096   2.218
  127    H    GLU  15           H        GLU  15  -0.713   6.633  -0.712
  128    HA   GLU  15           HA       GLU  15   0.706   7.283  -2.973
  129   1HB   GLU  15          1HB       GLU  15  -1.816   7.043  -2.551
  130   2HB   GLU  15          2HB       GLU  15  -1.784   8.736  -2.095
  131   1HG   GLU  15          1HG       GLU  15  -1.025   9.345  -4.309
  132   2HG   GLU  15          2HG       GLU  15  -0.967   7.643  -4.775
  133    H    ALA  16           H        ALA  16  -0.492   9.567  -0.509
  134    HA   ALA  16           HA       ALA  16   0.838  11.821  -1.579
  135   1HB   ALA  16          1HB       ALA  16   0.243  12.930   0.505
  136   2HB   ALA  16          2HB       ALA  16  -0.170  11.375   1.227
  137   3HB   ALA  16          3HB       ALA  16  -1.119  12.000  -0.121
  138    H    LEU  17           H        LEU  17   1.676   9.540   1.001
  139    HA   LEU  17           HA       LEU  17   3.928  10.869   2.006
  140   1HB   LEU  17          1HB       LEU  17   2.747   8.967   3.092
  141   2HB   LEU  17          2HB       LEU  17   3.425   7.891   1.891
  142    HG   LEU  17           HG       LEU  17   5.262   9.505   3.629
  143   1HD1  LEU  17          1HD1      LEU  17   5.258   7.707   5.274
  144   2HD1  LEU  17          2HD1      LEU  17   3.968   6.889   4.392
  145   3HD1  LEU  17          3HD1      LEU  17   3.663   8.451   5.152
  146   1HD2  LEU  17          1HD2      LEU  17   6.720   7.561   3.310
  147   2HD2  LEU  17          2HD2      LEU  17   6.219   8.245   1.764
  148   3HD2  LEU  17          3HD2      LEU  17   5.461   6.769   2.362
  149    H    LEU  18           H        LEU  18   3.623   8.471  -0.580
  150    HA   LEU  18           HA       LEU  18   6.386   8.278  -1.139
  151   1HB   LEU  18          1HB       LEU  18   3.972   7.748  -2.868
  152   2HB   LEU  18          2HB       LEU  18   5.617   7.384  -3.354
  153    HG   LEU  18           HG       LEU  18   4.203   6.180  -0.974
  154   1HD1  LEU  18          1HD1      LEU  18   4.225   4.118  -2.310
  155   2HD1  LEU  18          2HD1      LEU  18   4.864   5.028  -3.679
  156   3HD1  LEU  18          3HD1      LEU  18   3.254   5.388  -3.055
  157   1HD2  LEU  18          1HD2      LEU  18   6.902   5.593  -2.187
  158   2HD2  LEU  18          2HD2      LEU  18   6.138   4.675  -0.889
  159   3HD2  LEU  18          3HD2      LEU  18   6.605   6.356  -0.625
  160    H    ARG  19           H        ARG  19   3.854  10.452  -2.256
  161    HA   ARG  19           HA       ARG  19   5.425  11.694  -4.272
  162   1HB   ARG  19          1HB       ARG  19   2.897  11.818  -4.051
  163   2HB   ARG  19          2HB       ARG  19   3.153  12.989  -2.762
  164   1HG   ARG  19          1HG       ARG  19   4.250  14.497  -4.282
  165   2HG   ARG  19          2HG       ARG  19   4.171  13.306  -5.578
  166   1HD   ARG  19          1HD       ARG  19   2.431  14.873  -5.962
  167   2HD   ARG  19          2HD       ARG  19   1.675  13.392  -5.377
  168    HE   ARG  19           HE       ARG  19   1.286  14.473  -3.281
  169   1HH1  ARG  19          1HH1      ARG  19   2.556  16.576  -5.783
  170   2HH1  ARG  19          2HH1      ARG  19   1.968  18.032  -5.032
  171   1HH2  ARG  19          1HH2      ARG  19   0.492  16.379  -2.306
  172   2HH2  ARG  19          2HH2      ARG  19   0.780  17.923  -3.069
  173    H    GLU  20           H        GLU  20   4.876  12.344  -0.845
  174    HA   GLU  20           HA       GLU  20   6.337  14.741  -0.656
  175   1HB   GLU  20          1HB       GLU  20   6.005  12.579   1.433
  176   2HB   GLU  20          2HB       GLU  20   6.544  14.223   1.741
  177   1HG   GLU  20          1HG       GLU  20   4.358  15.034   0.895
  178   2HG   GLU  20          2HG       GLU  20   3.834  13.353   0.781
  179    H    HIS  21           H        HIS  21   7.338  11.358  -0.304
  180    HA   HIS  21           HA       HIS  21  10.101  12.148   0.093
  181   1HB   HIS  21          1HB       HIS  21   8.681   9.499   0.104
  182   2HB   HIS  21          2HB       HIS  21  10.440   9.593   0.093
  183    HD1  HIS  21           HD1      HIS  21  11.597  10.117   2.269
  184    HD2  HIS  21           HD2      HIS  21   7.473  10.624   2.472
  185    HE1  HIS  21           HE1      HIS  21  11.075  10.478   4.702
  186    HE2  HIS  21           HE2      HIS  21   8.621  11.047   4.748
  187    H    GLN  22           H        GLN  22   8.419  12.359  -2.489
  188    HA   GLN  22           HA       GLN  22   8.850  12.486  -4.695
  189   1HB   GLN  22          1HB       GLN  22  11.708  12.385  -3.735
  190   2HB   GLN  22          2HB       GLN  22  11.193  12.893  -5.340
  191   1HG   GLN  22          1HG       GLN  22   9.834  14.684  -4.240
  192   2HG   GLN  22          2HG       GLN  22  10.596  14.235  -2.716
  193   1HE2  GLN  22          1HE2      GLN  22  10.690  16.748  -4.146
  194   2HE2  GLN  22          2HE2      GLN  22  12.357  17.071  -4.482
  195    H    HIS  23           H        HIS  23   8.516   9.774  -3.596
  196    HA   HIS  23           HA       HIS  23   9.974   8.281  -5.664
  197   1HB   HIS  23          1HB       HIS  23   8.502   7.429  -3.198
  198   2HB   HIS  23          2HB       HIS  23   8.688   6.293  -4.530
  199    HD1  HIS  23           HD1      HIS  23  10.996   5.244  -4.892
  200    HD2  HIS  23           HD2      HIS  23  10.924   8.158  -1.908
  201    HE1  HIS  23           HE1      HIS  23  13.215   5.086  -3.718
  202    HE2  HIS  23           HE2      HIS  23  13.219   6.970  -2.046
  203    H    TRP  24           H        TRP  24   7.241  10.020  -5.316
  204    HA   TRP  24           HA       TRP  24   5.503   8.476  -7.001
  205   1HB   TRP  24          1HB       TRP  24   4.668  10.226  -5.417
  206   2HB   TRP  24          2HB       TRP  24   5.456  11.449  -6.406
  207    HD1  TRP  24           HD1      TRP  24   4.178  12.296  -8.518
  208    HE1  TRP  24           HE1      TRP  24   1.861  11.801  -9.529
  209    HE3  TRP  24           HE3      TRP  24   2.930   8.214  -5.706
  210    HZ2  TRP  24           HZ2      TRP  24  -0.217   9.919  -9.176
  211    HZ3  TRP  24           HZ3      TRP  24   0.760   7.122  -6.106
  212    HH2  TRP  24           HH2      TRP  24  -0.781   7.958  -7.806
  213    H    ARG  25           H        ARG  25   6.246   8.014  -8.973
  214    HA   ARG  25           HA       ARG  25   8.251   9.735 -10.156
  215   1HB   ARG  25          1HB       ARG  25   7.220   7.038 -11.031
  216   2HB   ARG  25          2HB       ARG  25   8.600   7.881 -11.723
  217   1HG   ARG  25          1HG       ARG  25   9.710   7.787  -9.514
  218   2HG   ARG  25          2HG       ARG  25   8.354   6.830  -8.913
  219   1HD   ARG  25          1HD       ARG  25  10.236   5.414  -9.562
  220   2HD   ARG  25          2HD       ARG  25   8.819   5.108 -10.566
  221    HE   ARG  25           HE       ARG  25   9.953   6.625 -12.240
  222   1HH1  ARG  25          1HH1      ARG  25  11.751   4.747  -9.877
  223   2HH1  ARG  25          2HH1      ARG  25  13.182   4.663 -10.861
  224   1HH2  ARG  25          1HH2      ARG  25  11.833   6.527 -13.520
  225   2HH2  ARG  25          2HH2      ARG  25  13.237   5.678 -12.937
  226    H    ASN  26           H        ASN  26   7.838  11.193 -11.625
  227    HA   ASN  26           HA       ASN  26   5.310  11.241 -13.036
  228   1HB   ASN  26          1HB       ASN  26   6.392  13.332 -12.179
  229   2HB   ASN  26          2HB       ASN  26   7.694  13.088 -13.339
  230   1HD2  ASN  26          1HD2      ASN  26   7.345  14.923 -14.505
  231   2HD2  ASN  26          2HD2      ASN  26   5.934  15.179 -15.477
  232    H    ASP  27           H        ASP  27   6.132   9.016 -13.849
  233    HA   ASP  27           HA       ASP  27   7.576   9.413 -16.391
  234   1HB   ASP  27          1HB       ASP  27   7.503   6.986 -14.583
  235   2HB   ASP  27          2HB       ASP  27   8.163   6.966 -16.213
  236    H    GLU  28           H        GLU  28   7.020   7.278 -17.801
  237    HA   GLU  28           HA       GLU  28   4.085   7.142 -17.892
  238   1HB   GLU  28          1HB       GLU  28   6.092   6.728 -20.115
  239   2HB   GLU  28          2HB       GLU  28   4.351   6.541 -20.279
  240   1HG   GLU  28          1HG       GLU  28   4.073   8.916 -19.683
  241   2HG   GLU  28          2HG       GLU  28   5.828   9.080 -19.626
  242    HA   PRO  29           HA       PRO  29   4.915   2.978 -16.478
  243   1HB   PRO  29          1HB       PRO  29   1.988   2.744 -16.588
  244   2HB   PRO  29          2HB       PRO  29   3.074   2.578 -15.207
  245   1HG   PRO  29          1HG       PRO  29   1.442   4.693 -15.474
  246   2HG   PRO  29          2HG       PRO  29   3.056   4.842 -14.753
  247   1HD   PRO  29          1HD       PRO  29   2.144   5.531 -17.522
  248   2HD   PRO  29          2HD       PRO  29   3.227   6.432 -16.438
  249    H    GLN  30           H        GLN  30   5.084   1.064 -17.499
  250    HA   GLN  30           HA       GLN  30   3.582   0.676 -19.994
  251   1HB   GLN  30          1HB       GLN  30   6.526   0.240 -19.496
  252   2HB   GLN  30          2HB       GLN  30   5.676  -0.502 -20.846
  253   1HG   GLN  30          1HG       GLN  30   5.830   2.463 -20.344
  254   2HG   GLN  30          2HG       GLN  30   6.886   1.572 -21.440
  255   1HE2  GLN  30          1HE2      GLN  30   4.778  -0.215 -22.337
  256   2HE2  GLN  30          2HE2      GLN  30   3.756   0.713 -23.386
  257    HA   PRO  31           HA       PRO  31   2.263  -3.121 -18.168
  258   1HB   PRO  31          1HB       PRO  31   1.884  -4.542 -20.507
  259   2HB   PRO  31          2HB       PRO  31   0.723  -3.409 -19.810
  260   1HG   PRO  31          1HG       PRO  31   2.711  -2.983 -22.000
  261   2HG   PRO  31          2HG       PRO  31   1.039  -2.405 -21.876
  262   1HD   PRO  31          1HD       PRO  31   3.114  -0.783 -21.394
  263   2HD   PRO  31          2HD       PRO  31   1.614  -0.669 -20.448
  264    H    HIS  32           H        HIS  32   5.072  -2.890 -20.151
  265    HA   HIS  32           HA       HIS  32   5.978  -5.525 -20.182
  266   1HB   HIS  32          1HB       HIS  32   7.093  -3.776 -21.455
  267   2HB   HIS  32          2HB       HIS  32   7.586  -2.968 -19.972
  268    HD1  HIS  32           HD1      HIS  32   8.309  -6.048 -22.031
  269    HD2  HIS  32           HD2      HIS  32   9.890  -3.949 -18.800
  270    HE1  HIS  32           HE1      HIS  32  10.554  -7.087 -21.571
  271    HE2  HIS  32           HE2      HIS  32  11.451  -5.873 -19.553
  272    H    GLN  33           H        GLN  33   5.727  -3.310 -17.546
  273    HA   GLN  33           HA       GLN  33   7.662  -4.314 -15.798
  274   1HB   GLN  33          1HB       GLN  33   6.247  -2.242 -15.509
  275   2HB   GLN  33          2HB       GLN  33   4.932  -3.296 -15.008
  276   1HG   GLN  33          1HG       GLN  33   6.309  -4.107 -13.148
  277   2HG   GLN  33          2HG       GLN  33   7.599  -3.010 -13.640
  278   1HE2  GLN  33          1HE2      GLN  33   6.208  -3.077 -11.124
  279   2HE2  GLN  33          2HE2      GLN  33   5.454  -1.534 -10.937
  280    H    PHE  34           H        PHE  34   4.490  -5.507 -16.653
  281    HA   PHE  34           HA       PHE  34   4.347  -7.374 -14.464
  282   1HB   PHE  34          1HB       PHE  34   2.615  -7.097 -16.929
  283   2HB   PHE  34          2HB       PHE  34   2.257  -8.117 -15.541
  284    HD1  PHE  34           HD2      PHE  34   1.573  -7.141 -13.422
  285    HD2  PHE  34           HD1      PHE  34   2.336  -4.707 -16.828
  286    HE1  PHE  34           HE2      PHE  34   0.423  -5.258 -12.331
  287    HE2  PHE  34           HE1      PHE  34   1.191  -2.821 -15.745
  288    HZ   PHE  34           HZ       PHE  34   0.231  -3.095 -13.495
  289    H    ASN  35           H        ASN  35   6.086  -7.353 -17.269
  290    HA   ASN  35           HA       ASN  35   5.729 -10.128 -18.008
  291   1HB   ASN  35          1HB       ASN  35   7.818  -8.119 -18.898
  292   2HB   ASN  35          2HB       ASN  35   7.601  -9.724 -19.584
  293   1HD2  ASN  35          1HD2      ASN  35   4.688  -9.597 -19.437
  294   2HD2  ASN  35          2HD2      ASN  35   4.193  -8.522 -20.697
  295    H    SER  36           H        SER  36   7.488  -8.486 -15.626
  296    HA   SER  36           HA       SER  36   9.646 -10.262 -15.312
  297   1HB   SER  36          1HB       SER  36   8.112  -8.777 -13.159
  298   2HB   SER  36          2HB       SER  36   9.722  -9.475 -12.986
  299    HG   SER  36           HG       SER  36  10.488  -8.008 -14.503
  300    H    THR  37           H        THR  37   6.304 -10.322 -14.223
  301    HA   THR  37           HA       THR  37   4.905 -12.009 -13.659
  302    HB   THR  37           HB       THR  37   7.024 -13.850 -14.785
  303    HG1  THR  37           HG1      THR  37   6.366 -12.046 -16.169
  304   1HG2  THR  37          1HG2      THR  37   5.169 -15.005 -13.637
  305   2HG2  THR  37          2HG2      THR  37   5.127 -15.283 -15.379
  306   3HG2  THR  37          3HG2      THR  37   4.016 -14.128 -14.644
  307    H    GLN  38           H        GLN  38   7.328 -11.189 -11.949
  308    HA   GLN  38           HA       GLN  38   7.197 -13.419 -10.037
  309   1HB   GLN  38          1HB       GLN  38   9.296 -11.288 -10.459
  310   2HB   GLN  38          2HB       GLN  38   9.254 -12.316  -9.033
  311   1HG   GLN  38          1HG       GLN  38   9.575 -14.274 -10.372
  312   2HG   GLN  38          2HG       GLN  38   9.452 -13.330 -11.854
  313   1HE2  GLN  38          1HE2      GLN  38  11.141 -12.212  -9.018
  314   2HE2  GLN  38          2HE2      GLN  38  12.731 -12.275  -9.702
  315    HA   PRO  39           HA       PRO  39   4.937 -10.887  -7.153
  316   1HB   PRO  39          1HB       PRO  39   6.415 -11.508  -4.865
  317   2HB   PRO  39          2HB       PRO  39   5.016 -12.406  -5.462
  318   1HG   PRO  39          1HG       PRO  39   7.923 -12.978  -5.790
  319   2HG   PRO  39          2HG       PRO  39   6.571 -14.105  -5.582
  320   1HD   PRO  39          1HD       PRO  39   7.728 -13.720  -7.971
  321   2HD   PRO  39          2HD       PRO  39   5.981 -14.004  -7.821
  322    H    PHE  40           H        PHE  40   5.110  -8.800  -6.627
  323    HA   PHE  40           HA       PHE  40   5.932  -6.747  -6.128
  324   1HB   PHE  40          1HB       PHE  40   8.537  -8.153  -5.502
  325   2HB   PHE  40          2HB       PHE  40   8.160  -6.477  -5.127
  326    HD1  PHE  40           HD1      PHE  40   6.325  -5.990  -3.474
  327    HD2  PHE  40           HD2      PHE  40   7.917  -9.893  -4.068
  328    HE1  PHE  40           HE1      PHE  40   5.420  -6.692  -1.296
  329    HE2  PHE  40           HE2      PHE  40   7.013 -10.599  -1.896
  330    HZ   PHE  40           HZ       PHE  40   5.764  -8.999  -0.508
  331    H    PHE  41           H        PHE  41   7.052  -8.679  -8.595
  332    HA   PHE  41           HA       PHE  41   8.189  -8.365 -10.539
  333   1HB   PHE  41          1HB       PHE  41   7.150  -5.543 -10.195
  334   2HB   PHE  41          2HB       PHE  41   7.724  -6.248 -11.704
  335    HD1  PHE  41           HD1      PHE  41   6.510  -8.463 -12.422
  336    HD2  PHE  41           HD2      PHE  41   4.897  -5.588  -9.735
  337    HE1  PHE  41           HE1      PHE  41   4.247  -9.304 -12.887
  338    HE2  PHE  41           HE2      PHE  41   2.631  -6.425 -10.194
  339    HZ   PHE  41           HZ       PHE  41   2.304  -8.285 -11.772
  340    H    MET  42           H        MET  42   9.976  -8.572  -8.758
  341    HA   MET  42           HA       MET  42  11.406  -6.321  -7.873
  342   1HB   MET  42          1HB       MET  42  12.626  -9.058  -8.103
  343   2HB   MET  42          2HB       MET  42  12.883  -7.840  -6.864
  344   1HG   MET  42          1HG       MET  42  10.540  -8.214  -6.103
  345   2HG   MET  42          2HG       MET  42  10.434  -9.545  -7.259
  346   1HE   MET  42          1HE       MET  42  10.645 -11.427  -3.830
  347   2HE   MET  42          2HE       MET  42   9.744 -11.242  -5.334
  348   3HE   MET  42          3HE       MET  42   9.800  -9.916  -4.171
  349    H    ASP  43           H        ASP  43  11.376  -7.705 -10.925
  350    HA   ASP  43           HA       ASP  43  14.193  -7.279 -11.502
  351   1HB   ASP  43          1HB       ASP  43  12.012  -8.165 -13.397
  352   2HB   ASP  43          2HB       ASP  43  13.751  -8.311 -13.632
  353    H    THR  44           H        THR  44  11.051  -5.998 -12.522
  354    HA   THR  44           HA       THR  44  12.294  -4.117 -14.330
  355    HB   THR  44           HB       THR  44   9.802  -3.297 -14.428
  356    HG1  THR  44           HG1      THR  44   9.056  -5.882 -13.828
  357   1HG2  THR  44          1HG2      THR  44   9.311  -5.022 -16.100
  358   2HG2  THR  44          2HG2      THR  44  10.648  -5.996 -15.488
  359   3HG2  THR  44          3HG2      THR  44  10.969  -4.438 -16.251
  360    H    MET  45           H        MET  45  10.009  -3.713 -11.615
  361    HA   MET  45           HA       MET  45  11.499  -1.279 -10.899
  362   1HB   MET  45          1HB       MET  45   8.532  -1.797 -10.639
  363   2HB   MET  45          2HB       MET  45   9.359  -0.424  -9.911
  364   1HG   MET  45          1HG       MET  45  10.104   0.240 -12.197
  365   2HG   MET  45          2HG       MET  45   9.080  -1.041 -12.843
  366   1HE   MET  45          1HE       MET  45   7.512   2.688 -10.612
  367   2HE   MET  45          2HE       MET  45   9.208   2.415 -11.010
  368   3HE   MET  45          3HE       MET  45   8.413   1.407  -9.800
  369    H    GLU  46           H        GLU  46  12.528  -1.444  -9.090
  370    HA   GLU  46           HA       GLU  46  12.580  -3.751  -7.545
  371   1HB   GLU  46          1HB       GLU  46  13.531  -0.968  -6.844
  372   2HB   GLU  46          2HB       GLU  46  14.033  -2.453  -6.039
  373   1HG   GLU  46          1HG       GLU  46  15.046  -3.267  -8.065
  374   2HG   GLU  46          2HG       GLU  46  14.447  -1.876  -8.964
  375    HA   PRO  47           HA       PRO  47   9.551  -4.190  -4.496
  376   1HB   PRO  47          1HB       PRO  47  11.568  -3.185  -2.520
  377   2HB   PRO  47          2HB       PRO  47  10.446  -4.543  -2.380
  378   1HG   PRO  47          1HG       PRO  47  13.019  -4.907  -3.053
  379   2HG   PRO  47          2HG       PRO  47  11.724  -5.915  -3.718
  380   1HD   PRO  47          1HD       PRO  47  13.387  -3.907  -5.056
  381   2HD   PRO  47          2HD       PRO  47  12.372  -5.178  -5.762
  382    H    LEU  48           H        LEU  48  11.396  -1.212  -3.683
  383    HA   LEU  48           HA       LEU  48   9.148  -0.069  -2.340
  384   1HB   LEU  48          1HB       LEU  48  11.536   0.414  -1.788
  385   2HB   LEU  48          2HB       LEU  48  11.652   1.321  -3.284
  386    HG   LEU  48           HG       LEU  48   9.976   2.911  -2.473
  387   1HD1  LEU  48          1HD1      LEU  48   9.202   2.815  -0.157
  388   2HD1  LEU  48          2HD1      LEU  48  10.031   1.277   0.061
  389   3HD1  LEU  48          3HD1      LEU  48   8.680   1.397  -1.066
  390   1HD2  LEU  48          1HD2      LEU  48  12.334   3.345  -2.024
  391   2HD2  LEU  48          2HD2      LEU  48  12.220   2.444  -0.513
  392   3HD2  LEU  48          3HD2      LEU  48  11.318   3.946  -0.715
  393    H    GLU  49           H        GLU  49  10.250  -0.079  -5.593
  394    HA   GLU  49           HA       GLU  49   8.750   2.281  -6.364
  395   1HB   GLU  49          1HB       GLU  49  10.211   0.258  -8.072
  396   2HB   GLU  49          2HB       GLU  49   9.609   1.821  -8.602
  397   1HG   GLU  49          1HG       GLU  49  11.695   1.483  -6.462
  398   2HG   GLU  49          2HG       GLU  49  12.070   1.700  -8.170
  399    H    TRP  50           H        TRP  50   8.259  -1.076  -6.030
  400    HA   TRP  50           HA       TRP  50   6.299  -1.592  -7.985
  401   1HB   TRP  50          1HB       TRP  50   7.408  -3.386  -6.776
  402   2HB   TRP  50          2HB       TRP  50   6.728  -2.825  -5.253
  403    HD1  TRP  50           HD1      TRP  50   5.430  -4.201  -8.646
  404    HE1  TRP  50           HE1      TRP  50   3.336  -5.618  -8.169
  405    HE3  TRP  50           HE3      TRP  50   5.066  -3.434  -3.608
  406    HZ2  TRP  50           HZ2      TRP  50   1.739  -6.319  -5.943
  407    HZ3  TRP  50           HZ3      TRP  50   3.229  -4.511  -2.380
  408    HH2  TRP  50           HH2      TRP  50   1.597  -5.916  -3.523
  409    H    LEU  51           H        LEU  51   6.182   0.174  -5.037
  410    HA   LEU  51           HA       LEU  51   3.431   0.105  -4.483
  411   1HB   LEU  51          1HB       LEU  51   5.358   2.402  -4.095
  412   2HB   LEU  51          2HB       LEU  51   3.810   2.214  -3.296
  413    HG   LEU  51           HG       LEU  51   6.181   0.377  -2.934
  414   1HD1  LEU  51          1HD1      LEU  51   6.368   1.387  -0.721
  415   2HD1  LEU  51          2HD1      LEU  51   5.063   2.507  -1.115
  416   3HD1  LEU  51          3HD1      LEU  51   6.591   2.587  -1.994
  417   1HD2  LEU  51          1HD2      LEU  51   4.062  -0.765  -2.606
  418   2HD2  LEU  51          2HD2      LEU  51   3.532   0.504  -1.502
  419   3HD2  LEU  51          3HD2      LEU  51   4.890  -0.533  -1.067
  420    H    GLN  52           H        GLN  52   5.319   1.785  -6.860
  421    HA   GLN  52           HA       GLN  52   3.182   3.590  -7.620
  422   1HB   GLN  52          1HB       GLN  52   5.945   3.115  -8.744
  423   2HB   GLN  52          2HB       GLN  52   4.819   4.303  -9.384
  424   1HG   GLN  52          1HG       GLN  52   5.926   4.274  -6.585
  425   2HG   GLN  52          2HG       GLN  52   6.479   5.307  -7.903
  426   1HE2  GLN  52          1HE2      GLN  52   5.338   6.029  -5.315
  427   2HE2  GLN  52          2HE2      GLN  52   3.948   6.994  -5.661
  428    H    TRP  53           H        TRP  53   2.000   3.481  -9.441
  429    HA   TRP  53           HA       TRP  53   0.987   2.716 -11.297
  430   1HB   TRP  53          1HB       TRP  53   3.142   2.605 -12.378
  431   2HB   TRP  53          2HB       TRP  53   3.487   1.051 -11.627
  432    HD1  TRP  53           HD1      TRP  53   3.432  -0.705 -13.471
  433    HE1  TRP  53           HE1      TRP  53   1.867  -1.290 -15.426
  434    HE3  TRP  53           HE3      TRP  53   0.120   3.169 -13.058
  435    HZ2  TRP  53           HZ2      TRP  53  -0.465  -0.259 -16.629
  436    HZ3  TRP  53           HZ3      TRP  53  -1.755   3.291 -14.647
  437    HH2  TRP  53           HH2      TRP  53  -2.039   1.611 -16.395
  438    H    VAL  54           H        VAL  54   2.473  -0.009  -9.510
  439    HA   VAL  54           HA       VAL  54   0.181  -1.626 -10.262
  440    HB   VAL  54           HB       VAL  54   2.535  -2.454  -8.569
  441   1HG1  VAL  54          1HG1      VAL  54   0.559  -3.813  -8.190
  442   2HG1  VAL  54          2HG1      VAL  54   1.757  -4.731  -9.106
  443   3HG1  VAL  54          3HG1      VAL  54   0.353  -4.039  -9.926
  444   1HG2  VAL  54          1HG2      VAL  54   3.227  -1.816 -10.830
  445   2HG2  VAL  54          2HG2      VAL  54   2.007  -2.895 -11.509
  446   3HG2  VAL  54          3HG2      VAL  54   3.357  -3.559 -10.588
  447    H    LEU  55           H        LEU  55   1.789  -1.375  -7.054
  448    HA   LEU  55           HA       LEU  55  -0.310  -2.658  -5.802
  449   1HB   LEU  55          1HB       LEU  55   1.892  -2.410  -4.781
  450   2HB   LEU  55          2HB       LEU  55   1.588  -0.700  -4.523
  451    HG   LEU  55           HG       LEU  55  -0.277  -1.261  -3.018
  452   1HD1  LEU  55          1HD1      LEU  55  -0.607  -3.563  -2.280
  453   2HD1  LEU  55          2HD1      LEU  55   0.570  -4.109  -3.476
  454   3HD1  LEU  55          3HD1      LEU  55  -0.943  -3.370  -4.000
  455   1HD2  LEU  55          1HD2      LEU  55   1.041  -2.130  -1.164
  456   2HD2  LEU  55          2HD2      LEU  55   1.943  -0.921  -2.079
  457   3HD2  LEU  55          3HD2      LEU  55   2.301  -2.635  -2.291
  458    H    ILE  56           H        ILE  56   0.286   0.877  -5.550
  459    HA   ILE  56           HA       ILE  56  -2.039   1.294  -4.036
  460    HB   ILE  56           HB       ILE  56  -0.495   3.315  -5.662
  461   1HG1  ILE  56          1HG1      ILE  56  -0.443   2.621  -2.723
  462   2HG1  ILE  56          2HG1      ILE  56   0.800   2.200  -3.895
  463   1HG2  ILE  56          1HG2      ILE  56  -2.756   4.112  -5.244
  464   2HG2  ILE  56          2HG2      ILE  56  -1.587   5.005  -4.271
  465   3HG2  ILE  56          3HG2      ILE  56  -2.574   3.748  -3.527
  466   1HD1  ILE  56          1HD1      ILE  56   0.019   4.982  -3.058
  467   2HD1  ILE  56          2HD1      ILE  56   1.253   4.575  -4.251
  468   3HD1  ILE  56          3HD1      ILE  56   1.469   4.106  -2.564
  469    HA   PRO  57           HA       PRO  57  -4.294   2.784  -8.090
  470   1HB   PRO  57          1HB       PRO  57  -2.731   1.352 -10.165
  471   2HB   PRO  57          2HB       PRO  57  -3.450   2.965 -10.206
  472   1HG   PRO  57          1HG       PRO  57  -0.825   2.672  -9.952
  473   2HG   PRO  57          2HG       PRO  57  -1.687   3.923  -9.035
  474   1HD   PRO  57          1HD       PRO  57  -0.698   1.244  -8.119
  475   2HD   PRO  57          2HD       PRO  57  -0.611   2.815  -7.303
  476    H    ARG  58           H        ARG  58  -2.724  -0.424  -8.172
  477    HA   ARG  58           HA       ARG  58  -4.924  -1.784  -9.306
  478   1HB   ARG  58          1HB       ARG  58  -2.692  -2.773  -9.279
  479   2HB   ARG  58          2HB       ARG  58  -2.756  -2.892  -7.524
  480   1HG   ARG  58          1HG       ARG  58  -4.550  -4.475  -7.636
  481   2HG   ARG  58          2HG       ARG  58  -4.684  -4.260  -9.382
  482   1HD   ARG  58          1HD       ARG  58  -2.456  -5.196  -9.679
  483   2HD   ARG  58          2HD       ARG  58  -2.288  -5.374  -7.931
  484    HE   ARG  58           HE       ARG  58  -4.191  -6.957  -8.058
  485   1HH1  ARG  58          1HH1      ARG  58  -2.335  -6.291 -10.963
  486   2HH1  ARG  58          2HH1      ARG  58  -2.683  -7.837 -11.682
  487   1HH2  ARG  58          1HH2      ARG  58  -4.678  -8.968  -9.032
  488   2HH2  ARG  58          2HH2      ARG  58  -4.007  -9.340 -10.600
  489    H    MET  59           H        MET  59  -3.928  -1.273  -5.938
  490    HA   MET  59           HA       MET  59  -6.074  -2.736  -4.812
  491   1HB   MET  59          1HB       MET  59  -4.266  -0.612  -3.677
  492   2HB   MET  59          2HB       MET  59  -5.526  -1.384  -2.725
  493   1HG   MET  59          1HG       MET  59  -3.212  -2.770  -4.057
  494   2HG   MET  59          2HG       MET  59  -3.365  -2.419  -2.337
  495   1HE   MET  59          1HE       MET  59  -3.769  -6.318  -2.485
  496   2HE   MET  59          2HE       MET  59  -2.872  -4.974  -1.779
  497   3HE   MET  59          3HE       MET  59  -2.723  -5.326  -3.502
  498    H    HIS  60           H        HIS  60  -5.706   0.644  -5.766
  499    HA   HIS  60           HA       HIS  60  -8.083   1.690  -4.755
  500   1HB   HIS  60          1HB       HIS  60  -6.387   2.299  -7.126
  501   2HB   HIS  60          2HB       HIS  60  -8.012   2.965  -7.114
  502    HD1  HIS  60           HD1      HIS  60  -8.483   4.901  -5.510
  503    HD2  HIS  60           HD2      HIS  60  -4.631   3.387  -5.197
  504    HE1  HIS  60           HE1      HIS  60  -7.202   6.592  -4.166
  505    HE2  HIS  60           HE2      HIS  60  -4.807   5.816  -4.306
  506    H    ASP  61           H        ASP  61  -7.482  -0.080  -7.749
  507    HA   ASP  61           HA       ASP  61 -10.121  -0.022  -8.754
  508   1HB   ASP  61          1HB       ASP  61  -7.974  -0.586 -10.009
  509   2HB   ASP  61          2HB       ASP  61  -8.063  -2.178  -9.269
  510    H    LEU  62           H        LEU  62  -8.321  -2.496  -6.961
  511    HA   LEU  62           HA       LEU  62 -10.239  -4.479  -6.751
  512   1HB   LEU  62          1HB       LEU  62  -7.878  -4.671  -6.049
  513   2HB   LEU  62          2HB       LEU  62  -8.213  -3.643  -4.670
  514    HG   LEU  62           HG       LEU  62  -9.909  -5.446  -3.970
  515   1HD1  LEU  62          1HD1      LEU  62  -9.998  -6.679  -6.052
  516   2HD1  LEU  62          2HD1      LEU  62  -9.370  -7.709  -4.762
  517   3HD1  LEU  62          3HD1      LEU  62  -8.269  -7.016  -5.953
  518   1HD2  LEU  62          1HD2      LEU  62  -8.148  -6.760  -2.887
  519   2HD2  LEU  62          2HD2      LEU  62  -7.826  -5.029  -2.796
  520   3HD2  LEU  62          3HD2      LEU  62  -6.952  -6.029  -3.956
  521    H    LEU  63           H        LEU  63  -9.684  -1.736  -4.575
  522    HA   LEU  63           HA       LEU  63 -11.698  -2.445  -2.709
  523   1HB   LEU  63          1HB       LEU  63 -10.431   0.239  -3.241
  524   2HB   LEU  63          2HB       LEU  63 -11.362  -0.186  -1.818
  525    HG   LEU  63           HG       LEU  63  -8.798  -1.562  -2.585
  526   1HD1  LEU  63          1HD1      LEU  63  -8.357   0.792  -2.197
  527   2HD1  LEU  63          2HD1      LEU  63  -7.740  -0.186  -0.863
  528   3HD1  LEU  63          3HD1      LEU  63  -9.241   0.718  -0.670
  529   1HD2  LEU  63          1HD2      LEU  63  -8.837  -2.303  -0.250
  530   2HD2  LEU  63          2HD2      LEU  63 -10.264  -2.852  -1.129
  531   3HD2  LEU  63          3HD2      LEU  63 -10.383  -1.486  -0.020
  532    H    ASP  64           H        ASP  64 -11.612  -0.109  -5.379
  533    HA   ASP  64           HA       ASP  64 -14.110   1.073  -4.729
  534   1HB   ASP  64          1HB       ASP  64 -12.298   2.199  -6.027
  535   2HB   ASP  64          2HB       ASP  64 -12.669   1.144  -7.386
  536    H    ASN  65           H        ASN  65 -13.197  -1.662  -6.671
  537    HA   ASN  65           HA       ASN  65 -15.849  -1.883  -7.842
  538   1HB   ASN  65          1HB       ASN  65 -13.335  -3.521  -8.093
  539   2HB   ASN  65          2HB       ASN  65 -14.871  -4.084  -8.743
  540   1HD2  ASN  65          1HD2      ASN  65 -12.332  -1.734  -9.014
  541   2HD2  ASN  65          2HD2      ASN  65 -12.785  -1.120 -10.570
  542    H    LYS  66           H        LYS  66 -14.878  -2.288  -4.878
  543    HA   LYS  66           HA       LYS  66 -15.578  -3.436  -3.057
  544   1HB   LYS  66          1HB       LYS  66 -17.871  -4.121  -4.901
  545   2HB   LYS  66          2HB       LYS  66 -17.864  -4.419  -3.168
  546   1HG   LYS  66          1HG       LYS  66 -17.622  -2.014  -2.764
  547   2HG   LYS  66          2HG       LYS  66 -17.671  -1.730  -4.506
  548   1HD   LYS  66          1HD       LYS  66 -19.914  -2.647  -4.617
  549   2HD   LYS  66          2HD       LYS  66 -19.866  -3.031  -2.895
  550   1HE   LYS  66          1HE       LYS  66 -19.628  -0.640  -2.386
  551   2HE   LYS  66          2HE       LYS  66 -19.717  -0.273  -4.109
  552   1HZ   LYS  66          1HZ       LYS  66 -21.853  -1.568  -2.503
  553   2HZ   LYS  66          2HZ       LYS  66 -21.943  -1.209  -4.159
  554   3HZ   LYS  66          3HZ       LYS  66 -21.847   0.045  -3.023
  555    H    GLN  67           H        GLN  67 -13.814  -4.788  -4.935
  556    HA   GLN  67           HA       GLN  67 -14.636  -7.522  -5.120
  557   1HB   GLN  67          1HB       GLN  67 -11.939  -6.213  -5.501
  558   2HB   GLN  67          2HB       GLN  67 -12.266  -7.910  -5.817
  559   1HG   GLN  67          1HG       GLN  67 -13.519  -5.561  -7.219
  560   2HG   GLN  67          2HG       GLN  67 -12.288  -6.642  -7.872
  561   1HE2  GLN  67          1HE2      GLN  67 -15.634  -6.230  -7.116
  562   2HE2  GLN  67          2HE2      GLN  67 -16.205  -7.677  -7.880
  563    HA   PRO  68           HA       PRO  68 -13.442  -9.020  -1.124
  564   1HB   PRO  68          1HB       PRO  68 -12.475 -11.435  -2.538
  565   2HB   PRO  68          2HB       PRO  68 -13.704 -11.288  -1.278
  566   1HG   PRO  68          1HG       PRO  68 -14.376 -11.792  -3.818
  567   2HG   PRO  68          2HG       PRO  68 -15.376 -10.756  -2.784
  568   1HD   PRO  68          1HD       PRO  68 -13.444  -9.988  -4.934
  569   2HD   PRO  68          2HD       PRO  68 -15.029  -9.288  -4.537
  570    H    LEU  69           H        LEU  69 -11.623  -8.839   0.054
  571    HA   LEU  69           HA       LEU  69  -9.194  -8.095  -1.238
  572   1HB   LEU  69          1HB       LEU  69  -9.792  -8.648   1.671
  573   2HB   LEU  69          2HB       LEU  69  -8.306  -7.935   1.072
  574    HG   LEU  69           HG       LEU  69 -11.062  -6.710   0.889
  575   1HD1  LEU  69          1HD1      LEU  69 -10.175  -5.054   2.438
  576   2HD1  LEU  69          2HD1      LEU  69  -8.642  -5.924   2.506
  577   3HD1  LEU  69          3HD1      LEU  69 -10.109  -6.672   3.140
  578   1HD2  LEU  69          1HD2      LEU  69  -9.717  -6.139  -1.058
  579   2HD2  LEU  69          2HD2      LEU  69  -8.389  -5.640  -0.009
  580   3HD2  LEU  69          3HD2      LEU  69  -9.907  -4.742   0.003
  581    HA   PRO  70           HA       PRO  70  -7.055 -11.929  -1.489
  582   1HB   PRO  70          1HB       PRO  70  -4.546 -11.329  -0.601
  583   2HB   PRO  70          2HB       PRO  70  -5.174 -10.830  -2.177
  584   1HG   PRO  70          1HG       PRO  70  -4.976  -9.262   0.364
  585   2HG   PRO  70          2HG       PRO  70  -4.608  -8.756  -1.295
  586   1HD   PRO  70          1HD       PRO  70  -6.914  -8.094  -0.064
  587   2HD   PRO  70          2HD       PRO  70  -6.828  -8.399  -1.811
  588    H    GLY  71           H        GLY  71  -7.290 -10.394   1.591
  589   1HA   GLY  71          1HA       GLY  71  -7.526 -11.245   3.697
  590   2HA   GLY  71          2HA       GLY  71  -7.797 -12.802   2.935
  591    H    ALA  72           H        ALA  72  -4.789 -11.216   2.331
  592    HA   ALA  72           HA       ALA  72  -3.313 -12.326   4.494
  593   1HB   ALA  72          1HB       ALA  72  -2.124 -14.083   3.299
  594   2HB   ALA  72          2HB       ALA  72  -3.097 -13.785   1.859
  595   3HB   ALA  72          3HB       ALA  72  -3.855 -14.417   3.321
  596    H    PHE  73           H        PHE  73  -3.498  -9.820   3.120
  597    HA   PHE  73           HA       PHE  73  -1.156  -9.649   1.418
  598   1HB   PHE  73          1HB       PHE  73  -3.155  -8.374   0.801
  599   2HB   PHE  73          2HB       PHE  73  -3.082  -7.502   2.328
  600    HD1  PHE  73           HD1      PHE  73  -1.228  -8.104  -0.823
  601    HD2  PHE  73           HD2      PHE  73  -1.816  -5.554   2.532
  602    HE1  PHE  73           HE1      PHE  73   0.204  -6.400  -1.869
  603    HE2  PHE  73           HE2      PHE  73  -0.386  -3.846   1.493
  604    HZ   PHE  73           HZ       PHE  73   0.624  -4.268  -0.711
  605    H    ALA  74           H        ALA  74   0.564 -10.055   2.741
  606    HA   ALA  74           HA       ALA  74   1.145  -7.951   4.719
  607   1HB   ALA  74          1HB       ALA  74   2.401  -9.592   6.028
  608   2HB   ALA  74          2HB       ALA  74   1.949 -10.856   4.884
  609   3HB   ALA  74          3HB       ALA  74   0.711 -10.067   5.860
  610    H    VAL  75           H        VAL  75   2.380  -6.676   3.422
  611    HA   VAL  75           HA       VAL  75   4.671  -7.924   2.064
  612    HB   VAL  75           HB       VAL  75   4.856  -5.810   0.784
  613   1HG1  VAL  75          1HG1      VAL  75   2.870  -6.168  -0.614
  614   2HG1  VAL  75          2HG1      VAL  75   2.162  -7.158   0.663
  615   3HG1  VAL  75          3HG1      VAL  75   3.635  -7.688  -0.149
  616   1HG2  VAL  75          1HG2      VAL  75   3.838  -4.299   2.408
  617   2HG2  VAL  75          2HG2      VAL  75   2.276  -5.086   2.176
  618   3HG2  VAL  75          3HG2      VAL  75   3.020  -4.192   0.849
  619    H    ALA  76           H        ALA  76   3.833  -6.042   4.743
  620    HA   ALA  76           HA       ALA  76   5.944  -4.253   4.983
  621   1HB   ALA  76          1HB       ALA  76   3.956  -4.187   6.404
  622   2HB   ALA  76          2HB       ALA  76   5.438  -4.172   7.358
  623   3HB   ALA  76          3HB       ALA  76   4.494  -5.655   7.224
  624    HA   PRO  77           HA       PRO  77   8.354  -7.803   7.464
  625   1HB   PRO  77          1HB       PRO  77   7.850 -10.255   6.235
  626   2HB   PRO  77          2HB       PRO  77   7.251  -9.752   7.818
  627   1HG   PRO  77          1HG       PRO  77   5.883  -9.698   5.166
  628   2HG   PRO  77          2HG       PRO  77   5.222 -10.092   6.764
  629   1HD   PRO  77          1HD       PRO  77   4.742  -7.727   5.630
  630   2HD   PRO  77          2HD       PRO  77   5.047  -7.852   7.376
  631    H    TYR  78           H        TYR  78   7.475  -8.097   4.039
  632    HA   TYR  78           HA       TYR  78  10.042  -8.979   3.193
  633   1HB   TYR  78          1HB       TYR  78   8.107  -9.409   1.791
  634   2HB   TYR  78          2HB       TYR  78   7.795  -7.683   1.633
  635    HD1  TYR  78           HD2      TYR  78  10.352 -10.283   0.864
  636    HD2  TYR  78           HD1      TYR  78   8.730  -6.480  -0.145
  637    HE1  TYR  78           HE2      TYR  78  11.787 -10.205  -1.131
  638    HE2  TYR  78           HE1      TYR  78  10.164  -6.394  -2.141
  639    HH   TYR  78           HH       TYR  78  11.861  -9.097  -3.316
  640    H    TYR  79           H        TYR  79   8.418  -5.808   3.076
  641    HA   TYR  79           HA       TYR  79  10.568  -4.403   1.938
  642   1HB   TYR  79          1HB       TYR  79   8.196  -3.557   3.574
  643   2HB   TYR  79          2HB       TYR  79   9.416  -2.386   3.084
  644    HD1  TYR  79           HD2      TYR  79   6.885  -4.775   1.819
  645    HD2  TYR  79           HD1      TYR  79   9.489  -1.551   0.876
  646    HE1  TYR  79           HE2      TYR  79   5.769  -4.518  -0.357
  647    HE2  TYR  79           HE1      TYR  79   8.383  -1.282  -1.300
  648    HH   TYR  79           HH       TYR  79   7.045  -2.566  -2.861
  649    H    GLU  80           H        GLU  80   9.905  -5.335   5.225
  650    HA   GLU  80           HA       GLU  80  11.690  -3.617   6.557
  651   1HB   GLU  80          1HB       GLU  80   9.961  -4.930   7.700
  652   2HB   GLU  80          2HB       GLU  80  10.796  -6.416   7.277
  653   1HG   GLU  80          1HG       GLU  80  11.251  -5.915   9.557
  654   2HG   GLU  80          2HG       GLU  80  12.726  -5.658   8.629
  655    H    MET  81           H        MET  81  12.225  -6.462   4.645
  656    HA   MET  81           HA       MET  81  15.018  -6.615   5.569
  657   1HB   MET  81          1HB       MET  81  13.440  -8.614   3.942
  658   2HB   MET  81          2HB       MET  81  15.078  -8.832   4.537
  659   1HG   MET  81          1HG       MET  81  14.277  -8.805   6.823
  660   2HG   MET  81          2HG       MET  81  12.633  -8.509   6.260
  661   1HE   MET  81          1HE       MET  81  11.303 -10.272   4.676
  662   2HE   MET  81          2HE       MET  81  11.976 -11.836   4.216
  663   3HE   MET  81          3HE       MET  81  12.703 -10.348   3.604
  664    H    ALA  82           H        ALA  82  12.982  -6.122   2.776
  665    HA   ALA  82           HA       ALA  82  15.083  -6.407   0.858
  666   1HB   ALA  82          1HB       ALA  82  12.756  -6.922   0.310
  667   2HB   ALA  82          2HB       ALA  82  13.430  -5.708  -0.777
  668   3HB   ALA  82          3HB       ALA  82  12.335  -5.222   0.518
  669    H    LEU  83           H        LEU  83  13.767  -3.761   2.694
  670    HA   LEU  83           HA       LEU  83  15.087  -1.801   0.982
  671   1HB   LEU  83          1HB       LEU  83  13.359  -1.441   3.430
  672   2HB   LEU  83          2HB       LEU  83  14.047  -0.131   2.491
  673    HG   LEU  83           HG       LEU  83  11.997  -2.126   1.528
  674   1HD1  LEU  83          1HD1      LEU  83  11.812   0.818   2.151
  675   2HD1  LEU  83          2HD1      LEU  83  11.059  -0.499   3.050
  676   3HD1  LEU  83          3HD1      LEU  83  10.538  -0.144   1.404
  677   1HD2  LEU  83          1HD2      LEU  83  13.511  -1.503  -0.277
  678   2HD2  LEU  83          2HD2      LEU  83  13.266   0.204   0.088
  679   3HD2  LEU  83          3HD2      LEU  83  11.925  -0.770  -0.514
  680    H    ALA  84           H        ALA  84  17.059  -1.128   1.371
  681    HA   ALA  84           HA       ALA  84  18.499  -1.927   3.707
  682   1HB   ALA  84          1HB       ALA  84  19.574  -1.750   1.514
  683   2HB   ALA  84          2HB       ALA  84  20.370  -0.732   2.715
  684   3HB   ALA  84          3HB       ALA  84  19.291  -0.009   1.520
  685    H    THR  85           H        THR  85  19.625  -0.537   5.126
  686    HA   THR  85           HA       THR  85  17.819   1.563   6.038
  687    HB   THR  85           HB       THR  85  20.172   0.625   7.633
  688    HG1  THR  85           HG1      THR  85  19.410  -1.362   7.286
  689   1HG2  THR  85          1HG2      THR  85  17.313   1.316   8.303
  690   2HG2  THR  85          2HG2      THR  85  18.700   2.391   8.489
  691   3HG2  THR  85          3HG2      THR  85  18.579   0.928   9.468
  692    H    ASP  86           H        ASP  86  20.194   1.582   3.947
  693    HA   ASP  86           HA       ASP  86  21.993   3.561   4.855
  694   1HB   ASP  86          1HB       ASP  86  22.677   3.744   2.580
  695   2HB   ASP  86          2HB       ASP  86  22.285   2.053   2.840
  696    H    HIS  87           H        HIS  87  18.765   3.617   3.658
  697    HA   HIS  87           HA       HIS  87  18.714   6.481   4.250
  698   1HB   HIS  87          1HB       HIS  87  16.937   6.802   2.546
  699   2HB   HIS  87          2HB       HIS  87  18.482   6.348   1.851
  700    HD1  HIS  87           HD1      HIS  87  18.556   3.504   1.462
  701    HD2  HIS  87           HD2      HIS  87  14.922   5.534   1.324
  702    HE1  HIS  87           HE1      HIS  87  17.005   2.033   0.151
  703    HE2  HIS  87           HE2      HIS  87  14.938   3.421  -0.176
  704    HA   PRO  88           HA       PRO  88  16.296   4.407   7.367
  705   1HB   PRO  88          1HB       PRO  88  16.244   7.044   8.649
  706   2HB   PRO  88          2HB       PRO  88  16.952   5.533   9.221
  707   1HG   PRO  88          1HG       PRO  88  18.476   7.594   8.419
  708   2HG   PRO  88          2HG       PRO  88  18.956   5.909   8.147
  709   1HD   PRO  88          1HD       PRO  88  17.728   7.861   6.232
  710   2HD   PRO  88          2HD       PRO  88  19.057   6.710   5.967
  711    H    GLN  89           H        GLN  89  15.241   6.813   5.282
  712    HA   GLN  89           HA       GLN  89  12.836   7.633   6.496
  713   1HB   GLN  89          1HB       GLN  89  13.457   7.403   3.551
  714   2HB   GLN  89          2HB       GLN  89  12.151   8.344   4.259
  715   1HG   GLN  89          1HG       GLN  89  13.880   9.680   5.468
  716   2HG   GLN  89          2HG       GLN  89  15.106   8.824   4.531
  717   1HE2  GLN  89          1HE2      GLN  89  14.482  11.653   4.578
  718   2HE2  GLN  89          2HE2      GLN  89  14.070  12.088   2.948
  719    H    ARG  90           H        ARG  90  13.744   4.634   5.213
  720    HA   ARG  90           HA       ARG  90  11.272   3.716   4.217
  721   1HB   ARG  90          1HB       ARG  90  12.198   1.484   4.373
  722   2HB   ARG  90          2HB       ARG  90  13.412   2.586   3.747
  723   1HG   ARG  90          1HG       ARG  90  14.554   2.621   5.863
  724   2HG   ARG  90          2HG       ARG  90  13.269   1.668   6.614
  725   1HD   ARG  90          1HD       ARG  90  13.770  -0.177   5.049
  726   2HD   ARG  90          2HD       ARG  90  15.098   0.771   4.386
  727    HE   ARG  90           HE       ARG  90  16.321   0.401   6.344
  728   1HH1  ARG  90          1HH1      ARG  90  13.184  -1.119   6.471
  729   2HH1  ARG  90          2HH1      ARG  90  13.597  -2.203   7.763
  730   1HH2  ARG  90          1HH2      ARG  90  16.923  -1.051   8.004
  731   2HH2  ARG  90          2HH2      ARG  90  15.738  -2.155   8.646
  732    H    ALA  91           H        ALA  91  12.427   4.212   7.421
  733    HA   ALA  91           HA       ALA  91  10.860   2.347   8.829
  734   1HB   ALA  91          1HB       ALA  91  11.836   5.055   9.733
  735   2HB   ALA  91          2HB       ALA  91  12.733   3.541   9.850
  736   3HB   ALA  91          3HB       ALA  91  11.252   3.764  10.782
  737    H    LEU  92           H        LEU  92  10.189   5.605   7.683
  738    HA   LEU  92           HA       LEU  92   7.676   5.892   8.974
  739   1HB   LEU  92          1HB       LEU  92   8.763   7.237   6.496
  740   2HB   LEU  92          2HB       LEU  92   7.317   7.734   7.353
  741    HG   LEU  92           HG       LEU  92  10.107   7.761   8.507
  742   1HD1  LEU  92          1HD1      LEU  92   9.850   9.425   6.758
  743   2HD1  LEU  92          2HD1      LEU  92   9.908  10.197   8.342
  744   3HD1  LEU  92          3HD1      LEU  92   8.366  10.009   7.509
  745   1HD2  LEU  92          1HD2      LEU  92   8.413   7.409  10.213
  746   2HD2  LEU  92          2HD2      LEU  92   7.486   8.778   9.602
  747   3HD2  LEU  92          3HD2      LEU  92   9.070   9.041  10.330
  748    H    ILE  93           H        ILE  93   8.714   4.682   5.853
  749    HA   ILE  93           HA       ILE  93   6.141   4.373   4.715
  750    HB   ILE  93           HB       ILE  93   8.653   2.813   4.070
  751   1HG1  ILE  93          1HG1      ILE  93   7.633   5.393   2.854
  752   2HG1  ILE  93          2HG1      ILE  93   8.985   5.273   3.975
  753   1HG2  ILE  93          1HG2      ILE  93   6.632   1.824   3.135
  754   2HG2  ILE  93          2HG2      ILE  93   7.626   2.530   1.861
  755   3HG2  ILE  93          3HG2      ILE  93   6.184   3.375   2.426
  756   1HD1  ILE  93          1HD1      ILE  93  10.197   3.906   2.346
  757   2HD1  ILE  93          2HD1      ILE  93   9.767   5.488   1.696
  758   3HD1  ILE  93          3HD1      ILE  93   8.846   4.060   1.225
  759    H    LEU  94           H        LEU  94   8.308   2.165   6.449
  760    HA   LEU  94           HA       LEU  94   6.752  -0.152   6.283
  761   1HB   LEU  94          1HB       LEU  94   8.641   0.746   8.457
  762   2HB   LEU  94          2HB       LEU  94   7.981  -0.873   8.328
  763    HG   LEU  94           HG       LEU  94   9.754   0.446   6.271
  764   1HD1  LEU  94          1HD1      LEU  94  10.354  -1.698   8.300
  765   2HD1  LEU  94          2HD1      LEU  94  10.948  -0.038   8.334
  766   3HD1  LEU  94          3HD1      LEU  94  11.451  -1.128   7.043
  767   1HD2  LEU  94          1HD2      LEU  94   9.853  -1.773   5.266
  768   2HD2  LEU  94          2HD2      LEU  94   8.195  -1.174   5.309
  769   3HD2  LEU  94          3HD2      LEU  94   8.726  -2.382   6.478
  770    H    ALA  95           H        ALA  95   6.736   2.452   8.679
  771    HA   ALA  95           HA       ALA  95   4.934   1.359  10.496
  772   1HB   ALA  95          1HB       ALA  95   5.262   4.266   9.753
  773   2HB   ALA  95          2HB       ALA  95   6.229   3.385  10.938
  774   3HB   ALA  95          3HB       ALA  95   4.509   3.647  11.224
  775    H    GLU  96           H        GLU  96   4.290   3.443   7.693
  776    HA   GLU  96           HA       GLU  96   1.476   3.458   8.009
  777   1HB   GLU  96          1HB       GLU  96   2.921   5.095   6.692
  778   2HB   GLU  96          2HB       GLU  96   2.969   3.882   5.421
  779   1HG   GLU  96          1HG       GLU  96   1.285   5.531   4.939
  780   2HG   GLU  96          2HG       GLU  96   0.529   3.971   5.254
  781    H    LEU  97           H        LEU  97   3.706   1.403   6.190
  782    HA   LEU  97           HA       LEU  97   1.816  -0.076   4.736
  783   1HB   LEU  97          1HB       LEU  97   4.511  -0.907   5.815
  784   2HB   LEU  97          2HB       LEU  97   3.551  -1.892   4.729
  785    HG   LEU  97           HG       LEU  97   4.714   0.819   4.100
  786   1HD1  LEU  97          1HD1      LEU  97   6.104  -0.435   2.520
  787   2HD1  LEU  97          2HD1      LEU  97   5.410  -1.943   3.115
  788   3HD1  LEU  97          3HD1      LEU  97   6.386  -0.937   4.187
  789   1HD2  LEU  97          1HD2      LEU  97   2.558   0.473   2.989
  790   2HD2  LEU  97          2HD2      LEU  97   3.134  -1.069   2.353
  791   3HD2  LEU  97          3HD2      LEU  97   3.891   0.438   1.836
  792    H    GLU  98           H        GLU  98   3.078  -0.503   8.013
  793    HA   GLU  98           HA       GLU  98   1.795  -2.983   8.494
  794   1HB   GLU  98          1HB       GLU  98   2.744  -0.881  10.439
  795   2HB   GLU  98          2HB       GLU  98   2.205  -2.492  10.893
  796   1HG   GLU  98          1HG       GLU  98   4.019  -3.408   9.433
  797   2HG   GLU  98          2HG       GLU  98   4.615  -1.757   9.257
  798    H    LYS  99           H        LYS  99   0.766   0.353   8.850
  799    HA   LYS  99           HA       LYS  99  -1.601  -0.152  10.308
  800   1HB   LYS  99          1HB       LYS  99  -0.552   2.109   9.876
  801   2HB   LYS  99          2HB       LYS  99  -1.202   2.023   8.246
  802   1HG   LYS  99          1HG       LYS  99  -3.479   1.788   9.262
  803   2HG   LYS  99          2HG       LYS  99  -2.740   2.129  10.826
  804   1HD   LYS  99          1HD       LYS  99  -2.677   3.940   8.416
  805   2HD   LYS  99          2HD       LYS  99  -3.720   4.138   9.824
  806   1HE   LYS  99          1HE       LYS  99  -0.704   4.156   9.906
  807   2HE   LYS  99          2HE       LYS  99  -1.711   5.602   9.839
  808   1HZ   LYS  99          1HZ       LYS  99  -2.785   4.764  11.928
  809   2HZ   LYS  99          2HZ       LYS  99  -1.171   5.252  12.085
  810   3HZ   LYS  99          3HZ       LYS  99  -1.551   3.602  12.023
  811    H    LEU 100           H        LEU 100  -0.859  -0.116   6.865
  812    HA   LEU 100           HA       LEU 100  -3.494  -0.711   5.967
  813   1HB   LEU 100          1HB       LEU 100  -1.689   0.323   4.588
  814   2HB   LEU 100          2HB       LEU 100  -0.850  -1.216   4.596
  815    HG   LEU 100           HG       LEU 100  -2.785  -2.232   3.412
  816   1HD1  LEU 100          1HD1      LEU 100  -4.523  -0.705   4.137
  817   2HD1  LEU 100          2HD1      LEU 100  -4.427  -0.735   2.377
  818   3HD1  LEU 100          3HD1      LEU 100  -3.746   0.622   3.272
  819   1HD2  LEU 100          1HD2      LEU 100  -2.303  -1.208   1.245
  820   2HD2  LEU 100          2HD2      LEU 100  -0.828  -1.457   2.180
  821   3HD2  LEU 100          3HD2      LEU 100  -1.534   0.155   2.058
  822    H    ASP 101           H        ASP 101  -0.636  -2.604   6.717
  823    HA   ASP 101           HA       ASP 101  -1.382  -5.145   5.932
  824   1HB   ASP 101          1HB       ASP 101   0.837  -4.745   6.702
  825   2HB   ASP 101          2HB       ASP 101   0.269  -4.156   8.257
  826    H    ALA 102           H        ALA 102  -2.240  -3.396   8.870
  827    HA   ALA 102           HA       ALA 102  -3.518  -5.569  10.173
  828   1HB   ALA 102          1HB       ALA 102  -2.692  -3.597  11.376
  829   2HB   ALA 102          2HB       ALA 102  -4.400  -3.897  11.701
  830   3HB   ALA 102          3HB       ALA 102  -3.925  -2.610  10.592
  831    H    LEU 103           H        LEU 103  -4.546  -3.359   7.712
  832    HA   LEU 103           HA       LEU 103  -7.357  -3.759   8.119
  833   1HB   LEU 103          1HB       LEU 103  -5.857  -2.749   5.699
  834   2HB   LEU 103          2HB       LEU 103  -7.597  -2.700   5.897
  835    HG   LEU 103           HG       LEU 103  -5.602  -1.223   7.617
  836   1HD1  LEU 103          1HD1      LEU 103  -5.745  -0.327   5.353
  837   2HD1  LEU 103          2HD1      LEU 103  -6.469   0.774   6.525
  838   3HD1  LEU 103          3HD1      LEU 103  -7.499  -0.224   5.500
  839   1HD2  LEU 103          1HD2      LEU 103  -7.575  -0.105   8.542
  840   2HD2  LEU 103          2HD2      LEU 103  -7.603  -1.840   8.860
  841   3HD2  LEU 103          3HD2      LEU 103  -8.618  -1.159   7.588
  842    H    PHE 104           H        PHE 104  -4.823  -5.214   6.194
  843    HA   PHE 104           HA       PHE 104  -6.674  -7.039   4.894
  844   1HB   PHE 104          1HB       PHE 104  -3.672  -6.750   4.751
  845   2HB   PHE 104          2HB       PHE 104  -4.576  -7.983   3.876
  846    HD1  PHE 104           HD1      PHE 104  -6.158  -7.322   2.101
  847    HD2  PHE 104           HD2      PHE 104  -3.604  -4.508   4.009
  848    HE1  PHE 104           HE1      PHE 104  -6.525  -5.742   0.250
  849    HE2  PHE 104           HE2      PHE 104  -3.965  -2.922   2.167
  850    HZ   PHE 104           HZ       PHE 104  -5.425  -3.538   0.281
  851    H    ALA 105           H        ALA 105  -5.732  -6.917   7.894
  852    HA   ALA 105           HA       ALA 105  -5.399  -9.833   8.147
  853   1HB   ALA 105          1HB       ALA 105  -4.438  -9.410  10.357
  854   2HB   ALA 105          2HB       ALA 105  -4.657  -7.676  10.123
  855   3HB   ALA 105          3HB       ALA 105  -3.533  -8.567   9.098
  856    H    ASP 106           H        ASP 106  -7.680  -7.571   8.141
  857    HA   ASP 106           HA       ASP 106  -9.202  -8.757  10.372
  858   1HB   ASP 106          1HB       ASP 106  -8.872  -6.386  10.710
  859   2HB   ASP 106          2HB       ASP 106  -9.450  -6.029   9.086
  860    H    ASP 107           H        ASP 107  -9.011  -8.512   6.984
  861    HA   ASP 107           HA       ASP 107 -11.847  -8.668   6.499
  862   1HB   ASP 107          1HB       ASP 107 -11.292  -8.719   4.159
  863   2HB   ASP 107          2HB       ASP 107 -10.293  -7.503   4.945
  864    H    ALA 108           H        ALA 108 -11.696 -10.543   4.287
  865    HA   ALA 108           HA       ALA 108 -12.313 -12.846   5.944
  866   1HB   ALA 108          1HB       ALA 108 -13.979 -12.047   4.343
  867   2HB   ALA 108          2HB       ALA 108 -13.488 -13.707   4.003
  868   3HB   ALA 108          3HB       ALA 108 -12.865 -12.384   3.019
  869    H    SER 109           H        SER 109 -10.172 -13.514   6.403
  870    HA   SER 109           HA       SER 109  -8.489 -14.504   4.297
  871   1HB   SER 109          1HB       SER 109  -8.363 -15.087   7.268
  872   2HB   SER 109          2HB       SER 109  -7.068 -15.315   6.094
  873    HG   SER 109           HG       SER 109  -6.951 -13.087   5.827
  874    H    LEU 110           H        LEU 110  -8.428 -16.547   3.480
  875    HA   LEU 110           HA       LEU 110 -10.432 -18.436   4.455
  876   1HB   LEU 110          1HB       LEU 110  -8.707 -18.487   1.979
  877   2HB   LEU 110          2HB       LEU 110  -9.883 -19.717   2.396
  878    HG   LEU 110           HG       LEU 110 -10.489 -16.826   1.769
  879   1HD1  LEU 110          1HD1      LEU 110 -11.579 -17.734  -0.217
  880   2HD1  LEU 110          2HD1      LEU 110 -11.058 -19.358   0.235
  881   3HD1  LEU 110          3HD1      LEU 110  -9.861 -18.134  -0.190
  882   1HD2  LEU 110          1HD2      LEU 110 -12.021 -17.723   3.449
  883   2HD2  LEU 110          2HD2      LEU 110 -12.355 -19.108   2.409
  884   3HD2  LEU 110          3HD2      LEU 110 -12.835 -17.489   1.901
  885    H    GLU 111           H        GLU 111  -7.169 -17.788   4.811
  886    HA   GLU 111           HA       GLU 111  -6.262 -20.495   5.183
  887   1HB   GLU 111          1HB       GLU 111  -4.203 -19.387   6.076
  888   2HB   GLU 111          2HB       GLU 111  -4.637 -18.897   4.445
  889   1HG   GLU 111          1HG       GLU 111  -5.378 -16.796   5.147
  890   2HG   GLU 111          2HG       GLU 111  -5.472 -17.299   6.836
  891    H    HIS 112           H        HIS 112  -7.629 -17.977   7.116
  892    HA   HIS 112           HA       HIS 112  -7.493 -19.730   9.463
  893   1HB   HIS 112          1HB       HIS 112  -6.915 -16.778   9.304
  894   2HB   HIS 112          2HB       HIS 112  -7.496 -17.500  10.800
  895    HD1  HIS 112           HD1      HIS 112  -4.434 -16.984   8.819
  896    HD2  HIS 112           HD2      HIS 112  -5.710 -19.507  11.871
  897    HE1  HIS 112           HE1      HIS 112  -2.347 -17.995   9.777
  898    HE2  HIS 112           HE2      HIS 112  -3.170 -19.707  11.432
  899    H    HIS 113           H        HIS 113  -9.368 -19.905  10.620
  900    HA   HIS 113           HA       HIS 113 -11.692 -19.588   9.066
  901   1HB   HIS 113          1HB       HIS 113 -11.432 -20.267  11.998
  902   2HB   HIS 113          2HB       HIS 113 -12.906 -20.440  11.049
  903    HD1  HIS 113           HD1      HIS 113 -11.305 -22.806  12.467
  904    HD2  HIS 113           HD2      HIS 113 -11.181 -21.813   8.427
  905    HE1  HIS 113           HE1      HIS 113 -10.572 -24.896  11.272
  906    HE2  HIS 113           HE2      HIS 113 -10.326 -24.215   8.859
  907    H    HIS 114           H        HIS 114 -10.332 -17.603  11.596
  908    HA   HIS 114           HA       HIS 114 -10.824 -15.498  12.305
  909   1HB   HIS 114          1HB       HIS 114 -10.639 -15.161   9.804
  910   2HB   HIS 114          2HB       HIS 114 -12.393 -15.253   9.729
  911    HD1  HIS 114           HD1      HIS 114 -13.471 -13.027   9.709
  912    HD2  HIS 114           HD2      HIS 114  -9.858 -12.967  11.764
  913    HE1  HIS 114           HE1      HIS 114 -13.124 -10.636  10.397
  914    HE2  HIS 114           HE2      HIS 114 -10.977 -10.631  11.718
  915    H    HIS 115           H        HIS 115 -12.394 -17.408  13.419
  916    HA   HIS 115           HA       HIS 115 -14.205 -17.641  14.748
  917   1HB   HIS 115          1HB       HIS 115 -14.670 -14.768  13.967
  918   2HB   HIS 115          2HB       HIS 115 -15.740 -15.639  15.063
  919    HD1  HIS 115           HD1      HIS 115 -13.018 -13.400  15.174
  920    HD2  HIS 115           HD2      HIS 115 -14.024 -16.833  17.293
  921    HE1  HIS 115           HE1      HIS 115 -11.707 -13.283  17.319
  922    HE2  HIS 115           HE2      HIS 115 -12.493 -15.266  18.666
  923    H    HIS 116           H        HIS 116 -14.298 -18.308  11.863
  924    HA   HIS 116           HA       HIS 116 -17.093 -18.118  11.211
  925   1HB   HIS 116          1HB       HIS 116 -15.431 -18.409   9.422
  926   2HB   HIS 116          2HB       HIS 116 -14.962 -19.965  10.097
  927    HD1  HIS 116           HD1      HIS 116 -17.840 -18.293   8.301
  928    HD2  HIS 116           HD2      HIS 116 -16.546 -22.099   9.354
  929    HE1  HIS 116           HE1      HIS 116 -19.334 -19.881   7.055
  930    HE2  HIS 116           HE2      HIS 116 -18.404 -22.173   7.555
  931    H    HIS 117           H        HIS 117 -14.970 -20.486  12.747
  932    HA   HIS 117           HA       HIS 117 -17.150 -21.581  14.214
  933   1HB   HIS 117          1HB       HIS 117 -17.143 -22.674  11.809
  934   2HB   HIS 117          2HB       HIS 117 -15.827 -23.630  12.477
  935    HD1  HIS 117           HD1      HIS 117 -17.699 -25.567  11.969
  936    HD2  HIS 117           HD2      HIS 117 -18.413 -23.017  15.175
  937    HE1  HIS 117           HE1      HIS 117 -19.462 -26.700  13.359
  938    HE2  HIS 117           HE2      HIS 117 -20.016 -25.047  15.179
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1 -17.372   7.281   4.577
    2   2H    MET   1          2H        MET   1 -18.670   6.403   5.221
    3   3H    MET   1          3H        MET   1 -17.838   5.809   3.870
    4    HA   MET   1           HA       MET   1 -15.812   5.664   5.243
    5   1HB   MET   1          1HB       MET   1 -16.744   7.310   6.951
    6   2HB   MET   1          2HB       MET   1 -17.749   5.998   7.544
    7   1HG   MET   1          1HG       MET   1 -14.743   5.910   7.449
    8   2HG   MET   1          2HG       MET   1 -15.676   6.406   8.857
    9   1HE   MET   1          1HE       MET   1 -17.290   4.766  10.218
   10   2HE   MET   1          2HE       MET   1 -17.573   3.086   9.762
   11   3HE   MET   1          3HE       MET   1 -18.157   4.390   8.728
   12    H    THR   2           H        THR   2 -15.494   3.604   4.902
   13    HA   THR   2           HA       THR   2 -17.243   1.598   6.090
   14    HB   THR   2           HB       THR   2 -17.120   0.266   3.922
   15    HG1  THR   2           HG1      THR   2 -16.849   2.735   2.595
   16   1HG2  THR   2          1HG2      THR   2 -19.046   1.415   2.893
   17   2HG2  THR   2          2HG2      THR   2 -18.756   2.803   3.943
   18   3HG2  THR   2          3HG2      THR   2 -19.215   1.247   4.639
   19    H    THR   3           H        THR   3 -16.131  -0.678   5.521
   20    HA   THR   3           HA       THR   3 -13.530  -0.609   6.605
   21    HB   THR   3           HB       THR   3 -14.878  -2.859   5.099
   22    HG1  THR   3           HG1      THR   3 -14.826  -2.297   7.902
   23   1HG2  THR   3          1HG2      THR   3 -13.406  -4.322   6.393
   24   2HG2  THR   3          2HG2      THR   3 -12.650  -2.918   7.143
   25   3HG2  THR   3          3HG2      THR   3 -12.463  -3.201   5.412
   26    H    HIS   4           H        HIS   4 -14.767  -0.883   3.309
   27    HA   HIS   4           HA       HIS   4 -12.226  -1.223   2.067
   28   1HB   HIS   4          1HB       HIS   4 -14.898  -0.284   1.030
   29   2HB   HIS   4          2HB       HIS   4 -13.471  -0.366   0.002
   30    HD1  HIS   4           HD1      HIS   4 -16.328  -2.296   0.869
   31    HD2  HIS   4           HD2      HIS   4 -12.318  -3.169   0.162
   32    HE1  HIS   4           HE1      HIS   4 -16.241  -4.754   0.352
   33    HE2  HIS   4           HE2      HIS   4 -13.843  -5.214  -0.263
   34    H    ASP   5           H        ASP   5 -14.196   1.556   2.913
   35    HA   ASP   5           HA       ASP   5 -12.712   3.546   1.616
   36   1HB   ASP   5          1HB       ASP   5 -14.896   4.047   2.443
   37   2HB   ASP   5          2HB       ASP   5 -14.441   3.618   4.087
   38    H    ARG   6           H        ARG   6 -12.315   2.080   4.823
   39    HA   ARG   6           HA       ARG   6 -10.357   3.798   5.822
   40   1HB   ARG   6          1HB       ARG   6 -10.485   0.814   6.276
   41   2HB   ARG   6          2HB       ARG   6  -9.673   1.991   7.296
   42   1HG   ARG   6          1HG       ARG   6 -11.952   3.044   7.642
   43   2HG   ARG   6          2HG       ARG   6 -12.617   1.583   6.907
   44   1HD   ARG   6          1HD       ARG   6 -11.321   0.267   8.614
   45   2HD   ARG   6          2HD       ARG   6 -10.958   1.796   9.413
   46    HE   ARG   6           HE       ARG   6 -13.436   0.344   9.461
   47   1HH1  ARG   6          1HH1      ARG   6 -11.979   3.525   9.801
   48   2HH1  ARG   6          2HH1      ARG   6 -13.270   4.141  10.792
   49   1HH2  ARG   6          1HH2      ARG   6 -15.113   1.147  10.766
   50   2HH2  ARG   6          2HH2      ARG   6 -15.062   2.784  11.340
   51    H    VAL   7           H        VAL   7  -9.977   0.824   3.924
   52    HA   VAL   7           HA       VAL   7  -7.151   0.955   3.748
   53    HB   VAL   7           HB       VAL   7  -9.069  -0.398   1.837
   54   1HG1  VAL   7          1HG1      VAL   7  -6.165  -0.961   2.418
   55   2HG1  VAL   7          2HG1      VAL   7  -6.790  -0.180   0.966
   56   3HG1  VAL   7          3HG1      VAL   7  -7.198  -1.862   1.309
   57   1HG2  VAL   7          1HG2      VAL   7  -7.757  -1.474   4.330
   58   2HG2  VAL   7          2HG2      VAL   7  -8.712  -2.413   3.183
   59   3HG2  VAL   7          3HG2      VAL   7  -9.475  -1.129   4.121
   60    H    ARG   8           H        ARG   8  -9.779   2.236   1.834
   61    HA   ARG   8           HA       ARG   8  -8.320   3.043  -0.433
   62   1HB   ARG   8          1HB       ARG   8 -10.878   2.895   0.007
   63   2HB   ARG   8          2HB       ARG   8 -10.704   4.534   0.614
   64   1HG   ARG   8          1HG       ARG   8  -9.864   5.272  -1.538
   65   2HG   ARG   8          2HG       ARG   8  -9.955   3.617  -2.154
   66   1HD   ARG   8          1HD       ARG   8 -12.401   3.652  -1.605
   67   2HD   ARG   8          2HD       ARG   8 -12.233   5.374  -1.268
   68    HE   ARG   8           HE       ARG   8 -11.632   4.204  -3.907
   69   1HH1  ARG   8          1HH1      ARG   8 -13.162   6.629  -1.895
   70   2HH1  ARG   8          2HH1      ARG   8 -13.756   7.555  -3.246
   71   1HH2  ARG   8          1HH2      ARG   8 -12.412   5.391  -5.675
   72   2HH2  ARG   8          2HH2      ARG   8 -13.352   6.832  -5.405
   73    H    LEU   9           H        LEU   9  -9.226   4.753   2.533
   74    HA   LEU   9           HA       LEU   9  -7.938   7.195   1.970
   75   1HB   LEU   9          1HB       LEU   9  -8.393   5.903   4.664
   76   2HB   LEU   9          2HB       LEU   9  -8.067   7.600   4.373
   77    HG   LEU   9           HG       LEU   9 -10.528   6.143   3.416
   78   1HD1  LEU   9          1HD1      LEU   9 -10.490   6.272   5.832
   79   2HD1  LEU   9          2HD1      LEU   9 -11.684   7.395   5.178
   80   3HD1  LEU   9          3HD1      LEU   9 -10.130   7.997   5.755
   81   1HD2  LEU   9          1HD2      LEU   9  -9.916   8.041   2.017
   82   2HD2  LEU   9          2HD2      LEU   9  -9.818   9.073   3.443
   83   3HD2  LEU   9          3HD2      LEU   9 -11.369   8.392   2.953
   84    H    GLN  10           H        GLN  10  -6.842   4.174   3.368
   85    HA   GLN  10           HA       GLN  10  -4.311   5.064   4.262
   86   1HB   GLN  10          1HB       GLN  10  -5.723   2.759   4.531
   87   2HB   GLN  10          2HB       GLN  10  -4.532   2.267   3.336
   88   1HG   GLN  10          1HG       GLN  10  -3.820   1.766   5.618
   89   2HG   GLN  10          2HG       GLN  10  -2.732   2.902   4.817
   90   1HE2  GLN  10          1HE2      GLN  10  -2.524   4.958   5.605
   91   2HE2  GLN  10          2HE2      GLN  10  -3.273   5.495   7.070
   92    H    LEU  11           H        LEU  11  -5.460   3.656   1.237
   93    HA   LEU  11           HA       LEU  11  -2.974   3.564  -0.085
   94   1HB   LEU  11          1HB       LEU  11  -5.764   3.895  -1.183
   95   2HB   LEU  11          2HB       LEU  11  -4.346   3.602  -2.172
   96    HG   LEU  11           HG       LEU  11  -5.407   1.723  -0.062
   97   1HD1  LEU  11          1HD1      LEU  11  -6.897   1.885  -1.983
   98   2HD1  LEU  11          2HD1      LEU  11  -6.073   0.325  -1.949
   99   3HD1  LEU  11          3HD1      LEU  11  -5.540   1.581  -3.068
  100   1HD2  LEU  11          1HD2      LEU  11  -3.192   1.398  -2.084
  101   2HD2  LEU  11          2HD2      LEU  11  -3.802   0.136  -1.014
  102   3HD2  LEU  11          3HD2      LEU  11  -2.994   1.550  -0.338
  103    H    GLN  12           H        GLN  12  -5.396   6.115   0.252
  104    HA   GLN  12           HA       GLN  12  -4.139   7.999  -1.435
  105   1HB   GLN  12          1HB       GLN  12  -5.983   8.330   0.928
  106   2HB   GLN  12          2HB       GLN  12  -5.388   9.696  -0.003
  107   1HG   GLN  12          1HG       GLN  12  -6.394   8.640  -2.030
  108   2HG   GLN  12          2HG       GLN  12  -7.130   7.444  -0.961
  109   1HE2  GLN  12          1HE2      GLN  12  -8.340   9.485  -2.702
  110   2HE2  GLN  12          2HE2      GLN  12  -9.354  10.435  -1.668
  111    H    ALA  13           H        ALA  13  -3.858   7.356   2.031
  112    HA   ALA  13           HA       ALA  13  -1.988   9.382   2.612
  113   1HB   ALA  13          1HB       ALA  13  -3.265   8.219   4.344
  114   2HB   ALA  13          2HB       ALA  13  -1.532   8.127   4.656
  115   3HB   ALA  13          3HB       ALA  13  -2.384   6.730   3.998
  116    H    LEU  14           H        LEU  14  -1.630   6.051   1.536
  117    HA   LEU  14           HA       LEU  14   1.201   5.963   1.735
  118   1HB   LEU  14          1HB       LEU  14  -0.251   3.971   1.685
  119   2HB   LEU  14          2HB       LEU  14  -0.671   4.327   0.023
  120    HG   LEU  14           HG       LEU  14   1.636   3.923  -0.673
  121   1HD1  LEU  14          1HD1      LEU  14   2.138   3.254   2.226
  122   2HD1  LEU  14          2HD1      LEU  14   2.757   4.669   1.375
  123   3HD1  LEU  14          3HD1      LEU  14   3.283   3.053   0.899
  124   1HD2  LEU  14          1HD2      LEU  14   1.698   1.519  -0.245
  125   2HD2  LEU  14          2HD2      LEU  14   0.060   2.056  -0.618
  126   3HD2  LEU  14          3HD2      LEU  14   0.518   1.714   1.051
  127    H    GLU  15           H        GLU  15  -1.040   6.651  -0.935
  128    HA   GLU  15           HA       GLU  15   0.873   7.125  -2.935
  129   1HB   GLU  15          1HB       GLU  15  -1.569   6.969  -3.361
  130   2HB   GLU  15          2HB       GLU  15  -1.794   8.513  -2.550
  131   1HG   GLU  15          1HG       GLU  15  -0.256   9.515  -4.271
  132   2HG   GLU  15          2HG       GLU  15  -0.356   7.983  -5.135
  133    H    ALA  16           H        ALA  16  -0.602   9.273  -0.545
  134    HA   ALA  16           HA       ALA  16   0.753  11.625  -1.263
  135   1HB   ALA  16          1HB       ALA  16   0.163  12.435   0.963
  136   2HB   ALA  16          2HB       ALA  16  -0.255  10.794   1.458
  137   3HB   ALA  16          3HB       ALA  16  -1.201  11.608   0.211
  138    H    LEU  17           H        LEU  17   1.590   9.009   0.975
  139    HA   LEU  17           HA       LEU  17   3.935  10.077   2.035
  140   1HB   LEU  17          1HB       LEU  17   2.918   8.072   2.934
  141   2HB   LEU  17          2HB       LEU  17   3.205   7.209   1.436
  142    HG   LEU  17           HG       LEU  17   5.611   8.280   2.798
  143   1HD1  LEU  17          1HD1      LEU  17   4.319   7.481   4.701
  144   2HD1  LEU  17          2HD1      LEU  17   5.678   6.406   4.370
  145   3HD1  LEU  17          3HD1      LEU  17   4.047   5.942   3.884
  146   1HD2  LEU  17          1HD2      LEU  17   4.928   5.625   1.532
  147   2HD2  LEU  17          2HD2      LEU  17   6.525   6.127   2.089
  148   3HD2  LEU  17          3HD2      LEU  17   5.758   6.965   0.739
  149    H    LEU  18           H        LEU  18   3.454   8.134  -0.897
  150    HA   LEU  18           HA       LEU  18   6.157   8.100  -1.685
  151   1HB   LEU  18          1HB       LEU  18   3.651   7.925  -3.359
  152   2HB   LEU  18          2HB       LEU  18   5.267   7.596  -3.954
  153    HG   LEU  18           HG       LEU  18   3.825   6.041  -1.802
  154   1HD1  LEU  18          1HD1      LEU  18   2.919   5.634  -4.016
  155   2HD1  LEU  18          2HD1      LEU  18   3.830   4.233  -3.452
  156   3HD1  LEU  18          3HD1      LEU  18   4.539   5.325  -4.641
  157   1HD2  LEU  18          1HD2      LEU  18   6.227   6.113  -1.395
  158   2HD2  LEU  18          2HD2      LEU  18   6.533   5.592  -3.052
  159   3HD2  LEU  18          3HD2      LEU  18   5.725   4.506  -1.921
  160    H    ARG  19           H        ARG  19   3.553  10.402  -2.260
  161    HA   ARG  19           HA       ARG  19   4.970  12.070  -4.061
  162   1HB   ARG  19          1HB       ARG  19   2.696  12.687  -2.172
  163   2HB   ARG  19          2HB       ARG  19   3.290  13.798  -3.397
  164   1HG   ARG  19          1HG       ARG  19   2.664  12.223  -5.146
  165   2HG   ARG  19          2HG       ARG  19   2.095  11.083  -3.924
  166   1HD   ARG  19          1HD       ARG  19   0.268  12.411  -4.959
  167   2HD   ARG  19          2HD       ARG  19   0.382  12.615  -3.210
  168    HE   ARG  19           HE       ARG  19   1.749  14.582  -4.882
  169   1HH1  ARG  19          1HH1      ARG  19  -1.133  13.782  -3.053
  170   2HH1  ARG  19          2HH1      ARG  19  -1.519  15.439  -2.698
  171   1HH2  ARG  19          1HH2      ARG  19   1.244  16.768  -4.406
  172   2HH2  ARG  19          2HH2      ARG  19  -0.177  17.127  -3.463
  173    H    GLU  20           H        GLU  20   4.419  12.298  -0.557
  174    HA   GLU  20           HA       GLU  20   5.871  14.641  -0.082
  175   1HB   GLU  20          1HB       GLU  20   5.353  12.281   1.733
  176   2HB   GLU  20          2HB       GLU  20   5.998  13.824   2.271
  177   1HG   GLU  20          1HG       GLU  20   3.971  14.947   1.706
  178   2HG   GLU  20          2HG       GLU  20   3.333  13.502   0.920
  179    H    HIS  21           H        HIS  21   6.908  11.276  -0.202
  180    HA   HIS  21           HA       HIS  21   9.625  12.060   0.527
  181   1HB   HIS  21          1HB       HIS  21   8.401   9.326   0.120
  182   2HB   HIS  21          2HB       HIS  21  10.069   9.615   0.604
  183    HD1  HIS  21           HD1      HIS  21   9.873  11.602   2.799
  184    HD2  HIS  21           HD2      HIS  21   7.079   8.555   2.354
  185    HE1  HIS  21           HE1      HIS  21   8.802  11.326   5.059
  186    HE2  HIS  21           HE2      HIS  21   6.957   9.644   4.702
  187    H    GLN  22           H        GLN  22   8.170  12.566  -2.088
  188    HA   GLN  22           HA       GLN  22   8.829  13.007  -4.198
  189   1HB   GLN  22          1HB       GLN  22  11.583  12.361  -3.141
  190   2HB   GLN  22          2HB       GLN  22  11.225  13.249  -4.617
  191   1HG   GLN  22          1HG       GLN  22  10.151  15.002  -3.316
  192   2HG   GLN  22          2HG       GLN  22  10.477  14.109  -1.833
  193   1HE2  GLN  22          1HE2      GLN  22  11.288  16.770  -2.678
  194   2HE2  GLN  22          2HE2      GLN  22  13.017  16.794  -2.576
  195    H    HIS  23           H        HIS  23   8.510  10.032  -3.264
  196    HA   HIS  23           HA       HIS  23  10.010   8.630  -5.282
  197   1HB   HIS  23          1HB       HIS  23   8.183   7.894  -3.099
  198   2HB   HIS  23          2HB       HIS  23   8.063   6.865  -4.525
  199    HD1  HIS  23           HD1      HIS  23   9.647   4.986  -4.576
  200    HD2  HIS  23           HD2      HIS  23  11.036   8.123  -2.227
  201    HE1  HIS  23           HE1      HIS  23  11.832   4.196  -3.613
  202    HE2  HIS  23           HE2      HIS  23  12.767   6.212  -2.418
  203    H    TRP  24           H        TRP  24   6.997  10.247  -5.089
  204    HA   TRP  24           HA       TRP  24   5.766   8.914  -7.301
  205   1HB   TRP  24          1HB       TRP  24   4.713  10.364  -5.365
  206   2HB   TRP  24          2HB       TRP  24   5.009  11.690  -6.485
  207    HD1  TRP  24           HD1      TRP  24   3.290  12.038  -8.384
  208    HE1  TRP  24           HE1      TRP  24   1.204  10.765  -9.201
  209    HE3  TRP  24           HE3      TRP  24   3.771   7.813  -5.557
  210    HZ2  TRP  24           HZ2      TRP  24  -0.067   8.285  -8.700
  211    HZ3  TRP  24           HZ3      TRP  24   2.084   6.037  -5.783
  212    HH2  TRP  24           HH2      TRP  24   0.204   6.270  -7.323
  213    H    ARG  25           H        ARG  25   8.250  11.174  -7.004
  214    HA   ARG  25           HA       ARG  25   7.846  12.189  -9.722
  215   1HB   ARG  25          1HB       ARG  25   9.764  13.041  -7.549
  216   2HB   ARG  25          2HB       ARG  25   9.773  13.700  -9.180
  217   1HG   ARG  25          1HG       ARG  25   7.334  14.308  -8.770
  218   2HG   ARG  25          2HG       ARG  25   7.662  13.974  -7.069
  219   1HD   ARG  25          1HD       ARG  25   9.222  15.920  -8.758
  220   2HD   ARG  25          2HD       ARG  25   7.885  16.373  -7.706
  221    HE   ARG  25           HE       ARG  25   9.220  15.786  -5.819
  222   1HH1  ARG  25          1HH1      ARG  25  10.931  15.631  -8.868
  223   2HH1  ARG  25          2HH1      ARG  25  12.502  15.853  -8.153
  224   1HH2  ARG  25          1HH2      ARG  25  11.276  16.148  -4.874
  225   2HH2  ARG  25          2HH2      ARG  25  12.694  16.186  -5.880
  226    H    ASN  26           H        ASN  26   8.957   9.525  -8.492
  227    HA   ASN  26           HA       ASN  26  11.034   9.242 -10.559
  228   1HB   ASN  26          1HB       ASN  26  11.991   8.997  -8.282
  229   2HB   ASN  26          2HB       ASN  26  10.823   7.727  -7.939
  230   1HD2  ASN  26          1HD2      ASN  26  12.348   6.171  -7.572
  231   2HD2  ASN  26          2HD2      ASN  26  13.342   5.498  -8.819
  232    H    ASP  27           H        ASP  27   9.630   8.565 -12.154
  233    HA   ASP  27           HA       ASP  27   8.120   6.118 -11.727
  234   1HB   ASP  27          1HB       ASP  27   6.513   7.616 -10.854
  235   2HB   ASP  27          2HB       ASP  27   6.851   8.826 -12.086
  236    H    GLU  28           H        GLU  28   7.963   4.965 -13.539
  237    HA   GLU  28           HA       GLU  28   7.506   6.094 -16.093
  238   1HB   GLU  28          1HB       GLU  28   9.975   6.531 -15.820
  239   2HB   GLU  28          2HB       GLU  28  10.211   4.788 -15.765
  240   1HG   GLU  28          1HG       GLU  28   9.240   4.593 -18.004
  241   2HG   GLU  28          2HG       GLU  28   9.037   6.343 -18.060
  242    HA   PRO  29           HA       PRO  29   6.088   1.762 -15.812
  243   1HB   PRO  29          1HB       PRO  29   3.845   2.174 -17.277
  244   2HB   PRO  29          2HB       PRO  29   3.925   2.504 -15.544
  245   1HG   PRO  29          1HG       PRO  29   4.150   4.401 -17.847
  246   2HG   PRO  29          2HG       PRO  29   3.266   4.591 -16.321
  247   1HD   PRO  29          1HD       PRO  29   5.693   5.723 -16.772
  248   2HD   PRO  29          2HD       PRO  29   5.154   5.208 -15.161
  249    H    GLN  30           H        GLN  30   7.229   0.517 -17.118
  250    HA   GLN  30           HA       GLN  30   7.350   1.173 -19.993
  251   1HB   GLN  30          1HB       GLN  30   9.245  -0.575 -18.414
  252   2HB   GLN  30          2HB       GLN  30   9.433  -0.057 -20.081
  253   1HG   GLN  30          1HG       GLN  30   9.658   2.260 -19.323
  254   2HG   GLN  30          2HG       GLN  30   9.508   1.716 -17.652
  255   1HE2  GLN  30          1HE2      GLN  30  11.713   3.103 -18.921
  256   2HE2  GLN  30          2HE2      GLN  30  13.095   2.072 -18.746
  257    HA   PRO  31           HA       PRO  31   4.983  -2.459 -20.945
  258   1HB   PRO  31          1HB       PRO  31   6.904  -2.785 -23.192
  259   2HB   PRO  31          2HB       PRO  31   5.140  -2.704 -23.221
  260   1HG   PRO  31          1HG       PRO  31   6.605  -0.634 -24.029
  261   2HG   PRO  31          2HG       PRO  31   5.109  -0.389 -23.108
  262   1HD   PRO  31          1HD       PRO  31   7.950  -0.200 -22.200
  263   2HD   PRO  31          2HD       PRO  31   6.548   0.791 -21.743
  264    H    HIS  32           H        HIS  32   8.518  -2.607 -21.061
  265    HA   HIS  32           HA       HIS  32   8.806  -5.401 -21.048
  266   1HB   HIS  32          1HB       HIS  32  10.617  -3.781 -21.575
  267   2HB   HIS  32          2HB       HIS  32  10.680  -3.333 -19.876
  268    HD1  HIS  32           HD1      HIS  32  11.935  -5.791 -22.304
  269    HD2  HIS  32           HD2      HIS  32  11.730  -5.413 -18.165
  270    HE1  HIS  32           HE1      HIS  32  13.544  -7.488 -21.385
  271    HE2  HIS  32           HE2      HIS  32  13.555  -7.103 -18.897
  272    H    GLN  33           H        GLN  33   8.259  -3.108 -18.465
  273    HA   GLN  33           HA       GLN  33   9.147  -4.660 -16.291
  274   1HB   GLN  33          1HB       GLN  33   6.988  -2.543 -16.338
  275   2HB   GLN  33          2HB       GLN  33   7.837  -3.120 -14.910
  276   1HG   GLN  33          1HG       GLN  33   9.902  -2.191 -15.698
  277   2HG   GLN  33          2HG       GLN  33   9.159  -1.744 -17.233
  278   1HE2  GLN  33          1HE2      GLN  33  10.491  -0.079 -15.252
  279   2HE2  GLN  33          2HE2      GLN  33   9.336   1.124 -14.789
  280    H    PHE  34           H        PHE  34   5.910  -4.184 -17.645
  281    HA   PHE  34           HA       PHE  34   4.665  -5.807 -15.661
  282   1HB   PHE  34          1HB       PHE  34   3.534  -4.811 -18.279
  283   2HB   PHE  34          2HB       PHE  34   2.614  -5.406 -16.901
  284    HD1  PHE  34           HD1      PHE  34   3.094  -4.149 -14.636
  285    HD2  PHE  34           HD2      PHE  34   3.822  -2.539 -18.508
  286    HE1  PHE  34           HE1      PHE  34   3.026  -1.875 -13.701
  287    HE2  PHE  34           HE2      PHE  34   3.754  -0.264 -17.578
  288    HZ   PHE  34           HZ       PHE  34   3.357   0.071 -15.173
  289    H    ASN  35           H        ASN  35   6.393  -6.577 -18.440
  290    HA   ASN  35           HA       ASN  35   4.900  -8.938 -19.138
  291   1HB   ASN  35          1HB       ASN  35   7.628  -7.939 -19.981
  292   2HB   ASN  35          2HB       ASN  35   6.959  -9.472 -20.531
  293   1HD2  ASN  35          1HD2      ASN  35   7.677  -7.129 -22.089
  294   2HD2  ASN  35          2HD2      ASN  35   6.234  -6.622 -22.901
  295    H    SER  36           H        SER  36   7.400  -8.162 -16.870
  296    HA   SER  36           HA       SER  36   8.209 -10.819 -16.318
  297   1HB   SER  36          1HB       SER  36   8.084  -8.414 -14.475
  298   2HB   SER  36          2HB       SER  36   8.938  -9.917 -14.128
  299    HG   SER  36           HG       SER  36  10.548  -8.953 -15.074
  300    H    THR  37           H        THR  37   5.707  -8.714 -15.001
  301    HA   THR  37           HA       THR  37   3.655  -9.124 -14.125
  302    HB   THR  37           HB       THR  37   3.865 -11.934 -15.204
  303    HG1  THR  37           HG1      THR  37   3.613  -9.476 -16.576
  304   1HG2  THR  37          1HG2      THR  37   1.841 -11.441 -13.936
  305   2HG2  THR  37          2HG2      THR  37   1.460 -11.612 -15.650
  306   3HG2  THR  37          3HG2      THR  37   1.553 -10.008 -14.922
  307    H    GLN  38           H        GLN  38   6.265 -10.158 -12.731
  308    HA   GLN  38           HA       GLN  38   5.118 -12.145 -10.938
  309   1HB   GLN  38          1HB       GLN  38   7.538 -12.174 -11.878
  310   2HB   GLN  38          2HB       GLN  38   7.862 -10.935 -10.673
  311   1HG   GLN  38          1HG       GLN  38   7.092 -12.485  -8.915
  312   2HG   GLN  38          2HG       GLN  38   6.874 -13.728 -10.145
  313   1HE2  GLN  38          1HE2      GLN  38   9.133 -11.965  -8.229
  314   2HE2  GLN  38          2HE2      GLN  38  10.533 -12.896  -8.640
  315    HA   PRO  39           HA       PRO  39   3.727  -9.243  -7.897
  316   1HB   PRO  39          1HB       PRO  39   4.860 -11.219  -5.971
  317   2HB   PRO  39          2HB       PRO  39   3.251 -10.488  -6.014
  318   1HG   PRO  39          1HG       PRO  39   3.610 -13.000  -6.805
  319   2HG   PRO  39          2HG       PRO  39   2.503 -11.925  -7.681
  320   1HD   PRO  39          1HD       PRO  39   5.256 -12.823  -8.415
  321   2HD   PRO  39          2HD       PRO  39   3.848 -12.536  -9.456
  322    H    PHE  40           H        PHE  40   4.605  -7.556  -6.882
  323    HA   PHE  40           HA       PHE  40   6.052  -6.160  -5.851
  324   1HB   PHE  40          1HB       PHE  40   7.814  -8.585  -5.464
  325   2HB   PHE  40          2HB       PHE  40   8.054  -7.014  -4.711
  326    HD1  PHE  40           HD1      PHE  40   6.220  -6.146  -3.166
  327    HD2  PHE  40           HD2      PHE  40   6.465 -10.191  -4.466
  328    HE1  PHE  40           HE1      PHE  40   4.796  -6.838  -1.282
  329    HE2  PHE  40           HE2      PHE  40   5.044 -10.887  -2.587
  330    HZ   PHE  40           HZ       PHE  40   4.210  -9.213  -0.995
  331    H    PHE  41           H        PHE  41   6.851  -7.923  -8.621
  332    HA   PHE  41           HA       PHE  41   8.353  -7.711 -10.305
  333   1HB   PHE  41          1HB       PHE  41   8.191  -4.822  -9.427
  334   2HB   PHE  41          2HB       PHE  41   8.997  -5.353 -10.901
  335    HD1  PHE  41           HD1      PHE  41   7.701  -6.224 -12.783
  336    HD2  PHE  41           HD2      PHE  41   5.802  -4.804  -9.250
  337    HE1  PHE  41           HE1      PHE  41   5.552  -6.129 -13.977
  338    HE2  PHE  41           HE2      PHE  41   3.654  -4.710 -10.437
  339    HZ   PHE  41           HZ       PHE  41   3.524  -5.371 -12.804
  340    H    MET  42           H        MET  42   9.861  -9.009  -9.218
  341    HA   MET  42           HA       MET  42  11.787  -7.719  -7.459
  342   1HB   MET  42          1HB       MET  42  11.573 -10.652  -8.141
  343   2HB   MET  42          2HB       MET  42  12.386  -9.928  -6.760
  344   1HG   MET  42          1HG       MET  42  10.279  -9.260  -5.809
  345   2HG   MET  42          2HG       MET  42   9.419  -9.826  -7.239
  346   1HE   MET  42          1HE       MET  42   8.418 -10.701  -4.460
  347   2HE   MET  42          2HE       MET  42   8.259 -12.452  -4.600
  348   3HE   MET  42          3HE       MET  42   7.741 -11.413  -5.927
  349    H    ASP  43           H        ASP  43  11.570  -8.590 -10.719
  350    HA   ASP  43           HA       ASP  43  14.494  -8.904 -10.937
  351   1HB   ASP  43          1HB       ASP  43  14.115 -10.120 -13.009
  352   2HB   ASP  43          2HB       ASP  43  13.197 -10.861 -11.703
  353    H    THR  44           H        THR  44  12.165  -6.627 -11.364
  354    HA   THR  44           HA       THR  44  13.026  -5.706 -13.973
  355    HB   THR  44           HB       THR  44  11.298  -3.903 -13.567
  356    HG1  THR  44           HG1      THR  44  10.010  -4.072 -11.796
  357   1HG2  THR  44          1HG2      THR  44  10.360  -6.769 -13.372
  358   2HG2  THR  44          2HG2      THR  44  10.840  -5.952 -14.859
  359   3HG2  THR  44          3HG2      THR  44   9.419  -5.402 -13.970
  360    H    MET  45           H        MET  45  12.379  -3.670 -11.123
  361    HA   MET  45           HA       MET  45  15.132  -2.636 -11.329
  362   1HB   MET  45          1HB       MET  45  12.610  -0.996 -11.040
  363   2HB   MET  45          2HB       MET  45  14.223  -0.358 -10.760
  364   1HG   MET  45          1HG       MET  45  14.785  -0.990 -13.111
  365   2HG   MET  45          2HG       MET  45  13.084  -1.385 -13.345
  366   1HE   MET  45          1HE       MET  45  11.738   0.960 -11.491
  367   2HE   MET  45          2HE       MET  45  11.120   0.410 -13.048
  368   3HE   MET  45          3HE       MET  45  11.390   2.129 -12.766
  369    H    GLU  46           H        GLU  46  12.535  -1.531  -9.239
  370    HA   GLU  46           HA       GLU  46  13.882  -2.806  -6.950
  371   1HB   GLU  46          1HB       GLU  46  12.320  -0.210  -6.926
  372   2HB   GLU  46          2HB       GLU  46  13.053  -0.979  -5.530
  373   1HG   GLU  46          1HG       GLU  46  14.585   0.636  -5.988
  374   2HG   GLU  46          2HG       GLU  46  15.252  -0.710  -6.908
  375    HA   PRO  47           HA       PRO  47   9.975  -4.787  -6.093
  376   1HB   PRO  47          1HB       PRO  47  10.556  -4.256  -3.235
  377   2HB   PRO  47          2HB       PRO  47  10.263  -5.793  -4.056
  378   1HG   PRO  47          1HG       PRO  47  12.718  -5.135  -3.256
  379   2HG   PRO  47          2HG       PRO  47  12.458  -5.967  -4.799
  380   1HD   PRO  47          1HD       PRO  47  12.994  -3.065  -4.278
  381   2HD   PRO  47          2HD       PRO  47  13.664  -4.125  -5.537
  382    H    LEU  48           H        LEU  48  10.779  -1.614  -5.247
  383    HA   LEU  48           HA       LEU  48   8.283  -0.831  -4.065
  384   1HB   LEU  48          1HB       LEU  48  10.523   0.779  -5.293
  385   2HB   LEU  48          2HB       LEU  48   9.140   1.476  -4.475
  386    HG   LEU  48           HG       LEU  48  11.129  -0.370  -3.154
  387   1HD1  LEU  48          1HD1      LEU  48  10.920   2.636  -3.076
  388   2HD1  LEU  48          2HD1      LEU  48  12.216   1.700  -3.818
  389   3HD1  LEU  48          3HD1      LEU  48  11.985   1.657  -2.072
  390   1HD2  LEU  48          1HD2      LEU  48  10.096   0.450  -1.087
  391   2HD2  LEU  48          2HD2      LEU  48   8.925  -0.377  -2.113
  392   3HD2  LEU  48          3HD2      LEU  48   8.943   1.385  -2.038
  393    H    GLU  49           H        GLU  49   9.359  -1.503  -7.191
  394    HA   GLU  49           HA       GLU  49   7.996   0.352  -8.785
  395   1HB   GLU  49          1HB       GLU  49   9.770  -1.260  -9.491
  396   2HB   GLU  49          2HB       GLU  49   8.584  -2.548  -9.388
  397   1HG   GLU  49          1HG       GLU  49   7.331  -1.638 -11.196
  398   2HG   GLU  49          2HG       GLU  49   8.319  -0.172 -11.208
  399    H    TRP  50           H        TRP  50   7.026  -2.775  -7.498
  400    HA   TRP  50           HA       TRP  50   4.470  -2.967  -8.611
  401   1HB   TRP  50          1HB       TRP  50   5.628  -4.817  -7.512
  402   2HB   TRP  50          2HB       TRP  50   5.538  -3.980  -5.971
  403    HD1  TRP  50           HD1      TRP  50   3.057  -5.442  -8.587
  404    HE1  TRP  50           HE1      TRP  50   1.058  -6.439  -7.286
  405    HE3  TRP  50           HE3      TRP  50   4.447  -4.126  -3.849
  406    HZ2  TRP  50           HZ2      TRP  50   0.209  -6.637  -4.607
  407    HZ3  TRP  50           HZ3      TRP  50   2.990  -4.762  -1.973
  408    HH2  TRP  50           HH2      TRP  50   0.913  -5.986  -2.346
  409    H    LEU  51           H        LEU  51   5.588  -1.443  -5.630
  410    HA   LEU  51           HA       LEU  51   3.029  -0.682  -4.671
  411   1HB   LEU  51          1HB       LEU  51   4.944  -0.859  -3.193
  412   2HB   LEU  51          2HB       LEU  51   5.794   0.382  -4.090
  413    HG   LEU  51           HG       LEU  51   4.090   2.033  -3.367
  414   1HD1  LEU  51          1HD1      LEU  51   3.093  -0.225  -1.643
  415   2HD1  LEU  51          2HD1      LEU  51   2.241   0.475  -3.019
  416   3HD1  LEU  51          3HD1      LEU  51   2.547   1.452  -1.583
  417   1HD2  LEU  51          1HD2      LEU  51   6.180   1.803  -2.142
  418   2HD2  LEU  51          2HD2      LEU  51   5.473   0.528  -1.150
  419   3HD2  LEU  51          3HD2      LEU  51   4.852   2.175  -1.043
  420    H    GLN  52           H        GLN  52   5.447   0.850  -6.684
  421    HA   GLN  52           HA       GLN  52   4.532   3.489  -6.592
  422   1HB   GLN  52          1HB       GLN  52   6.750   2.820  -7.398
  423   2HB   GLN  52          2HB       GLN  52   6.019   2.051  -8.797
  424   1HG   GLN  52          1HG       GLN  52   6.912   4.147  -9.476
  425   2HG   GLN  52          2HG       GLN  52   5.153   4.265  -9.497
  426   1HE2  GLN  52          1HE2      GLN  52   5.207   6.493  -9.350
  427   2HE2  GLN  52          2HE2      GLN  52   5.625   7.312  -7.889
  428    H    TRP  53           H        TRP  53   3.877   0.985  -9.078
  429    HA   TRP  53           HA       TRP  53   1.949   2.880 -10.239
  430   1HB   TRP  53          1HB       TRP  53   3.995   2.064 -11.573
  431   2HB   TRP  53          2HB       TRP  53   3.137   0.533 -11.701
  432    HD1  TRP  53           HD1      TRP  53   3.082   4.118 -12.979
  433    HE1  TRP  53           HE1      TRP  53   1.457   4.283 -14.973
  434    HE3  TRP  53           HE3      TRP  53   0.985  -0.541 -12.702
  435    HZ2  TRP  53           HZ2      TRP  53  -0.457   2.651 -16.249
  436    HZ3  TRP  53           HZ3      TRP  53  -0.736  -1.157 -14.348
  437    HH2  TRP  53           HH2      TRP  53  -1.442   0.409 -16.085
  438    H    VAL  54           H        VAL  54   2.210  -0.289  -8.836
  439    HA   VAL  54           HA       VAL  54  -0.260  -1.111 -10.178
  440    HB   VAL  54           HB       VAL  54   1.737  -2.830  -8.711
  441   1HG1  VAL  54          1HG1      VAL  54  -0.515  -3.776  -8.661
  442   2HG1  VAL  54          2HG1      VAL  54   0.538  -4.712  -9.721
  443   3HG1  VAL  54          3HG1      VAL  54  -0.638  -3.595 -10.412
  444   1HG2  VAL  54          1HG2      VAL  54   2.305  -3.630 -10.995
  445   2HG2  VAL  54          2HG2      VAL  54   2.719  -1.939 -10.720
  446   3HG2  VAL  54          3HG2      VAL  54   1.283  -2.355 -11.656
  447    H    LEU  55           H        LEU  55   1.176  -1.505  -6.914
  448    HA   LEU  55           HA       LEU  55  -0.949  -2.814  -5.773
  449   1HB   LEU  55          1HB       LEU  55   1.189  -2.640  -4.670
  450   2HB   LEU  55          2HB       LEU  55   0.972  -0.915  -4.441
  451    HG   LEU  55           HG       LEU  55  -0.891  -1.335  -2.907
  452   1HD1  LEU  55          1HD1      LEU  55  -1.414  -3.592  -2.164
  453   2HD1  LEU  55          2HD1      LEU  55  -0.273  -4.248  -3.337
  454   3HD1  LEU  55          3HD1      LEU  55  -1.718  -3.401  -3.891
  455   1HD2  LEU  55          1HD2      LEU  55   1.360  -1.174  -1.994
  456   2HD2  LEU  55          2HD2      LEU  55   1.580  -2.911  -2.212
  457   3HD2  LEU  55          3HD2      LEU  55   0.380  -2.311  -1.067
  458    H    ILE  56           H        ILE  56  -0.400   0.709  -5.468
  459    HA   ILE  56           HA       ILE  56  -2.590   1.182  -3.822
  460    HB   ILE  56           HB       ILE  56  -1.320   3.119  -5.757
  461   1HG1  ILE  56          1HG1      ILE  56  -0.786   2.573  -2.828
  462   2HG1  ILE  56          2HG1      ILE  56   0.273   2.138  -4.164
  463   1HG2  ILE  56          1HG2      ILE  56  -3.061   3.620  -3.344
  464   2HG2  ILE  56          2HG2      ILE  56  -3.502   3.906  -5.027
  465   3HG2  ILE  56          3HG2      ILE  56  -2.224   4.861  -4.276
  466   1HD1  ILE  56          1HD1      ILE  56  -0.472   4.933  -3.345
  467   2HD1  ILE  56          2HD1      ILE  56   0.601   4.496  -4.675
  468   3HD1  ILE  56          3HD1      ILE  56   1.059   4.124  -3.012
  469    HA   PRO  57           HA       PRO  57  -5.302   2.517  -7.565
  470   1HB   PRO  57          1HB       PRO  57  -4.482   1.759 -10.062
  471   2HB   PRO  57          2HB       PRO  57  -4.157   3.342  -9.350
  472   1HG   PRO  57          1HG       PRO  57  -2.382   0.951  -9.546
  473   2HG   PRO  57          2HG       PRO  57  -1.986   2.664  -9.773
  474   1HD   PRO  57          1HD       PRO  57  -1.393   1.330  -7.503
  475   2HD   PRO  57          2HD       PRO  57  -1.820   3.053  -7.506
  476    H    ARG  58           H        ARG  58  -3.541  -0.538  -7.800
  477    HA   ARG  58           HA       ARG  58  -5.658  -1.978  -9.052
  478   1HB   ARG  58          1HB       ARG  58  -3.217  -2.648  -9.006
  479   2HB   ARG  58          2HB       ARG  58  -3.467  -3.148  -7.338
  480   1HG   ARG  58          1HG       ARG  58  -5.194  -4.725  -8.097
  481   2HG   ARG  58          2HG       ARG  58  -4.858  -4.257  -9.765
  482   1HD   ARG  58          1HD       ARG  58  -2.474  -4.945  -9.362
  483   2HD   ARG  58          2HD       ARG  58  -3.006  -5.623  -7.824
  484    HE   ARG  58           HE       ARG  58  -3.994  -6.525 -10.459
  485   1HH1  ARG  58          1HH1      ARG  58  -3.142  -7.145  -7.124
  486   2HH1  ARG  58          2HH1      ARG  58  -3.329  -8.866  -7.252
  487   1HH2  ARG  58          1HH2      ARG  58  -4.261  -8.792 -10.645
  488   2HH2  ARG  58          2HH2      ARG  58  -4.005  -9.802  -9.245
  489    H    MET  59           H        MET  59  -4.664  -1.483  -5.695
  490    HA   MET  59           HA       MET  59  -6.673  -3.185  -4.598
  491   1HB   MET  59          1HB       MET  59  -4.995  -0.981  -3.410
  492   2HB   MET  59          2HB       MET  59  -6.206  -1.843  -2.472
  493   1HG   MET  59          1HG       MET  59  -3.807  -3.049  -3.830
  494   2HG   MET  59          2HG       MET  59  -4.012  -2.779  -2.098
  495   1HE   MET  59          1HE       MET  59  -3.408  -5.317  -1.589
  496   2HE   MET  59          2HE       MET  59  -3.171  -5.596  -3.315
  497   3HE   MET  59          3HE       MET  59  -4.195  -6.685  -2.378
  498    H    HIS  60           H        HIS  60  -6.628   0.093  -5.747
  499    HA   HIS  60           HA       HIS  60  -9.027   0.990  -4.578
  500   1HB   HIS  60          1HB       HIS  60  -7.436   1.761  -6.966
  501   2HB   HIS  60          2HB       HIS  60  -9.127   2.251  -6.955
  502    HD1  HIS  60           HD1      HIS  60  -9.662   4.332  -5.731
  503    HD2  HIS  60           HD2      HIS  60  -5.990   2.749  -4.595
  504    HE1  HIS  60           HE1      HIS  60  -8.644   6.029  -4.174
  505    HE2  HIS  60           HE2      HIS  60  -6.322   5.161  -3.715
  506    H    ASP  61           H        ASP  61  -8.381  -0.888  -7.511
  507    HA   ASP  61           HA       ASP  61 -11.027  -1.147  -8.407
  508   1HB   ASP  61          1HB       ASP  61  -8.763  -3.154  -8.591
  509   2HB   ASP  61          2HB       ASP  61 -10.266  -3.250  -9.497
  510    H    LEU  62           H        LEU  62  -9.095  -3.234  -6.309
  511    HA   LEU  62           HA       LEU  62 -10.968  -5.176  -5.701
  512   1HB   LEU  62          1HB       LEU  62  -8.508  -5.113  -5.133
  513   2HB   LEU  62          2HB       LEU  62  -8.907  -4.059  -3.796
  514    HG   LEU  62           HG       LEU  62 -10.132  -6.793  -4.023
  515   1HD1  LEU  62          1HD1      LEU  62  -7.720  -7.096  -4.163
  516   2HD1  LEU  62          2HD1      LEU  62  -8.333  -7.637  -2.599
  517   3HD1  LEU  62          3HD1      LEU  62  -7.502  -6.087  -2.733
  518   1HD2  LEU  62          1HD2      LEU  62  -9.539  -4.985  -1.682
  519   2HD2  LEU  62          2HD2      LEU  62 -10.283  -6.581  -1.586
  520   3HD2  LEU  62          3HD2      LEU  62 -11.124  -5.264  -2.403
  521    H    LEU  63           H        LEU  63 -10.355  -2.105  -4.037
  522    HA   LEU  63           HA       LEU  63 -12.216  -2.515  -1.955
  523   1HB   LEU  63          1HB       LEU  63 -11.099   0.058  -3.065
  524   2HB   LEU  63          2HB       LEU  63 -11.962  -0.095  -1.546
  525    HG   LEU  63           HG       LEU  63  -9.340  -1.446  -2.178
  526   1HD1  LEU  63          1HD1      LEU  63  -8.366   0.178  -0.638
  527   2HD1  LEU  63          2HD1      LEU  63  -9.929   0.983  -0.498
  528   3HD1  LEU  63          3HD1      LEU  63  -9.081   0.965  -2.045
  529   1HD2  LEU  63          1HD2      LEU  63 -10.905  -1.216   0.387
  530   2HD2  LEU  63          2HD2      LEU  63  -9.292  -1.913   0.226
  531   3HD2  LEU  63          3HD2      LEU  63 -10.668  -2.681  -0.567
  532    H    ASP  64           H        ASP  64 -12.465  -0.622  -4.973
  533    HA   ASP  64           HA       ASP  64 -15.128   0.228  -4.375
  534   1HB   ASP  64          1HB       ASP  64 -13.335   0.491  -6.761
  535   2HB   ASP  64          2HB       ASP  64 -15.040   0.916  -6.889
  536    H    ASN  65           H        ASN  65 -13.793  -2.547  -5.951
  537    HA   ASN  65           HA       ASN  65 -16.306  -3.350  -7.123
  538   1HB   ASN  65          1HB       ASN  65 -13.690  -4.785  -6.684
  539   2HB   ASN  65          2HB       ASN  65 -15.112  -5.613  -7.305
  540   1HD2  ASN  65          1HD2      ASN  65 -12.553  -5.192  -8.558
  541   2HD2  ASN  65          2HD2      ASN  65 -12.861  -4.329 -10.028
  542    H    LYS  66           H        LYS  66 -15.252  -3.078  -4.048
  543    HA   LYS  66           HA       LYS  66 -15.898  -3.825  -2.027
  544   1HB   LYS  66          1HB       LYS  66 -18.271  -4.669  -3.668
  545   2HB   LYS  66          2HB       LYS  66 -18.198  -4.952  -1.933
  546   1HG   LYS  66          1HG       LYS  66 -17.852  -2.513  -1.606
  547   2HG   LYS  66          2HG       LYS  66 -18.100  -2.292  -3.340
  548   1HD   LYS  66          1HD       LYS  66 -20.340  -3.177  -3.171
  549   2HD   LYS  66          2HD       LYS  66 -20.095  -3.556  -1.466
  550   1HE   LYS  66          1HE       LYS  66 -21.389  -1.518  -1.695
  551   2HE   LYS  66          2HE       LYS  66 -19.812  -1.162  -0.990
  552   1HZ   LYS  66          1HZ       LYS  66 -19.049  -0.380  -3.122
  553   2HZ   LYS  66          2HZ       LYS  66 -20.468   0.439  -2.705
  554   3HZ   LYS  66          3HZ       LYS  66 -20.519  -0.804  -3.855
  555    H    GLN  67           H        GLN  67 -14.198  -5.489  -3.665
  556    HA   GLN  67           HA       GLN  67 -14.849  -8.224  -3.230
  557   1HB   GLN  67          1HB       GLN  67 -12.269  -6.794  -3.860
  558   2HB   GLN  67          2HB       GLN  67 -12.357  -8.539  -3.657
  559   1HG   GLN  67          1HG       GLN  67 -13.849  -6.912  -5.702
  560   2HG   GLN  67          2HG       GLN  67 -12.442  -7.931  -6.002
  561   1HE2  GLN  67          1HE2      GLN  67 -12.668 -10.176  -5.895
  562   2HE2  GLN  67          2HE2      GLN  67 -14.217 -10.947  -5.985
  563    HA   PRO  68           HA       PRO  68 -13.721  -8.833   1.016
  564   1HB   PRO  68          1HB       PRO  68 -12.399 -11.246   0.794
  565   2HB   PRO  68          2HB       PRO  68 -14.153 -11.069   0.896
  566   1HG   PRO  68          1HG       PRO  68 -12.421 -11.469  -1.506
  567   2HG   PRO  68          2HG       PRO  68 -14.010 -12.166  -1.138
  568   1HD   PRO  68          1HD       PRO  68 -13.729 -10.120  -2.856
  569   2HD   PRO  68          2HD       PRO  68 -15.139 -10.248  -1.782
  570    H    LEU  69           H        LEU  69 -11.982  -8.466   2.352
  571    HA   LEU  69           HA       LEU  69  -9.541  -7.617   1.037
  572   1HB   LEU  69          1HB       LEU  69 -10.415  -7.471   3.925
  573   2HB   LEU  69          2HB       LEU  69  -8.914  -6.811   3.304
  574    HG   LEU  69           HG       LEU  69 -11.683  -5.920   2.493
  575   1HD1  LEU  69          1HD1      LEU  69 -11.140  -5.270   4.771
  576   2HD1  LEU  69          2HD1      LEU  69 -11.139  -3.868   3.702
  577   3HD1  LEU  69          3HD1      LEU  69  -9.612  -4.580   4.225
  578   1HD2  LEU  69          1HD2      LEU  69 -10.529  -4.118   1.320
  579   2HD2  LEU  69          2HD2      LEU  69 -10.058  -5.693   0.683
  580   3HD2  LEU  69          3HD2      LEU  69  -8.971  -4.817   1.761
  581    HA   PRO  70           HA       PRO  70  -7.488 -11.511   1.779
  582   1HB   PRO  70          1HB       PRO  70  -5.064  -9.830   1.496
  583   2HB   PRO  70          2HB       PRO  70  -5.534 -11.284   0.610
  584   1HG   PRO  70          1HG       PRO  70  -5.650  -8.859  -0.521
  585   2HG   PRO  70          2HG       PRO  70  -6.853 -10.112  -0.879
  586   1HD   PRO  70          1HD       PRO  70  -7.080  -7.704   0.870
  587   2HD   PRO  70          2HD       PRO  70  -8.296  -8.454  -0.183
  588    H    GLY  71           H        GLY  71  -7.699 -12.029   3.893
  589   1HA   GLY  71          1HA       GLY  71  -6.681 -10.355   6.005
  590   2HA   GLY  71          2HA       GLY  71  -7.458 -11.919   6.192
  591    H    ALA  72           H        ALA  72  -4.711 -11.372   4.132
  592    HA   ALA  72           HA       ALA  72  -2.820 -12.382   6.079
  593   1HB   ALA  72          1HB       ALA  72  -3.762 -14.438   5.137
  594   2HB   ALA  72          2HB       ALA  72  -2.079 -14.232   4.652
  595   3HB   ALA  72          3HB       ALA  72  -3.375 -13.873   3.511
  596    H    PHE  73           H        PHE  73  -3.462 -10.030   4.313
  597    HA   PHE  73           HA       PHE  73  -1.202  -9.943   2.490
  598   1HB   PHE  73          1HB       PHE  73  -3.400  -9.005   1.824
  599   2HB   PHE  73          2HB       PHE  73  -3.282  -7.837   3.133
  600    HD1  PHE  73           HD1      PHE  73  -1.880  -8.864  -0.105
  601    HD2  PHE  73           HD2      PHE  73  -1.958  -5.872   2.919
  602    HE1  PHE  73           HE1      PHE  73  -0.719  -7.308  -1.617
  603    HE2  PHE  73           HE2      PHE  73  -0.799  -4.313   1.414
  604    HZ   PHE  73           HZ       PHE  73  -0.178  -5.031  -0.856
  605    H    ALA  74           H        ALA  74   0.723  -9.422   3.247
  606    HA   ALA  74           HA       ALA  74   0.994  -7.162   5.057
  607   1HB   ALA  74          1HB       ALA  74   2.204  -9.858   5.669
  608   2HB   ALA  74          2HB       ALA  74   0.887  -9.088   6.556
  609   3HB   ALA  74          3HB       ALA  74   2.496  -8.366   6.563
  610    H    VAL  75           H        VAL  75   2.156  -5.888   3.756
  611    HA   VAL  75           HA       VAL  75   4.273  -7.078   2.124
  612    HB   VAL  75           HB       VAL  75   4.457  -4.815   1.092
  613   1HG1  VAL  75          1HG1      VAL  75   1.731  -6.095   1.057
  614   2HG1  VAL  75          2HG1      VAL  75   3.115  -6.552   0.063
  615   3HG1  VAL  75          3HG1      VAL  75   2.353  -4.977  -0.156
  616   1HG2  VAL  75          1HG2      VAL  75   3.620  -3.474   2.946
  617   2HG2  VAL  75          2HG2      VAL  75   2.031  -4.220   2.782
  618   3HG2  VAL  75          3HG2      VAL  75   2.661  -3.194   1.493
  619    H    ALA  76           H        ALA  76   3.865  -5.175   4.986
  620    HA   ALA  76           HA       ALA  76   6.290  -3.827   5.119
  621   1HB   ALA  76          1HB       ALA  76   4.441  -3.530   6.713
  622   2HB   ALA  76          2HB       ALA  76   5.996  -3.759   7.513
  623   3HB   ALA  76          3HB       ALA  76   4.839  -5.089   7.437
  624    HA   PRO  77           HA       PRO  77   8.274  -7.783   7.269
  625   1HB   PRO  77          1HB       PRO  77   7.185 -10.134   6.292
  626   2HB   PRO  77          2HB       PRO  77   6.843  -9.439   7.878
  627   1HG   PRO  77          1HG       PRO  77   5.270  -9.254   5.347
  628   2HG   PRO  77          2HG       PRO  77   4.698  -9.473   7.012
  629   1HD   PRO  77          1HD       PRO  77   4.542  -7.094   5.810
  630   2HD   PRO  77          2HD       PRO  77   4.964  -7.222   7.531
  631    H    TYR  78           H        TYR  78   6.981  -7.703   4.004
  632    HA   TYR  78           HA       TYR  78   9.211  -9.159   2.897
  633   1HB   TYR  78          1HB       TYR  78   6.976  -9.277   1.835
  634   2HB   TYR  78          2HB       TYR  78   7.075  -7.556   1.471
  635    HD1  TYR  78           HD1      TYR  78   8.491 -10.871   0.689
  636    HD2  TYR  78           HD2      TYR  78   8.379  -6.754  -0.383
  637    HE1  TYR  78           HE1      TYR  78   9.655 -11.390  -1.414
  638    HE2  TYR  78           HE2      TYR  78   9.545  -7.268  -2.486
  639    HH   TYR  78           HH       TYR  78  11.061  -9.043  -3.358
  640    H    TYR  79           H        TYR  79   8.056  -5.783   2.829
  641    HA   TYR  79           HA       TYR  79  10.319  -4.811   1.421
  642   1HB   TYR  79          1HB       TYR  79   8.142  -3.478   3.002
  643   2HB   TYR  79          2HB       TYR  79   9.501  -2.547   2.379
  644    HD1  TYR  79           HD2      TYR  79   9.905  -2.481  -0.089
  645    HD2  TYR  79           HD1      TYR  79   6.365  -4.157   1.567
  646    HE1  TYR  79           HE2      TYR  79   8.811  -2.317  -2.282
  647    HE2  TYR  79           HE1      TYR  79   5.260  -4.002  -0.625
  648    HH   TYR  79           HH       TYR  79   6.972  -3.321  -3.508
  649    H    GLU  80           H        GLU  80   9.788  -5.615   4.707
  650    HA   GLU  80           HA       GLU  80  11.834  -4.275   6.012
  651   1HB   GLU  80          1HB       GLU  80  10.278  -5.713   7.183
  652   2HB   GLU  80          2HB       GLU  80  10.845  -7.120   6.301
  653   1HG   GLU  80          1HG       GLU  80  11.675  -7.112   8.573
  654   2HG   GLU  80          2HG       GLU  80  12.999  -6.970   7.418
  655    H    MET  81           H        MET  81  11.956  -6.865   3.684
  656    HA   MET  81           HA       MET  81  14.878  -7.067   3.971
  657   1HB   MET  81          1HB       MET  81  12.997  -8.858   2.423
  658   2HB   MET  81          2HB       MET  81  14.708  -9.137   2.708
  659   1HG   MET  81          1HG       MET  81  14.299  -9.419   5.074
  660   2HG   MET  81          2HG       MET  81  12.588  -9.053   4.841
  661   1HE   MET  81          1HE       MET  81  12.086 -10.553   2.035
  662   2HE   MET  81          2HE       MET  81  10.944 -10.610   3.378
  663   3HE   MET  81          3HE       MET  81  11.468 -12.106   2.602
  664    H    ALA  82           H        ALA  82  12.281  -6.284   1.783
  665    HA   ALA  82           HA       ALA  82  13.880  -6.298  -0.588
  666   1HB   ALA  82          1HB       ALA  82  11.126  -5.163  -0.159
  667   2HB   ALA  82          2HB       ALA  82  11.483  -6.839  -0.576
  668   3HB   ALA  82          3HB       ALA  82  11.877  -5.546  -1.705
  669    H    LEU  83           H        LEU  83  13.104  -3.902   1.799
  670    HA   LEU  83           HA       LEU  83  14.034  -1.783  -0.008
  671   1HB   LEU  83          1HB       LEU  83  11.823  -1.504   1.116
  672   2HB   LEU  83          2HB       LEU  83  12.651  -1.497   2.660
  673    HG   LEU  83           HG       LEU  83  13.778   0.569   2.118
  674   1HD1  LEU  83          1HD1      LEU  83  12.424   0.331  -0.566
  675   2HD1  LEU  83          2HD1      LEU  83  14.153   0.206  -0.251
  676   3HD1  LEU  83          3HD1      LEU  83  13.320   1.740   0.001
  677   1HD2  LEU  83          1HD2      LEU  83  11.532   0.745   3.046
  678   2HD2  LEU  83          2HD2      LEU  83  10.842   0.689   1.425
  679   3HD2  LEU  83          3HD2      LEU  83  11.840   2.059   1.912
  680    H    ALA  84           H        ALA  84  15.935  -0.871   0.274
  681    HA   ALA  84           HA       ALA  84  17.928  -2.069   1.768
  682   1HB   ALA  84          1HB       ALA  84  18.323  -0.685  -0.218
  683   2HB   ALA  84          2HB       ALA  84  19.334  -0.195   1.142
  684   3HB   ALA  84          3HB       ALA  84  17.911   0.755   0.714
  685    H    THR  85           H        THR  85  18.634  -1.948   3.728
  686    HA   THR  85           HA       THR  85  17.075  -0.727   5.741
  687    HB   THR  85           HB       THR  85  19.790  -1.634   6.461
  688    HG1  THR  85           HG1      THR  85  19.502  -3.116   4.831
  689   1HG2  THR  85          1HG2      THR  85  18.497  -2.962   8.082
  690   2HG2  THR  85          2HG2      THR  85  17.003  -2.414   7.320
  691   3HG2  THR  85          3HG2      THR  85  18.057  -1.255   8.132
  692    H    ASP  86           H        ASP  86  20.115   0.118   4.201
  693    HA   ASP  86           HA       ASP  86  20.891   2.089   6.107
  694   1HB   ASP  86          1HB       ASP  86  22.708   2.514   4.670
  695   2HB   ASP  86          2HB       ASP  86  22.387   0.801   4.467
  696    H    HIS  87           H        HIS  87  18.647   2.019   3.563
  697    HA   HIS  87           HA       HIS  87  18.884   4.752   2.751
  698   1HB   HIS  87          1HB       HIS  87  18.012   3.002   1.235
  699   2HB   HIS  87          2HB       HIS  87  16.615   2.805   2.288
  700    HD1  HIS  87           HD1      HIS  87  18.194   5.319  -0.049
  701    HD2  HIS  87           HD2      HIS  87  14.576   4.619   1.890
  702    HE1  HIS  87           HE1      HIS  87  16.589   7.015  -0.971
  703    HE2  HIS  87           HE2      HIS  87  14.404   6.567   0.193
  704    HA   PRO  88           HA       PRO  88  16.746   6.468   6.232
  705   1HB   PRO  88          1HB       PRO  88  16.323   8.937   5.110
  706   2HB   PRO  88          2HB       PRO  88  17.835   8.438   5.873
  707   1HG   PRO  88          1HG       PRO  88  17.110   8.516   2.974
  708   2HG   PRO  88          2HG       PRO  88  18.632   8.969   3.763
  709   1HD   PRO  88          1HD       PRO  88  18.337   6.626   2.475
  710   2HD   PRO  88          2HD       PRO  88  19.344   6.777   3.929
  711    H    GLN  89           H        GLN  89  14.685   7.250   6.789
  712    HA   GLN  89           HA       GLN  89  12.438   7.416   6.735
  713   1HB   GLN  89          1HB       GLN  89  12.869   7.851   3.783
  714   2HB   GLN  89          2HB       GLN  89  11.328   8.064   4.603
  715   1HG   GLN  89          1HG       GLN  89  12.401   9.772   6.049
  716   2HG   GLN  89          2HG       GLN  89  13.863   9.610   5.077
  717   1HE2  GLN  89          1HE2      GLN  89  12.088  11.901   5.529
  718   2HE2  GLN  89          2HE2      GLN  89  11.594  12.420   3.950
  719    H    ARG  90           H        ARG  90  13.994   4.842   5.888
  720    HA   ARG  90           HA       ARG  90  12.147   3.258   4.446
  721   1HB   ARG  90          1HB       ARG  90  14.605   2.739   4.960
  722   2HB   ARG  90          2HB       ARG  90  14.048   2.213   6.545
  723   1HG   ARG  90          1HG       ARG  90  12.527   0.612   5.393
  724   2HG   ARG  90          2HG       ARG  90  13.292   1.064   3.871
  725   1HD   ARG  90          1HD       ARG  90  14.469  -0.829   4.458
  726   2HD   ARG  90          2HD       ARG  90  15.495   0.457   5.094
  727    HE   ARG  90           HE       ARG  90  14.393  -0.002   7.294
  728   1HH1  ARG  90          1HH1      ARG  90  14.699  -2.463   4.818
  729   2HH1  ARG  90          2HH1      ARG  90  14.499  -3.787   5.925
  730   1HH2  ARG  90          1HH2      ARG  90  14.141  -1.742   8.754
  731   2HH2  ARG  90          2HH2      ARG  90  14.173  -3.379   8.164
  732    H    ALA  91           H        ALA  91  12.689   3.892   7.862
  733    HA   ALA  91           HA       ALA  91  10.768   2.108   8.896
  734   1HB   ALA  91          1HB       ALA  91  11.764   4.685  10.103
  735   2HB   ALA  91          2HB       ALA  91  12.571   3.121  10.228
  736   3HB   ALA  91          3HB       ALA  91  10.983   3.356  10.960
  737    H    LEU  92           H        LEU  92  10.526   5.355   7.612
  738    HA   LEU  92           HA       LEU  92   7.907   5.902   8.589
  739   1HB   LEU  92          1HB       LEU  92   9.387   7.054   6.224
  740   2HB   LEU  92          2HB       LEU  92   7.888   7.688   6.872
  741    HG   LEU  92           HG       LEU  92  10.532   7.591   8.324
  742   1HD1  LEU  92          1HD1      LEU  92  10.508   9.231   6.532
  743   2HD1  LEU  92          2HD1      LEU  92  10.457  10.029   8.104
  744   3HD1  LEU  92          3HD1      LEU  92   8.989   9.892   7.137
  745   1HD2  LEU  92          1HD2      LEU  92   7.890   8.787   9.155
  746   2HD2  LEU  92          2HD2      LEU  92   9.411   8.913  10.039
  747   3HD2  LEU  92          3HD2      LEU  92   8.631   7.343   9.844
  748    H    ILE  93           H        ILE  93   9.194   4.635   5.549
  749    HA   ILE  93           HA       ILE  93   6.712   4.366   4.230
  750    HB   ILE  93           HB       ILE  93   9.217   2.721   3.811
  751   1HG1  ILE  93          1HG1      ILE  93   8.326   5.294   2.485
  752   2HG1  ILE  93          2HG1      ILE  93   9.651   5.137   3.635
  753   1HG2  ILE  93          1HG2      ILE  93   8.339   2.357   1.555
  754   2HG2  ILE  93          2HG2      ILE  93   6.883   3.259   1.976
  755   3HG2  ILE  93          3HG2      ILE  93   7.239   1.734   2.784
  756   1HD1  ILE  93          1HD1      ILE  93   9.517   3.906   0.892
  757   2HD1  ILE  93          2HD1      ILE  93  10.834   3.690   2.045
  758   3HD1  ILE  93          3HD1      ILE  93  10.496   5.288   1.380
  759    H    LEU  94           H        LEU  94   8.662   2.090   6.132
  760    HA   LEU  94           HA       LEU  94   6.975  -0.136   5.863
  761   1HB   LEU  94          1HB       LEU  94   8.891   0.617   8.064
  762   2HB   LEU  94          2HB       LEU  94   8.085  -0.937   7.967
  763    HG   LEU  94           HG       LEU  94  10.000   0.166   5.909
  764   1HD1  LEU  94          1HD1      LEU  94  11.521  -1.561   6.712
  765   2HD1  LEU  94          2HD1      LEU  94  10.355  -2.021   7.954
  766   3HD1  LEU  94          3HD1      LEU  94  11.109  -0.427   7.997
  767   1HD2  LEU  94          1HD2      LEU  94   8.298  -1.286   4.929
  768   2HD2  LEU  94          2HD2      LEU  94   8.674  -2.536   6.116
  769   3HD2  LEU  94          3HD2      LEU  94   9.882  -2.063   4.921
  770    H    ALA  95           H        ALA  95   6.971   2.503   8.216
  771    HA   ALA  95           HA       ALA  95   5.090   1.449   9.996
  772   1HB   ALA  95          1HB       ALA  95   6.452   3.418  10.494
  773   2HB   ALA  95          2HB       ALA  95   4.735   3.736  10.743
  774   3HB   ALA  95          3HB       ALA  95   5.545   4.345   9.299
  775    H    GLU  96           H        GLU  96   4.614   3.505   7.126
  776    HA   GLU  96           HA       GLU  96   1.798   3.645   7.333
  777   1HB   GLU  96          1HB       GLU  96   3.363   5.071   5.891
  778   2HB   GLU  96          2HB       GLU  96   3.340   3.741   4.745
  779   1HG   GLU  96          1HG       GLU  96   1.756   5.405   4.067
  780   2HG   GLU  96          2HG       GLU  96   0.891   3.959   4.588
  781    H    LEU  97           H        LEU  97   3.995   1.385   5.768
  782    HA   LEU  97           HA       LEU  97   2.061  -0.170   4.434
  783   1HB   LEU  97          1HB       LEU  97   4.777  -0.942   5.497
  784   2HB   LEU  97          2HB       LEU  97   3.805  -1.945   4.437
  785    HG   LEU  97           HG       LEU  97   4.935   0.768   3.740
  786   1HD1  LEU  97          1HD1      LEU  97   6.368  -0.493   2.199
  787   2HD1  LEU  97          2HD1      LEU  97   5.719  -2.000   2.844
  788   3HD1  LEU  97          3HD1      LEU  97   6.661  -0.931   3.882
  789   1HD2  LEU  97          1HD2      LEU  97   3.407  -1.212   2.053
  790   2HD2  LEU  97          2HD2      LEU  97   4.144   0.283   1.480
  791   3HD2  LEU  97          3HD2      LEU  97   2.805   0.344   2.626
  792    H    GLU  98           H        GLU  98   3.583  -0.548   7.629
  793    HA   GLU  98           HA       GLU  98   2.266  -2.901   8.381
  794   1HB   GLU  98          1HB       GLU  98   3.309  -0.634  10.078
  795   2HB   GLU  98          2HB       GLU  98   2.712  -2.149  10.738
  796   1HG   GLU  98          1HG       GLU  98   4.455  -3.327   9.398
  797   2HG   GLU  98          2HG       GLU  98   5.104  -1.746   8.964
  798    H    LYS  99           H        LYS  99   1.214   0.420   8.397
  799    HA   LYS  99           HA       LYS  99  -1.098   0.004  10.023
  800   1HB   LYS  99          1HB       LYS  99   0.085   2.220   9.491
  801   2HB   LYS  99          2HB       LYS  99  -0.768   2.170   7.956
  802   1HG   LYS  99          1HG       LYS  99  -2.898   1.953   9.340
  803   2HG   LYS  99          2HG       LYS  99  -1.902   2.442  10.714
  804   1HD   LYS  99          1HD       LYS  99  -2.328   3.986   8.161
  805   2HD   LYS  99          2HD       LYS  99  -2.997   4.374   9.745
  806   1HE   LYS  99          1HE       LYS  99  -0.911   4.991  10.604
  807   2HE   LYS  99          2HE       LYS  99  -0.037   4.171   9.306
  808   1HZ   LYS  99          1HZ       LYS  99  -1.817   6.481   8.792
  809   2HZ   LYS  99          2HZ       LYS  99  -0.623   5.826   7.773
  810   3HZ   LYS  99          3HZ       LYS  99  -0.178   6.680   9.173
  811    H    LEU 100           H        LEU 100  -0.453   0.093   6.546
  812    HA   LEU 100           HA       LEU 100  -3.112  -0.351   5.688
  813   1HB   LEU 100          1HB       LEU 100  -1.334   0.491   4.211
  814   2HB   LEU 100          2HB       LEU 100  -0.499  -1.045   4.335
  815    HG   LEU 100           HG       LEU 100  -2.436  -2.142   3.224
  816   1HD1  LEU 100          1HD1      LEU 100  -3.394   0.687   2.820
  817   2HD1  LEU 100          2HD1      LEU 100  -4.156  -0.523   3.852
  818   3HD1  LEU 100          3HD1      LEU 100  -4.101  -0.763   2.106
  819   1HD2  LEU 100          1HD2      LEU 100  -1.186   0.137   1.698
  820   2HD2  LEU 100          2HD2      LEU 100  -1.951  -1.286   0.990
  821   3HD2  LEU 100          3HD2      LEU 100  -0.477  -1.459   1.942
  822    H    ASP 101           H        ASP 101  -0.364  -2.543   6.171
  823    HA   ASP 101           HA       ASP 101  -1.639  -4.955   5.596
  824   1HB   ASP 101          1HB       ASP 101   0.586  -4.375   7.567
  825   2HB   ASP 101          2HB       ASP 101   0.079  -5.995   7.111
  826    H    ALA 102           H        ALA 102  -1.638  -2.993   8.500
  827    HA   ALA 102           HA       ALA 102  -2.827  -4.864  10.246
  828   1HB   ALA 102          1HB       ALA 102  -1.701  -2.845  11.042
  829   2HB   ALA 102          2HB       ALA 102  -3.348  -2.953  11.663
  830   3HB   ALA 102          3HB       ALA 102  -2.977  -1.854  10.335
  831    H    LEU 103           H        LEU 103  -4.139  -2.780   7.785
  832    HA   LEU 103           HA       LEU 103  -6.859  -3.003   8.692
  833   1HB   LEU 103          1HB       LEU 103  -5.710  -2.088   6.054
  834   2HB   LEU 103          2HB       LEU 103  -7.410  -2.008   6.476
  835    HG   LEU 103           HG       LEU 103  -5.178  -0.527   7.869
  836   1HD1  LEU 103          1HD1      LEU 103  -6.233   1.465   6.913
  837   2HD1  LEU 103          2HD1      LEU 103  -7.372   0.438   6.041
  838   3HD1  LEU 103          3HD1      LEU 103  -5.651   0.367   5.661
  839   1HD2  LEU 103          1HD2      LEU 103  -6.975   0.602   9.087
  840   2HD2  LEU 103          2HD2      LEU 103  -6.961  -1.131   9.414
  841   3HD2  LEU 103          3HD2      LEU 103  -8.160  -0.451   8.314
  842    H    PHE 104           H        PHE 104  -4.771  -4.672   6.429
  843    HA   PHE 104           HA       PHE 104  -6.869  -6.361   5.417
  844   1HB   PHE 104          1HB       PHE 104  -3.865  -6.441   5.186
  845   2HB   PHE 104          2HB       PHE 104  -4.891  -7.704   4.513
  846    HD1  PHE 104           HD2      PHE 104  -6.413  -7.213   2.670
  847    HD2  PHE 104           HD1      PHE 104  -3.716  -4.281   4.159
  848    HE1  PHE 104           HE2      PHE 104  -6.744  -5.882   0.632
  849    HE2  PHE 104           HE1      PHE 104  -4.043  -2.941   2.121
  850    HZ   PHE 104           HZ       PHE 104  -5.558  -3.744   0.352
  851    H    ALA 105           H        ALA 105  -4.256  -6.692   7.782
  852    HA   ALA 105           HA       ALA 105  -5.002  -9.385   8.488
  853   1HB   ALA 105          1HB       ALA 105  -2.678  -8.657   8.645
  854   2HB   ALA 105          2HB       ALA 105  -3.285  -9.175  10.218
  855   3HB   ALA 105          3HB       ALA 105  -3.128  -7.457   9.856
  856    H    ASP 106           H        ASP 106  -6.562  -6.631   8.958
  857    HA   ASP 106           HA       ASP 106  -7.278  -6.731  11.712
  858   1HB   ASP 106          1HB       ASP 106  -7.565  -4.688  10.407
  859   2HB   ASP 106          2HB       ASP 106  -8.685  -5.507   9.325
  860    H    ASP 107           H        ASP 107  -8.172  -8.462   8.897
  861    HA   ASP 107           HA       ASP 107 -10.142  -9.970  10.474
  862   1HB   ASP 107          1HB       ASP 107 -11.151  -8.507   8.626
  863   2HB   ASP 107          2HB       ASP 107 -10.349  -9.579   7.483
  864    H    ALA 108           H        ALA 108 -10.204 -12.222   9.990
  865    HA   ALA 108           HA       ALA 108  -7.899 -13.222   8.450
  866   1HB   ALA 108          1HB       ALA 108  -8.882 -14.325  11.084
  867   2HB   ALA 108          2HB       ALA 108  -7.393 -13.410  10.842
  868   3HB   ALA 108          3HB       ALA 108  -7.582 -14.998  10.100
  869    H    SER 109           H        SER 109 -10.825 -14.340  10.120
  870    HA   SER 109           HA       SER 109 -11.518 -15.969   7.799
  871   1HB   SER 109          1HB       SER 109 -12.866 -15.702  10.506
  872   2HB   SER 109          2HB       SER 109 -13.325 -16.842   9.238
  873    HG   SER 109           HG       SER 109 -10.840 -17.308   9.498
  874    H    LEU 110           H        LEU 110 -12.724 -15.090   6.248
  875    HA   LEU 110           HA       LEU 110 -13.481 -12.364   6.458
  876   1HB   LEU 110          1HB       LEU 110 -14.017 -14.391   4.299
  877   2HB   LEU 110          2HB       LEU 110 -14.329 -12.672   4.149
  878    HG   LEU 110           HG       LEU 110 -11.619 -13.935   4.571
  879   1HD1  LEU 110          1HD1      LEU 110 -11.166 -13.192   2.294
  880   2HD1  LEU 110          2HD1      LEU 110 -12.824 -12.608   2.148
  881   3HD1  LEU 110          3HD1      LEU 110 -12.509 -14.333   2.339
  882   1HD2  LEU 110          1HD2      LEU 110 -10.750 -11.680   4.195
  883   2HD2  LEU 110          2HD2      LEU 110 -11.775 -11.747   5.628
  884   3HD2  LEU 110          3HD2      LEU 110 -12.398 -11.055   4.130
  885    H    GLU 111           H        GLU 111 -15.032 -14.741   7.874
  886    HA   GLU 111           HA       GLU 111 -17.747 -14.253   7.261
  887   1HB   GLU 111          1HB       GLU 111 -16.451 -15.151   9.842
  888   2HB   GLU 111          2HB       GLU 111 -18.180 -15.196   9.516
  889   1HG   GLU 111          1HG       GLU 111 -17.766 -16.733   7.646
  890   2HG   GLU 111          2HG       GLU 111 -16.048 -16.721   8.040
  891    H    HIS 112           H        HIS 112 -15.331 -12.503   9.019
  892    HA   HIS 112           HA       HIS 112 -17.064 -10.767  10.466
  893   1HB   HIS 112          1HB       HIS 112 -14.254 -10.300   9.425
  894   2HB   HIS 112          2HB       HIS 112 -15.102  -9.219  10.522
  895    HD1  HIS 112           HD1      HIS 112 -14.140  -9.469  12.782
  896    HD2  HIS 112           HD2      HIS 112 -14.392 -13.116  10.788
  897    HE1  HIS 112           HE1      HIS 112 -13.276 -11.198  14.399
  898    HE2  HIS 112           HE2      HIS 112 -13.417 -13.394  13.163
  899    H    HIS 113           H        HIS 113 -15.505 -10.632   7.305
  900    HA   HIS 113           HA       HIS 113 -16.633  -8.128   6.564
  901   1HB   HIS 113          1HB       HIS 113 -14.531  -9.195   5.603
  902   2HB   HIS 113          2HB       HIS 113 -15.600 -10.230   4.659
  903    HD1  HIS 113           HD1      HIS 113 -16.224  -9.336   2.424
  904    HD2  HIS 113           HD2      HIS 113 -15.119  -6.330   5.077
  905    HE1  HIS 113           HE1      HIS 113 -16.310  -7.200   1.105
  906    HE2  HIS 113           HE2      HIS 113 -15.998  -5.396   2.838
  907    H    HIS 114           H        HIS 114 -17.905 -11.285   6.697
  908    HA   HIS 114           HA       HIS 114 -19.944 -10.950   4.728
  909   1HB   HIS 114          1HB       HIS 114 -19.566 -12.828   7.036
  910   2HB   HIS 114          2HB       HIS 114 -21.130 -12.735   6.237
  911    HD1  HIS 114           HD1      HIS 114 -19.716 -15.362   6.091
  912    HD2  HIS 114           HD2      HIS 114 -19.147 -12.343   3.288
  913    HE1  HIS 114           HE1      HIS 114 -18.868 -16.510   4.017
  914    HE2  HIS 114           HE2      HIS 114 -18.746 -14.687   2.276
  915    H    HIS 115           H        HIS 115 -19.483  -9.915   7.986
  916    HA   HIS 115           HA       HIS 115 -22.256  -9.229   8.406
  917   1HB   HIS 115          1HB       HIS 115 -19.750  -8.742  10.016
  918   2HB   HIS 115          2HB       HIS 115 -21.319  -8.093  10.484
  919    HD1  HIS 115           HD1      HIS 115 -19.497 -11.369  10.072
  920    HD2  HIS 115           HD2      HIS 115 -23.044  -9.897  11.661
  921    HE1  HIS 115           HE1      HIS 115 -20.502 -13.275  11.360
  922    HE2  HIS 115           HE2      HIS 115 -22.759 -12.434  12.084
  923    H    HIS 116           H        HIS 116 -19.213  -7.472   7.855
  924    HA   HIS 116           HA       HIS 116 -20.864  -5.291   6.772
  925   1HB   HIS 116          1HB       HIS 116 -19.743  -4.558   8.852
  926   2HB   HIS 116          2HB       HIS 116 -18.183  -4.983   8.150
  927    HD1  HIS 116           HD1      HIS 116 -20.642  -2.262   8.344
  928    HD2  HIS 116           HD2      HIS 116 -17.464  -3.322   5.876
  929    HE1  HIS 116           HE1      HIS 116 -20.123  -0.213   6.984
  930    HE2  HIS 116           HE2      HIS 116 -18.402  -0.983   5.319
  931    H    HIS 117           H        HIS 117 -20.668  -5.181   4.663
  932    HA   HIS 117           HA       HIS 117 -18.329  -6.316   3.362
  933   1HB   HIS 117          1HB       HIS 117 -20.949  -5.265   2.288
  934   2HB   HIS 117          2HB       HIS 117 -19.632  -5.810   1.255
  935    HD1  HIS 117           HD1      HIS 117 -19.793  -8.168   0.567
  936    HD2  HIS 117           HD2      HIS 117 -21.756  -7.472   4.168
  937    HE1  HIS 117           HE1      HIS 117 -20.865 -10.357   1.192
  938    HE2  HIS 117           HE2      HIS 117 -22.222  -9.848   3.263
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1 -19.855  -3.162   4.327
    2   2H    MET   1          2H        MET   1 -19.702  -1.521   4.708
    3   3H    MET   1          3H        MET   1 -18.668  -2.650   5.428
    4    HA   MET   1           HA       MET   1 -17.649  -3.151   3.344
    5   1HB   MET   1          1HB       MET   1 -19.681  -1.193   2.288
    6   2HB   MET   1          2HB       MET   1 -18.221  -1.598   1.397
    7   1HG   MET   1          1HG       MET   1 -18.895  -3.949   1.374
    8   2HG   MET   1          2HG       MET   1 -20.368  -3.527   2.244
    9   1HE   MET   1          1HE       MET   1 -21.657  -4.852   0.284
   10   2HE   MET   1          2HE       MET   1 -20.159  -5.112  -0.609
   11   3HE   MET   1          3HE       MET   1 -21.558  -4.406  -1.420
   12    H    THR   2           H        THR   2 -18.256  -0.548   5.366
   13    HA   THR   2           HA       THR   2 -16.738   1.522   4.237
   14    HB   THR   2           HB       THR   2 -17.035   1.104   7.202
   15    HG1  THR   2           HG1      THR   2 -19.122   2.315   6.722
   16   1HG2  THR   2          1HG2      THR   2 -17.299   3.556   7.185
   17   2HG2  THR   2          2HG2      THR   2 -17.084   3.558   5.434
   18   3HG2  THR   2          3HG2      THR   2 -15.758   3.059   6.485
   19    H    THR   3           H        THR   3 -15.766  -1.393   5.746
   20    HA   THR   3           HA       THR   3 -13.256  -0.775   6.763
   21    HB   THR   3           HB       THR   3 -13.950  -3.305   5.255
   22    HG1  THR   3           HG1      THR   3 -14.222  -3.182   8.032
   23   1HG2  THR   3          1HG2      THR   3 -11.586  -3.086   5.859
   24   2HG2  THR   3          2HG2      THR   3 -12.362  -4.349   6.813
   25   3HG2  THR   3          3HG2      THR   3 -12.035  -2.773   7.534
   26    H    HIS   4           H        HIS   4 -14.310  -1.222   3.424
   27    HA   HIS   4           HA       HIS   4 -11.657  -1.395   2.340
   28   1HB   HIS   4          1HB       HIS   4 -14.188  -0.646   0.864
   29   2HB   HIS   4          2HB       HIS   4 -12.692  -1.248   0.163
   30    HD1  HIS   4           HD1      HIS   4 -15.922  -2.354   0.826
   31    HD2  HIS   4           HD2      HIS   4 -12.170  -4.019   1.466
   32    HE1  HIS   4           HE1      HIS   4 -16.314  -4.827   1.073
   33    HE2  HIS   4           HE2      HIS   4 -14.058  -5.785   1.656
   34    H    ASP   5           H        ASP   5 -13.971   1.139   2.949
   35    HA   ASP   5           HA       ASP   5 -12.886   3.180   1.377
   36   1HB   ASP   5          1HB       ASP   5 -14.442   3.297   3.966
   37   2HB   ASP   5          2HB       ASP   5 -14.041   4.718   3.006
   38    H    ARG   6           H        ARG   6 -12.178   2.206   4.709
   39    HA   ARG   6           HA       ARG   6 -10.333   4.342   5.143
   40   1HB   ARG   6          1HB       ARG   6 -10.785   1.771   6.652
   41   2HB   ARG   6          2HB       ARG   6  -9.691   3.044   7.181
   42   1HG   ARG   6          1HG       ARG   6 -11.562   4.612   7.269
   43   2HG   ARG   6          2HG       ARG   6 -12.657   3.328   6.754
   44   1HD   ARG   6          1HD       ARG   6 -12.058   2.048   8.770
   45   2HD   ARG   6          2HD       ARG   6 -11.031   3.385   9.292
   46    HE   ARG   6           HE       ARG   6 -12.999   4.738   9.529
   47   1HH1  ARG   6          1HH1      ARG   6 -13.548   1.318   9.034
   48   2HH1  ARG   6          2HH1      ARG   6 -15.180   1.353   9.633
   49   1HH2  ARG   6          1HH2      ARG   6 -15.143   4.810  10.308
   50   2HH2  ARG   6          2HH2      ARG   6 -16.095   3.356  10.363
   51    H    VAL   7           H        VAL   7 -10.063   1.089   3.898
   52    HA   VAL   7           HA       VAL   7  -7.224   0.947   3.942
   53    HB   VAL   7           HB       VAL   7  -9.162  -0.418   2.054
   54   1HG1  VAL   7          1HG1      VAL   7  -6.870  -0.379   1.189
   55   2HG1  VAL   7          2HG1      VAL   7  -7.368  -2.009   1.641
   56   3HG1  VAL   7          3HG1      VAL   7  -6.293  -1.092   2.697
   57   1HG2  VAL   7          1HG2      VAL   7  -9.592  -0.960   4.398
   58   2HG2  VAL   7          2HG2      VAL   7  -7.899  -1.410   4.608
   59   3HG2  VAL   7          3HG2      VAL   7  -8.935  -2.348   3.532
   60    H    ARG   8           H        ARG   8  -9.610   2.070   1.591
   61    HA   ARG   8           HA       ARG   8  -7.866   2.932  -0.425
   62   1HB   ARG   8          1HB       ARG   8 -10.173   2.877  -0.942
   63   2HB   ARG   8          2HB       ARG   8 -10.595   3.859   0.452
   64   1HG   ARG   8          1HG       ARG   8  -9.573   5.806  -0.590
   65   2HG   ARG   8          2HG       ARG   8  -9.092   4.823  -1.973
   66   1HD   ARG   8          1HD       ARG   8 -11.339   4.476  -2.626
   67   2HD   ARG   8          2HD       ARG   8 -11.955   5.118  -1.102
   68    HE   ARG   8           HE       ARG   8 -11.039   7.311  -1.850
   69   1HH1  ARG   8          1HH1      ARG   8 -11.909   4.848  -4.194
   70   2HH1  ARG   8          2HH1      ARG   8 -12.166   5.977  -5.483
   71   1HH2  ARG   8          1HH2      ARG   8 -11.365   8.810  -3.556
   72   2HH2  ARG   8          2HH2      ARG   8 -11.843   8.229  -5.127
   73    H    LEU   9           H        LEU   9  -9.078   4.583   2.456
   74    HA   LEU   9           HA       LEU   9  -7.850   7.060   2.074
   75   1HB   LEU   9          1HB       LEU   9  -8.427   5.595   4.650
   76   2HB   LEU   9          2HB       LEU   9  -7.981   7.286   4.551
   77    HG   LEU   9           HG       LEU   9 -10.486   6.065   3.386
   78   1HD1  LEU   9          1HD1      LEU   9 -11.634   7.325   5.140
   79   2HD1  LEU   9          2HD1      LEU   9 -10.075   7.830   5.796
   80   3HD1  LEU   9          3HD1      LEU   9 -10.530   6.126   5.816
   81   1HD2  LEU   9          1HD2      LEU   9 -11.154   8.371   2.958
   82   2HD2  LEU   9          2HD2      LEU   9  -9.674   7.971   2.086
   83   3HD2  LEU   9          3HD2      LEU   9  -9.598   8.944   3.556
   84    H    GLN  10           H        GLN  10  -6.554   4.031   3.310
   85    HA   GLN  10           HA       GLN  10  -4.135   5.197   4.285
   86   1HB   GLN  10          1HB       GLN  10  -5.011   3.073   5.181
   87   2HB   GLN  10          2HB       GLN  10  -4.713   2.304   3.628
   88   1HG   GLN  10          1HG       GLN  10  -2.970   1.849   5.331
   89   2HG   GLN  10          2HG       GLN  10  -2.354   2.590   3.853
   90   1HE2  GLN  10          1HE2      GLN  10  -0.539   3.428   4.834
   91   2HE2  GLN  10          2HE2      GLN  10  -0.597   4.755   5.951
   92    H    LEU  11           H        LEU  11  -5.089   3.583   1.288
   93    HA   LEU  11           HA       LEU  11  -2.568   3.564   0.049
   94   1HB   LEU  11          1HB       LEU  11  -5.306   3.912  -1.181
   95   2HB   LEU  11          2HB       LEU  11  -3.843   3.603  -2.094
   96    HG   LEU  11           HG       LEU  11  -5.112   1.734  -0.092
   97   1HD1  LEU  11          1HD1      LEU  11  -6.349   1.896  -2.183
   98   2HD1  LEU  11          2HD1      LEU  11  -5.547   0.332  -2.044
   99   3HD1  LEU  11          3HD1      LEU  11  -4.872   1.580  -3.095
  100   1HD2  LEU  11          1HD2      LEU  11  -3.420   0.123  -0.816
  101   2HD2  LEU  11          2HD2      LEU  11  -2.683   1.536  -0.064
  102   3HD2  LEU  11          3HD2      LEU  11  -2.664   1.362  -1.819
  103    H    GLN  12           H        GLN  12  -5.035   6.035   0.357
  104    HA   GLN  12           HA       GLN  12  -3.723   7.981  -1.246
  105   1HB   GLN  12          1HB       GLN  12  -5.870   8.201   0.864
  106   2HB   GLN  12          2HB       GLN  12  -5.299   9.569  -0.084
  107   1HG   GLN  12          1HG       GLN  12  -6.068   8.591  -2.109
  108   2HG   GLN  12          2HG       GLN  12  -6.423   7.064  -1.304
  109   1HE2  GLN  12          1HE2      GLN  12  -8.127   8.862  -2.873
  110   2HE2  GLN  12          2HE2      GLN  12  -9.467   9.254  -1.837
  111    H    ALA  13           H        ALA  13  -3.616   7.132   2.166
  112    HA   ALA  13           HA       ALA  13  -2.104   9.341   3.072
  113   1HB   ALA  13          1HB       ALA  13  -3.213   7.826   4.629
  114   2HB   ALA  13          2HB       ALA  13  -1.482   7.913   4.972
  115   3HB   ALA  13          3HB       ALA  13  -2.146   6.512   4.130
  116    H    LEU  14           H        LEU  14  -1.137   6.115   1.972
  117    HA   LEU  14           HA       LEU  14   1.638   6.474   2.167
  118   1HB   LEU  14          1HB       LEU  14   0.545   4.295   1.872
  119   2HB   LEU  14          2HB       LEU  14   0.061   4.754   0.251
  120    HG   LEU  14           HG       LEU  14   2.450   4.875  -0.398
  121   1HD1  LEU  14          1HD1      LEU  14   4.140   3.926   1.077
  122   2HD1  LEU  14          2HD1      LEU  14   2.934   3.728   2.349
  123   3HD1  LEU  14          3HD1      LEU  14   3.390   5.344   1.810
  124   1HD2  LEU  14          1HD2      LEU  14   1.549   2.256   0.792
  125   2HD2  LEU  14          2HD2      LEU  14   2.823   2.454  -0.411
  126   3HD2  LEU  14          3HD2      LEU  14   1.155   2.860  -0.817
  127    H    GLU  15           H        GLU  15  -0.598   6.984  -0.540
  128    HA   GLU  15           HA       GLU  15   1.256   7.872  -2.430
  129   1HB   GLU  15          1HB       GLU  15  -1.076   7.296  -2.960
  130   2HB   GLU  15          2HB       GLU  15  -1.630   8.715  -2.082
  131   1HG   GLU  15          1HG       GLU  15  -0.495  10.160  -3.678
  132   2HG   GLU  15          2HG       GLU  15   0.099   8.745  -4.545
  133    H    ALA  16           H        ALA  16  -0.593   9.686   0.005
  134    HA   ALA  16           HA       ALA  16   0.335  12.250  -0.657
  135   1HB   ALA  16          1HB       ALA  16  -1.575  11.845   0.832
  136   2HB   ALA  16          2HB       ALA  16  -0.383  12.917   1.568
  137   3HB   ALA  16          3HB       ALA  16  -0.473  11.227   2.063
  138    H    LEU  17           H        LEU  17   1.637   9.794   1.524
  139    HA   LEU  17           HA       LEU  17   3.772  11.279   2.574
  140   1HB   LEU  17          1HB       LEU  17   3.039   9.149   3.510
  141   2HB   LEU  17          2HB       LEU  17   3.535   8.309   2.055
  142    HG   LEU  17           HG       LEU  17   5.661   9.821   3.463
  143   1HD1  LEU  17          1HD1      LEU  17   4.421   8.863   5.342
  144   2HD1  LEU  17          2HD1      LEU  17   5.978   8.066   5.126
  145   3HD1  LEU  17          3HD1      LEU  17   4.499   7.272   4.586
  146   1HD2  LEU  17          1HD2      LEU  17   6.115   8.478   1.466
  147   2HD2  LEU  17          2HD2      LEU  17   5.495   7.044   2.287
  148   3HD2  LEU  17          3HD2      LEU  17   6.956   7.835   2.877
  149    H    LEU  18           H        LEU  18   3.491   9.336  -0.355
  150    HA   LEU  18           HA       LEU  18   6.196   9.637  -1.172
  151   1HB   LEU  18          1HB       LEU  18   3.717   8.985  -2.767
  152   2HB   LEU  18          2HB       LEU  18   5.353   8.885  -3.388
  153    HG   LEU  18           HG       LEU  18   4.275   7.249  -1.090
  154   1HD1  LEU  18          1HD1      LEU  18   4.351   5.371  -2.648
  155   2HD1  LEU  18          2HD1      LEU  18   4.845   6.461  -3.946
  156   3HD1  LEU  18          3HD1      LEU  18   3.249   6.625  -3.216
  157   1HD2  LEU  18          1HD2      LEU  18   6.355   5.981  -1.330
  158   2HD2  LEU  18          2HD2      LEU  18   6.670   7.667  -0.917
  159   3HD2  LEU  18          3HD2      LEU  18   6.899   7.107  -2.574
  160    H    ARG  19           H        ARG  19   3.317  11.567  -1.555
  161    HA   ARG  19           HA       ARG  19   4.373  13.291  -3.577
  162   1HB   ARG  19          1HB       ARG  19   2.125  13.769  -1.615
  163   2HB   ARG  19          2HB       ARG  19   2.480  14.765  -3.019
  164   1HG   ARG  19          1HG       ARG  19   1.971  12.913  -4.494
  165   2HG   ARG  19          2HG       ARG  19   1.685  11.864  -3.104
  166   1HD   ARG  19          1HD       ARG  19  -0.441  12.575  -3.868
  167   2HD   ARG  19          2HD       ARG  19  -0.106  13.478  -2.393
  168    HE   ARG  19           HE       ARG  19   0.097  14.571  -5.128
  169   1HH1  ARG  19          1HH1      ARG  19  -0.351  15.025  -1.679
  170   2HH1  ARG  19          2HH1      ARG  19  -0.800  16.694  -1.832
  171   1HH2  ARG  19          1HH2      ARG  19  -0.516  16.735  -5.334
  172   2HH2  ARG  19          2HH2      ARG  19  -0.903  17.672  -3.921
  173    H    GLU  20           H        GLU  20   4.083  13.500  -0.045
  174    HA   GLU  20           HA       GLU  20   5.185  16.104   0.158
  175   1HB   GLU  20          1HB       GLU  20   5.069  13.902   2.226
  176   2HB   GLU  20          2HB       GLU  20   5.445  15.588   2.555
  177   1HG   GLU  20          1HG       GLU  20   2.841  14.459   1.565
  178   2HG   GLU  20          2HG       GLU  20   3.169  15.188   3.137
  179    H    HIS  21           H        HIS  21   6.588  12.884   0.201
  180    HA   HIS  21           HA       HIS  21   9.247  13.952   0.677
  181   1HB   HIS  21          1HB       HIS  21   8.149  11.178   0.322
  182   2HB   HIS  21          2HB       HIS  21   9.882  11.473   0.226
  183    HD1  HIS  21           HD1      HIS  21  11.097  12.168   2.397
  184    HD2  HIS  21           HD2      HIS  21   7.045  11.359   2.891
  185    HE1  HIS  21           HE1      HIS  21  10.739  11.976   4.883
  186    HE2  HIS  21           HE2      HIS  21   8.256  11.627   5.167
  187    H    GLN  22           H        GLN  22   7.272  13.896  -1.881
  188    HA   GLN  22           HA       GLN  22   7.468  14.055  -4.124
  189   1HB   GLN  22          1HB       GLN  22  10.200  15.087  -3.366
  190   2HB   GLN  22          2HB       GLN  22   9.445  15.289  -4.942
  191   1HG   GLN  22          1HG       GLN  22   7.593  16.507  -3.846
  192   2HG   GLN  22          2HG       GLN  22   8.468  16.388  -2.320
  193   1HE2  GLN  22          1HE2      GLN  22   7.638  18.717  -3.875
  194   2HE2  GLN  22          2HE2      GLN  22   9.082  19.623  -4.185
  195    H    HIS  23           H        HIS  23   7.449  11.635  -4.004
  196    HA   HIS  23           HA       HIS  23   9.717  10.682  -5.607
  197   1HB   HIS  23          1HB       HIS  23   8.584   9.398  -3.152
  198   2HB   HIS  23          2HB       HIS  23   9.206   8.380  -4.447
  199    HD1  HIS  23           HD1      HIS  23  11.711   8.209  -4.718
  200    HD2  HIS  23           HD2      HIS  23  10.552  11.022  -1.881
  201    HE1  HIS  23           HE1      HIS  23  13.823   8.888  -3.526
  202    HE2  HIS  23           HE2      HIS  23  13.120  10.758  -1.987
  203    H    TRP  24           H        TRP  24   6.740  11.541  -5.871
  204    HA   TRP  24           HA       TRP  24   5.633   9.107  -7.013
  205   1HB   TRP  24          1HB       TRP  24   4.228  10.737  -5.679
  206   2HB   TRP  24          2HB       TRP  24   4.382  11.859  -7.028
  207    HD1  TRP  24           HD1      TRP  24   2.823  11.482  -9.103
  208    HE1  TRP  24           HE1      TRP  24   0.936   9.810  -9.644
  209    HE3  TRP  24           HE3      TRP  24   3.517   8.200  -5.239
  210    HZ2  TRP  24           HZ2      TRP  24  -0.116   7.424  -8.566
  211    HZ3  TRP  24           HZ3      TRP  24   2.030   6.247  -5.069
  212    HH2  TRP  24           HH2      TRP  24   0.251   5.869  -6.701
  213    H    ARG  25           H        ARG  25   7.463   9.068  -8.524
  214    HA   ARG  25           HA       ARG  25   6.646  10.363 -11.015
  215   1HB   ARG  25          1HB       ARG  25   9.518  10.209 -10.069
  216   2HB   ARG  25          2HB       ARG  25   8.993  10.766 -11.651
  217   1HG   ARG  25          1HG       ARG  25   7.694  12.562 -10.443
  218   2HG   ARG  25          2HG       ARG  25   8.568  12.079  -8.988
  219   1HD   ARG  25          1HD       ARG  25  10.696  12.460 -10.242
  220   2HD   ARG  25          2HD       ARG  25   9.734  13.131 -11.557
  221    HE   ARG  25           HE       ARG  25   9.836  14.271  -8.840
  222   1HH1  ARG  25          1HH1      ARG  25   9.556  14.624 -12.316
  223   2HH1  ARG  25          2HH1      ARG  25   9.546  16.364 -12.261
  224   1HH2  ARG  25          1HH2      ARG  25   9.808  16.564  -8.768
  225   2HH2  ARG  25          2HH2      ARG  25   9.715  17.462 -10.252
  226    H    ASN  26           H        ASN  26   5.826   8.524 -11.836
  227    HA   ASN  26           HA       ASN  26   6.956   5.960 -11.517
  228   1HB   ASN  26          1HB       ASN  26   5.087   6.955 -13.682
  229   2HB   ASN  26          2HB       ASN  26   5.395   5.267 -13.289
  230   1HD2  ASN  26          1HD2      ASN  26   2.911   6.808 -13.256
  231   2HD2  ASN  26          2HD2      ASN  26   2.287   6.666 -11.649
  232    H    ASP  27           H        ASP  27   8.816   5.274 -12.309
  233    HA   ASP  27           HA       ASP  27  10.142   6.735 -14.392
  234   1HB   ASP  27          1HB       ASP  27  10.924   4.430 -12.644
  235   2HB   ASP  27          2HB       ASP  27  11.896   4.838 -14.055
  236    H    GLU  28           H        GLU  28   8.265   6.200 -15.800
  237    HA   GLU  28           HA       GLU  28   7.489   5.298 -17.711
  238   1HB   GLU  28          1HB       GLU  28  10.275   5.357 -17.895
  239   2HB   GLU  28          2HB       GLU  28   9.808   3.781 -18.518
  240   1HG   GLU  28          1HG       GLU  28   9.959   5.555 -20.244
  241   2HG   GLU  28          2HG       GLU  28   8.381   4.769 -20.154
  242    HA   PRO  29           HA       PRO  29   6.481   1.199 -15.813
  243   1HB   PRO  29          1HB       PRO  29   3.865   1.954 -16.971
  244   2HB   PRO  29          2HB       PRO  29   4.248   1.368 -15.349
  245   1HG   PRO  29          1HG       PRO  29   3.588   3.926 -15.783
  246   2HG   PRO  29          2HG       PRO  29   4.800   3.473 -14.571
  247   1HD   PRO  29          1HD       PRO  29   5.187   4.594 -17.315
  248   2HD   PRO  29          2HD       PRO  29   6.073   4.947 -15.817
  249    H    GLN  30           H        GLN  30   7.556  -0.054 -17.270
  250    HA   GLN  30           HA       GLN  30   6.666  -0.016 -20.056
  251   1HB   GLN  30          1HB       GLN  30   9.192   0.060 -18.944
  252   2HB   GLN  30          2HB       GLN  30   9.034  -1.617 -19.446
  253   1HG   GLN  30          1HG       GLN  30  10.051  -0.290 -21.192
  254   2HG   GLN  30          2HG       GLN  30   8.477  -0.896 -21.707
  255   1HE2  GLN  30          1HE2      GLN  30   8.910   1.790 -19.499
  256   2HE2  GLN  30          2HE2      GLN  30   8.325   3.008 -20.577
  257    HA   PRO  31           HA       PRO  31   4.322  -3.680 -19.904
  258   1HB   PRO  31          1HB       PRO  31   5.840  -4.398 -22.376
  259   2HB   PRO  31          2HB       PRO  31   4.097  -4.422 -22.079
  260   1HG   PRO  31          1HG       PRO  31   5.173  -2.442 -23.468
  261   2HG   PRO  31          2HG       PRO  31   3.902  -2.112 -22.276
  262   1HD   PRO  31          1HD       PRO  31   6.839  -1.632 -22.096
  263   2HD   PRO  31          2HD       PRO  31   5.494  -0.680 -21.437
  264    H    HIS  32           H        HIS  32   7.817  -4.112 -20.505
  265    HA   HIS  32           HA       HIS  32   7.910  -6.882 -20.146
  266   1HB   HIS  32          1HB       HIS  32  10.260  -6.712 -19.848
  267   2HB   HIS  32          2HB       HIS  32   9.819  -5.431 -20.963
  268    HD1  HIS  32           HD1      HIS  32  10.528  -3.099 -20.351
  269    HD2  HIS  32           HD2      HIS  32  10.928  -5.775 -17.189
  270    HE1  HIS  32           HE1      HIS  32  11.778  -1.854 -18.556
  271    HE2  HIS  32           HE2      HIS  32  12.190  -3.557 -16.745
  272    H    GLN  33           H        GLN  33   7.460  -4.367 -17.840
  273    HA   GLN  33           HA       GLN  33   8.174  -5.771 -15.490
  274   1HB   GLN  33          1HB       GLN  33   7.875  -3.379 -15.437
  275   2HB   GLN  33          2HB       GLN  33   6.214  -3.525 -15.990
  276   1HG   GLN  33          1HG       GLN  33   5.621  -4.630 -13.887
  277   2HG   GLN  33          2HG       GLN  33   7.287  -4.458 -13.334
  278   1HE2  GLN  33          1HE2      GLN  33   6.674  -3.199 -11.570
  279   2HE2  GLN  33          2HE2      GLN  33   6.156  -1.561 -11.747
  280    H    PHE  34           H        PHE  34   4.969  -5.146 -16.912
  281    HA   PHE  34           HA       PHE  34   3.653  -6.864 -15.070
  282   1HB   PHE  34          1HB       PHE  34   2.626  -5.714 -17.666
  283   2HB   PHE  34          2HB       PHE  34   1.644  -6.396 -16.373
  284    HD1  PHE  34           HD2      PHE  34   1.669  -5.251 -14.118
  285    HD2  PHE  34           HD1      PHE  34   3.249  -3.461 -17.642
  286    HE1  PHE  34           HE2      PHE  34   1.526  -3.035 -13.055
  287    HE2  PHE  34           HE1      PHE  34   3.113  -1.245 -16.587
  288    HZ   PHE  34           HZ       PHE  34   2.249  -1.028 -14.291
  289    H    ASN  35           H        ASN  35   4.986  -7.292 -18.267
  290    HA   ASN  35           HA       ASN  35   3.571  -9.669 -18.932
  291   1HB   ASN  35          1HB       ASN  35   4.728  -8.231 -20.606
  292   2HB   ASN  35          2HB       ASN  35   6.276  -8.751 -19.944
  293   1HD2  ASN  35          1HD2      ASN  35   7.053  -9.783 -21.698
  294   2HD2  ASN  35          2HD2      ASN  35   6.338 -11.210 -22.373
  295    H    SER  36           H        SER  36   6.674  -9.096 -17.330
  296    HA   SER  36           HA       SER  36   7.464 -11.770 -17.122
  297   1HB   SER  36          1HB       SER  36   7.915  -9.537 -15.130
  298   2HB   SER  36          2HB       SER  36   8.821 -11.048 -15.210
  299    HG   SER  36           HG       SER  36   8.912  -8.811 -16.883
  300    H    THR  37           H        THR  37   5.328  -9.788 -15.152
  301    HA   THR  37           HA       THR  37   3.579 -10.310 -13.818
  302    HB   THR  37           HB       THR  37   3.823 -13.042 -15.107
  303    HG1  THR  37           HG1      THR  37   3.235 -10.695 -16.162
  304   1HG2  THR  37          1HG2      THR  37   2.361 -13.078 -13.124
  305   2HG2  THR  37          2HG2      THR  37   1.433 -13.275 -14.611
  306   3HG2  THR  37          3HG2      THR  37   1.449 -11.719 -13.781
  307    H    GLN  38           H        GLN  38   6.503 -10.987 -13.093
  308    HA   GLN  38           HA       GLN  38   6.467 -12.999 -11.121
  309   1HB   GLN  38          1HB       GLN  38   8.159 -10.516 -11.423
  310   2HB   GLN  38          2HB       GLN  38   8.402 -11.674 -10.126
  311   1HG   GLN  38          1HG       GLN  38   8.630 -12.241 -13.072
  312   2HG   GLN  38          2HG       GLN  38   9.963 -12.034 -11.935
  313   1HE2  GLN  38          1HE2      GLN  38  10.387 -13.652 -10.417
  314   2HE2  GLN  38          2HE2      GLN  38   9.747 -15.253 -10.591
  315    HA   PRO  39           HA       PRO  39   4.041 -11.115  -7.876
  316   1HB   PRO  39          1HB       PRO  39   5.392 -12.287  -5.756
  317   2HB   PRO  39          2HB       PRO  39   4.070 -13.047  -6.647
  318   1HG   PRO  39          1HG       PRO  39   7.022 -13.410  -6.957
  319   2HG   PRO  39          2HG       PRO  39   5.728 -14.622  -7.025
  320   1HD   PRO  39          1HD       PRO  39   6.878 -13.692  -9.258
  321   2HD   PRO  39          2HD       PRO  39   5.139 -14.049  -9.197
  322    H    PHE  40           H        PHE  40   4.336  -9.068  -7.270
  323    HA   PHE  40           HA       PHE  40   5.253  -7.131  -6.521
  324   1HB   PHE  40          1HB       PHE  40   7.407  -8.951  -5.438
  325   2HB   PHE  40          2HB       PHE  40   7.333  -7.223  -5.127
  326    HD1  PHE  40           HD1      PHE  40   5.481  -6.295  -3.780
  327    HD2  PHE  40           HD2      PHE  40   6.042 -10.486  -4.250
  328    HE1  PHE  40           HE1      PHE  40   4.059  -6.703  -1.818
  329    HE2  PHE  40           HE2      PHE  40   4.612 -10.900  -2.291
  330    HZ   PHE  40           HZ       PHE  40   3.623  -9.005  -1.071
  331    H    PHE  41           H        PHE  41   6.403  -8.917  -8.947
  332    HA   PHE  41           HA       PHE  41   7.829  -8.666 -10.690
  333   1HB   PHE  41          1HB       PHE  41   7.653  -5.744  -9.924
  334   2HB   PHE  41          2HB       PHE  41   8.213  -6.368 -11.473
  335    HD1  PHE  41           HD1      PHE  41   6.431  -8.143 -12.520
  336    HD2  PHE  41           HD2      PHE  41   5.522  -4.908  -9.911
  337    HE1  PHE  41           HE1      PHE  41   4.124  -8.108 -13.376
  338    HE2  PHE  41           HE2      PHE  41   3.211  -4.869 -10.762
  339    HZ   PHE  41           HZ       PHE  41   2.511  -6.468 -12.496
  340    H    MET  42           H        MET  42   9.028  -9.315  -8.215
  341    HA   MET  42           HA       MET  42  11.195  -7.789  -7.394
  342   1HB   MET  42          1HB       MET  42  11.382 -10.786  -7.475
  343   2HB   MET  42          2HB       MET  42  11.982  -9.680  -6.250
  344   1HG   MET  42          1HG       MET  42   9.662  -9.222  -5.572
  345   2HG   MET  42          2HG       MET  42   9.110 -10.400  -6.764
  346   1HE   MET  42          1HE       MET  42   8.108 -10.713  -3.874
  347   2HE   MET  42          2HE       MET  42   8.426 -12.414  -3.537
  348   3HE   MET  42          3HE       MET  42   7.811 -11.929  -5.118
  349    H    ASP  43           H        ASP  43  11.154 -10.433  -9.750
  350    HA   ASP  43           HA       ASP  43  13.950 -10.012 -10.405
  351   1HB   ASP  43          1HB       ASP  43  11.996 -11.949 -11.659
  352   2HB   ASP  43          2HB       ASP  43  13.753 -12.023 -11.720
  353    H    THR  44           H        THR  44  12.062  -7.892 -11.074
  354    HA   THR  44           HA       THR  44  12.494  -7.804 -13.966
  355    HB   THR  44           HB       THR  44   9.784  -7.161 -12.812
  356    HG1  THR  44           HG1      THR  44  10.861  -9.586 -13.764
  357   1HG2  THR  44          1HG2      THR  44  10.240  -6.049 -14.894
  358   2HG2  THR  44          2HG2      THR  44   9.122  -7.378 -15.204
  359   3HG2  THR  44          3HG2      THR  44  10.826  -7.546 -15.617
  360    H    MET  45           H        MET  45  11.173  -6.082 -11.155
  361    HA   MET  45           HA       MET  45  12.484  -3.622 -12.107
  362   1HB   MET  45          1HB       MET  45   9.716  -3.796 -10.883
  363   2HB   MET  45          2HB       MET  45  10.544  -2.318 -11.352
  364   1HG   MET  45          1HG       MET  45   9.832  -4.495 -13.294
  365   2HG   MET  45          2HG       MET  45   8.769  -3.140 -12.923
  366   1HE   MET  45          1HE       MET  45   9.285  -0.633 -13.535
  367   2HE   MET  45          2HE       MET  45  10.817  -0.087 -14.217
  368   3HE   MET  45          3HE       MET  45  10.761  -0.728 -12.575
  369    H    GLU  46           H        GLU  46  12.335  -1.961 -10.143
  370    HA   GLU  46           HA       GLU  46  13.498  -3.187  -7.848
  371   1HB   GLU  46          1HB       GLU  46  12.427  -0.388  -8.285
  372   2HB   GLU  46          2HB       GLU  46  13.217  -0.908  -6.806
  373   1HG   GLU  46          1HG       GLU  46  14.840   0.238  -8.050
  374   2HG   GLU  46          2HG       GLU  46  15.225  -1.474  -8.214
  375    HA   PRO  47           HA       PRO  47   9.881  -4.423  -5.593
  376   1HB   PRO  47          1HB       PRO  47  11.301  -3.330  -3.217
  377   2HB   PRO  47          2HB       PRO  47  10.619  -4.939  -3.480
  378   1HG   PRO  47          1HG       PRO  47  13.254  -4.546  -3.565
  379   2HG   PRO  47          2HG       PRO  47  12.462  -5.668  -4.689
  380   1HD   PRO  47          1HD       PRO  47  13.485  -2.903  -5.169
  381   2HD   PRO  47          2HD       PRO  47  13.518  -4.321  -6.238
  382    H    LEU  48           H        LEU  48  11.286  -1.239  -5.165
  383    HA   LEU  48           HA       LEU  48   9.050  -0.080  -3.829
  384   1HB   LEU  48          1HB       LEU  48  11.349   0.839  -3.732
  385   2HB   LEU  48          2HB       LEU  48  11.227   1.268  -5.427
  386    HG   LEU  48           HG       LEU  48   9.353   2.798  -4.871
  387   1HD1  LEU  48          1HD1      LEU  48   8.566   1.720  -2.839
  388   2HD1  LEU  48          2HD1      LEU  48   8.981   3.406  -2.526
  389   3HD1  LEU  48          3HD1      LEU  48  10.078   2.119  -2.023
  390   1HD2  LEU  48          1HD2      LEU  48  11.591   3.680  -5.091
  391   2HD2  LEU  48          2HD2      LEU  48  11.952   3.263  -3.417
  392   3HD2  LEU  48          3HD2      LEU  48  10.756   4.508  -3.776
  393    H    GLU  49           H        GLU  49   9.849  -0.683  -7.166
  394    HA   GLU  49           HA       GLU  49   8.141   1.300  -8.293
  395   1HB   GLU  49          1HB       GLU  49   9.075  -1.247  -9.623
  396   2HB   GLU  49          2HB       GLU  49   8.546   0.233 -10.411
  397   1HG   GLU  49          1HG       GLU  49  11.047  -0.152  -8.786
  398   2HG   GLU  49          2HG       GLU  49  10.936   0.057 -10.532
  399    H    TRP  50           H        TRP  50   7.664  -1.878  -7.060
  400    HA   TRP  50           HA       TRP  50   5.112  -2.346  -8.253
  401   1HB   TRP  50          1HB       TRP  50   6.517  -4.165  -7.338
  402   2HB   TRP  50          2HB       TRP  50   6.322  -3.493  -5.724
  403    HD1  TRP  50           HD1      TRP  50   4.310  -5.279  -8.473
  404    HE1  TRP  50           HE1      TRP  50   2.261  -6.387  -7.384
  405    HE3  TRP  50           HE3      TRP  50   4.799  -3.413  -3.745
  406    HZ2  TRP  50           HZ2      TRP  50   1.018  -6.462  -4.852
  407    HZ3  TRP  50           HZ3      TRP  50   3.140  -4.051  -2.047
  408    HH2  TRP  50           HH2      TRP  50   1.288  -5.545  -2.594
  409    H    LEU  51           H        LEU  51   6.259  -1.014  -5.202
  410    HA   LEU  51           HA       LEU  51   3.716  -0.424  -4.091
  411   1HB   LEU  51          1HB       LEU  51   5.887  -0.557  -2.843
  412   2HB   LEU  51          2HB       LEU  51   6.366   0.950  -3.596
  413    HG   LEU  51           HG       LEU  51   4.376   2.032  -2.501
  414   1HD1  LEU  51          1HD1      LEU  51   4.292  -0.587  -1.007
  415   2HD1  LEU  51          2HD1      LEU  51   3.061   0.024  -2.114
  416   3HD1  LEU  51          3HD1      LEU  51   3.378   0.865  -0.598
  417   1HD2  LEU  51          1HD2      LEU  51   6.462   0.773  -0.720
  418   2HD2  LEU  51          2HD2      LEU  51   5.442   2.146  -0.288
  419   3HD2  LEU  51          3HD2      LEU  51   6.613   2.296  -1.599
  420    H    GLN  52           H        GLN  52   5.851   1.134  -6.295
  421    HA   GLN  52           HA       GLN  52   5.086   3.787  -6.192
  422   1HB   GLN  52          1HB       GLN  52   7.050   2.860  -7.368
  423   2HB   GLN  52          2HB       GLN  52   5.986   2.194  -8.593
  424   1HG   GLN  52          1HG       GLN  52   5.267   4.516  -9.128
  425   2HG   GLN  52          2HG       GLN  52   6.502   5.097  -8.011
  426   1HE2  GLN  52          1HE2      GLN  52   8.687   4.764  -8.516
  427   2HE2  GLN  52          2HE2      GLN  52   9.209   4.422 -10.125
  428    H    TRP  53           H        TRP  53   4.142   1.690  -8.935
  429    HA   TRP  53           HA       TRP  53   1.632   3.233  -9.016
  430   1HB   TRP  53          1HB       TRP  53   3.309   3.915 -10.752
  431   2HB   TRP  53          2HB       TRP  53   3.194   2.295 -11.429
  432    HD1  TRP  53           HD1      TRP  53   0.630   5.088 -10.529
  433    HE1  TRP  53           HE1      TRP  53  -1.094   5.216 -12.440
  434    HE3  TRP  53           HE3      TRP  53   2.466   1.371 -13.520
  435    HZ2  TRP  53           HZ2      TRP  53  -1.590   3.921 -14.899
  436    HZ3  TRP  53           HZ3      TRP  53   1.310   0.880 -15.637
  437    HH2  TRP  53           HH2      TRP  53  -0.679   2.131 -16.310
  438    H    VAL  54           H        VAL  54   2.664   0.244  -8.346
  439    HA   VAL  54           HA       VAL  54   0.596  -1.068  -9.955
  440    HB   VAL  54           HB       VAL  54   2.590  -2.398  -8.119
  441   1HG1  VAL  54          1HG1      VAL  54   1.921  -4.444  -9.272
  442   2HG1  VAL  54          2HG1      VAL  54   0.769  -3.533 -10.248
  443   3HG1  VAL  54          3HG1      VAL  54   0.525  -3.678  -8.509
  444   1HG2  VAL  54          1HG2      VAL  54   3.774  -3.034 -10.179
  445   2HG2  VAL  54          2HG2      VAL  54   3.736  -1.284  -9.957
  446   3HG2  VAL  54          3HG2      VAL  54   2.651  -2.048 -11.118
  447    H    LEU  55           H        LEU  55   1.668  -1.132  -6.550
  448    HA   LEU  55           HA       LEU  55  -0.460  -2.566  -5.536
  449   1HB   LEU  55          1HB       LEU  55   1.565  -2.111  -4.267
  450   2HB   LEU  55          2HB       LEU  55   1.136  -0.415  -4.154
  451    HG   LEU  55           HG       LEU  55  -0.885  -1.057  -2.847
  452   1HD1  LEU  55          1HD1      LEU  55  -1.160  -3.321  -3.652
  453   2HD1  LEU  55          2HD1      LEU  55  -0.999  -3.306  -1.897
  454   3HD1  LEU  55          3HD1      LEU  55   0.365  -3.794  -2.905
  455   1HD2  LEU  55          1HD2      LEU  55   1.753  -1.978  -1.721
  456   2HD2  LEU  55          2HD2      LEU  55   0.314  -1.578  -0.782
  457   3HD2  LEU  55          3HD2      LEU  55   1.136  -0.325  -1.715
  458    H    ILE  56           H        ILE  56  -0.153   0.994  -5.325
  459    HA   ILE  56           HA       ILE  56  -2.564   1.379  -4.017
  460    HB   ILE  56           HB       ILE  56  -1.135   3.351  -5.802
  461   1HG1  ILE  56          1HG1      ILE  56  -1.046   2.943  -2.807
  462   2HG1  ILE  56          2HG1      ILE  56   0.217   2.458  -3.932
  463   1HG2  ILE  56          1HG2      ILE  56  -2.356   5.070  -4.550
  464   2HG2  ILE  56          2HG2      ILE  56  -3.251   3.809  -3.702
  465   3HG2  ILE  56          3HG2      ILE  56  -3.451   4.014  -5.442
  466   1HD1  ILE  56          1HD1      ILE  56  -0.689   5.277  -3.397
  467   2HD1  ILE  56          2HD1      ILE  56   0.574   4.797  -4.531
  468   3HD1  ILE  56          3HD1      ILE  56   0.791   4.523  -2.802
  469    HA   PRO  57           HA       PRO  57  -4.822   2.322  -8.184
  470   1HB   PRO  57          1HB       PRO  57  -3.154   1.014 -10.231
  471   2HB   PRO  57          2HB       PRO  57  -3.917   2.606 -10.252
  472   1HG   PRO  57          1HG       PRO  57  -1.273   2.352  -9.986
  473   2HG   PRO  57          2HG       PRO  57  -2.170   3.608  -9.110
  474   1HD   PRO  57          1HD       PRO  57  -1.163   0.960  -8.122
  475   2HD   PRO  57          2HD       PRO  57  -1.081   2.551  -7.346
  476    H    ARG  58           H        ARG  58  -2.960  -0.699  -8.033
  477    HA   ARG  58           HA       ARG  58  -4.942  -2.294  -9.289
  478   1HB   ARG  58          1HB       ARG  58  -2.620  -3.023  -9.192
  479   2HB   ARG  58          2HB       ARG  58  -2.701  -3.106  -7.437
  480   1HG   ARG  58          1HG       ARG  58  -4.161  -4.954  -7.490
  481   2HG   ARG  58          2HG       ARG  58  -4.483  -4.745  -9.212
  482   1HD   ARG  58          1HD       ARG  58  -2.163  -5.322  -9.715
  483   2HD   ARG  58          2HD       ARG  58  -1.838  -5.522  -7.994
  484    HE   ARG  58           HE       ARG  58  -2.764  -7.600  -8.109
  485   1HH1  ARG  58          1HH1      ARG  58  -3.886  -5.756 -10.867
  486   2HH1  ARG  58          2HH1      ARG  58  -4.678  -7.107 -11.617
  487   1HH2  ARG  58          1HH2      ARG  58  -3.801  -9.395  -9.095
  488   2HH2  ARG  58          2HH2      ARG  58  -4.658  -9.165 -10.600
  489    H    MET  59           H        MET  59  -4.087  -1.763  -5.875
  490    HA   MET  59           HA       MET  59  -6.194  -3.400  -4.862
  491   1HB   MET  59          1HB       MET  59  -4.700  -1.167  -3.468
  492   2HB   MET  59          2HB       MET  59  -5.674  -2.407  -2.690
  493   1HG   MET  59          1HG       MET  59  -3.132  -2.851  -4.239
  494   2HG   MET  59          2HG       MET  59  -3.313  -2.902  -2.487
  495   1HE   MET  59          1HE       MET  59  -4.586  -4.746  -1.181
  496   2HE   MET  59          2HE       MET  59  -5.454  -6.088  -1.926
  497   3HE   MET  59          3HE       MET  59  -6.064  -4.442  -2.096
  498    H    HIS  60           H        HIS  60  -6.013  -0.162  -6.025
  499    HA   HIS  60           HA       HIS  60  -8.314   0.887  -4.791
  500   1HB   HIS  60          1HB       HIS  60  -6.540   1.679  -6.920
  501   2HB   HIS  60          2HB       HIS  60  -8.213   1.971  -7.387
  502    HD1  HIS  60           HD1      HIS  60  -9.634   3.472  -5.641
  503    HD2  HIS  60           HD2      HIS  60  -5.487   3.528  -5.233
  504    HE1  HIS  60           HE1      HIS  60  -9.105   5.503  -4.236
  505    HE2  HIS  60           HE2      HIS  60  -6.582   5.600  -4.142
  506    H    ASP  61           H        ASP  61  -7.869  -0.924  -7.815
  507    HA   ASP  61           HA       ASP  61 -10.528  -0.892  -8.682
  508   1HB   ASP  61          1HB       ASP  61  -8.662  -1.718 -10.069
  509   2HB   ASP  61          2HB       ASP  61  -8.486  -3.107  -9.001
  510    H    LEU  62           H        LEU  62  -8.849  -3.004  -6.443
  511    HA   LEU  62           HA       LEU  62 -10.920  -4.834  -5.935
  512   1HB   LEU  62          1HB       LEU  62  -8.558  -5.174  -5.315
  513   2HB   LEU  62          2HB       LEU  62  -8.686  -3.892  -4.129
  514    HG   LEU  62           HG       LEU  62 -10.469  -5.303  -2.999
  515   1HD1  LEU  62          1HD1      LEU  62  -9.305  -7.404  -4.817
  516   2HD1  LEU  62          2HD1      LEU  62 -10.963  -6.799  -4.840
  517   3HD1  LEU  62          3HD1      LEU  62 -10.375  -7.711  -3.450
  518   1HD2  LEU  62          1HD2      LEU  62  -8.229  -5.052  -2.099
  519   2HD2  LEU  62          2HD2      LEU  62  -7.648  -6.349  -3.143
  520   3HD2  LEU  62          3HD2      LEU  62  -8.811  -6.702  -1.864
  521    H    LEU  63           H        LEU  63  -9.941  -1.885  -4.217
  522    HA   LEU  63           HA       LEU  63 -11.966  -2.104  -2.220
  523   1HB   LEU  63          1HB       LEU  63 -10.264   0.258  -3.007
  524   2HB   LEU  63          2HB       LEU  63 -11.213   0.129  -1.538
  525    HG   LEU  63           HG       LEU  63  -8.906  -1.682  -2.244
  526   1HD1  LEU  63          1HD1      LEU  63  -7.667  -0.443  -0.551
  527   2HD1  LEU  63          2HD1      LEU  63  -9.037   0.647  -0.337
  528   3HD1  LEU  63          3HD1      LEU  63  -8.167   0.613  -1.871
  529   1HD2  LEU  63          1HD2      LEU  63  -9.072  -2.388   0.085
  530   2HD2  LEU  63          2HD2      LEU  63 -10.574  -2.711  -0.780
  531   3HD2  LEU  63          3HD2      LEU  63 -10.465  -1.332   0.312
  532    H    ASP  64           H        ASP  64 -11.627  -0.228  -5.184
  533    HA   ASP  64           HA       ASP  64 -13.882   1.424  -4.816
  534   1HB   ASP  64          1HB       ASP  64 -12.155   0.672  -7.123
  535   2HB   ASP  64          2HB       ASP  64 -13.705   1.428  -7.473
  536    H    ASN  65           H        ASN  65 -13.516  -1.807  -6.143
  537    HA   ASN  65           HA       ASN  65 -16.322  -1.903  -6.896
  538   1HB   ASN  65          1HB       ASN  65 -14.071  -3.892  -7.097
  539   2HB   ASN  65          2HB       ASN  65 -15.746  -4.378  -7.344
  540   1HD2  ASN  65          1HD2      ASN  65 -13.037  -2.699  -8.634
  541   2HD2  ASN  65          2HD2      ASN  65 -13.726  -2.350 -10.192
  542    H    LYS  66           H        LYS  66 -14.715  -2.041  -4.078
  543    HA   LYS  66           HA       LYS  66 -15.315  -2.587  -1.963
  544   1HB   LYS  66          1HB       LYS  66 -17.988  -3.157  -3.255
  545   2HB   LYS  66          2HB       LYS  66 -17.710  -3.022  -1.522
  546   1HG   LYS  66          1HG       LYS  66 -17.243  -0.737  -1.655
  547   2HG   LYS  66          2HG       LYS  66 -16.998  -0.799  -3.399
  548   1HD   LYS  66          1HD       LYS  66 -19.417  -1.346  -3.647
  549   2HD   LYS  66          2HD       LYS  66 -19.604  -1.079  -1.910
  550   1HE   LYS  66          1HE       LYS  66 -20.215   0.899  -3.263
  551   2HE   LYS  66          2HE       LYS  66 -18.890   1.214  -2.142
  552   1HZ   LYS  66          1HZ       LYS  66 -18.520   0.556  -5.017
  553   2HZ   LYS  66          2HZ       LYS  66 -17.323   1.056  -3.922
  554   3HZ   LYS  66          3HZ       LYS  66 -18.540   2.136  -4.398
  555    H    GLN  67           H        GLN  67 -14.138  -4.556  -3.687
  556    HA   GLN  67           HA       GLN  67 -15.353  -7.102  -3.134
  557   1HB   GLN  67          1HB       GLN  67 -12.565  -6.471  -4.131
  558   2HB   GLN  67          2HB       GLN  67 -13.369  -8.033  -4.208
  559   1HG   GLN  67          1HG       GLN  67 -15.014  -7.133  -5.748
  560   2HG   GLN  67          2HG       GLN  67 -14.264  -5.542  -5.645
  561   1HE2  GLN  67          1HE2      GLN  67 -13.975  -8.776  -6.841
  562   2HE2  GLN  67          2HE2      GLN  67 -12.688  -8.473  -7.961
  563    HA   PRO  68           HA       PRO  68 -13.571  -7.959   0.850
  564   1HB   PRO  68          1HB       PRO  68 -12.943 -10.659  -0.207
  565   2HB   PRO  68          2HB       PRO  68 -13.905 -10.200   1.201
  566   1HG   PRO  68          1HG       PRO  68 -15.071 -11.107  -1.022
  567   2HG   PRO  68          2HG       PRO  68 -15.810  -9.816  -0.057
  568   1HD   PRO  68          1HD       PRO  68 -14.301  -9.634  -2.631
  569   2HD   PRO  68          2HD       PRO  68 -15.734  -8.732  -2.097
  570    H    LEU  69           H        LEU  69 -11.551  -8.193   1.855
  571    HA   LEU  69           HA       LEU  69  -9.329  -7.565   0.126
  572   1HB   LEU  69          1HB       LEU  69  -9.533  -7.866   3.123
  573   2HB   LEU  69          2HB       LEU  69  -8.071  -7.383   2.285
  574    HG   LEU  69           HG       LEU  69 -10.672  -5.849   2.311
  575   1HD1  LEU  69          1HD1      LEU  69  -8.032  -5.296   3.659
  576   2HD1  LEU  69          2HD1      LEU  69  -9.532  -5.770   4.455
  577   3HD1  LEU  69          3HD1      LEU  69  -9.425  -4.213   3.636
  578   1HD2  LEU  69          1HD2      LEU  69  -7.999  -5.170   1.090
  579   2HD2  LEU  69          2HD2      LEU  69  -9.391  -4.093   1.180
  580   3HD2  LEU  69          3HD2      LEU  69  -9.476  -5.564   0.210
  581    HA   PRO  70           HA       PRO  70  -7.540 -11.647   0.213
  582   1HB   PRO  70          1HB       PRO  70  -4.891 -10.654  -0.190
  583   2HB   PRO  70          2HB       PRO  70  -5.987 -11.323  -1.396
  584   1HG   PRO  70          1HG       PRO  70  -5.156  -8.669  -1.266
  585   2HG   PRO  70          2HG       PRO  70  -6.556  -9.276  -2.166
  586   1HD   PRO  70          1HD       PRO  70  -6.445  -7.888   0.459
  587   2HD   PRO  70          2HD       PRO  70  -7.702  -7.845  -0.793
  588    H    GLY  71           H        GLY  71  -7.461 -12.561   2.168
  589   1HA   GLY  71          1HA       GLY  71  -6.374 -11.185   4.432
  590   2HA   GLY  71          2HA       GLY  71  -7.125 -12.769   4.436
  591    H    ALA  72           H        ALA  72  -4.571 -12.353   2.210
  592    HA   ALA  72           HA       ALA  72  -2.571 -13.303   4.123
  593   1HB   ALA  72          1HB       ALA  72  -1.788 -15.004   2.534
  594   2HB   ALA  72          2HB       ALA  72  -3.118 -14.599   1.448
  595   3HB   ALA  72          3HB       ALA  72  -3.454 -15.303   3.031
  596    H    PHE  73           H        PHE  73  -3.304 -10.838   2.558
  597    HA   PHE  73           HA       PHE  73  -1.031 -10.544   0.760
  598   1HB   PHE  73          1HB       PHE  73  -3.391  -9.763   0.201
  599   2HB   PHE  73          2HB       PHE  73  -3.158  -8.496   1.396
  600    HD1  PHE  73           HD1      PHE  73  -2.010  -9.809  -1.844
  601    HD2  PHE  73           HD2      PHE  73  -1.888  -6.558   0.897
  602    HE1  PHE  73           HE1      PHE  73  -0.993  -8.388  -3.580
  603    HE2  PHE  73           HE2      PHE  73  -0.868  -5.135  -0.828
  604    HZ   PHE  73           HZ       PHE  73  -0.424  -6.046  -3.070
  605    H    ALA  74           H        ALA  74   0.623 -10.577   2.340
  606    HA   ALA  74           HA       ALA  74   0.670  -8.303   4.197
  607   1HB   ALA  74          1HB       ALA  74   2.453  -9.490   5.364
  608   2HB   ALA  74          2HB       ALA  74   2.409 -10.769   4.148
  609   3HB   ALA  74          3HB       ALA  74   1.021 -10.507   5.204
  610    H    VAL  75           H        VAL  75   2.109  -6.680   3.962
  611    HA   VAL  75           HA       VAL  75   4.036  -6.952   1.740
  612    HB   VAL  75           HB       VAL  75   3.740  -4.561   1.243
  613   1HG1  VAL  75          1HG1      VAL  75   1.519  -4.734   0.199
  614   2HG1  VAL  75          2HG1      VAL  75   1.198  -6.180   1.157
  615   3HG1  VAL  75          3HG1      VAL  75   2.491  -6.184  -0.043
  616   1HG2  VAL  75          1HG2      VAL  75   1.481  -4.688   3.241
  617   2HG2  VAL  75          2HG2      VAL  75   1.838  -3.328   2.176
  618   3HG2  VAL  75          3HG2      VAL  75   2.987  -3.790   3.434
  619    H    ALA  76           H        ALA  76   3.439  -5.727   4.969
  620    HA   ALA  76           HA       ALA  76   5.776  -4.134   5.137
  621   1HB   ALA  76          1HB       ALA  76   3.904  -3.785   6.645
  622   2HB   ALA  76          2HB       ALA  76   5.392  -4.085   7.542
  623   3HB   ALA  76          3HB       ALA  76   4.186  -5.360   7.385
  624    HA   PRO  77           HA       PRO  77   7.829  -8.061   7.232
  625   1HB   PRO  77          1HB       PRO  77   6.256 -10.190   5.892
  626   2HB   PRO  77          2HB       PRO  77   6.881 -10.122   7.543
  627   1HG   PRO  77          1HG       PRO  77   4.279  -9.806   7.055
  628   2HG   PRO  77          2HG       PRO  77   5.097  -8.847   8.305
  629   1HD   PRO  77          1HD       PRO  77   4.288  -8.059   5.532
  630   2HD   PRO  77          2HD       PRO  77   4.186  -7.132   7.042
  631    H    TYR  78           H        TYR  78   6.474  -7.892   4.017
  632    HA   TYR  78           HA       TYR  78   8.589  -9.359   2.758
  633   1HB   TYR  78          1HB       TYR  78   6.474  -9.345   1.633
  634   2HB   TYR  78          2HB       TYR  78   6.416  -7.583   1.640
  635    HD1  TYR  78           HD1      TYR  78   8.467 -10.416   0.346
  636    HD2  TYR  78           HD2      TYR  78   7.158  -6.407  -0.227
  637    HE1  TYR  78           HE1      TYR  78   9.594 -10.364  -1.837
  638    HE2  TYR  78           HE2      TYR  78   8.279  -6.348  -2.412
  639    HH   TYR  78           HH       TYR  78   9.560  -9.169  -3.903
  640    H    TYR  79           H        TYR  79   7.734  -5.900   2.990
  641    HA   TYR  79           HA       TYR  79  10.042  -5.053   1.558
  642   1HB   TYR  79          1HB       TYR  79   7.947  -3.651   3.168
  643   2HB   TYR  79          2HB       TYR  79   9.403  -2.780   2.687
  644    HD1  TYR  79           HD2      TYR  79   9.850  -2.296   0.353
  645    HD2  TYR  79           HD1      TYR  79   6.300  -4.341   1.498
  646    HE1  TYR  79           HE2      TYR  79   8.896  -1.863  -1.869
  647    HE2  TYR  79           HE1      TYR  79   5.333  -3.914  -0.724
  648    HH   TYR  79           HH       TYR  79   7.194  -2.771  -3.353
  649    H    GLU  80           H        GLU  80   9.605  -6.146   4.722
  650    HA   GLU  80           HA       GLU  80  11.734  -4.818   6.018
  651   1HB   GLU  80          1HB       GLU  80   9.990  -6.203   7.152
  652   2HB   GLU  80          2HB       GLU  80  10.743  -7.641   6.481
  653   1HG   GLU  80          1HG       GLU  80  11.387  -7.304   8.798
  654   2HG   GLU  80          2HG       GLU  80  12.781  -7.174   7.726
  655    H    MET  81           H        MET  81  11.629  -7.234   3.580
  656    HA   MET  81           HA       MET  81  14.524  -7.719   3.864
  657   1HB   MET  81          1HB       MET  81  12.452  -9.302   2.334
  658   2HB   MET  81          2HB       MET  81  14.162  -9.690   2.432
  659   1HG   MET  81          1HG       MET  81  13.972 -10.122   4.792
  660   2HG   MET  81          2HG       MET  81  12.285  -9.606   4.780
  661   1HE   MET  81          1HE       MET  81  10.628 -12.386   2.558
  662   2HE   MET  81          2HE       MET  81  11.272 -10.831   2.031
  663   3HE   MET  81          3HE       MET  81  10.339 -10.940   3.524
  664    H    ALA  82           H        ALA  82  11.963  -7.093   1.492
  665    HA   ALA  82           HA       ALA  82  13.635  -6.957  -0.760
  666   1HB   ALA  82          1HB       ALA  82  11.224  -7.344  -0.888
  667   2HB   ALA  82          2HB       ALA  82  11.726  -6.000  -1.912
  668   3HB   ALA  82          3HB       ALA  82  10.933  -5.683  -0.369
  669    H    LEU  83           H        LEU  83  12.527  -4.442   1.464
  670    HA   LEU  83           HA       LEU  83  13.764  -2.387  -0.184
  671   1HB   LEU  83          1HB       LEU  83  11.544  -2.008   0.866
  672   2HB   LEU  83          2HB       LEU  83  12.301  -2.113   2.441
  673    HG   LEU  83           HG       LEU  83  13.651  -0.116   1.916
  674   1HD1  LEU  83          1HD1      LEU  83  13.178   1.207  -0.053
  675   2HD1  LEU  83          2HD1      LEU  83  11.986   0.026  -0.593
  676   3HD1  LEU  83          3HD1      LEU  83  13.693  -0.411  -0.531
  677   1HD2  LEU  83          1HD2      LEU  83  11.532   0.124   3.093
  678   2HD2  LEU  83          2HD2      LEU  83  10.678   0.241   1.554
  679   3HD2  LEU  83          3HD2      LEU  83  11.818   1.501   2.030
  680    H    ALA  84           H        ALA  84  15.660  -1.470   0.223
  681    HA   ALA  84           HA       ALA  84  17.586  -2.644   1.818
  682   1HB   ALA  84          1HB       ALA  84  18.942  -0.674   1.393
  683   2HB   ALA  84          2HB       ALA  84  17.511   0.222   0.885
  684   3HB   ALA  84          3HB       ALA  84  18.074  -1.152  -0.066
  685    H    THR  85           H        THR  85  18.337  -2.355   3.839
  686    HA   THR  85           HA       THR  85  16.465  -1.422   5.757
  687    HB   THR  85           HB       THR  85  18.411  -2.057   7.345
  688    HG1  THR  85           HG1      THR  85  20.189  -2.220   6.114
  689   1HG2  THR  85          1HG2      THR  85  16.436  -3.455   6.944
  690   2HG2  THR  85          2HG2      THR  85  17.895  -4.437   7.088
  691   3HG2  THR  85          3HG2      THR  85  17.199  -4.115   5.500
  692    H    ASP  86           H        ASP  86  18.898   0.210   4.087
  693    HA   ASP  86           HA       ASP  86  19.560   1.976   6.312
  694   1HB   ASP  86          1HB       ASP  86  21.326   1.083   4.740
  695   2HB   ASP  86          2HB       ASP  86  20.616   2.089   3.480
  696    H    HIS  87           H        HIS  87  19.687   4.375   5.703
  697    HA   HIS  87           HA       HIS  87  18.678   6.328   5.156
  698   1HB   HIS  87          1HB       HIS  87  18.514   5.327   2.837
  699   2HB   HIS  87          2HB       HIS  87  16.895   4.790   3.258
  700    HD1  HIS  87           HD1      HIS  87  18.718   8.146   3.481
  701    HD2  HIS  87           HD2      HIS  87  15.105   6.500   2.213
  702    HE1  HIS  87           HE1      HIS  87  17.373  10.072   2.569
  703    HE2  HIS  87           HE2      HIS  87  15.149   9.073   1.919
  704    HA   PRO  88           HA       PRO  88  15.992   5.609   8.593
  705   1HB   PRO  88          1HB       PRO  88  15.389   8.267   9.042
  706   2HB   PRO  88          2HB       PRO  88  16.844   7.449   9.619
  707   1HG   PRO  88          1HG       PRO  88  16.466   9.164   7.198
  708   2HG   PRO  88          2HG       PRO  88  17.813   9.136   8.352
  709   1HD   PRO  88          1HD       PRO  88  18.032   7.963   5.969
  710   2HD   PRO  88          2HD       PRO  88  18.732   7.211   7.418
  711    H    GLN  89           H        GLN  89  14.952   7.417   5.784
  712    HA   GLN  89           HA       GLN  89  12.275   7.860   6.559
  713   1HB   GLN  89          1HB       GLN  89  13.438   7.590   3.787
  714   2HB   GLN  89          2HB       GLN  89  11.846   8.236   4.161
  715   1HG   GLN  89          1HG       GLN  89  12.894  10.050   5.436
  716   2HG   GLN  89          2HG       GLN  89  14.483   9.409   5.022
  717   1HE2  GLN  89          1HE2      GLN  89  13.358  12.006   4.436
  718   2HE2  GLN  89          2HE2      GLN  89  13.376  12.170   2.710
  719    H    ARG  90           H        ARG  90  13.892   5.021   5.730
  720    HA   ARG  90           HA       ARG  90  11.962   3.464   4.469
  721   1HB   ARG  90          1HB       ARG  90  14.315   2.800   4.859
  722   2HB   ARG  90          2HB       ARG  90  13.960   2.607   6.570
  723   1HG   ARG  90          1HG       ARG  90  12.252   0.885   5.908
  724   2HG   ARG  90          2HG       ARG  90  12.916   0.978   4.273
  725   1HD   ARG  90          1HD       ARG  90  15.150   0.440   5.224
  726   2HD   ARG  90          2HD       ARG  90  14.380   0.200   6.790
  727    HE   ARG  90           HE       ARG  90  13.819  -1.435   4.400
  728   1HH1  ARG  90          1HH1      ARG  90  14.227  -1.094   7.861
  729   2HH1  ARG  90          2HH1      ARG  90  13.880  -2.771   8.184
  730   1HH2  ARG  90          1HH2      ARG  90  13.423  -3.641   4.834
  731   2HH2  ARG  90          2HH2      ARG  90  13.453  -4.207   6.481
  732    H    ALA  91           H        ALA  91  12.426   4.230   7.882
  733    HA   ALA  91           HA       ALA  91  10.545   2.413   8.935
  734   1HB   ALA  91          1HB       ALA  91  11.467   5.046  10.085
  735   2HB   ALA  91          2HB       ALA  91  12.277   3.494  10.293
  736   3HB   ALA  91          3HB       ALA  91  10.668   3.745  10.970
  737    H    LEU  92           H        LEU  92  10.258   5.725   7.770
  738    HA   LEU  92           HA       LEU  92   7.627   6.235   8.623
  739   1HB   LEU  92          1HB       LEU  92   9.047   7.272   6.168
  740   2HB   LEU  92          2HB       LEU  92   7.593   7.958   6.869
  741    HG   LEU  92           HG       LEU  92  10.297   7.851   8.203
  742   1HD1  LEU  92          1HD1      LEU  92  10.187   9.409   6.312
  743   2HD1  LEU  92          2HD1      LEU  92  10.341  10.246   7.855
  744   3HD1  LEU  92          3HD1      LEU  92   8.779  10.179   7.043
  745   1HD2  LEU  92          1HD2      LEU  92   8.467   7.714   9.807
  746   2HD2  LEU  92          2HD2      LEU  92   7.712   9.133   9.079
  747   3HD2  LEU  92          3HD2      LEU  92   9.268   9.283   9.894
  748    H    ILE  93           H        ILE  93   8.925   4.846   5.660
  749    HA   ILE  93           HA       ILE  93   6.437   4.508   4.357
  750    HB   ILE  93           HB       ILE  93   8.981   2.927   3.928
  751   1HG1  ILE  93          1HG1      ILE  93   8.034   5.495   2.627
  752   2HG1  ILE  93          2HG1      ILE  93   9.376   5.349   3.756
  753   1HG2  ILE  93          1HG2      ILE  93   8.091   2.575   1.663
  754   2HG2  ILE  93          2HG2      ILE  93   6.613   3.417   2.124
  755   3HG2  ILE  93          3HG2      ILE  93   7.036   1.890   2.900
  756   1HD1  ILE  93          1HD1      ILE  93  10.587   3.977   2.146
  757   2HD1  ILE  93          2HD1      ILE  93  10.154   5.546   1.463
  758   3HD1  ILE  93          3HD1      ILE  93   9.237   4.106   1.017
  759    H    LEU  94           H        LEU  94   8.467   2.335   6.306
  760    HA   LEU  94           HA       LEU  94   6.847   0.052   6.144
  761   1HB   LEU  94          1HB       LEU  94   8.684   0.988   8.345
  762   2HB   LEU  94          2HB       LEU  94   7.940  -0.598   8.303
  763    HG   LEU  94           HG       LEU  94   9.865   0.469   6.234
  764   1HD1  LEU  94          1HD1      LEU  94  10.265  -1.580   8.409
  765   2HD1  LEU  94          2HD1      LEU  94  10.928   0.054   8.402
  766   3HD1  LEU  94          3HD1      LEU  94  11.449  -1.114   7.188
  767   1HD2  LEU  94          1HD2      LEU  94   8.249  -1.132   5.320
  768   2HD2  LEU  94          2HD2      LEU  94   8.668  -2.280   6.590
  769   3HD2  LEU  94          3HD2      LEU  94   9.872  -1.819   5.386
  770    H    ALA  95           H        ALA  95   6.746   2.817   8.335
  771    HA   ALA  95           HA       ALA  95   4.830   1.866  10.130
  772   1HB   ALA  95          1HB       ALA  95   4.432   4.190  10.706
  773   2HB   ALA  95          2HB       ALA  95   5.237   4.716   9.227
  774   3HB   ALA  95          3HB       ALA  95   6.158   3.900  10.491
  775    H    GLU  96           H        GLU  96   4.407   3.640   7.075
  776    HA   GLU  96           HA       GLU  96   1.556   3.627   7.251
  777   1HB   GLU  96          1HB       GLU  96   3.417   4.152   4.934
  778   2HB   GLU  96          2HB       GLU  96   1.669   4.262   4.807
  779   1HG   GLU  96          1HG       GLU  96   3.543   5.986   6.377
  780   2HG   GLU  96          2HG       GLU  96   2.384   6.452   5.139
  781    H    LEU  97           H        LEU  97   3.974   1.521   5.827
  782    HA   LEU  97           HA       LEU  97   2.232  -0.129   4.359
  783   1HB   LEU  97          1HB       LEU  97   4.865  -0.767   5.684
  784   2HB   LEU  97          2HB       LEU  97   4.010  -1.880   4.634
  785    HG   LEU  97           HG       LEU  97   5.136   0.803   3.844
  786   1HD1  LEU  97          1HD1      LEU  97   6.824  -0.926   4.188
  787   2HD1  LEU  97          2HD1      LEU  97   6.674  -0.492   2.485
  788   3HD1  LEU  97          3HD1      LEU  97   5.958  -1.990   3.080
  789   1HD2  LEU  97          1HD2      LEU  97   3.690  -1.260   2.185
  790   2HD2  LEU  97          2HD2      LEU  97   4.482   0.190   1.565
  791   3HD2  LEU  97          3HD2      LEU  97   3.080   0.335   2.625
  792    H    GLU  98           H        GLU  98   3.357  -0.309   7.722
  793    HA   GLU  98           HA       GLU  98   2.052  -2.726   8.341
  794   1HB   GLU  98          1HB       GLU  98   2.857  -0.451  10.152
  795   2HB   GLU  98          2HB       GLU  98   2.277  -2.012  10.718
  796   1HG   GLU  98          1HG       GLU  98   4.176  -3.058   9.458
  797   2HG   GLU  98          2HG       GLU  98   4.797  -1.430   9.194
  798    H    LYS  99           H        LYS  99   0.930   0.631   8.469
  799    HA   LYS  99           HA       LYS  99  -1.531   0.258   9.702
  800   1HB   LYS  99          1HB       LYS  99  -0.652   2.089   7.487
  801   2HB   LYS  99          2HB       LYS  99  -2.328   2.065   8.009
  802   1HG   LYS  99          1HG       LYS  99  -1.583   2.626  10.294
  803   2HG   LYS  99          2HG       LYS  99   0.071   2.765   9.687
  804   1HD   LYS  99          1HD       LYS  99  -0.659   4.514   8.129
  805   2HD   LYS  99          2HD       LYS  99  -2.305   4.373   8.743
  806   1HE   LYS  99          1HE       LYS  99  -1.306   6.271   9.775
  807   2HE   LYS  99          2HE       LYS  99  -1.433   5.007  10.996
  808   1HZ   LYS  99          1HZ       LYS  99   0.703   6.100  11.108
  809   2HZ   LYS  99          2HZ       LYS  99   1.019   5.734   9.478
  810   3HZ   LYS  99          3HZ       LYS  99   0.908   4.490  10.622
  811    H    LEU 100           H        LEU 100  -0.759   0.029   6.255
  812    HA   LEU 100           HA       LEU 100  -3.305  -0.885   5.432
  813   1HB   LEU 100          1HB       LEU 100  -1.651   0.214   3.964
  814   2HB   LEU 100          2HB       LEU 100  -0.615  -1.191   4.094
  815    HG   LEU 100           HG       LEU 100  -2.394  -2.546   2.999
  816   1HD1  LEU 100          1HD1      LEU 100  -3.701   0.139   2.590
  817   2HD1  LEU 100          2HD1      LEU 100  -4.317  -1.182   3.585
  818   3HD1  LEU 100          3HD1      LEU 100  -4.199  -1.377   1.837
  819   1HD2  LEU 100          1HD2      LEU 100  -1.436  -0.151   1.438
  820   2HD2  LEU 100          2HD2      LEU 100  -1.992  -1.680   0.759
  821   3HD2  LEU 100          3HD2      LEU 100  -0.520  -1.629   1.728
  822    H    ASP 101           H        ASP 101  -0.301  -2.509   6.230
  823    HA   ASP 101           HA       ASP 101  -0.913  -5.121   5.476
  824   1HB   ASP 101          1HB       ASP 101   1.310  -4.078   6.248
  825   2HB   ASP 101          2HB       ASP 101   0.752  -4.393   7.885
  826    H    ALA 102           H        ALA 102  -1.523  -3.388   8.497
  827    HA   ALA 102           HA       ALA 102  -2.638  -5.610   9.879
  828   1HB   ALA 102          1HB       ALA 102  -1.687  -3.682  11.046
  829   2HB   ALA 102          2HB       ALA 102  -3.355  -3.981  11.535
  830   3HB   ALA 102          3HB       ALA 102  -2.984  -2.666  10.420
  831    H    LEU 103           H        LEU 103  -3.892  -3.296   7.625
  832    HA   LEU 103           HA       LEU 103  -6.643  -3.572   8.289
  833   1HB   LEU 103          1HB       LEU 103  -5.398  -2.748   5.663
  834   2HB   LEU 103          2HB       LEU 103  -7.075  -2.521   6.119
  835    HG   LEU 103           HG       LEU 103  -4.715  -1.219   7.478
  836   1HD1  LEU 103          1HD1      LEU 103  -6.767  -0.038   5.618
  837   2HD1  LEU 103          2HD1      LEU 103  -5.082  -0.367   5.218
  838   3HD1  LEU 103          3HD1      LEU 103  -5.478   0.838   6.445
  839   1HD2  LEU 103          1HD2      LEU 103  -6.390   0.116   8.640
  840   2HD2  LEU 103          2HD2      LEU 103  -6.584  -1.600   8.997
  841   3HD2  LEU 103          3HD2      LEU 103  -7.676  -0.807   7.862
  842    H    PHE 104           H        PHE 104  -4.450  -5.280   6.119
  843    HA   PHE 104           HA       PHE 104  -6.470  -6.906   4.918
  844   1HB   PHE 104          1HB       PHE 104  -3.486  -7.342   5.168
  845   2HB   PHE 104          2HB       PHE 104  -4.559  -8.338   4.190
  846    HD1  PHE 104           HD2      PHE 104  -6.101  -6.890   2.554
  847    HD2  PHE 104           HD1      PHE 104  -2.319  -5.699   4.085
  848    HE1  PHE 104           HE2      PHE 104  -5.843  -5.322   0.679
  849    HE2  PHE 104           HE1      PHE 104  -2.051  -4.126   2.214
  850    HZ   PHE 104           HZ       PHE 104  -3.819  -3.942   0.504
  851    H    ALA 105           H        ALA 105  -4.901  -6.918   7.941
  852    HA   ALA 105           HA       ALA 105  -5.700  -9.674   8.508
  853   1HB   ALA 105          1HB       ALA 105  -3.493  -8.964   9.278
  854   2HB   ALA 105          2HB       ALA 105  -4.539  -9.354  10.643
  855   3HB   ALA 105          3HB       ALA 105  -4.229  -7.669  10.222
  856    H    ASP 106           H        ASP 106  -7.081  -6.697   8.460
  857    HA   ASP 106           HA       ASP 106  -8.592  -6.942  10.936
  858   1HB   ASP 106          1HB       ASP 106  -7.701  -4.732  10.109
  859   2HB   ASP 106          2HB       ASP 106  -8.867  -4.827   8.792
  860    H    ASP 107           H        ASP 107  -9.020  -7.247   7.478
  861    HA   ASP 107           HA       ASP 107 -11.874  -7.579   7.630
  862   1HB   ASP 107          1HB       ASP 107 -10.638  -6.683   5.614
  863   2HB   ASP 107          2HB       ASP 107 -10.046  -8.316   5.330
  864    H    ALA 108           H        ALA 108 -12.881  -9.612   6.733
  865    HA   ALA 108           HA       ALA 108 -11.743 -11.863   8.213
  866   1HB   ALA 108          1HB       ALA 108 -14.490 -11.511   7.012
  867   2HB   ALA 108          2HB       ALA 108 -14.053 -11.248   8.701
  868   3HB   ALA 108          3HB       ALA 108 -13.962 -12.868   8.009
  869    H    SER 109           H        SER 109 -11.260 -13.818   7.303
  870    HA   SER 109           HA       SER 109 -11.654 -14.163   4.424
  871   1HB   SER 109          1HB       SER 109  -8.982 -14.437   5.826
  872   2HB   SER 109          2HB       SER 109  -9.301 -14.875   4.148
  873    HG   SER 109           HG       SER 109 -10.174 -12.394   4.533
  874    H    LEU 110           H        LEU 110 -10.341 -16.511   4.036
  875    HA   LEU 110           HA       LEU 110 -12.031 -18.331   5.532
  876   1HB   LEU 110          1HB       LEU 110 -10.149 -18.804   3.218
  877   2HB   LEU 110          2HB       LEU 110 -11.184 -20.028   3.931
  878    HG   LEU 110           HG       LEU 110 -12.119 -17.536   2.503
  879   1HD1  LEU 110          1HD1      LEU 110 -11.181 -19.205   0.997
  880   2HD1  LEU 110          2HD1      LEU 110 -12.933 -19.104   0.814
  881   3HD1  LEU 110          3HD1      LEU 110 -12.216 -20.442   1.711
  882   1HD2  LEU 110          1HD2      LEU 110 -14.354 -18.470   2.743
  883   2HD2  LEU 110          2HD2      LEU 110 -13.624 -18.179   4.322
  884   3HD2  LEU 110          3HD2      LEU 110 -13.703 -19.819   3.675
  885    H    GLU 111           H        GLU 111 -11.155 -20.366   6.350
  886    HA   GLU 111           HA       GLU 111  -9.159 -19.921   8.286
  887   1HB   GLU 111          1HB       GLU 111 -10.173 -22.577   7.270
  888   2HB   GLU 111          2HB       GLU 111  -9.421 -22.263   8.825
  889   1HG   GLU 111          1HG       GLU 111 -11.311 -21.042   9.584
  890   2HG   GLU 111          2HG       GLU 111 -12.028 -21.037   7.970
  891    H    HIS 112           H        HIS 112  -9.098 -21.255   5.074
  892    HA   HIS 112           HA       HIS 112  -6.626 -22.655   5.348
  893   1HB   HIS 112          1HB       HIS 112  -8.495 -23.196   3.729
  894   2HB   HIS 112          2HB       HIS 112  -7.959 -21.820   2.773
  895    HD1  HIS 112           HD1      HIS 112  -6.778 -25.221   3.931
  896    HD2  HIS 112           HD2      HIS 112  -5.834 -22.316   1.111
  897    HE1  HIS 112           HE1      HIS 112  -5.036 -26.258   2.447
  898    HE2  HIS 112           HE2      HIS 112  -4.709 -24.581   0.595
  899    H    HIS 113           H        HIS 113  -7.215 -19.388   5.191
  900    HA   HIS 113           HA       HIS 113  -4.461 -18.949   4.273
  901   1HB   HIS 113          1HB       HIS 113  -6.861 -17.287   3.496
  902   2HB   HIS 113          2HB       HIS 113  -5.198 -16.762   3.272
  903    HD1  HIS 113           HD1      HIS 113  -3.754 -18.135   1.512
  904    HD2  HIS 113           HD2      HIS 113  -7.824 -19.018   1.588
  905    HE1  HIS 113           HE1      HIS 113  -4.223 -19.393  -0.616
  906    HE2  HIS 113           HE2      HIS 113  -6.641 -20.082  -0.452
  907    H    HIS 114           H        HIS 114  -3.432 -18.410   6.060
  908    HA   HIS 114           HA       HIS 114  -4.749 -16.894   8.147
  909   1HB   HIS 114          1HB       HIS 114  -1.946 -18.021   7.943
  910   2HB   HIS 114          2HB       HIS 114  -2.563 -17.157   9.348
  911    HD1  HIS 114           HD1      HIS 114  -3.855 -18.495  11.040
  912    HD2  HIS 114           HD2      HIS 114  -3.301 -20.546   7.454
  913    HE1  HIS 114           HE1      HIS 114  -4.709 -20.828  11.444
  914    HE2  HIS 114           HE2      HIS 114  -4.518 -21.998   9.220
  915    H    HIS 115           H        HIS 115  -3.820 -14.892   8.996
  916    HA   HIS 115           HA       HIS 115  -3.349 -13.173   6.691
  917   1HB   HIS 115          1HB       HIS 115  -4.037 -12.490   9.558
  918   2HB   HIS 115          2HB       HIS 115  -3.892 -11.321   8.252
  919    HD1  HIS 115           HD1      HIS 115  -5.986 -10.821   6.993
  920    HD2  HIS 115           HD2      HIS 115  -6.235 -14.406   9.084
  921    HE1  HIS 115           HE1      HIS 115  -8.369 -11.572   6.768
  922    HE2  HIS 115           HE2      HIS 115  -8.542 -13.633   8.200
  923    H    HIS 116           H        HIS 116  -1.403 -14.797   8.688
  924    HA   HIS 116           HA       HIS 116   0.776 -12.927   8.234
  925   1HB   HIS 116          1HB       HIS 116  -0.234 -13.687  10.908
  926   2HB   HIS 116          2HB       HIS 116   1.512 -13.761  10.697
  927    HD1  HIS 116           HD1      HIS 116  -1.280 -11.399  11.180
  928    HD2  HIS 116           HD2      HIS 116   2.712 -11.247  10.015
  929    HE1  HIS 116           HE1      HIS 116  -0.604  -8.985  11.374
  930    HE2  HIS 116           HE2      HIS 116   1.732  -8.892  10.422
  931    H    HIS 117           H        HIS 117   2.894 -13.940   8.681
  932    HA   HIS 117           HA       HIS 117   2.963 -16.835   8.690
  933   1HB   HIS 117          1HB       HIS 117   2.665 -16.162   6.277
  934   2HB   HIS 117          2HB       HIS 117   4.179 -15.277   6.390
  935    HD1  HIS 117           HD1      HIS 117   2.883 -18.422   5.345
  936    HD2  HIS 117           HD2      HIS 117   6.405 -17.171   7.169
  937    HE1  HIS 117           HE1      HIS 117   4.545 -20.271   4.955
  938    HE2  HIS 117           HE2      HIS 117   6.713 -19.412   5.915
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1 -18.036   3.256   9.615
    2   2H    MET   1          2H        MET   1 -19.164   2.467   8.629
    3   3H    MET   1          3H        MET   1 -19.068   4.159   8.619
    4    HA   MET   1           HA       MET   1 -18.027   3.315   6.653
    5   1HB   MET   1          1HB       MET   1 -15.969   4.199   8.694
    6   2HB   MET   1          2HB       MET   1 -15.752   4.228   6.952
    7   1HG   MET   1          1HG       MET   1 -17.461   5.896   6.715
    8   2HG   MET   1          2HG       MET   1 -17.846   5.795   8.433
    9   1HE   MET   1          1HE       MET   1 -16.211   9.337   8.153
   10   2HE   MET   1          2HE       MET   1 -17.621   8.416   8.678
   11   3HE   MET   1          3HE       MET   1 -17.248   8.554   6.959
   12    H    THR   2           H        THR   2 -17.409   1.461   5.775
   13    HA   THR   2           HA       THR   2 -16.610  -0.771   7.332
   14    HB   THR   2           HB       THR   2 -16.230  -1.901   5.163
   15    HG1  THR   2           HG1      THR   2 -17.196  -0.053   3.497
   16   1HG2  THR   2          1HG2      THR   2 -18.766  -0.271   5.280
   17   2HG2  THR   2          2HG2      THR   2 -18.487  -1.814   6.086
   18   3HG2  THR   2          3HG2      THR   2 -18.528  -1.733   4.325
   19    H    THR   3           H        THR   3 -14.611  -2.008   7.027
   20    HA   THR   3           HA       THR   3 -12.266  -0.552   7.390
   21    HB   THR   3           HB       THR   3 -12.495  -3.384   6.347
   22    HG1  THR   3           HG1      THR   3 -12.013  -3.072   9.033
   23   1HG2  THR   3          1HG2      THR   3 -10.307  -2.001   7.902
   24   2HG2  THR   3          2HG2      THR   3 -10.246  -2.440   6.194
   25   3HG2  THR   3          3HG2      THR   3 -10.324  -3.700   7.426
   26    H    HIS   4           H        HIS   4 -13.730  -1.913   4.501
   27    HA   HIS   4           HA       HIS   4 -11.705  -1.718   2.651
   28   1HB   HIS   4          1HB       HIS   4 -14.656  -1.203   2.316
   29   2HB   HIS   4          2HB       HIS   4 -13.535  -1.272   0.963
   30    HD1  HIS   4           HD1      HIS   4 -15.911  -3.305   2.474
   31    HD2  HIS   4           HD2      HIS   4 -11.984  -3.941   1.292
   32    HE1  HIS   4           HE1      HIS   4 -15.700  -5.789   2.157
   33    HE2  HIS   4           HE2      HIS   4 -13.397  -6.102   1.183
   34    H    ASP   5           H        ASP   5 -13.944   0.858   3.640
   35    HA   ASP   5           HA       ASP   5 -13.031   2.749   1.749
   36   1HB   ASP   5          1HB       ASP   5 -15.193   2.750   3.190
   37   2HB   ASP   5          2HB       ASP   5 -14.192   3.542   4.404
   38    H    ARG   6           H        ARG   6 -12.074   1.996   5.045
   39    HA   ARG   6           HA       ARG   6 -10.322   4.224   5.327
   40   1HB   ARG   6          1HB       ARG   6 -10.593   1.651   6.879
   41   2HB   ARG   6          2HB       ARG   6  -9.464   2.928   7.316
   42   1HG   ARG   6          1HG       ARG   6 -11.329   4.490   7.573
   43   2HG   ARG   6          2HG       ARG   6 -12.458   3.210   7.136
   44   1HD   ARG   6          1HD       ARG   6 -10.577   3.050   9.481
   45   2HD   ARG   6          2HD       ARG   6 -12.230   3.649   9.596
   46    HE   ARG   6           HE       ARG   6 -12.937   1.406   8.819
   47   1HH1  ARG   6          1HH1      ARG   6  -9.771   1.819  10.259
   48   2HH1  ARG   6          2HH1      ARG   6  -9.680   0.175  10.839
   49   1HH2  ARG   6          1HH2      ARG   6 -12.836  -0.748   9.587
   50   2HH2  ARG   6          2HH2      ARG   6 -11.407  -1.294  10.422
   51    H    VAL   7           H        VAL   7  -9.920   0.901   4.216
   52    HA   VAL   7           HA       VAL   7  -7.095   0.971   3.969
   53    HB   VAL   7           HB       VAL   7  -9.072  -0.584   2.280
   54   1HG1  VAL   7          1HG1      VAL   7  -7.192  -2.108   1.870
   55   2HG1  VAL   7          2HG1      VAL   7  -6.126  -1.017   2.756
   56   3HG1  VAL   7          3HG1      VAL   7  -6.877  -0.487   1.250
   57   1HG2  VAL   7          1HG2      VAL   7  -9.370  -1.079   4.635
   58   2HG2  VAL   7          2HG2      VAL   7  -7.639  -1.371   4.812
   59   3HG2  VAL   7          3HG2      VAL   7  -8.616  -2.447   3.813
   60    H    ARG   8           H        ARG   8  -9.754   1.889   1.879
   61    HA   ARG   8           HA       ARG   8  -8.325   2.644  -0.403
   62   1HB   ARG   8          1HB       ARG   8 -10.682   2.457  -0.538
   63   2HB   ARG   8          2HB       ARG   8 -10.924   3.567   0.799
   64   1HG   ARG   8          1HG       ARG   8 -10.065   5.400  -0.611
   65   2HG   ARG   8          2HG       ARG   8  -9.953   4.263  -1.961
   66   1HD   ARG   8          1HD       ARG   8 -12.297   3.880  -1.937
   67   2HD   ARG   8          2HD       ARG   8 -12.484   4.771  -0.427
   68    HE   ARG   8           HE       ARG   8 -11.972   5.922  -3.080
   69   1HH1  ARG   8          1HH1      ARG   8 -12.838   6.320   0.301
   70   2HH1  ARG   8          2HH1      ARG   8 -13.319   7.980   0.116
   71   1HH2  ARG   8          1HH2      ARG   8 -12.644   8.086  -3.326
   72   2HH2  ARG   8          2HH2      ARG   8 -13.226   8.980  -1.957
   73    H    LEU   9           H        LEU   9  -9.182   4.478   2.504
   74    HA   LEU   9           HA       LEU   9  -8.022   6.930   1.728
   75   1HB   LEU   9          1HB       LEU   9  -8.371   5.797   4.508
   76   2HB   LEU   9          2HB       LEU   9  -8.063   7.478   4.122
   77    HG   LEU   9           HG       LEU   9 -10.550   5.943   3.355
   78   1HD1  LEU   9          1HD1      LEU   9 -10.408   6.350   5.757
   79   2HD1  LEU   9          2HD1      LEU   9 -11.665   7.340   5.015
   80   3HD1  LEU   9          3HD1      LEU   9 -10.119   8.063   5.455
   81   1HD2  LEU   9          1HD2      LEU   9  -9.848   8.861   3.040
   82   2HD2  LEU   9          2HD2      LEU   9 -11.419   8.138   2.695
   83   3HD2  LEU   9          3HD2      LEU   9 -10.010   7.683   1.737
   84    H    GLN  10           H        GLN  10  -6.758   4.078   3.336
   85    HA   GLN  10           HA       GLN  10  -4.221   5.055   4.019
   86   1HB   GLN  10          1HB       GLN  10  -5.143   2.961   4.903
   87   2HB   GLN  10          2HB       GLN  10  -5.067   2.239   3.303
   88   1HG   GLN  10          1HG       GLN  10  -3.238   1.494   4.733
   89   2HG   GLN  10          2HG       GLN  10  -2.652   2.375   3.323
   90   1HE2  GLN  10          1HE2      GLN  10  -0.713   2.883   4.308
   91   2HE2  GLN  10          2HE2      GLN  10  -0.593   4.076   5.561
   92    H    LEU  11           H        LEU  11  -5.413   3.515   1.052
   93    HA   LEU  11           HA       LEU  11  -2.978   3.403  -0.337
   94   1HB   LEU  11          1HB       LEU  11  -5.771   3.831  -1.396
   95   2HB   LEU  11          2HB       LEU  11  -4.380   3.454  -2.392
   96    HG   LEU  11           HG       LEU  11  -5.585   1.666  -0.282
   97   1HD1  LEU  11          1HD1      LEU  11  -6.215   0.270  -2.182
   98   2HD1  LEU  11          2HD1      LEU  11  -5.553   1.470  -3.291
   99   3HD1  LEU  11          3HD1      LEU  11  -6.952   1.867  -2.292
  100   1HD2  LEU  11          1HD2      LEU  11  -3.179   1.350  -0.405
  101   2HD2  LEU  11          2HD2      LEU  11  -3.268   1.208  -2.159
  102   3HD2  LEU  11          3HD2      LEU  11  -4.010  -0.022  -1.138
  103    H    GLN  12           H        GLN  12  -5.352   5.981   0.002
  104    HA   GLN  12           HA       GLN  12  -4.176   7.796  -1.808
  105   1HB   GLN  12          1HB       GLN  12  -5.876   8.336   0.632
  106   2HB   GLN  12          2HB       GLN  12  -5.505   9.510  -0.621
  107   1HG   GLN  12          1HG       GLN  12  -6.657   8.107  -2.267
  108   2HG   GLN  12          2HG       GLN  12  -7.050   6.949  -0.996
  109   1HE2  GLN  12          1HE2      GLN  12  -8.771   8.545  -2.750
  110   2HE2  GLN  12          2HE2      GLN  12  -9.810   9.438  -1.693
  111    H    ALA  13           H        ALA  13  -3.629   7.113   1.595
  112    HA   ALA  13           HA       ALA  13  -1.820   9.251   2.081
  113   1HB   ALA  13          1HB       ALA  13  -1.182   8.013   4.083
  114   2HB   ALA  13          2HB       ALA  13  -2.016   6.582   3.478
  115   3HB   ALA  13          3HB       ALA  13  -2.937   8.027   3.894
  116    H    LEU  14           H        LEU  14  -1.410   5.887   1.058
  117    HA   LEU  14           HA       LEU  14   1.387   5.814   0.971
  118   1HB   LEU  14          1HB       LEU  14  -0.612   4.400  -0.800
  119   2HB   LEU  14          2HB       LEU  14   1.094   4.011  -0.716
  120    HG   LEU  14           HG       LEU  14  -0.848   3.772   1.584
  121   1HD1  LEU  14          1HD1      LEU  14  -1.308   2.131  -0.154
  122   2HD1  LEU  14          2HD1      LEU  14  -0.592   1.357   1.259
  123   3HD1  LEU  14          3HD1      LEU  14   0.390   1.657  -0.175
  124   1HD2  LEU  14          1HD2      LEU  14   1.414   4.242   2.331
  125   2HD2  LEU  14          2HD2      LEU  14   2.042   2.952   1.305
  126   3HD2  LEU  14          3HD2      LEU  14   0.996   2.562   2.671
  127    H    GLU  15           H        GLU  15  -0.970   6.879  -1.429
  128    HA   GLU  15           HA       GLU  15   0.775   7.419  -3.545
  129   1HB   GLU  15          1HB       GLU  15  -1.721   7.423  -3.655
  130   2HB   GLU  15          2HB       GLU  15  -1.720   8.957  -2.797
  131   1HG   GLU  15          1HG       GLU  15  -0.324   9.877  -4.674
  132   2HG   GLU  15          2HG       GLU  15  -0.655   8.381  -5.545
  133    H    ALA  16           H        ALA  16  -0.295   9.470  -0.864
  134    HA   ALA  16           HA       ALA  16   1.122  11.788  -1.600
  135   1HB   ALA  16          1HB       ALA  16   0.773  12.528   0.693
  136   2HB   ALA  16          2HB       ALA  16   0.321  10.889   1.168
  137   3HB   ALA  16          3HB       ALA  16  -0.696  11.795   0.045
  138    H    LEU  17           H        LEU  17   2.046   8.913   0.184
  139    HA   LEU  17           HA       LEU  17   4.542   9.879   1.127
  140   1HB   LEU  17          1HB       LEU  17   3.347   7.835   1.966
  141   2HB   LEU  17          2HB       LEU  17   3.803   7.026   0.477
  142    HG   LEU  17           HG       LEU  17   6.231   7.759   1.227
  143   1HD1  LEU  17          1HD1      LEU  17   4.735   7.571   3.833
  144   2HD1  LEU  17          2HD1      LEU  17   5.523   9.007   3.179
  145   3HD1  LEU  17          3HD1      LEU  17   6.489   7.610   3.654
  146   1HD2  LEU  17          1HD2      LEU  17   5.562   5.493   0.806
  147   2HD2  LEU  17          2HD2      LEU  17   4.700   5.422   2.344
  148   3HD2  LEU  17          3HD2      LEU  17   6.460   5.567   2.321
  149    H    LEU  18           H        LEU  18   3.534   8.116  -1.771
  150    HA   LEU  18           HA       LEU  18   6.148   7.912  -2.881
  151   1HB   LEU  18          1HB       LEU  18   3.430   7.704  -4.174
  152   2HB   LEU  18          2HB       LEU  18   4.941   7.334  -4.982
  153    HG   LEU  18           HG       LEU  18   3.807   5.873  -2.593
  154   1HD1  LEU  18          1HD1      LEU  18   4.145   5.030  -5.468
  155   2HD1  LEU  18          2HD1      LEU  18   2.616   5.411  -4.674
  156   3HD1  LEU  18          3HD1      LEU  18   3.557   4.012  -4.154
  157   1HD2  LEU  18          1HD2      LEU  18   6.250   5.959  -2.533
  158   2HD2  LEU  18          2HD2      LEU  18   6.316   5.352  -4.187
  159   3HD2  LEU  18          3HD2      LEU  18   5.677   4.330  -2.900
  160    H    ARG  19           H        ARG  19   3.983  10.511  -2.585
  161    HA   ARG  19           HA       ARG  19   4.983  12.021  -4.798
  162   1HB   ARG  19          1HB       ARG  19   2.823  12.550  -3.736
  163   2HB   ARG  19          2HB       ARG  19   3.659  12.971  -2.248
  164   1HG   ARG  19          1HG       ARG  19   4.666  14.873  -3.247
  165   2HG   ARG  19          2HG       ARG  19   4.148  14.376  -4.859
  166   1HD   ARG  19          1HD       ARG  19   2.749  16.179  -4.017
  167   2HD   ARG  19          2HD       ARG  19   1.815  14.699  -4.213
  168    HE   ARG  19           HE       ARG  19   2.699  14.771  -1.571
  169   1HH1  ARG  19          1HH1      ARG  19   0.632  16.665  -3.672
  170   2HH1  ARG  19          2HH1      ARG  19  -0.406  17.201  -2.389
  171   1HH2  ARG  19          1HH2      ARG  19   1.312  15.480   0.133
  172   2HH2  ARG  19          2HH2      ARG  19  -0.014  16.546  -0.240
  173    H    GLU  20           H        GLU  20   5.824  11.704  -1.383
  174    HA   GLU  20           HA       GLU  20   7.905  13.653  -1.384
  175   1HB   GLU  20          1HB       GLU  20   7.660  11.219   0.387
  176   2HB   GLU  20          2HB       GLU  20   8.629  12.645   0.701
  177   1HG   GLU  20          1HG       GLU  20   6.600  13.972   0.947
  178   2HG   GLU  20          2HG       GLU  20   5.625  12.534   0.620
  179    H    HIS  21           H        HIS  21   7.882  10.110  -1.515
  180    HA   HIS  21           HA       HIS  21  10.785  10.141  -1.903
  181   1HB   HIS  21          1HB       HIS  21   9.030   7.735  -1.391
  182   2HB   HIS  21          2HB       HIS  21  10.769   7.877  -1.142
  183    HD1  HIS  21           HD1      HIS  21  11.478   9.597   0.851
  184    HD2  HIS  21           HD2      HIS  21   7.508   8.381   0.775
  185    HE1  HIS  21           HE1      HIS  21  10.538  10.215   3.096
  186    HE2  HIS  21           HE2      HIS  21   8.067   9.769   2.878
  187    H    GLN  22           H        GLN  22   8.481  10.576  -3.885
  188    HA   GLN  22           HA       GLN  22   8.102  10.300  -6.081
  189   1HB   GLN  22          1HB       GLN  22  10.988   9.414  -6.084
  190   2HB   GLN  22          2HB       GLN  22  10.071   9.918  -7.498
  191   1HG   GLN  22          1HG       GLN  22   9.754  12.133  -6.463
  192   2HG   GLN  22          2HG       GLN  22  10.778  11.621  -5.123
  193   1HE2  GLN  22          1HE2      GLN  22  11.134  13.796  -7.031
  194   2HE2  GLN  22          2HE2      GLN  22  12.658  13.510  -7.796
  195    H    HIS  23           H        HIS  23   9.641   8.193  -7.694
  196    HA   HIS  23           HA       HIS  23   9.197   6.160  -8.554
  197   1HB   HIS  23          1HB       HIS  23   7.902   5.596  -5.886
  198   2HB   HIS  23          2HB       HIS  23   7.956   4.425  -7.200
  199    HD1  HIS  23           HD1      HIS  23  10.100   3.113  -7.514
  200    HD2  HIS  23           HD2      HIS  23  10.466   6.257  -4.799
  201    HE1  HIS  23           HE1      HIS  23  12.357   2.835  -6.439
  202    HE2  HIS  23           HE2      HIS  23  12.645   4.875  -4.986
  203    H    TRP  24           H        TRP  24   6.453   7.676  -6.883
  204    HA   TRP  24           HA       TRP  24   4.582   6.947  -8.926
  205   1HB   TRP  24          1HB       TRP  24   3.970   7.648  -6.565
  206   2HB   TRP  24          2HB       TRP  24   4.375   9.297  -7.026
  207    HD1  TRP  24           HD1      TRP  24   2.723  10.493  -8.843
  208    HE1  TRP  24           HE1      TRP  24   0.239  10.070  -9.381
  209    HE3  TRP  24           HE3      TRP  24   2.205   5.865  -6.719
  210    HZ2  TRP  24           HZ2      TRP  24  -1.677   8.044  -8.965
  211    HZ3  TRP  24           HZ3      TRP  24   0.009   4.757  -6.835
  212    HH2  TRP  24           HH2      TRP  24  -1.890   5.826  -7.934
  213    H    ARG  25           H        ARG  25   6.285   7.495 -10.555
  214    HA   ARG  25           HA       ARG  25   5.948  10.276 -11.451
  215   1HB   ARG  25          1HB       ARG  25   8.405   8.528 -11.720
  216   2HB   ARG  25          2HB       ARG  25   8.200  10.083 -12.507
  217   1HG   ARG  25          1HG       ARG  25   8.185   9.685  -9.523
  218   2HG   ARG  25          2HG       ARG  25   9.606  10.135 -10.466
  219   1HD   ARG  25          1HD       ARG  25   7.045  11.709 -10.205
  220   2HD   ARG  25          2HD       ARG  25   8.607  12.114  -9.494
  221    HE   ARG  25           HE       ARG  25   7.858  12.311 -12.327
  222   1HH1  ARG  25          1HH1      ARG  25  10.267  12.804  -9.813
  223   2HH1  ARG  25          2HH1      ARG  25  11.241  13.873 -10.778
  224   1HH2  ARG  25          1HH2      ARG  25   9.129  13.742 -13.574
  225   2HH2  ARG  25          2HH2      ARG  25  10.585  14.411 -12.904
  226    H    ASN  26           H        ASN  26   4.238   9.755 -12.801
  227    HA   ASN  26           HA       ASN  26   4.494   7.578 -14.683
  228   1HB   ASN  26          1HB       ASN  26   2.280   8.283 -15.492
  229   2HB   ASN  26          2HB       ASN  26   2.295   8.067 -13.746
  230   1HD2  ASN  26          1HD2      ASN  26   0.532   9.623 -15.486
  231   2HD2  ASN  26          2HD2      ASN  26   0.580  11.243 -14.879
  232    H    ASP  27           H        ASP  27   6.056  10.287 -14.547
  233    HA   ASP  27           HA       ASP  27   5.862  11.621 -16.974
  234   1HB   ASP  27          1HB       ASP  27   8.426  10.914 -15.513
  235   2HB   ASP  27          2HB       ASP  27   8.204  12.235 -16.654
  236    H    GLU  28           H        GLU  28   7.418   8.597 -16.126
  237    HA   GLU  28           HA       GLU  28   7.702   7.976 -18.974
  238   1HB   GLU  28          1HB       GLU  28   9.919   8.623 -18.214
  239   2HB   GLU  28          2HB       GLU  28   9.800   7.531 -16.841
  240   1HG   GLU  28          1HG       GLU  28   9.721   5.624 -18.385
  241   2HG   GLU  28          2HG       GLU  28   9.896   6.734 -19.743
  242    HA   PRO  29           HA       PRO  29   5.564   4.345 -17.363
  243   1HB   PRO  29          1HB       PRO  29   5.475   3.582 -20.188
  244   2HB   PRO  29          2HB       PRO  29   4.140   3.898 -19.078
  245   1HG   PRO  29          1HG       PRO  29   4.756   5.554 -21.123
  246   2HG   PRO  29          2HG       PRO  29   4.066   6.135 -19.598
  247   1HD   PRO  29          1HD       PRO  29   6.902   6.206 -20.547
  248   2HD   PRO  29          2HD       PRO  29   5.979   7.436 -19.657
  249    H    GLN  30           H        GLN  30   6.175   2.133 -17.209
  250    HA   GLN  30           HA       GLN  30   8.750   1.477 -18.463
  251   1HB   GLN  30          1HB       GLN  30   7.934   0.643 -15.672
  252   2HB   GLN  30          2HB       GLN  30   9.485   0.368 -16.448
  253   1HG   GLN  30          1HG       GLN  30   9.851   2.818 -16.477
  254   2HG   GLN  30          2HG       GLN  30   8.351   3.015 -15.574
  255   1HE2  GLN  30          1HE2      GLN  30   8.257   2.271 -13.421
  256   2HE2  GLN  30          2HE2      GLN  30   9.694   1.997 -12.489
  257    HA   PRO  31           HA       PRO  31   5.373  -1.614 -19.486
  258   1HB   PRO  31          1HB       PRO  31   7.016  -1.703 -21.959
  259   2HB   PRO  31          2HB       PRO  31   5.259  -1.625 -21.777
  260   1HG   PRO  31          1HG       PRO  31   6.646   0.511 -22.559
  261   2HG   PRO  31          2HG       PRO  31   5.262   0.669 -21.461
  262   1HD   PRO  31          1HD       PRO  31   8.190   0.763 -20.850
  263   2HD   PRO  31          2HD       PRO  31   6.864   1.729 -20.170
  264    H    HIS  32           H        HIS  32   8.853  -1.634 -20.072
  265    HA   HIS  32           HA       HIS  32   9.221  -4.411 -20.210
  266   1HB   HIS  32          1HB       HIS  32  10.899  -2.663 -20.863
  267   2HB   HIS  32          2HB       HIS  32  11.190  -2.368 -19.153
  268    HD1  HIS  32           HD1      HIS  32  12.237  -4.454 -21.950
  269    HD2  HIS  32           HD2      HIS  32  12.378  -4.676 -17.796
  270    HE1  HIS  32           HE1      HIS  32  13.928  -6.243 -21.418
  271    HE2  HIS  32           HE2      HIS  32  14.123  -6.232 -18.902
  272    H    GLN  33           H        GLN  33   8.695  -2.276 -17.496
  273    HA   GLN  33           HA       GLN  33   9.752  -4.123 -15.546
  274   1HB   GLN  33          1HB       GLN  33   9.827  -1.744 -15.075
  275   2HB   GLN  33          2HB       GLN  33   8.082  -1.618 -15.251
  276   1HG   GLN  33          1HG       GLN  33   8.834  -3.581 -13.258
  277   2HG   GLN  33          2HG       GLN  33   9.489  -1.983 -12.902
  278   1HE2  GLN  33          1HE2      GLN  33   8.093  -0.298 -12.442
  279   2HE2  GLN  33          2HE2      GLN  33   6.422  -0.549 -12.089
  280    H    PHE  34           H        PHE  34   6.533  -3.105 -16.625
  281    HA   PHE  34           HA       PHE  34   5.161  -4.803 -14.786
  282   1HB   PHE  34          1HB       PHE  34   4.210  -3.270 -17.205
  283   2HB   PHE  34          2HB       PHE  34   3.138  -4.178 -16.145
  284    HD1  PHE  34           HD2      PHE  34   2.693  -3.421 -13.883
  285    HD2  PHE  34           HD1      PHE  34   5.202  -1.194 -16.498
  286    HE1  PHE  34           HE2      PHE  34   2.507  -1.470 -12.395
  287    HE2  PHE  34           HE1      PHE  34   5.025   0.758 -15.013
  288    HZ   PHE  34           HZ       PHE  34   3.677   0.621 -12.958
  289    H    ASN  35           H        ASN  35   6.816  -5.513 -17.595
  290    HA   ASN  35           HA       ASN  35   5.128  -7.647 -18.521
  291   1HB   ASN  35          1HB       ASN  35   8.006  -6.937 -19.103
  292   2HB   ASN  35          2HB       ASN  35   7.217  -8.355 -19.786
  293   1HD2  ASN  35          1HD2      ASN  35   8.317  -6.121 -21.189
  294   2HD2  ASN  35          2HD2      ASN  35   7.017  -5.386 -22.072
  295    H    SER  36           H        SER  36   7.436  -7.251 -16.026
  296    HA   SER  36           HA       SER  36   8.004 -10.033 -15.684
  297   1HB   SER  36          1HB       SER  36   9.425  -8.139 -14.792
  298   2HB   SER  36          2HB       SER  36   8.166  -7.855 -13.592
  299    HG   SER  36           HG       SER  36   9.241 -10.430 -13.901
  300    H    THR  37           H        THR  37   6.481 -11.436 -15.173
  301    HA   THR  37           HA       THR  37   3.978 -10.457 -14.075
  302    HB   THR  37           HB       THR  37   3.930 -11.885 -16.070
  303    HG1  THR  37           HG1      THR  37   2.664 -12.627 -13.686
  304   1HG2  THR  37          1HG2      THR  37   4.498 -14.259 -15.932
  305   2HG2  THR  37          2HG2      THR  37   5.035 -14.042 -14.267
  306   3HG2  THR  37          3HG2      THR  37   5.905 -13.253 -15.583
  307    H    GLN  38           H        GLN  38   6.633 -11.100 -12.596
  308    HA   GLN  38           HA       GLN  38   5.645 -12.951 -10.569
  309   1HB   GLN  38          1HB       GLN  38   7.902 -12.812  -9.638
  310   2HB   GLN  38          2HB       GLN  38   7.975 -13.178 -11.356
  311   1HG   GLN  38          1HG       GLN  38   8.407 -10.778 -11.796
  312   2HG   GLN  38          2HG       GLN  38   8.466 -10.511 -10.056
  313   1HE2  GLN  38          1HE2      GLN  38  10.206 -11.305  -8.879
  314   2HE2  GLN  38          2HE2      GLN  38  11.689 -11.792  -9.644
  315    HA   PRO  39           HA       PRO  39   4.343  -9.829  -7.734
  316   1HB   PRO  39          1HB       PRO  39   5.781 -11.209  -5.557
  317   2HB   PRO  39          2HB       PRO  39   4.052 -10.896  -5.740
  318   1HG   PRO  39          1HG       PRO  39   5.068 -13.359  -6.030
  319   2HG   PRO  39          2HG       PRO  39   3.711 -12.790  -7.022
  320   1HD   PRO  39          1HD       PRO  39   6.610 -13.031  -7.736
  321   2HD   PRO  39          2HD       PRO  39   5.175 -13.409  -8.712
  322    H    PHE  40           H        PHE  40   5.047  -7.901  -7.105
  323    HA   PHE  40           HA       PHE  40   6.309  -6.214  -6.284
  324   1HB   PHE  40          1HB       PHE  40   8.244  -8.392  -5.493
  325   2HB   PHE  40          2HB       PHE  40   8.399  -6.702  -5.032
  326    HD1  PHE  40           HD2      PHE  40   6.587  -5.673  -3.606
  327    HD2  PHE  40           HD1      PHE  40   6.911  -9.862  -4.271
  328    HE1  PHE  40           HE2      PHE  40   5.198  -6.093  -1.620
  329    HE2  PHE  40           HE1      PHE  40   5.521 -10.290  -2.289
  330    HZ   PHE  40           HZ       PHE  40   4.668  -8.409  -0.962
  331    H    PHE  41           H        PHE  41   7.169  -8.053  -8.875
  332    HA   PHE  41           HA       PHE  41   8.568  -7.810 -10.657
  333   1HB   PHE  41          1HB       PHE  41   8.664  -4.916  -9.766
  334   2HB   PHE  41          2HB       PHE  41   9.048  -5.520 -11.373
  335    HD1  PHE  41           HD2      PHE  41   7.125  -6.770 -12.612
  336    HD2  PHE  41           HD1      PHE  41   6.532  -4.167  -9.301
  337    HE1  PHE  41           HE2      PHE  41   4.779  -6.469 -13.274
  338    HE2  PHE  41           HE1      PHE  41   4.181  -3.867  -9.956
  339    HZ   PHE  41           HZ       PHE  41   3.302  -5.019 -11.945
  340    H    MET  42           H        MET  42   9.775  -8.743  -8.360
  341    HA   MET  42           HA       MET  42  11.908  -7.412  -7.251
  342   1HB   MET  42          1HB       MET  42  11.806 -10.369  -7.851
  343   2HB   MET  42          2HB       MET  42  12.784  -9.589  -6.618
  344   1HG   MET  42          1HG       MET  42  10.819  -8.954  -5.391
  345   2HG   MET  42          2HG       MET  42   9.777  -9.577  -6.670
  346   1HE   MET  42          1HE       MET  42   9.282 -10.413  -3.705
  347   2HE   MET  42          2HE       MET  42   9.074 -12.159  -3.853
  348   3HE   MET  42          3HE       MET  42   8.371 -11.079  -5.059
  349    H    ASP  43           H        ASP  43  11.858  -9.191 -10.297
  350    HA   ASP  43           HA       ASP  43  14.750  -8.860 -10.555
  351   1HB   ASP  43          1HB       ASP  43  12.772 -10.610 -12.012
  352   2HB   ASP  43          2HB       ASP  43  14.449 -10.436 -12.523
  353    H    THR  44           H        THR  44  12.657  -6.703 -11.042
  354    HA   THR  44           HA       THR  44  13.365  -6.120 -13.832
  355    HB   THR  44           HB       THR  44  11.786  -4.227 -13.682
  356    HG1  THR  44           HG1      THR  44  10.933  -5.261 -11.178
  357   1HG2  THR  44          1HG2      THR  44  10.611  -6.871 -12.835
  358   2HG2  THR  44          2HG2      THR  44  10.991  -6.384 -14.486
  359   3HG2  THR  44          3HG2      THR  44   9.726  -5.544 -13.588
  360    H    MET  45           H        MET  45  13.202  -4.380 -10.736
  361    HA   MET  45           HA       MET  45  15.840  -3.280 -11.109
  362   1HB   MET  45          1HB       MET  45  14.430  -1.783 -12.493
  363   2HB   MET  45          2HB       MET  45  13.438  -1.440 -11.082
  364   1HG   MET  45          1HG       MET  45  15.320  -0.399  -9.974
  365   2HG   MET  45          2HG       MET  45  16.376  -0.813 -11.323
  366   1HE   MET  45          1HE       MET  45  13.288   1.344 -10.170
  367   2HE   MET  45          2HE       MET  45  12.647   0.425 -11.531
  368   3HE   MET  45          3HE       MET  45  12.866   2.171 -11.667
  369    H    GLU  46           H        GLU  46  12.904  -2.248  -9.351
  370    HA   GLU  46           HA       GLU  46  14.206  -3.020  -6.837
  371   1HB   GLU  46          1HB       GLU  46  12.843  -0.352  -7.278
  372   2HB   GLU  46          2HB       GLU  46  13.545  -0.922  -5.772
  373   1HG   GLU  46          1HG       GLU  46  15.747  -1.041  -7.005
  374   2HG   GLU  46          2HG       GLU  46  14.956  -0.141  -8.297
  375    HA   PRO  47           HA       PRO  47  10.258  -4.762  -5.880
  376   1HB   PRO  47          1HB       PRO  47  10.724  -4.026  -3.063
  377   2HB   PRO  47          2HB       PRO  47  10.534  -5.622  -3.791
  378   1HG   PRO  47          1HG       PRO  47  12.913  -4.766  -2.908
  379   2HG   PRO  47          2HG       PRO  47  12.769  -5.779  -4.358
  380   1HD   PRO  47          1HD       PRO  47  13.192  -2.821  -4.145
  381   2HD   PRO  47          2HD       PRO  47  13.941  -3.989  -5.254
  382    H    LEU  48           H        LEU  48  11.015  -1.503  -5.133
  383    HA   LEU  48           HA       LEU  48   8.523  -0.788  -3.919
  384   1HB   LEU  48          1HB       LEU  48  10.790   0.825  -5.065
  385   2HB   LEU  48          2HB       LEU  48   9.331   1.577  -4.451
  386    HG   LEU  48           HG       LEU  48  11.207  -0.151  -2.832
  387   1HD1  LEU  48          1HD1      LEU  48  11.776   1.951  -1.705
  388   2HD1  LEU  48          2HD1      LEU  48  10.774   2.830  -2.861
  389   3HD1  LEU  48          3HD1      LEU  48  12.216   1.979  -3.413
  390   1HD2  LEU  48          1HD2      LEU  48   8.769   1.444  -2.049
  391   2HD2  LEU  48          2HD2      LEU  48   9.876   0.657  -0.925
  392   3HD2  LEU  48          3HD2      LEU  48   8.917  -0.314  -2.043
  393    H    GLU  49           H        GLU  49   9.449  -1.413  -7.108
  394    HA   GLU  49           HA       GLU  49   7.826   0.528  -8.421
  395   1HB   GLU  49          1HB       GLU  49   8.975  -2.065  -9.462
  396   2HB   GLU  49          2HB       GLU  49   8.285  -0.783 -10.450
  397   1HG   GLU  49          1HG       GLU  49  10.748  -0.596  -8.729
  398   2HG   GLU  49          2HG       GLU  49  10.694  -0.659 -10.490
  399    H    TRP  50           H        TRP  50   7.139  -2.379  -6.825
  400    HA   TRP  50           HA       TRP  50   4.768  -3.070  -8.270
  401   1HB   TRP  50          1HB       TRP  50   6.068  -4.669  -6.849
  402   2HB   TRP  50          2HB       TRP  50   5.521  -3.785  -5.429
  403    HD1  TRP  50           HD1      TRP  50   4.043  -5.851  -8.343
  404    HE1  TRP  50           HE1      TRP  50   1.874  -6.957  -7.518
  405    HE3  TRP  50           HE3      TRP  50   3.804  -3.760  -3.692
  406    HZ2  TRP  50           HZ2      TRP  50   0.263  -6.934  -5.191
  407    HZ3  TRP  50           HZ3      TRP  50   1.921  -4.348  -2.227
  408    HH2  TRP  50           HH2      TRP  50   0.187  -5.900  -2.962
  409    H    LEU  51           H        LEU  51   5.593  -0.983  -5.606
  410    HA   LEU  51           HA       LEU  51   2.880  -0.426  -4.830
  411   1HB   LEU  51          1HB       LEU  51   5.373   1.178  -4.252
  412   2HB   LEU  51          2HB       LEU  51   3.844   1.280  -3.403
  413    HG   LEU  51           HG       LEU  51   5.722  -1.084  -3.377
  414   1HD1  LEU  51          1HD1      LEU  51   6.053  -0.469  -1.022
  415   2HD1  LEU  51          2HD1      LEU  51   5.070   0.974  -1.275
  416   3HD1  LEU  51          3HD1      LEU  51   6.603   0.791  -2.126
  417   1HD2  LEU  51          1HD2      LEU  51   3.133  -0.612  -1.903
  418   2HD2  LEU  51          2HD2      LEU  51   4.238  -1.960  -1.630
  419   3HD2  LEU  51          3HD2      LEU  51   3.409  -1.800  -3.179
  420    H    GLN  52           H        GLN  52   5.049   0.629  -7.225
  421    HA   GLN  52           HA       GLN  52   4.522   3.325  -7.520
  422   1HB   GLN  52          1HB       GLN  52   6.334   2.074  -8.657
  423   2HB   GLN  52          2HB       GLN  52   5.135   1.339  -9.711
  424   1HG   GLN  52          1HG       GLN  52   4.528   3.593 -10.522
  425   2HG   GLN  52          2HG       GLN  52   5.835   4.256  -9.543
  426   1HE2  GLN  52          1HE2      GLN  52   7.015   5.039 -11.212
  427   2HE2  GLN  52          2HE2      GLN  52   7.822   4.036 -12.365
  428    H    TRP  53           H        TRP  53   3.075   0.739  -9.547
  429    HA   TRP  53           HA       TRP  53   0.781   2.536  -9.932
  430   1HB   TRP  53          1HB       TRP  53   2.528   2.593 -11.804
  431   2HB   TRP  53          2HB       TRP  53   2.004   0.960 -12.191
  432    HD1  TRP  53           HD1      TRP  53   0.120   0.801 -13.912
  433    HE1  TRP  53           HE1      TRP  53  -1.627   2.422 -14.885
  434    HE3  TRP  53           HE3      TRP  53   1.046   4.864 -10.946
  435    HZ2  TRP  53           HZ2      TRP  53  -2.499   5.074 -14.450
  436    HZ3  TRP  53           HZ3      TRP  53  -0.289   6.903 -11.291
  437    HH2  TRP  53           HH2      TRP  53  -2.024   7.003 -13.007
  438    H    VAL  54           H        VAL  54   1.569  -0.274  -8.646
  439    HA   VAL  54           HA       VAL  54  -0.694  -1.713  -9.847
  440    HB   VAL  54           HB       VAL  54   1.498  -2.884  -8.131
  441   1HG1  VAL  54          1HG1      VAL  54  -0.770  -4.166  -9.664
  442   2HG1  VAL  54          2HG1      VAL  54  -0.581  -4.108  -7.912
  443   3HG1  VAL  54          3HG1      VAL  54   0.552  -5.044  -8.888
  444   1HG2  VAL  54          1HG2      VAL  54   2.345  -2.158 -10.301
  445   2HG2  VAL  54          2HG2      VAL  54   1.056  -3.047 -11.113
  446   3HG2  VAL  54          3HG2      VAL  54   2.291  -3.917 -10.204
  447    H    LEU  55           H        LEU  55   0.810  -1.628  -6.584
  448    HA   LEU  55           HA       LEU  55  -1.334  -2.748  -5.277
  449   1HB   LEU  55          1HB       LEU  55   0.854  -2.452  -4.244
  450   2HB   LEU  55          2HB       LEU  55   0.588  -0.720  -4.147
  451    HG   LEU  55           HG       LEU  55  -1.313  -1.116  -2.612
  452   1HD1  LEU  55          1HD1      LEU  55  -1.634  -3.325  -1.630
  453   2HD1  LEU  55          2HD1      LEU  55  -0.451  -3.993  -2.753
  454   3HD1  LEU  55          3HD1      LEU  55  -1.965  -3.326  -3.363
  455   1HD2  LEU  55          1HD2      LEU  55   0.906  -0.669  -1.711
  456   2HD2  LEU  55          2HD2      LEU  55   1.262  -2.396  -1.732
  457   3HD2  LEU  55          3HD2      LEU  55  -0.001  -1.769  -0.673
  458    H    ILE  56           H        ILE  56  -0.682   0.775  -5.383
  459    HA   ILE  56           HA       ILE  56  -2.979   1.441  -3.927
  460    HB   ILE  56           HB       ILE  56  -1.518   3.224  -5.878
  461   1HG1  ILE  56          1HG1      ILE  56  -1.145   2.850  -2.900
  462   2HG1  ILE  56          2HG1      ILE  56  -0.048   2.256  -4.141
  463   1HG2  ILE  56          1HG2      ILE  56  -2.450   5.056  -4.563
  464   2HG2  ILE  56          2HG2      ILE  56  -3.335   3.898  -3.572
  465   3HG2  ILE  56          3HG2      ILE  56  -3.723   4.073  -5.283
  466   1HD1  ILE  56          1HD1      ILE  56  -0.674   5.138  -3.557
  467   2HD1  ILE  56          2HD1      ILE  56   0.405   4.560  -4.825
  468   3HD1  ILE  56          3HD1      ILE  56   0.804   4.277  -3.130
  469    HA   PRO  57           HA       PRO  57  -5.247   2.499  -8.048
  470   1HB   PRO  57          1HB       PRO  57  -3.814   0.985 -10.126
  471   2HB   PRO  57          2HB       PRO  57  -4.373   2.659 -10.142
  472   1HG   PRO  57          1HG       PRO  57  -1.770   2.064  -9.959
  473   2HG   PRO  57          2HG       PRO  57  -2.468   3.443  -9.085
  474   1HD   PRO  57          1HD       PRO  57  -1.784   0.702  -8.068
  475   2HD   PRO  57          2HD       PRO  57  -1.469   2.281  -7.328
  476    H    ARG  58           H        ARG  58  -3.711  -0.729  -8.048
  477    HA   ARG  58           HA       ARG  58  -5.984  -1.963  -9.280
  478   1HB   ARG  58          1HB       ARG  58  -3.595  -2.761  -9.474
  479   2HB   ARG  58          2HB       ARG  58  -3.755  -3.380  -7.835
  480   1HG   ARG  58          1HG       ARG  58  -5.519  -4.860  -8.511
  481   2HG   ARG  58          2HG       ARG  58  -5.525  -4.168 -10.134
  482   1HD   ARG  58          1HD       ARG  58  -3.159  -4.916 -10.382
  483   2HD   ARG  58          2HD       ARG  58  -3.313  -5.744  -8.832
  484    HE   ARG  58           HE       ARG  58  -5.346  -6.824 -10.116
  485   1HH1  ARG  58          1HH1      ARG  58  -2.117  -6.143 -11.294
  486   2HH1  ARG  58          2HH1      ARG  58  -2.108  -7.455 -12.436
  487   1HH2  ARG  58          1HH2      ARG  58  -5.354  -8.530 -11.637
  488   2HH2  ARG  58          2HH2      ARG  58  -3.953  -8.822 -12.625
  489    H    MET  59           H        MET  59  -4.875  -1.525  -5.979
  490    HA   MET  59           HA       MET  59  -6.725  -3.366  -4.838
  491   1HB   MET  59          1HB       MET  59  -4.694  -1.566  -3.869
  492   2HB   MET  59          2HB       MET  59  -6.153  -1.425  -2.895
  493   1HG   MET  59          1HG       MET  59  -4.563  -3.078  -2.015
  494   2HG   MET  59          2HG       MET  59  -6.129  -3.779  -2.422
  495   1HE   MET  59          1HE       MET  59  -3.695  -6.721  -3.232
  496   2HE   MET  59          2HE       MET  59  -5.136  -6.216  -2.350
  497   3HE   MET  59          3HE       MET  59  -3.558  -5.565  -1.909
  498    H    HIS  60           H        HIS  60  -7.029  -0.193  -6.087
  499    HA   HIS  60           HA       HIS  60  -9.381   0.576  -4.698
  500   1HB   HIS  60          1HB       HIS  60  -8.042   1.428  -7.217
  501   2HB   HIS  60          2HB       HIS  60  -9.748   1.823  -7.041
  502    HD1  HIS  60           HD1      HIS  60 -10.376   3.275  -4.896
  503    HD2  HIS  60           HD2      HIS  60  -6.332   3.068  -5.847
  504    HE1  HIS  60           HE1      HIS  60  -9.281   5.173  -3.647
  505    HE2  HIS  60           HE2      HIS  60  -6.885   5.172  -4.444
  506    H    ASP  61           H        ASP  61  -8.789  -1.368  -7.591
  507    HA   ASP  61           HA       ASP  61 -11.478  -1.790  -8.310
  508   1HB   ASP  61          1HB       ASP  61  -9.037  -3.547  -8.649
  509   2HB   ASP  61          2HB       ASP  61 -10.604  -3.931  -9.343
  510    H    LEU  62           H        LEU  62  -9.411  -3.269  -5.918
  511    HA   LEU  62           HA       LEU  62 -11.190  -5.405  -5.253
  512   1HB   LEU  62          1HB       LEU  62  -8.753  -5.484  -4.877
  513   2HB   LEU  62          2HB       LEU  62  -8.898  -4.196  -3.699
  514    HG   LEU  62           HG       LEU  62 -10.333  -5.732  -2.319
  515   1HD1  LEU  62          1HD1      LEU  62 -11.047  -7.267  -4.051
  516   2HD1  LEU  62          2HD1      LEU  62 -10.173  -8.138  -2.789
  517   3HD1  LEU  62          3HD1      LEU  62  -9.379  -7.773  -4.319
  518   1HD2  LEU  62          1HD2      LEU  62  -8.446  -7.007  -1.454
  519   2HD2  LEU  62          2HD2      LEU  62  -7.964  -5.353  -1.837
  520   3HD2  LEU  62          3HD2      LEU  62  -7.533  -6.672  -2.926
  521    H    LEU  63           H        LEU  63 -10.459  -2.234  -3.859
  522    HA   LEU  63           HA       LEU  63 -12.199  -2.604  -1.607
  523   1HB   LEU  63          1HB       LEU  63 -10.805  -0.143  -2.649
  524   2HB   LEU  63          2HB       LEU  63 -11.641  -0.249  -1.112
  525    HG   LEU  63           HG       LEU  63  -9.277  -1.969  -1.838
  526   1HD1  LEU  63          1HD1      LEU  63  -9.370   0.574  -0.229
  527   2HD1  LEU  63          2HD1      LEU  63  -8.623   0.375  -1.815
  528   3HD1  LEU  63          3HD1      LEU  63  -7.968  -0.480  -0.417
  529   1HD2  LEU  63          1HD2      LEU  63 -10.730  -2.899  -0.122
  530   2HD2  LEU  63          2HD2      LEU  63 -10.642  -1.389   0.784
  531   3HD2  LEU  63          3HD2      LEU  63  -9.195  -2.375   0.571
  532    H    ASP  64           H        ASP  64 -12.310  -0.516  -4.498
  533    HA   ASP  64           HA       ASP  64 -14.717   0.765  -3.749
  534   1HB   ASP  64          1HB       ASP  64 -13.193   0.597  -6.334
  535   2HB   ASP  64          2HB       ASP  64 -14.742   1.424  -6.247
  536    H    ASN  65           H        ASN  65 -14.096  -2.254  -5.308
  537    HA   ASN  65           HA       ASN  65 -16.877  -2.478  -6.168
  538   1HB   ASN  65          1HB       ASN  65 -14.481  -4.256  -6.597
  539   2HB   ASN  65          2HB       ASN  65 -16.117  -4.775  -6.994
  540   1HD2  ASN  65          1HD2      ASN  65 -13.453  -2.800  -7.887
  541   2HD2  ASN  65          2HD2      ASN  65 -14.094  -2.235  -9.395
  542    H    LYS  66           H        LYS  66 -15.506  -2.631  -3.333
  543    HA   LYS  66           HA       LYS  66 -16.187  -3.432  -1.320
  544   1HB   LYS  66          1HB       LYS  66 -18.555  -4.478  -2.883
  545   2HB   LYS  66          2HB       LYS  66 -18.472  -4.297  -1.136
  546   1HG   LYS  66          1HG       LYS  66 -18.441  -1.933  -1.296
  547   2HG   LYS  66          2HG       LYS  66 -18.191  -1.990  -3.044
  548   1HD   LYS  66          1HD       LYS  66 -20.394  -3.043  -3.307
  549   2HD   LYS  66          2HD       LYS  66 -20.642  -2.943  -1.564
  550   1HE   LYS  66          1HE       LYS  66 -20.597  -0.540  -1.646
  551   2HE   LYS  66          2HE       LYS  66 -20.164  -0.567  -3.356
  552   1HZ   LYS  66          1HZ       LYS  66 -22.279  -1.521  -3.886
  553   2HZ   LYS  66          2HZ       LYS  66 -22.537  -0.118  -2.968
  554   3HZ   LYS  66          3HZ       LYS  66 -22.696  -1.646  -2.247
  555    H    GLN  67           H        GLN  67 -14.534  -5.130  -3.083
  556    HA   GLN  67           HA       GLN  67 -15.477  -7.825  -2.744
  557   1HB   GLN  67          1HB       GLN  67 -12.806  -6.761  -3.672
  558   2HB   GLN  67          2HB       GLN  67 -13.288  -8.452  -3.722
  559   1HG   GLN  67          1HG       GLN  67 -14.597  -6.187  -5.217
  560   2HG   GLN  67          2HG       GLN  67 -13.517  -7.399  -5.901
  561   1HE2  GLN  67          1HE2      GLN  67 -16.710  -6.730  -4.737
  562   2HE2  GLN  67          2HE2      GLN  67 -17.436  -8.216  -5.259
  563    HA   PRO  68           HA       PRO  68 -13.968  -8.721   1.299
  564   1HB   PRO  68          1HB       PRO  68 -13.098 -11.325   0.171
  565   2HB   PRO  68          2HB       PRO  68 -14.175 -10.990   1.530
  566   1HG   PRO  68          1HG       PRO  68 -15.139 -11.852  -0.803
  567   2HG   PRO  68          2HG       PRO  68 -16.012 -10.649   0.166
  568   1HD   PRO  68          1HD       PRO  68 -14.364 -10.266  -2.300
  569   2HD   PRO  68          2HD       PRO  68 -15.867  -9.458  -1.808
  570    H    LEU  69           H        LEU  69 -12.100  -8.227   2.276
  571    HA   LEU  69           HA       LEU  69  -9.684  -8.042   0.729
  572   1HB   LEU  69          1HB       LEU  69 -10.261  -7.474   3.635
  573   2HB   LEU  69          2HB       LEU  69  -8.684  -7.257   2.903
  574    HG   LEU  69           HG       LEU  69 -11.210  -5.754   2.221
  575   1HD1  LEU  69          1HD1      LEU  69 -10.145  -5.047   4.289
  576   2HD1  LEU  69          2HD1      LEU  69  -9.960  -3.822   3.036
  577   3HD1  LEU  69          3HD1      LEU  69  -8.605  -4.871   3.450
  578   1HD2  LEU  69          1HD2      LEU  69  -9.921  -6.168   0.200
  579   2HD2  LEU  69          2HD2      LEU  69  -8.464  -5.561   0.988
  580   3HD2  LEU  69          3HD2      LEU  69  -9.814  -4.471   0.670
  581    HA   PRO  70           HA       PRO  70  -8.135 -12.084   1.760
  582   1HB   PRO  70          1HB       PRO  70  -5.517 -11.575   1.144
  583   2HB   PRO  70          2HB       PRO  70  -6.755 -11.935  -0.063
  584   1HG   PRO  70          1HG       PRO  70  -5.661  -9.284   0.789
  585   2HG   PRO  70          2HG       PRO  70  -6.028  -9.874  -0.844
  586   1HD   PRO  70          1HD       PRO  70  -7.689  -8.223   0.477
  587   2HD   PRO  70          2HD       PRO  70  -8.294  -9.492  -0.609
  588    H    GLY  71           H        GLY  71  -8.137 -12.455   3.903
  589   1HA   GLY  71          1HA       GLY  71  -6.904 -10.652   5.773
  590   2HA   GLY  71          2HA       GLY  71  -7.748 -12.145   6.156
  591    H    ALA  72           H        ALA  72  -4.917 -11.534   4.134
  592    HA   ALA  72           HA       ALA  72  -3.076 -12.577   6.065
  593   1HB   ALA  72          1HB       ALA  72  -2.339 -14.515   4.748
  594   2HB   ALA  72          2HB       ALA  72  -3.642 -14.224   3.597
  595   3HB   ALA  72          3HB       ALA  72  -4.020 -14.685   5.255
  596    H    PHE  73           H        PHE  73  -3.630 -10.283   4.216
  597    HA   PHE  73           HA       PHE  73  -1.366 -10.371   2.387
  598   1HB   PHE  73          1HB       PHE  73  -3.569  -9.423   1.685
  599   2HB   PHE  73          2HB       PHE  73  -3.363  -8.151   2.881
  600    HD1  PHE  73           HD1      PHE  73  -2.064  -9.542  -0.269
  601    HD2  PHE  73           HD2      PHE  73  -1.983  -6.270   2.451
  602    HE1  PHE  73           HE1      PHE  73  -0.868  -8.188  -1.939
  603    HE2  PHE  73           HE2      PHE  73  -0.789  -4.909   0.785
  604    HZ   PHE  73           HZ       PHE  73  -0.230  -5.865  -1.412
  605    H    ALA  74           H        ALA  74   0.581  -9.735   3.033
  606    HA   ALA  74           HA       ALA  74   0.838  -7.496   4.886
  607   1HB   ALA  74          1HB       ALA  74   0.863  -9.509   6.291
  608   2HB   ALA  74          2HB       ALA  74   2.420  -8.677   6.304
  609   3HB   ALA  74          3HB       ALA  74   2.210 -10.144   5.345
  610    H    VAL  75           H        VAL  75   2.154  -6.097   3.962
  611    HA   VAL  75           HA       VAL  75   4.246  -7.134   2.155
  612    HB   VAL  75           HB       VAL  75   4.277  -4.854   1.143
  613   1HG1  VAL  75          1HG1      VAL  75   2.188  -5.137  -0.116
  614   2HG1  VAL  75          2HG1      VAL  75   1.633  -6.304   1.086
  615   3HG1  VAL  75          3HG1      VAL  75   3.046  -6.664   0.091
  616   1HG2  VAL  75          1HG2      VAL  75   2.428  -3.333   1.571
  617   2HG2  VAL  75          2HG2      VAL  75   3.333  -3.632   3.055
  618   3HG2  VAL  75          3HG2      VAL  75   1.784  -4.433   2.790
  619    H    ALA  76           H        ALA  76   3.699  -5.457   5.089
  620    HA   ALA  76           HA       ALA  76   5.918  -3.766   5.200
  621   1HB   ALA  76          1HB       ALA  76   4.619  -5.202   7.503
  622   2HB   ALA  76          2HB       ALA  76   4.075  -3.679   6.803
  623   3HB   ALA  76          3HB       ALA  76   5.642  -3.769   7.607
  624    HA   PRO  77           HA       PRO  77   8.367  -7.430   7.380
  625   1HB   PRO  77          1HB       PRO  77   7.645  -9.901   6.358
  626   2HB   PRO  77          2HB       PRO  77   7.148  -9.271   7.931
  627   1HG   PRO  77          1HG       PRO  77   5.662  -9.285   5.338
  628   2HG   PRO  77          2HG       PRO  77   5.063  -9.596   6.978
  629   1HD   PRO  77          1HD       PRO  77   4.630  -7.254   5.774
  630   2HD   PRO  77          2HD       PRO  77   4.989  -7.337   7.513
  631    H    TYR  78           H        TYR  78   7.166  -7.501   4.092
  632    HA   TYR  78           HA       TYR  78   9.490  -8.725   2.961
  633   1HB   TYR  78          1HB       TYR  78   7.328  -8.837   1.814
  634   2HB   TYR  78          2HB       TYR  78   7.301  -7.084   1.657
  635    HD1  TYR  78           HD1      TYR  78   8.868 -10.185   0.475
  636    HD2  TYR  78           HD2      TYR  78   8.620  -5.968  -0.026
  637    HE1  TYR  78           HE1      TYR  78  10.064 -10.373  -1.666
  638    HE2  TYR  78           HE2      TYR  78   9.814  -6.145  -2.163
  639    HH   TYR  78           HH       TYR  78  11.514  -7.866  -3.173
  640    H    TYR  79           H        TYR  79   8.275  -5.373   3.037
  641    HA   TYR  79           HA       TYR  79  10.622  -4.386   1.740
  642   1HB   TYR  79          1HB       TYR  79   8.300  -3.005   3.073
  643   2HB   TYR  79          2HB       TYR  79   9.648  -2.122   2.362
  644    HD1  TYR  79           HD2      TYR  79  10.112  -2.381  -0.096
  645    HD2  TYR  79           HD1      TYR  79   6.563  -3.872   1.712
  646    HE1  TYR  79           HE2      TYR  79   9.048  -2.507  -2.308
  647    HE2  TYR  79           HE1      TYR  79   5.487  -4.005  -0.494
  648    HH   TYR  79           HH       TYR  79   7.256  -3.582  -3.437
  649    H    GLU  80           H        GLU  80   9.788  -5.037   5.014
  650    HA   GLU  80           HA       GLU  80  11.680  -3.394   6.322
  651   1HB   GLU  80          1HB       GLU  80   9.755  -4.998   7.206
  652   2HB   GLU  80          2HB       GLU  80  11.071  -6.155   7.308
  653   1HG   GLU  80          1HG       GLU  80  11.198  -3.455   8.607
  654   2HG   GLU  80          2HG       GLU  80  10.492  -4.857   9.402
  655    H    MET  81           H        MET  81  11.904  -6.292   4.474
  656    HA   MET  81           HA       MET  81  14.721  -6.685   5.160
  657   1HB   MET  81          1HB       MET  81  13.459  -8.705   5.214
  658   2HB   MET  81          2HB       MET  81  12.689  -8.348   3.677
  659   1HG   MET  81          1HG       MET  81  14.800  -8.672   2.526
  660   2HG   MET  81          2HG       MET  81  15.600  -8.999   4.064
  661   1HE   MET  81          1HE       MET  81  11.992 -10.123   2.970
  662   2HE   MET  81          2HE       MET  81  12.318 -11.704   2.262
  663   3HE   MET  81          3HE       MET  81  12.916 -10.244   1.472
  664    H    ALA  82           H        ALA  82  12.596  -5.982   2.427
  665    HA   ALA  82           HA       ALA  82  14.579  -6.087   0.419
  666   1HB   ALA  82          1HB       ALA  82  12.187  -6.307  -0.055
  667   2HB   ALA  82          2HB       ALA  82  12.931  -5.033  -1.023
  668   3HB   ALA  82          3HB       ALA  82  11.949  -4.614   0.382
  669    H    LEU  83           H        LEU  83  13.308  -3.405   2.358
  670    HA   LEU  83           HA       LEU  83  14.933  -1.493   0.890
  671   1HB   LEU  83          1HB       LEU  83  13.154  -1.092   3.299
  672   2HB   LEU  83          2HB       LEU  83  13.917   0.183   2.367
  673    HG   LEU  83           HG       LEU  83  11.802  -1.718   1.348
  674   1HD1  LEU  83          1HD1      LEU  83  10.382   0.266   1.285
  675   2HD1  LEU  83          2HD1      LEU  83  11.681   1.225   1.994
  676   3HD1  LEU  83          3HD1      LEU  83  10.930  -0.073   2.926
  677   1HD2  LEU  83          1HD2      LEU  83  13.155   0.619   0.007
  678   2HD2  LEU  83          2HD2      LEU  83  11.812  -0.314  -0.654
  679   3HD2  LEU  83          3HD2      LEU  83  13.380  -1.081  -0.400
  680    H    ALA  84           H        ALA  84  16.870  -0.814   1.484
  681    HA   ALA  84           HA       ALA  84  18.313  -2.184   3.479
  682   1HB   ALA  84          1HB       ALA  84  19.339  -1.235   1.457
  683   2HB   ALA  84          2HB       ALA  84  20.146  -0.699   2.930
  684   3HB   ALA  84          3HB       ALA  84  19.044   0.387   2.085
  685    H    THR  85           H        THR  85  18.902  -1.726   5.462
  686    HA   THR  85           HA       THR  85  17.331  -0.132   7.117
  687    HB   THR  85           HB       THR  85  20.079  -0.681   8.047
  688    HG1  THR  85           HG1      THR  85  20.059  -2.550   6.960
  689   1HG2  THR  85          1HG2      THR  85  17.342  -1.495   9.019
  690   2HG2  THR  85          2HG2      THR  85  18.246  -0.077   9.551
  691   3HG2  THR  85          3HG2      THR  85  18.852  -1.696   9.908
  692    H    ASP  86           H        ASP  86  20.249   0.563   5.359
  693    HA   ASP  86           HA       ASP  86  20.869   2.967   6.800
  694   1HB   ASP  86          1HB       ASP  86  21.980   1.665   4.323
  695   2HB   ASP  86          2HB       ASP  86  22.544   3.226   4.895
  696    H    HIS  87           H        HIS  87  18.338   2.433   4.972
  697    HA   HIS  87           HA       HIS  87  18.441   5.104   3.730
  698   1HB   HIS  87          1HB       HIS  87  18.104   3.069   2.203
  699   2HB   HIS  87          2HB       HIS  87  16.523   2.904   2.955
  700    HD1  HIS  87           HD1      HIS  87  18.494   5.145   0.674
  701    HD2  HIS  87           HD2      HIS  87  14.596   4.705   2.068
  702    HE1  HIS  87           HE1      HIS  87  17.084   6.664  -0.752
  703    HE2  HIS  87           HE2      HIS  87  14.774   6.532   0.236
  704    HA   PRO  88           HA       PRO  88  15.962   5.454   7.540
  705   1HB   PRO  88          1HB       PRO  88  16.232   8.329   6.860
  706   2HB   PRO  88          2HB       PRO  88  16.586   7.486   8.373
  707   1HG   PRO  88          1HG       PRO  88  18.562   8.306   6.808
  708   2HG   PRO  88          2HG       PRO  88  18.653   6.731   7.621
  709   1HD   PRO  88          1HD       PRO  88  17.970   7.354   4.771
  710   2HD   PRO  88          2HD       PRO  88  19.003   6.064   5.425
  711    H    GLN  89           H        GLN  89  15.180   6.566   4.381
  712    HA   GLN  89           HA       GLN  89  12.658   7.731   4.967
  713   1HB   GLN  89          1HB       GLN  89  13.808   6.547   2.451
  714   2HB   GLN  89          2HB       GLN  89  12.190   7.225   2.520
  715   1HG   GLN  89          1HG       GLN  89  13.151   9.385   3.191
  716   2HG   GLN  89          2HG       GLN  89  14.767   8.688   3.034
  717   1HE2  GLN  89          1HE2      GLN  89  13.395  10.891   1.570
  718   2HE2  GLN  89          2HE2      GLN  89  13.532  10.454  -0.112
  719    H    ARG  90           H        ARG  90  13.748   4.504   4.993
  720    HA   ARG  90           HA       ARG  90  11.392   3.259   4.001
  721   1HB   ARG  90          1HB       ARG  90  12.379   1.207   4.533
  722   2HB   ARG  90          2HB       ARG  90  13.740   2.249   4.152
  723   1HG   ARG  90          1HG       ARG  90  14.190   2.563   6.518
  724   2HG   ARG  90          2HG       ARG  90  12.793   1.563   6.928
  725   1HD   ARG  90          1HD       ARG  90  13.932  -0.251   5.514
  726   2HD   ARG  90          2HD       ARG  90  15.378   0.750   5.640
  727    HE   ARG  90           HE       ARG  90  14.836   0.545   8.186
  728   1HH1  ARG  90          1HH1      ARG  90  14.639  -1.927   5.715
  729   2HH1  ARG  90          2HH1      ARG  90  14.748  -3.248   6.834
  730   1HH2  ARG  90          1HH2      ARG  90  15.037  -1.200   9.668
  731   2HH2  ARG  90          2HH2      ARG  90  14.980  -2.834   9.080
  732    H    ALA  91           H        ALA  91  12.293   4.559   7.068
  733    HA   ALA  91           HA       ALA  91  10.638   3.131   8.801
  734   1HB   ALA  91          1HB       ALA  91  11.348   6.061   8.933
  735   2HB   ALA  91          2HB       ALA  91  12.331   4.734   9.555
  736   3HB   ALA  91          3HB       ALA  91  10.753   5.073  10.268
  737    H    LEU  92           H        LEU  92   9.952   6.090   6.971
  738    HA   LEU  92           HA       LEU  92   7.289   6.405   7.818
  739   1HB   LEU  92          1HB       LEU  92   8.597   7.292   5.243
  740   2HB   LEU  92          2HB       LEU  92   7.046   7.859   5.831
  741    HG   LEU  92           HG       LEU  92   9.709   8.302   7.183
  742   1HD1  LEU  92          1HD1      LEU  92   7.898  10.197   5.693
  743   2HD1  LEU  92          2HD1      LEU  92   9.472   9.613   5.151
  744   3HD1  LEU  92          3HD1      LEU  92   9.358  10.648   6.575
  745   1HD2  LEU  92          1HD2      LEU  92   6.954   9.299   7.900
  746   2HD2  LEU  92          2HD2      LEU  92   8.461   9.755   8.697
  747   3HD2  LEU  92          3HD2      LEU  92   7.882   8.090   8.787
  748    H    ILE  93           H        ILE  93   8.747   4.612   5.185
  749    HA   ILE  93           HA       ILE  93   6.344   3.903   3.863
  750    HB   ILE  93           HB       ILE  93   8.984   2.423   3.866
  751   1HG1  ILE  93          1HG1      ILE  93   7.969   4.563   1.977
  752   2HG1  ILE  93          2HG1      ILE  93   9.206   4.803   3.205
  753   1HG2  ILE  93          1HG2      ILE  93   7.141   1.082   3.005
  754   2HG2  ILE  93          2HG2      ILE  93   8.242   1.543   1.707
  755   3HG2  ILE  93          3HG2      ILE  93   6.701   2.379   1.894
  756   1HD1  ILE  93          1HD1      ILE  93   9.406   2.974   0.825
  757   2HD1  ILE  93          2HD1      ILE  93  10.648   3.201   2.057
  758   3HD1  ILE  93          3HD1      ILE  93  10.189   4.544   1.009
  759    H    LEU  94           H        LEU  94   8.424   2.145   6.160
  760    HA   LEU  94           HA       LEU  94   6.875  -0.179   6.335
  761   1HB   LEU  94          1HB       LEU  94   8.698   1.091   8.376
  762   2HB   LEU  94          2HB       LEU  94   8.022  -0.519   8.532
  763    HG   LEU  94           HG       LEU  94   9.880   0.381   6.326
  764   1HD1  LEU  94          1HD1      LEU  94  10.397  -1.390   8.713
  765   2HD1  LEU  94          2HD1      LEU  94  10.996   0.254   8.497
  766   3HD1  LEU  94          3HD1      LEU  94  11.537  -1.031   7.418
  767   1HD2  LEU  94          1HD2      LEU  94   8.371  -1.354   5.566
  768   2HD2  LEU  94          2HD2      LEU  94   8.734  -2.330   6.988
  769   3HD2  LEU  94          3HD2      LEU  94   9.988  -2.022   5.787
  770    H    ALA  95           H        ALA  95   6.670   2.869   8.092
  771    HA   ALA  95           HA       ALA  95   4.786   2.162  10.022
  772   1HB   ALA  95          1HB       ALA  95   5.948   4.311  10.034
  773   2HB   ALA  95          2HB       ALA  95   4.197   4.530  10.112
  774   3HB   ALA  95          3HB       ALA  95   5.054   4.806   8.595
  775    H    GLU  96           H        GLU  96   4.270   3.458   6.743
  776    HA   GLU  96           HA       GLU  96   1.430   3.296   6.939
  777   1HB   GLU  96          1HB       GLU  96   3.203   3.575   4.514
  778   2HB   GLU  96          2HB       GLU  96   1.455   3.732   4.498
  779   1HG   GLU  96          1HG       GLU  96   3.427   5.517   5.899
  780   2HG   GLU  96          2HG       GLU  96   2.446   5.907   4.491
  781    H    LEU  97           H        LEU  97   3.923   1.060   5.978
  782    HA   LEU  97           HA       LEU  97   2.242  -0.728   4.543
  783   1HB   LEU  97          1HB       LEU  97   4.860  -1.215   5.953
  784   2HB   LEU  97          2HB       LEU  97   4.065  -2.380   4.913
  785    HG   LEU  97           HG       LEU  97   5.154   0.306   4.076
  786   1HD1  LEU  97          1HD1      LEU  97   6.057  -2.492   3.435
  787   2HD1  LEU  97          2HD1      LEU  97   6.872  -1.357   4.512
  788   3HD1  LEU  97          3HD1      LEU  97   6.748  -1.003   2.790
  789   1HD2  LEU  97          1HD2      LEU  97   3.856  -1.833   2.393
  790   2HD2  LEU  97          2HD2      LEU  97   4.557  -0.321   1.813
  791   3HD2  LEU  97          3HD2      LEU  97   3.120  -0.292   2.835
  792    H    GLU  98           H        GLU  98   3.555  -0.903   7.872
  793    HA   GLU  98           HA       GLU  98   1.998  -3.071   8.738
  794   1HB   GLU  98          1HB       GLU  98   3.269  -0.744  10.155
  795   2HB   GLU  98          2HB       GLU  98   2.275  -1.890  11.043
  796   1HG   GLU  98          1HG       GLU  98   4.697  -2.629   9.416
  797   2HG   GLU  98          2HG       GLU  98   4.695  -2.364  11.159
  798    H    LYS  99           H        LYS  99   1.299   0.269   8.331
  799    HA   LYS  99           HA       LYS  99  -1.102   0.458   9.818
  800   1HB   LYS  99          1HB       LYS  99   0.493   2.269   8.959
  801   2HB   LYS  99          2HB       LYS  99  -0.308   2.086   7.412
  802   1HG   LYS  99          1HG       LYS  99  -2.190   3.148   8.105
  803   2HG   LYS  99          2HG       LYS  99  -1.992   2.641   9.790
  804   1HD   LYS  99          1HD       LYS  99  -0.405   4.273  10.232
  805   2HD   LYS  99          2HD       LYS  99   0.001   4.479   8.530
  806   1HE   LYS  99          1HE       LYS  99  -2.672   5.246   9.657
  807   2HE   LYS  99          2HE       LYS  99  -1.293   6.346   9.645
  808   1HZ   LYS  99          1HZ       LYS  99  -1.175   6.053   7.223
  809   2HZ   LYS  99          2HZ       LYS  99  -2.651   6.732   7.719
  810   3HZ   LYS  99          3HZ       LYS  99  -2.575   5.095   7.273
  811    H    LEU 100           H        LEU 100  -0.291  -0.621   6.610
  812    HA   LEU 100           HA       LEU 100  -3.063  -0.702   5.726
  813   1HB   LEU 100          1HB       LEU 100  -1.302   0.009   4.171
  814   2HB   LEU 100          2HB       LEU 100  -0.512  -1.545   4.347
  815    HG   LEU 100           HG       LEU 100  -2.531  -2.623   3.352
  816   1HD1  LEU 100          1HD1      LEU 100  -4.163  -0.909   3.899
  817   2HD1  LEU 100          2HD1      LEU 100  -4.130  -1.209   2.161
  818   3HD1  LEU 100          3HD1      LEU 100  -3.350   0.227   2.825
  819   1HD2  LEU 100          1HD2      LEU 100  -1.171  -0.511   1.685
  820   2HD2  LEU 100          2HD2      LEU 100  -2.046  -1.907   1.059
  821   3HD2  LEU 100          3HD2      LEU 100  -0.570  -2.139   1.996
  822    H    ASP 101           H        ASP 101  -0.401  -2.948   6.385
  823    HA   ASP 101           HA       ASP 101  -1.620  -5.351   5.731
  824   1HB   ASP 101          1HB       ASP 101   0.401  -4.718   7.882
  825   2HB   ASP 101          2HB       ASP 101  -0.096  -6.359   7.497
  826    H    ALA 102           H        ALA 102  -1.864  -3.467   8.696
  827    HA   ALA 102           HA       ALA 102  -3.282  -5.386  10.213
  828   1HB   ALA 102          1HB       ALA 102  -3.330  -2.383  10.500
  829   2HB   ALA 102          2HB       ALA 102  -2.122  -3.455  11.206
  830   3HB   ALA 102          3HB       ALA 102  -3.805  -3.564  11.721
  831    H    LEU 103           H        LEU 103  -4.258  -3.123   7.772
  832    HA   LEU 103           HA       LEU 103  -7.030  -3.073   8.516
  833   1HB   LEU 103          1HB       LEU 103  -5.643  -2.200   5.983
  834   2HB   LEU 103          2HB       LEU 103  -7.334  -1.913   6.344
  835    HG   LEU 103           HG       LEU 103  -4.989  -0.804   7.890
  836   1HD1  LEU 103          1HD1      LEU 103  -5.713   1.349   6.995
  837   2HD1  LEU 103          2HD1      LEU 103  -6.957   0.536   6.044
  838   3HD1  LEU 103          3HD1      LEU 103  -5.251   0.235   5.707
  839   1HD2  LEU 103          1HD2      LEU 103  -7.951  -0.344   8.237
  840   2HD2  LEU 103          2HD2      LEU 103  -6.667   0.504   9.097
  841   3HD2  LEU 103          3HD2      LEU 103  -6.899  -1.225   9.346
  842    H    PHE 104           H        PHE 104  -5.043  -4.885   6.237
  843    HA   PHE 104           HA       PHE 104  -7.189  -6.115   4.862
  844   1HB   PHE 104          1HB       PHE 104  -4.285  -6.783   5.189
  845   2HB   PHE 104          2HB       PHE 104  -5.368  -7.932   4.407
  846    HD1  PHE 104           HD2      PHE 104  -3.796  -4.632   4.163
  847    HD2  PHE 104           HD1      PHE 104  -6.337  -7.464   2.259
  848    HE1  PHE 104           HE2      PHE 104  -3.600  -3.385   2.052
  849    HE2  PHE 104           HE1      PHE 104  -6.143  -6.224   0.144
  850    HZ   PHE 104           HZ       PHE 104  -4.774  -4.180   0.039
  851    H    ALA 105           H        ALA 105  -5.775  -6.722   7.951
  852    HA   ALA 105           HA       ALA 105  -7.209  -9.262   8.200
  853   1HB   ALA 105          1HB       ALA 105  -6.037  -9.483  10.339
  854   2HB   ALA 105          2HB       ALA 105  -5.326  -7.886  10.113
  855   3HB   ALA 105          3HB       ALA 105  -4.910  -9.201   9.013
  856    H    ASP 106           H        ASP 106  -7.931  -6.102   8.459
  857    HA   ASP 106           HA       ASP 106  -9.414  -6.232  10.966
  858   1HB   ASP 106          1HB       ASP 106  -8.067  -4.214  10.374
  859   2HB   ASP 106          2HB       ASP 106  -9.156  -3.927   9.022
  860    H    ASP 107           H        ASP 107  -9.977  -6.076   7.506
  861    HA   ASP 107           HA       ASP 107 -12.824  -5.764   7.738
  862   1HB   ASP 107          1HB       ASP 107 -11.324  -5.118   5.734
  863   2HB   ASP 107          2HB       ASP 107 -11.396  -6.821   5.299
  864    H    ALA 108           H        ALA 108 -14.231  -7.525   6.558
  865    HA   ALA 108           HA       ALA 108 -13.540 -10.032   7.941
  866   1HB   ALA 108          1HB       ALA 108 -15.390  -8.810   8.988
  867   2HB   ALA 108          2HB       ALA 108 -15.908 -10.369   8.343
  868   3HB   ALA 108          3HB       ALA 108 -16.285  -8.883   7.470
  869    H    SER 109           H        SER 109 -12.947 -11.499   6.506
  870    HA   SER 109           HA       SER 109 -14.754 -11.985   4.242
  871   1HB   SER 109          1HB       SER 109 -12.641 -13.009   3.144
  872   2HB   SER 109          2HB       SER 109 -12.796 -11.253   3.175
  873    HG   SER 109           HG       SER 109 -10.925 -11.291   4.120
  874    H    LEU 110           H        LEU 110 -15.906 -13.742   4.718
  875    HA   LEU 110           HA       LEU 110 -15.079 -15.597   6.710
  876   1HB   LEU 110          1HB       LEU 110 -17.414 -15.432   4.846
  877   2HB   LEU 110          2HB       LEU 110 -17.119 -16.912   5.736
  878    HG   LEU 110           HG       LEU 110 -17.219 -15.581   7.856
  879   1HD1  LEU 110          1HD1      LEU 110 -18.213 -13.391   6.039
  880   2HD1  LEU 110          2HD1      LEU 110 -16.701 -13.381   6.947
  881   3HD1  LEU 110          3HD1      LEU 110 -18.243 -13.371   7.802
  882   1HD2  LEU 110          1HD2      LEU 110 -19.651 -15.394   7.860
  883   2HD2  LEU 110          2HD2      LEU 110 -19.121 -16.876   7.066
  884   3HD2  LEU 110          3HD2      LEU 110 -19.667 -15.505   6.100
  885    H    GLU 111           H        GLU 111 -14.672 -17.817   6.502
  886    HA   GLU 111           HA       GLU 111 -12.797 -18.424   4.481
  887   1HB   GLU 111          1HB       GLU 111 -12.806 -20.704   5.500
  888   2HB   GLU 111          2HB       GLU 111 -12.563 -19.404   6.658
  889   1HG   GLU 111          1HG       GLU 111 -14.990 -19.543   7.209
  890   2HG   GLU 111          2HG       GLU 111 -15.084 -20.971   6.180
  891    H    HIS 112           H        HIS 112 -16.206 -19.087   4.788
  892    HA   HIS 112           HA       HIS 112 -17.759 -19.962   3.379
  893   1HB   HIS 112          1HB       HIS 112 -15.584 -19.454   1.344
  894   2HB   HIS 112          2HB       HIS 112 -17.194 -20.020   0.918
  895    HD1  HIS 112           HD1      HIS 112 -15.375 -17.031   0.921
  896    HD2  HIS 112           HD2      HIS 112 -19.184 -18.056   2.248
  897    HE1  HIS 112           HE1      HIS 112 -16.661 -14.872   1.033
  898    HE2  HIS 112           HE2      HIS 112 -18.901 -15.496   2.009
  899    H    HIS 113           H        HIS 113 -15.748 -21.665   4.734
  900    HA   HIS 113           HA       HIS 113 -15.148 -23.911   3.134
  901   1HB   HIS 113          1HB       HIS 113 -13.940 -23.552   5.174
  902   2HB   HIS 113          2HB       HIS 113 -15.420 -23.568   6.123
  903    HD1  HIS 113           HD1      HIS 113 -13.643 -26.037   3.800
  904    HD2  HIS 113           HD2      HIS 113 -15.730 -25.913   7.398
  905    HE1  HIS 113           HE1      HIS 113 -13.624 -28.396   4.681
  906    HE2  HIS 113           HE2      HIS 113 -15.000 -28.315   6.792
  907    H    HIS 114           H        HIS 114 -17.963 -23.018   5.029
  908    HA   HIS 114           HA       HIS 114 -19.244 -25.571   4.436
  909   1HB   HIS 114          1HB       HIS 114 -19.400 -24.001   6.639
  910   2HB   HIS 114          2HB       HIS 114 -20.791 -23.406   5.742
  911    HD1  HIS 114           HD1      HIS 114 -22.838 -24.532   6.526
  912    HD2  HIS 114           HD2      HIS 114 -19.558 -27.089   6.544
  913    HE1  HIS 114           HE1      HIS 114 -23.711 -26.755   7.324
  914    HE2  HIS 114           HE2      HIS 114 -21.658 -28.193   7.576
  915    H    HIS 115           H        HIS 115 -20.680 -25.829   2.806
  916    HA   HIS 115           HA       HIS 115 -21.046 -23.459   1.099
  917   1HB   HIS 115          1HB       HIS 115 -20.900 -26.391   0.415
  918   2HB   HIS 115          2HB       HIS 115 -21.417 -25.166  -0.735
  919    HD1  HIS 115           HD1      HIS 115 -19.616 -23.651  -1.742
  920    HD2  HIS 115           HD2      HIS 115 -18.152 -26.403   1.003
  921    HE1  HIS 115           HE1      HIS 115 -17.119 -23.621  -2.027
  922    HE2  HIS 115           HE2      HIS 115 -16.287 -25.471  -0.530
  923    H    HIS 116           H        HIS 116 -22.961 -22.864   0.331
  924    HA   HIS 116           HA       HIS 116 -25.228 -24.668   0.351
  925   1HB   HIS 116          1HB       HIS 116 -25.156 -22.106   1.927
  926   2HB   HIS 116          2HB       HIS 116 -26.667 -22.661   1.211
  927    HD1  HIS 116           HD1      HIS 116 -25.116 -22.693   4.317
  928    HD2  HIS 116           HD2      HIS 116 -26.940 -25.646   2.026
  929    HE1  HIS 116           HE1      HIS 116 -25.699 -24.538   5.923
  930    HE2  HIS 116           HE2      HIS 116 -27.035 -26.173   4.557
  931    H    HIS 117           H        HIS 117 -26.037 -24.574  -1.606
  932    HA   HIS 117           HA       HIS 117 -26.597 -23.903  -3.695
  933   1HB   HIS 117          1HB       HIS 117 -27.852 -22.124  -2.450
  934   2HB   HIS 117          2HB       HIS 117 -26.448 -21.077  -2.621
  935    HD1  HIS 117           HD1      HIS 117 -29.239 -22.630  -4.612
  936    HD2  HIS 117           HD2      HIS 117 -26.148 -19.886  -5.121
  937    HE1  HIS 117           HE1      HIS 117 -29.697 -21.488  -6.804
  938    HE2  HIS 117           HE2      HIS 117 -27.864 -19.779  -7.061
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1 -17.571   4.289   8.777
    2   2H    MET   1          2H        MET   1 -17.120   5.833   8.246
    3   3H    MET   1          3H        MET   1 -15.959   4.794   8.918
    4    HA   MET   1           HA       MET   1 -17.416   4.376   6.376
    5   1HB   MET   1          1HB       MET   1 -14.489   4.956   6.918
    6   2HB   MET   1          2HB       MET   1 -15.205   4.672   5.337
    7   1HG   MET   1          1HG       MET   1 -16.530   6.690   5.541
    8   2HG   MET   1          2HG       MET   1 -15.900   6.961   7.165
    9   1HE   MET   1          1HE       MET   1 -14.020   5.739   3.905
   10   2HE   MET   1          2HE       MET   1 -13.402   7.273   3.294
   11   3HE   MET   1          3HE       MET   1 -15.140   6.973   3.330
   12    H    THR   2           H        THR   2 -17.126   2.385   5.413
   13    HA   THR   2           HA       THR   2 -16.598   0.256   7.231
   14    HB   THR   2           HB       THR   2 -16.848  -1.013   4.845
   15    HG1  THR   2           HG1      THR   2 -17.048   1.025   3.731
   16   1HG2  THR   2          1HG2      THR   2 -19.235  -1.207   5.392
   17   2HG2  THR   2          2HG2      THR   2 -19.081   0.135   6.526
   18   3HG2  THR   2          3HG2      THR   2 -18.226  -1.378   6.828
   19    H    THR   3           H        THR   3 -15.358  -1.730   6.119
   20    HA   THR   3           HA       THR   3 -12.730  -1.281   6.745
   21    HB   THR   3           HB       THR   3 -13.660  -3.444   4.867
   22    HG1  THR   3           HG1      THR   3 -13.609  -3.693   7.692
   23   1HG2  THR   3          1HG2      THR   3 -11.248  -3.341   5.169
   24   2HG2  THR   3          2HG2      THR   3 -11.901  -4.757   5.990
   25   3HG2  THR   3          3HG2      THR   3 -11.447  -3.329   6.921
   26    H    HIS   4           H        HIS   4 -14.018  -1.650   3.424
   27    HA   HIS   4           HA       HIS   4 -11.508  -1.415   2.155
   28   1HB   HIS   4          1HB       HIS   4 -14.240  -0.779   1.017
   29   2HB   HIS   4          2HB       HIS   4 -12.776  -1.049   0.081
   30    HD1  HIS   4           HD1      HIS   4 -15.518  -2.802   1.841
   31    HD2  HIS   4           HD2      HIS   4 -11.923  -3.769  -0.017
   32    HE1  HIS   4           HE1      HIS   4 -15.593  -5.291   1.469
   33    HE2  HIS   4           HE2      HIS   4 -13.463  -5.837   0.238
   34    H    ASP   5           H        ASP   5 -13.883   0.926   3.149
   35    HA   ASP   5           HA       ASP   5 -12.864   3.137   1.683
   36   1HB   ASP   5          1HB       ASP   5 -14.511   3.194   4.223
   37   2HB   ASP   5          2HB       ASP   5 -14.386   4.461   3.006
   38    H    ARG   6           H        ARG   6 -12.270   1.818   4.893
   39    HA   ARG   6           HA       ARG   6 -10.614   3.949   5.782
   40   1HB   ARG   6          1HB       ARG   6 -10.970   1.094   6.649
   41   2HB   ARG   6          2HB       ARG   6  -9.714   2.101   7.357
   42   1HG   ARG   6          1HG       ARG   6 -11.374   3.675   8.143
   43   2HG   ARG   6          2HG       ARG   6 -12.656   2.755   7.354
   44   1HD   ARG   6          1HD       ARG   6 -11.069   1.064   9.072
   45   2HD   ARG   6          2HD       ARG   6 -11.710   2.445   9.962
   46    HE   ARG   6           HE       ARG   6 -13.939   1.751   9.034
   47   1HH1  ARG   6          1HH1      ARG   6 -11.357  -0.567   9.560
   48   2HH1  ARG   6          2HH1      ARG   6 -12.437  -1.929   9.671
   49   1HH2  ARG   6          1HH2      ARG   6 -15.346  -0.020   9.257
   50   2HH2  ARG   6          2HH2      ARG   6 -14.702  -1.606   9.555
   51    H    VAL   7           H        VAL   7  -9.999   0.925   4.057
   52    HA   VAL   7           HA       VAL   7  -7.172   1.181   3.991
   53    HB   VAL   7           HB       VAL   7  -8.843  -0.175   1.872
   54   1HG1  VAL   7          1HG1      VAL   7  -6.887  -1.646   1.667
   55   2HG1  VAL   7          2HG1      VAL   7  -6.050  -0.688   2.888
   56   3HG1  VAL   7          3HG1      VAL   7  -6.483   0.039   1.340
   57   1HG2  VAL   7          1HG2      VAL   7  -7.941  -1.301   4.518
   58   2HG2  VAL   7          2HG2      VAL   7  -8.686  -2.221   3.211
   59   3HG2  VAL   7          3HG2      VAL   7  -9.605  -0.964   4.039
   60    H    ARG   8           H        ARG   8  -9.783   2.277   1.903
   61    HA   ARG   8           HA       ARG   8  -8.407   3.407  -0.207
   62   1HB   ARG   8          1HB       ARG   8 -10.722   3.450  -0.424
   63   2HB   ARG   8          2HB       ARG   8 -10.967   4.073   1.200
   64   1HG   ARG   8          1HG       ARG   8 -11.564   5.780  -0.346
   65   2HG   ARG   8          2HG       ARG   8 -10.058   6.260   0.433
   66   1HD   ARG   8          1HD       ARG   8  -9.460   6.706  -1.699
   67   2HD   ARG   8          2HD       ARG   8  -9.052   4.992  -1.687
   68    HE   ARG   8           HE       ARG   8 -11.288   4.616  -2.712
   69   1HH1  ARG   8          1HH1      ARG   8  -9.764   7.766  -2.942
   70   2HH1  ARG   8          2HH1      ARG   8 -10.593   8.204  -4.407
   71   1HH2  ARG   8          1HH2      ARG   8 -12.355   5.171  -4.665
   72   2HH2  ARG   8          2HH2      ARG   8 -12.055   6.726  -5.394
   73    H    LEU   9           H        LEU   9  -9.188   4.898   2.927
   74    HA   LEU   9           HA       LEU   9  -8.010   7.394   2.410
   75   1HB   LEU   9          1HB       LEU   9  -8.320   5.985   5.064
   76   2HB   LEU   9          2HB       LEU   9  -8.011   7.697   4.846
   77    HG   LEU   9           HG       LEU   9 -10.517   6.227   4.019
   78   1HD1  LEU   9          1HD1      LEU   9 -10.012   8.251   6.193
   79   2HD1  LEU   9          2HD1      LEU   9 -10.340   6.532   6.421
   80   3HD1  LEU   9          3HD1      LEU   9 -11.584   7.586   5.748
   81   1HD2  LEU   9          1HD2      LEU   9  -9.822   9.154   3.804
   82   2HD2  LEU   9          2HD2      LEU   9 -11.391   8.433   3.445
   83   3HD2  LEU   9          3HD2      LEU   9  -9.987   8.025   2.459
   84    H    GLN  10           H        GLN  10  -6.689   4.409   3.745
   85    HA   GLN  10           HA       GLN  10  -4.188   5.527   4.479
   86   1HB   GLN  10          1HB       GLN  10  -5.106   2.690   4.072
   87   2HB   GLN  10          2HB       GLN  10  -3.462   3.092   4.556
   88   1HG   GLN  10          1HG       GLN  10  -5.973   3.800   6.057
   89   2HG   GLN  10          2HG       GLN  10  -4.831   2.524   6.479
   90   1HE2  GLN  10          1HE2      GLN  10  -2.801   3.090   7.284
   91   2HE2  GLN  10          2HE2      GLN  10  -2.466   4.664   7.908
   92    H    LEU  11           H        LEU  11  -5.313   3.860   1.555
   93    HA   LEU  11           HA       LEU  11  -2.799   3.712   0.300
   94   1HB   LEU  11          1HB       LEU  11  -5.589   3.838  -0.796
   95   2HB   LEU  11          2HB       LEU  11  -4.195   3.812  -1.859
   96    HG   LEU  11           HG       LEU  11  -5.032   1.660   0.083
   97   1HD1  LEU  11          1HD1      LEU  11  -4.789   1.692  -2.920
   98   2HD1  LEU  11          2HD1      LEU  11  -6.297   1.764  -2.008
   99   3HD1  LEU  11          3HD1      LEU  11  -5.285   0.323  -1.926
  100   1HD2  LEU  11          1HD2      LEU  11  -2.586   1.788  -1.682
  101   2HD2  LEU  11          2HD2      LEU  11  -3.104   0.396  -0.730
  102   3HD2  LEU  11          3HD2      LEU  11  -2.597   1.878   0.080
  103    H    GLN  12           H        GLN  12  -5.193   6.300   0.437
  104    HA   GLN  12           HA       GLN  12  -3.817   8.004  -1.383
  105   1HB   GLN  12          1HB       GLN  12  -5.854   8.646   0.759
  106   2HB   GLN  12          2HB       GLN  12  -5.271   9.796  -0.437
  107   1HG   GLN  12          1HG       GLN  12  -6.133   8.303  -2.219
  108   2HG   GLN  12          2HG       GLN  12  -6.815   7.268  -0.966
  109   1HE2  GLN  12          1HE2      GLN  12  -6.718  10.756  -0.758
  110   2HE2  GLN  12          2HE2      GLN  12  -8.424  10.999  -0.904
  111    H    ALA  13           H        ALA  13  -3.698   7.485   2.087
  112    HA   ALA  13           HA       ALA  13  -1.991   9.681   2.678
  113   1HB   ALA  13          1HB       ALA  13  -1.631   8.574   4.820
  114   2HB   ALA  13          2HB       ALA  13  -2.373   7.101   4.197
  115   3HB   ALA  13          3HB       ALA  13  -3.342   8.562   4.391
  116    H    LEU  14           H        LEU  14  -1.420   6.256   1.970
  117    HA   LEU  14           HA       LEU  14   1.388   6.310   2.254
  118   1HB   LEU  14          1HB       LEU  14   0.080   4.238   2.230
  119   2HB   LEU  14          2HB       LEU  14  -0.353   4.519   0.555
  120    HG   LEU  14           HG       LEU  14   2.011   4.270  -0.094
  121   1HD1  LEU  14          1HD1      LEU  14   3.040   5.015   1.994
  122   2HD1  LEU  14          2HD1      LEU  14   3.638   3.428   1.514
  123   3HD1  LEU  14          3HD1      LEU  14   2.447   3.566   2.807
  124   1HD2  LEU  14          1HD2      LEU  14   2.146   1.868   0.243
  125   2HD2  LEU  14          2HD2      LEU  14   0.488   2.347  -0.119
  126   3HD2  LEU  14          3HD2      LEU  14   0.952   1.965   1.538
  127    H    GLU  15           H        GLU  15  -0.746   6.829  -0.518
  128    HA   GLU  15           HA       GLU  15   1.214   7.178  -2.490
  129   1HB   GLU  15          1HB       GLU  15  -1.271   6.977  -2.848
  130   2HB   GLU  15          2HB       GLU  15  -1.429   8.636  -2.296
  131   1HG   GLU  15          1HG       GLU  15   0.034   9.351  -4.156
  132   2HG   GLU  15          2HG       GLU  15   0.052   7.685  -4.736
  133    H    ALA  16           H        ALA  16  -0.246   9.454  -0.215
  134    HA   ALA  16           HA       ALA  16   1.107  11.758  -1.139
  135   1HB   ALA  16          1HB       ALA  16  -0.909  11.878   0.236
  136   2HB   ALA  16          2HB       ALA  16   0.420  12.784   0.959
  137   3HB   ALA  16          3HB       ALA  16  -0.020  11.201   1.601
  138    H    LEU  17           H        LEU  17   1.922   9.288   1.243
  139    HA   LEU  17           HA       LEU  17   4.096  10.520   2.481
  140   1HB   LEU  17          1HB       LEU  17   2.983   8.368   3.144
  141   2HB   LEU  17          2HB       LEU  17   3.823   7.580   1.827
  142    HG   LEU  17           HG       LEU  17   5.391   9.003   3.951
  143   1HD1  LEU  17          1HD1      LEU  17   4.305   6.193   4.121
  144   2HD1  LEU  17          2HD1      LEU  17   3.849   7.548   5.154
  145   3HD1  LEU  17          3HD1      LEU  17   5.491   6.907   5.214
  146   1HD2  LEU  17          1HD2      LEU  17   6.553   8.200   1.944
  147   2HD2  LEU  17          2HD2      LEU  17   5.953   6.570   2.257
  148   3HD2  LEU  17          3HD2      LEU  17   7.069   7.332   3.390
  149    H    LEU  18           H        LEU  18   3.911   8.669  -0.509
  150    HA   LEU  18           HA       LEU  18   6.731   8.824  -1.028
  151   1HB   LEU  18          1HB       LEU  18   4.439   8.044  -2.833
  152   2HB   LEU  18          2HB       LEU  18   6.142   7.800  -3.186
  153    HG   LEU  18           HG       LEU  18   4.688   6.538  -0.859
  154   1HD1  LEU  18          1HD1      LEU  18   4.798   4.467  -2.138
  155   2HD1  LEU  18          2HD1      LEU  18   5.491   5.339  -3.505
  156   3HD1  LEU  18          3HD1      LEU  18   3.842   5.686  -2.981
  157   1HD2  LEU  18          1HD2      LEU  18   6.683   5.139  -0.692
  158   2HD2  LEU  18          2HD2      LEU  18   7.079   6.845  -0.481
  159   3HD2  LEU  18          3HD2      LEU  18   7.431   6.040  -2.011
  160    H    ARG  19           H        ARG  19   3.961  10.750  -1.687
  161    HA   ARG  19           HA       ARG  19   5.048  12.263  -3.865
  162   1HB   ARG  19          1HB       ARG  19   2.630  12.044  -3.540
  163   2HB   ARG  19          2HB       ARG  19   2.752  12.836  -1.977
  164   1HG   ARG  19          1HG       ARG  19   3.673  14.842  -3.257
  165   2HG   ARG  19          2HG       ARG  19   3.082  14.028  -4.708
  166   1HD   ARG  19          1HD       ARG  19   0.834  13.904  -3.626
  167   2HD   ARG  19          2HD       ARG  19   1.466  14.889  -2.310
  168    HE   ARG  19           HE       ARG  19   1.048  15.768  -5.093
  169   1HH1  ARG  19          1HH1      ARG  19   1.844  16.546  -1.755
  170   2HH1  ARG  19          2HH1      ARG  19   1.443  18.233  -1.934
  171   1HH2  ARG  19          1HH2      ARG  19   0.504  17.981  -5.305
  172   2HH2  ARG  19          2HH2      ARG  19   0.672  19.046  -3.934
  173    H    GLU  20           H        GLU  20   4.506  12.908  -0.407
  174    HA   GLU  20           HA       GLU  20   5.607  15.511  -0.452
  175   1HB   GLU  20          1HB       GLU  20   5.335  13.653   1.914
  176   2HB   GLU  20          2HB       GLU  20   5.519  15.400   1.973
  177   1HG   GLU  20          1HG       GLU  20   3.165  13.849   0.925
  178   2HG   GLU  20          2HG       GLU  20   3.229  14.860   2.368
  179    H    HIS  21           H        HIS  21   6.996  12.340   0.222
  180    HA   HIS  21           HA       HIS  21   9.557  13.517   0.893
  181   1HB   HIS  21          1HB       HIS  21   8.559  10.682   0.737
  182   2HB   HIS  21          2HB       HIS  21  10.273  11.037   0.911
  183    HD1  HIS  21           HD1      HIS  21  10.997  12.257   3.140
  184    HD2  HIS  21           HD2      HIS  21   7.077  10.883   3.056
  185    HE1  HIS  21           HE1      HIS  21  10.221  12.294   5.530
  186    HE2  HIS  21           HE2      HIS  21   7.781  11.656   5.426
  187    H    GLN  22           H        GLN  22   7.967  13.089  -1.893
  188    HA   GLN  22           HA       GLN  22   8.510  13.014  -4.094
  189   1HB   GLN  22          1HB       GLN  22  11.072  14.231  -3.053
  190   2HB   GLN  22          2HB       GLN  22  10.529  14.271  -4.726
  191   1HG   GLN  22          1HG       GLN  22   8.528  15.519  -4.011
  192   2HG   GLN  22          2HG       GLN  22   9.169  15.549  -2.370
  193   1HE2  GLN  22          1HE2      GLN  22   8.529  17.738  -4.159
  194   2HE2  GLN  22          2HE2      GLN  22   9.987  18.652  -4.352
  195    H    HIS  23           H        HIS  23   8.700  10.542  -3.296
  196    HA   HIS  23           HA       HIS  23  11.165   9.585  -4.580
  197   1HB   HIS  23          1HB       HIS  23   9.936   8.599  -2.019
  198   2HB   HIS  23          2HB       HIS  23  10.953   7.548  -3.005
  199    HD1  HIS  23           HD1      HIS  23  13.256   9.307  -3.767
  200    HD2  HIS  23           HD2      HIS  23  11.507   9.444   0.007
  201    HE1  HIS  23           HE1      HIS  23  15.016  10.245  -2.236
  202    HE2  HIS  23           HE2      HIS  23  13.881  10.487   0.000
  203    H    TRP  24           H        TRP  24   8.415  10.054  -5.523
  204    HA   TRP  24           HA       TRP  24   7.480   7.379  -6.166
  205   1HB   TRP  24          1HB       TRP  24   5.902   9.301  -5.752
  206   2HB   TRP  24          2HB       TRP  24   6.494  10.031  -7.240
  207    HD1  TRP  24           HD1      TRP  24   5.947   8.618  -9.559
  208    HE1  TRP  24           HE1      TRP  24   3.916   7.141 -10.134
  209    HE3  TRP  24           HE3      TRP  24   4.205   7.763  -4.825
  210    HZ2  TRP  24           HZ2      TRP  24   1.852   5.800  -8.758
  211    HZ3  TRP  24           HZ3      TRP  24   2.193   6.373  -4.545
  212    HH2  TRP  24           HH2      TRP  24   1.043   5.413  -6.472
  213    H    ARG  25           H        ARG  25   8.484   6.271  -7.725
  214    HA   ARG  25           HA       ARG  25  10.010   7.740  -9.740
  215   1HB   ARG  25          1HB       ARG  25   9.907   4.766  -9.199
  216   2HB   ARG  25          2HB       ARG  25  10.982   5.571 -10.330
  217   1HG   ARG  25          1HG       ARG  25  11.896   6.840  -8.338
  218   2HG   ARG  25          2HG       ARG  25  11.011   5.688  -7.334
  219   1HD   ARG  25          1HD       ARG  25  13.197   4.811  -7.528
  220   2HD   ARG  25          2HD       ARG  25  12.201   3.859  -8.628
  221    HE   ARG  25           HE       ARG  25  13.561   6.132  -9.817
  222   1HH1  ARG  25          1HH1      ARG  25  13.564   2.665  -9.258
  223   2HH1  ARG  25          2HH1      ARG  25  14.825   2.362 -10.425
  224   1HH2  ARG  25          1HH2      ARG  25  15.182   5.726 -11.338
  225   2HH2  ARG  25          2HH2      ARG  25  15.741   4.102 -11.608
  226    H    ASN  26           H        ASN  26   9.731   7.449 -11.938
  227    HA   ASN  26           HA       ASN  26   7.634   5.674 -12.865
  228   1HB   ASN  26          1HB       ASN  26   6.426   7.784 -12.570
  229   2HB   ASN  26          2HB       ASN  26   7.629   8.622 -13.552
  230   1HD2  ASN  26          1HD2      ASN  26   6.178   9.241 -15.133
  231   2HD2  ASN  26          2HD2      ASN  26   5.464   8.111 -16.243
  232    H    ASP  27           H        ASP  27   8.800   4.448 -14.136
  233    HA   ASP  27           HA       ASP  27  10.955   5.537 -15.750
  234   1HB   ASP  27          1HB       ASP  27  11.256   3.410 -14.525
  235   2HB   ASP  27          2HB       ASP  27   9.935   2.698 -15.442
  236    H    GLU  28           H        GLU  28   7.713   5.376 -16.090
  237    HA   GLU  28           HA       GLU  28   6.173   5.060 -17.717
  238   1HB   GLU  28          1HB       GLU  28   8.562   5.805 -19.395
  239   2HB   GLU  28          2HB       GLU  28   7.005   5.429 -20.123
  240   1HG   GLU  28          1HG       GLU  28   7.491   7.592 -18.087
  241   2HG   GLU  28          2HG       GLU  28   7.364   7.838 -19.829
  242    HA   PRO  29           HA       PRO  29   7.865   0.770 -17.645
  243   1HB   PRO  29          1HB       PRO  29   5.011   0.211 -17.061
  244   2HB   PRO  29          2HB       PRO  29   6.467  -0.363 -16.238
  245   1HG   PRO  29          1HG       PRO  29   4.933   1.506 -15.131
  246   2HG   PRO  29          2HG       PRO  29   6.702   1.598 -15.014
  247   1HD   PRO  29          1HD       PRO  29   4.839   3.107 -16.806
  248   2HD   PRO  29          2HD       PRO  29   6.279   3.681 -15.938
  249    H    GLN  30           H        GLN  30   8.112  -0.408 -19.356
  250    HA   GLN  30           HA       GLN  30   6.244  -0.377 -21.564
  251   1HB   GLN  30          1HB       GLN  30   8.833  -1.864 -21.070
  252   2HB   GLN  30          2HB       GLN  30   7.895  -2.008 -22.550
  253   1HG   GLN  30          1HG       GLN  30   8.952   0.613 -21.533
  254   2HG   GLN  30          2HG       GLN  30   9.858  -0.438 -22.621
  255   1HE2  GLN  30          1HE2      GLN  30   9.182  -0.681 -24.735
  256   2HE2  GLN  30          2HE2      GLN  30   8.021   0.373 -25.468
  257    HA   PRO  31           HA       PRO  31   3.754  -3.882 -20.469
  258   1HB   PRO  31          1HB       PRO  31   3.875  -5.249 -22.912
  259   2HB   PRO  31          2HB       PRO  31   2.682  -4.030 -22.459
  260   1HG   PRO  31          1HG       PRO  31   5.150  -3.752 -24.100
  261   2HG   PRO  31          2HG       PRO  31   3.591  -2.924 -24.261
  262   1HD   PRO  31          1HD       PRO  31   5.739  -1.688 -23.231
  263   2HD   PRO  31          2HD       PRO  31   4.104  -1.377 -22.613
  264    H    HIS  32           H        HIS  32   6.852  -4.351 -22.030
  265    HA   HIS  32           HA       HIS  32   7.370  -7.022 -21.637
  266   1HB   HIS  32          1HB       HIS  32   8.938  -5.629 -22.801
  267   2HB   HIS  32          2HB       HIS  32   9.181  -4.613 -21.386
  268    HD1  HIS  32           HD1      HIS  32  10.294  -7.788 -22.974
  269    HD2  HIS  32           HD2      HIS  32  10.912  -5.690 -19.438
  270    HE1  HIS  32           HE1      HIS  32  12.301  -8.855 -21.888
  271    HE2  HIS  32           HE2      HIS  32  12.747  -7.463 -19.831
  272    H    GLN  33           H        GLN  33   7.444  -4.421 -19.245
  273    HA   GLN  33           HA       GLN  33   8.725  -6.030 -17.252
  274   1HB   GLN  33          1HB       GLN  33   7.447  -3.312 -17.192
  275   2HB   GLN  33          2HB       GLN  33   8.076  -4.080 -15.741
  276   1HG   GLN  33          1HG       GLN  33  10.282  -4.248 -16.828
  277   2HG   GLN  33          2HG       GLN  33   9.632  -3.377 -18.216
  278   1HE2  GLN  33          1HE2      GLN  33  11.787  -2.729 -16.311
  279   2HE2  GLN  33          2HE2      GLN  33  11.385  -1.176 -15.666
  280    H    PHE  34           H        PHE  34   5.493  -5.715 -18.291
  281    HA   PHE  34           HA       PHE  34   4.466  -6.716 -15.725
  282   1HB   PHE  34          1HB       PHE  34   2.937  -5.761 -18.157
  283   2HB   PHE  34          2HB       PHE  34   2.235  -6.221 -16.609
  284    HD1  PHE  34           HD2      PHE  34   2.878  -4.856 -14.560
  285    HD2  PHE  34           HD1      PHE  34   3.626  -3.580 -18.550
  286    HE1  PHE  34           HE2      PHE  34   3.099  -2.535 -13.774
  287    HE2  PHE  34           HE1      PHE  34   3.844  -1.259 -17.771
  288    HZ   PHE  34           HZ       PHE  34   3.577  -0.735 -15.381
  289    H    ASN  35           H        ASN  35   4.784  -7.505 -19.119
  290    HA   ASN  35           HA       ASN  35   3.164  -9.849 -19.012
  291   1HB   ASN  35          1HB       ASN  35   5.111  -8.805 -21.065
  292   2HB   ASN  35          2HB       ASN  35   4.224 -10.314 -21.276
  293   1HD2  ASN  35          1HD2      ASN  35   4.108  -7.801 -22.797
  294   2HD2  ASN  35          2HD2      ASN  35   2.443  -7.309 -22.746
  295    H    SER  36           H        SER  36   6.308  -9.202 -17.967
  296    HA   SER  36           HA       SER  36   7.417 -11.792 -18.153
  297   1HB   SER  36          1HB       SER  36   8.770 -11.041 -16.148
  298   2HB   SER  36          2HB       SER  36   8.840  -9.948 -17.530
  299    HG   SER  36           HG       SER  36   8.478  -8.778 -15.626
  300    H    THR  37           H        THR  37   5.368 -10.183 -15.801
  301    HA   THR  37           HA       THR  37   3.904 -10.913 -14.249
  302    HB   THR  37           HB       THR  37   3.978 -13.545 -15.730
  303    HG1  THR  37           HG1      THR  37   3.189 -11.082 -16.528
  304   1HG2  THR  37          1HG2      THR  37   1.829 -12.239 -14.046
  305   2HG2  THR  37          2HG2      THR  37   2.802 -13.633 -13.577
  306   3HG2  THR  37          3HG2      THR  37   1.667 -13.763 -14.919
  307    H    GLN  38           H        GLN  38   5.233 -10.796 -12.481
  308    HA   GLN  38           HA       GLN  38   6.015 -13.317 -11.280
  309   1HB   GLN  38          1HB       GLN  38   7.961 -12.489 -12.685
  310   2HB   GLN  38          2HB       GLN  38   8.028 -11.085 -11.633
  311   1HG   GLN  38          1HG       GLN  38   8.463 -12.568  -9.723
  312   2HG   GLN  38          2HG       GLN  38   8.457 -13.948 -10.821
  313   1HE2  GLN  38          1HE2      GLN  38  10.598 -12.991  -9.126
  314   2HE2  GLN  38          2HE2      GLN  38  11.927 -12.628 -10.174
  315    HA   PRO  39           HA       PRO  39   4.635 -11.131  -7.611
  316   1HB   PRO  39          1HB       PRO  39   6.949 -12.474  -6.291
  317   2HB   PRO  39          2HB       PRO  39   5.248 -12.432  -5.809
  318   1HG   PRO  39          1HG       PRO  39   6.274 -14.623  -6.903
  319   2HG   PRO  39          2HG       PRO  39   4.640 -14.081  -7.332
  320   1HD   PRO  39          1HD       PRO  39   7.187 -13.831  -8.877
  321   2HD   PRO  39          2HD       PRO  39   5.544 -14.179  -9.458
  322    H    PHE  40           H        PHE  40   5.038  -9.054  -7.377
  323    HA   PHE  40           HA       PHE  40   6.058  -7.060  -7.012
  324   1HB   PHE  40          1HB       PHE  40   8.612  -8.492  -6.294
  325   2HB   PHE  40          2HB       PHE  40   8.062  -6.912  -5.756
  326    HD1  PHE  40           HD2      PHE  40   5.784  -6.970  -4.375
  327    HD2  PHE  40           HD1      PHE  40   8.445 -10.251  -4.877
  328    HE1  PHE  40           HE2      PHE  40   4.871  -8.026  -2.344
  329    HE2  PHE  40           HE1      PHE  40   7.542 -11.307  -2.855
  330    HZ   PHE  40           HZ       PHE  40   5.756 -10.199  -1.588
  331    H    PHE  41           H        PHE  41   6.746  -9.048  -9.432
  332    HA   PHE  41           HA       PHE  41   7.953  -9.045 -11.357
  333   1HB   PHE  41          1HB       PHE  41   7.812  -6.055 -10.908
  334   2HB   PHE  41          2HB       PHE  41   8.251  -6.829 -12.426
  335    HD1  PHE  41           HD2      PHE  41   6.506  -8.471 -13.418
  336    HD2  PHE  41           HD1      PHE  41   5.606  -5.513 -10.493
  337    HE1  PHE  41           HE2      PHE  41   4.134  -8.563 -14.061
  338    HE2  PHE  41           HE1      PHE  41   3.232  -5.604 -11.128
  339    HZ   PHE  41           HZ       PHE  41   2.493  -7.127 -12.917
  340    H    MET  42           H        MET  42   9.552  -9.728  -9.362
  341    HA   MET  42           HA       MET  42  11.718  -7.961  -8.804
  342   1HB   MET  42          1HB       MET  42  11.335 -10.903  -8.246
  343   2HB   MET  42          2HB       MET  42  12.685  -9.954  -7.640
  344   1HG   MET  42          1HG       MET  42  11.120  -8.504  -6.444
  345   2HG   MET  42          2HG       MET  42   9.776  -9.479  -7.037
  346   1HE   MET  42          1HE       MET  42  10.314 -12.360  -6.789
  347   2HE   MET  42          2HE       MET  42   8.948 -11.660  -5.915
  348   3HE   MET  42          3HE       MET  42  10.045 -12.770  -5.095
  349    H    ASP  43           H        ASP  43  11.500  -8.452 -11.625
  350    HA   ASP  43           HA       ASP  43  14.244  -9.270 -12.122
  351   1HB   ASP  43          1HB       ASP  43  11.902 -10.817 -13.027
  352   2HB   ASP  43          2HB       ASP  43  13.069 -10.444 -14.290
  353    H    THR  44           H        THR  44  11.202  -8.166 -13.560
  354    HA   THR  44           HA       THR  44  12.605  -6.604 -15.550
  355    HB   THR  44           HB       THR  44  10.149  -5.843 -16.009
  356    HG1  THR  44           HG1      THR  44   8.638  -6.840 -14.892
  357   1HG2  THR  44          1HG2      THR  44  11.477  -7.323 -17.457
  358   2HG2  THR  44          2HG2      THR  44   9.787  -7.823 -17.387
  359   3HG2  THR  44          3HG2      THR  44  11.005  -8.703 -16.465
  360    H    MET  45           H        MET  45  10.641  -6.047 -12.661
  361    HA   MET  45           HA       MET  45  11.412  -3.204 -12.758
  362   1HB   MET  45          1HB       MET  45   9.021  -4.520 -11.446
  363   2HB   MET  45          2HB       MET  45   9.444  -2.823 -11.262
  364   1HG   MET  45          1HG       MET  45   9.106  -2.441 -13.616
  365   2HG   MET  45          2HG       MET  45   8.801  -4.157 -13.879
  366   1HE   MET  45          1HE       MET  45   7.614  -1.984 -10.843
  367   2HE   MET  45          2HE       MET  45   6.014  -1.465 -11.368
  368   3HE   MET  45          3HE       MET  45   7.451  -0.850 -12.185
  369    H    GLU  46           H        GLU  46  11.169  -2.353 -10.287
  370    HA   GLU  46           HA       GLU  46  12.838  -4.169  -8.686
  371   1HB   GLU  46          1HB       GLU  46  12.646  -1.162  -8.434
  372   2HB   GLU  46          2HB       GLU  46  13.752  -2.219  -7.571
  373   1HG   GLU  46          1HG       GLU  46  13.756  -1.597 -10.513
  374   2HG   GLU  46          2HG       GLU  46  14.947  -1.107  -9.311
  375    HA   PRO  47           HA       PRO  47   9.757  -4.776  -5.723
  376   1HB   PRO  47          1HB       PRO  47  11.601  -4.024  -3.534
  377   2HB   PRO  47          2HB       PRO  47  10.778  -5.557  -3.839
  378   1HG   PRO  47          1HG       PRO  47  13.397  -5.299  -4.266
  379   2HG   PRO  47          2HG       PRO  47  12.382  -6.271  -5.349
  380   1HD   PRO  47          1HD       PRO  47  13.469  -3.507  -5.736
  381   2HD   PRO  47          2HD       PRO  47  13.334  -4.841  -6.903
  382    H    LEU  48           H        LEU  48  11.404  -1.693  -5.482
  383    HA   LEU  48           HA       LEU  48   9.649  -0.654  -3.453
  384   1HB   LEU  48          1HB       LEU  48  11.571   0.822  -5.253
  385   2HB   LEU  48          2HB       LEU  48  10.816   1.458  -3.804
  386    HG   LEU  48           HG       LEU  48  12.863  -0.756  -3.943
  387   1HD1  LEU  48          1HD1      LEU  48  12.970   2.040  -2.821
  388   2HD1  LEU  48          2HD1      LEU  48  13.813   1.446  -4.252
  389   3HD1  LEU  48          3HD1      LEU  48  14.238   0.825  -2.656
  390   1HD2  LEU  48          1HD2      LEU  48  11.452   0.397  -1.537
  391   2HD2  LEU  48          2HD2      LEU  48  12.771  -0.773  -1.504
  392   3HD2  LEU  48          3HD2      LEU  48  11.213  -1.219  -2.200
  393    H    GLU  49           H        GLU  49  10.124  -0.035  -6.911
  394    HA   GLU  49           HA       GLU  49   7.804   1.651  -7.055
  395   1HB   GLU  49          1HB       GLU  49   8.284   1.382  -9.602
  396   2HB   GLU  49          2HB       GLU  49   9.371   2.327  -8.599
  397   1HG   GLU  49          1HG       GLU  49   9.933  -0.563  -9.067
  398   2HG   GLU  49          2HG       GLU  49  10.310   0.624 -10.317
  399    H    TRP  50           H        TRP  50   7.872  -1.500  -6.555
  400    HA   TRP  50           HA       TRP  50   5.803  -2.354  -8.342
  401   1HB   TRP  50          1HB       TRP  50   7.047  -4.108  -7.337
  402   2HB   TRP  50          2HB       TRP  50   6.881  -3.413  -5.727
  403    HD1  TRP  50           HD1      TRP  50   4.658  -5.131  -8.407
  404    HE1  TRP  50           HE1      TRP  50   2.761  -6.366  -7.180
  405    HE3  TRP  50           HE3      TRP  50   5.703  -3.681  -3.613
  406    HZ2  TRP  50           HZ2      TRP  50   1.824  -6.669  -4.533
  407    HZ3  TRP  50           HZ3      TRP  50   4.260  -4.493  -1.795
  408    HH2  TRP  50           HH2      TRP  50   2.364  -5.960  -2.248
  409    H    LEU  51           H        LEU  51   6.006  -0.812  -5.214
  410    HA   LEU  51           HA       LEU  51   3.247  -0.930  -4.547
  411   1HB   LEU  51          1HB       LEU  51   5.068  -0.495  -2.925
  412   2HB   LEU  51          2HB       LEU  51   5.361   1.052  -3.693
  413    HG   LEU  51           HG       LEU  51   3.040   1.736  -3.051
  414   1HD1  LEU  51          1HD1      LEU  51   2.066  -0.484  -2.813
  415   2HD1  LEU  51          2HD1      LEU  51   1.900   0.441  -1.320
  416   3HD1  LEU  51          3HD1      LEU  51   3.132  -0.814  -1.449
  417   1HD2  LEU  51          1HD2      LEU  51   4.948   2.452  -1.746
  418   2HD2  LEU  51          2HD2      LEU  51   4.925   0.941  -0.837
  419   3HD2  LEU  51          3HD2      LEU  51   3.592   2.085  -0.677
  420    H    GLN  52           H        GLN  52   5.256   1.239  -6.370
  421    HA   GLN  52           HA       GLN  52   3.132   3.197  -6.709
  422   1HB   GLN  52          1HB       GLN  52   5.901   3.196  -7.922
  423   2HB   GLN  52          2HB       GLN  52   4.818   4.570  -7.723
  424   1HG   GLN  52          1HG       GLN  52   5.053   4.445  -5.315
  425   2HG   GLN  52          2HG       GLN  52   6.061   3.011  -5.468
  426   1HE2  GLN  52          1HE2      GLN  52   6.679   5.524  -4.205
  427   2HE2  GLN  52          2HE2      GLN  52   8.086   6.141  -5.002
  428    H    TRP  53           H        TRP  53   2.253   3.711  -8.732
  429    HA   TRP  53           HA       TRP  53   1.496   3.425 -10.843
  430   1HB   TRP  53          1HB       TRP  53   3.885   3.323 -11.485
  431   2HB   TRP  53          2HB       TRP  53   3.861   1.580 -11.244
  432    HD1  TRP  53           HD1      TRP  53   2.558   0.106 -13.084
  433    HE1  TRP  53           HE1      TRP  53   1.882   0.616 -15.515
  434    HE3  TRP  53           HE3      TRP  53   3.109   5.194 -13.037
  435    HZ2  TRP  53           HZ2      TRP  53   1.618   2.869 -17.188
  436    HZ3  TRP  53           HZ3      TRP  53   2.627   6.449 -15.096
  437    HH2  TRP  53           HH2      TRP  53   1.897   5.309 -17.129
  438    H    VAL  54           H        VAL  54   2.574   0.314  -9.431
  439    HA   VAL  54           HA       VAL  54   0.291  -0.991 -10.705
  440    HB   VAL  54           HB       VAL  54   2.512  -2.225  -9.074
  441   1HG1  VAL  54          1HG1      VAL  54   0.352  -3.512 -10.752
  442   2HG1  VAL  54          2HG1      VAL  54   0.449  -3.533  -8.991
  443   3HG1  VAL  54          3HG1      VAL  54   1.677  -4.359  -9.951
  444   1HG2  VAL  54          1HG2      VAL  54   3.336  -1.280 -11.164
  445   2HG2  VAL  54          2HG2      VAL  54   2.085  -2.141 -12.061
  446   3HG2  VAL  54          3HG2      VAL  54   3.351  -3.043 -11.230
  447    H    LEU  55           H        LEU  55   1.715  -1.267  -7.426
  448    HA   LEU  55           HA       LEU  55  -0.381  -2.683  -6.341
  449   1HB   LEU  55          1HB       LEU  55   1.906  -2.221  -5.345
  450   2HB   LEU  55          2HB       LEU  55   1.247  -0.711  -4.755
  451    HG   LEU  55           HG       LEU  55   1.311  -2.484  -3.036
  452   1HD1  LEU  55          1HD1      LEU  55  -0.933  -2.260  -2.174
  453   2HD1  LEU  55          2HD1      LEU  55  -1.483  -1.660  -3.739
  454   3HD1  LEU  55          3HD1      LEU  55  -0.329  -0.721  -2.792
  455   1HD2  LEU  55          1HD2      LEU  55  -0.231  -4.360  -3.161
  456   2HD2  LEU  55          2HD2      LEU  55   0.947  -4.401  -4.474
  457   3HD2  LEU  55          3HD2      LEU  55  -0.704  -3.863  -4.785
  458    H    ILE  56           H        ILE  56   0.152   0.802  -5.679
  459    HA   ILE  56           HA       ILE  56  -2.141   1.056  -4.157
  460    HB   ILE  56           HB       ILE  56  -0.762   3.240  -5.723
  461   1HG1  ILE  56          1HG1      ILE  56  -0.488   2.359  -2.844
  462   2HG1  ILE  56          2HG1      ILE  56   0.684   2.045  -4.119
  463   1HG2  ILE  56          1HG2      ILE  56  -1.832   4.801  -4.208
  464   2HG2  ILE  56          2HG2      ILE  56  -2.660   3.473  -3.395
  465   3HG2  ILE  56          3HG2      ILE  56  -3.051   3.861  -5.070
  466   1HD1  ILE  56          1HD1      ILE  56   1.077   4.440  -4.344
  467   2HD1  ILE  56          2HD1      ILE  56   1.385   3.882  -2.699
  468   3HD1  ILE  56          3HD1      ILE  56  -0.103   4.753  -3.072
  469    HA   PRO  57           HA       PRO  57  -4.578   2.641  -8.113
  470   1HB   PRO  57          1HB       PRO  57  -3.024   1.257 -10.228
  471   2HB   PRO  57          2HB       PRO  57  -3.784   2.853 -10.250
  472   1HG   PRO  57          1HG       PRO  57  -1.145   2.614 -10.053
  473   2HG   PRO  57          2HG       PRO  57  -2.015   3.852  -9.124
  474   1HD   PRO  57          1HD       PRO  57  -0.935   1.208  -8.221
  475   2HD   PRO  57          2HD       PRO  57  -0.891   2.780  -7.404
  476    H    ARG  58           H        ARG  58  -2.904  -0.499  -8.407
  477    HA   ARG  58           HA       ARG  58  -5.098  -1.932  -9.469
  478   1HB   ARG  58          1HB       ARG  58  -2.704  -2.674  -9.506
  479   2HB   ARG  58          2HB       ARG  58  -2.840  -3.034  -7.793
  480   1HG   ARG  58          1HG       ARG  58  -4.735  -4.589  -8.396
  481   2HG   ARG  58          2HG       ARG  58  -4.254  -4.366 -10.080
  482   1HD   ARG  58          1HD       ARG  58  -3.207  -6.355  -9.268
  483   2HD   ARG  58          2HD       ARG  58  -1.964  -5.118  -9.450
  484    HE   ARG  58           HE       ARG  58  -2.793  -4.925  -6.841
  485   1HH1  ARG  58          1HH1      ARG  58  -1.375  -7.397  -8.871
  486   2HH1  ARG  58          2HH1      ARG  58  -0.643  -8.255  -7.541
  487   1HH2  ARG  58          1HH2      ARG  58  -1.832  -6.016  -5.090
  488   2HH2  ARG  58          2HH2      ARG  58  -0.918  -7.471  -5.367
  489    H    MET  59           H        MET  59  -3.984  -1.337  -6.188
  490    HA   MET  59           HA       MET  59  -5.844  -3.085  -4.929
  491   1HB   MET  59          1HB       MET  59  -3.677  -1.386  -4.142
  492   2HB   MET  59          2HB       MET  59  -5.070  -1.048  -3.121
  493   1HG   MET  59          1HG       MET  59  -3.617  -2.753  -2.161
  494   2HG   MET  59          2HG       MET  59  -5.227  -3.379  -2.508
  495   1HE   MET  59          1HE       MET  59  -4.416  -5.854  -2.281
  496   2HE   MET  59          2HE       MET  59  -2.793  -5.289  -1.882
  497   3HE   MET  59          3HE       MET  59  -3.018  -6.520  -3.124
  498    H    HIS  60           H        HIS  60  -6.140   0.037  -6.291
  499    HA   HIS  60           HA       HIS  60  -8.386   0.919  -4.790
  500   1HB   HIS  60          1HB       HIS  60  -7.132   1.695  -7.364
  501   2HB   HIS  60          2HB       HIS  60  -8.833   2.104  -7.164
  502    HD1  HIS  60           HD1      HIS  60  -9.438   3.851  -5.377
  503    HD2  HIS  60           HD2      HIS  60  -5.354   3.158  -5.773
  504    HE1  HIS  60           HE1      HIS  60  -8.302   5.721  -4.127
  505    HE2  HIS  60           HE2      HIS  60  -5.834   5.385  -4.539
  506    H    ASP  61           H        ASP  61  -7.995  -1.061  -7.683
  507    HA   ASP  61           HA       ASP  61 -10.710  -1.424  -8.304
  508   1HB   ASP  61          1HB       ASP  61  -8.230  -3.050  -8.771
  509   2HB   ASP  61          2HB       ASP  61  -9.799  -3.732  -9.166
  510    H    LEU  62           H        LEU  62  -8.624  -2.908  -5.943
  511    HA   LEU  62           HA       LEU  62 -10.393  -5.015  -5.195
  512   1HB   LEU  62          1HB       LEU  62  -7.977  -5.136  -4.847
  513   2HB   LEU  62          2HB       LEU  62  -8.044  -3.766  -3.759
  514    HG   LEU  62           HG       LEU  62  -9.535  -5.200  -2.274
  515   1HD1  LEU  62          1HD1      LEU  62 -10.152  -6.917  -3.850
  516   2HD1  LEU  62          2HD1      LEU  62  -9.232  -7.637  -2.525
  517   3HD1  LEU  62          3HD1      LEU  62  -8.459  -7.352  -4.084
  518   1HD2  LEU  62          1HD2      LEU  62  -6.683  -6.052  -2.728
  519   2HD2  LEU  62          2HD2      LEU  62  -7.629  -6.327  -1.263
  520   3HD2  LEU  62          3HD2      LEU  62  -7.215  -4.683  -1.751
  521    H    LEU  63           H        LEU  63  -9.903  -1.702  -4.151
  522    HA   LEU  63           HA       LEU  63 -11.547  -2.080  -1.774
  523   1HB   LEU  63          1HB       LEU  63 -10.116   0.364  -2.797
  524   2HB   LEU  63          2HB       LEU  63 -10.945   0.242  -1.258
  525    HG   LEU  63           HG       LEU  63  -8.506  -1.331  -2.078
  526   1HD1  LEU  63          1HD1      LEU  63  -8.864   0.917  -0.107
  527   2HD1  LEU  63          2HD1      LEU  63  -8.041   1.018  -1.666
  528   3HD1  LEU  63          3HD1      LEU  63  -7.379   0.009  -0.381
  529   1HD2  LEU  63          1HD2      LEU  63  -8.489  -2.122   0.229
  530   2HD2  LEU  63          2HD2      LEU  63  -9.966  -2.616  -0.600
  531   3HD2  LEU  63          3HD2      LEU  63 -10.002  -1.270   0.540
  532    H    ASP  64           H        ASP  64 -11.544   0.032  -4.644
  533    HA   ASP  64           HA       ASP  64 -13.915   1.392  -3.952
  534   1HB   ASP  64          1HB       ASP  64 -12.377   1.097  -6.519
  535   2HB   ASP  64          2HB       ASP  64 -13.910   1.965  -6.480
  536    H    ASN  65           H        ASN  65 -13.318  -1.437  -5.953
  537    HA   ASN  65           HA       ASN  65 -16.116  -1.730  -6.617
  538   1HB   ASN  65          1HB       ASN  65 -13.778  -3.607  -7.044
  539   2HB   ASN  65          2HB       ASN  65 -15.399  -3.848  -7.688
  540   1HD2  ASN  65          1HD2      ASN  65 -12.839  -3.537  -9.055
  541   2HD2  ASN  65          2HD2      ASN  65 -13.032  -2.188 -10.128
  542    H    LYS  66           H        LYS  66 -14.331  -2.230  -3.929
  543    HA   LYS  66           HA       LYS  66 -14.544  -3.372  -2.006
  544   1HB   LYS  66          1HB       LYS  66 -17.375  -3.095  -2.937
  545   2HB   LYS  66          2HB       LYS  66 -17.013  -3.959  -1.445
  546   1HG   LYS  66          1HG       LYS  66 -16.009  -2.030  -0.477
  547   2HG   LYS  66          2HG       LYS  66 -16.067  -1.159  -2.009
  548   1HD   LYS  66          1HD       LYS  66 -18.582  -2.161  -0.740
  549   2HD   LYS  66          2HD       LYS  66 -17.839  -0.662  -0.178
  550   1HE   LYS  66          1HE       LYS  66 -18.635  -1.252  -3.028
  551   2HE   LYS  66          2HE       LYS  66 -19.576  -0.287  -1.890
  552   1HZ   LYS  66          1HZ       LYS  66 -17.528   1.161  -1.706
  553   2HZ   LYS  66          2HZ       LYS  66 -18.373   1.239  -3.174
  554   3HZ   LYS  66          3HZ       LYS  66 -16.934   0.350  -3.074
  555    H    GLN  67           H        GLN  67 -13.279  -5.023  -3.114
  556    HA   GLN  67           HA       GLN  67 -14.731  -7.544  -3.506
  557   1HB   GLN  67          1HB       GLN  67 -11.831  -6.872  -4.068
  558   2HB   GLN  67          2HB       GLN  67 -12.660  -8.353  -4.524
  559   1HG   GLN  67          1HG       GLN  67 -13.351  -5.606  -5.541
  560   2HG   GLN  67          2HG       GLN  67 -12.362  -6.787  -6.398
  561   1HE2  GLN  67          1HE2      GLN  67 -15.571  -5.969  -5.325
  562   2HE2  GLN  67          2HE2      GLN  67 -16.404  -7.108  -6.321
  563    HA   PRO  68           HA       PRO  68 -13.420  -9.299   0.345
  564   1HB   PRO  68          1HB       PRO  68 -12.181 -11.539  -1.160
  565   2HB   PRO  68          2HB       PRO  68 -13.396 -11.581   0.122
  566   1HG   PRO  68          1HG       PRO  68 -14.066 -12.037  -2.417
  567   2HG   PRO  68          2HG       PRO  68 -15.137 -11.131  -1.332
  568   1HD   PRO  68          1HD       PRO  68 -13.344 -10.130  -3.499
  569   2HD   PRO  68          2HD       PRO  68 -14.953  -9.560  -3.012
  570    H    LEU  69           H        LEU  69 -11.755  -8.453   1.438
  571    HA   LEU  69           HA       LEU  69  -9.255  -7.909   0.200
  572   1HB   LEU  69          1HB       LEU  69 -10.071  -7.824   3.105
  573   2HB   LEU  69          2HB       LEU  69  -8.531  -7.254   2.496
  574    HG   LEU  69           HG       LEU  69 -11.259  -6.102   1.927
  575   1HD1  LEU  69          1HD1      LEU  69 -10.281  -5.450   4.054
  576   2HD1  LEU  69          2HD1      LEU  69 -10.289  -4.088   2.932
  577   3HD1  LEU  69          3HD1      LEU  69  -8.793  -4.971   3.241
  578   1HD2  LEU  69          1HD2      LEU  69  -8.605  -5.323   0.724
  579   2HD2  LEU  69          2HD2      LEU  69 -10.130  -4.462   0.515
  580   3HD2  LEU  69          3HD2      LEU  69  -9.943  -6.093  -0.130
  581    HA   PRO  70           HA       PRO  70  -7.056 -11.701   0.507
  582   1HB   PRO  70          1HB       PRO  70  -4.835  -9.920   1.401
  583   2HB   PRO  70          2HB       PRO  70  -4.846 -11.158   0.142
  584   1HG   PRO  70          1HG       PRO  70  -4.949  -8.581  -0.493
  585   2HG   PRO  70          2HG       PRO  70  -5.896  -9.780  -1.393
  586   1HD   PRO  70          1HD       PRO  70  -6.787  -7.785   0.622
  587   2HD   PRO  70          2HD       PRO  70  -7.642  -8.419  -0.795
  588    H    GLY  71           H        GLY  71  -6.666  -9.355   3.153
  589   1HA   GLY  71          1HA       GLY  71  -7.083  -9.760   5.416
  590   2HA   GLY  71          2HA       GLY  71  -7.148 -11.482   5.072
  591    H    ALA  72           H        ALA  72  -4.455 -10.168   3.648
  592    HA   ALA  72           HA       ALA  72  -2.639 -10.153   5.817
  593   1HB   ALA  72          1HB       ALA  72  -1.412 -12.202   5.285
  594   2HB   ALA  72          2HB       ALA  72  -2.627 -12.624   4.078
  595   3HB   ALA  72          3HB       ALA  72  -3.063 -12.563   5.785
  596    H    PHE  73           H        PHE  73  -2.065  -8.268   4.803
  597    HA   PHE  73           HA       PHE  73  -0.625  -8.586   2.247
  598   1HB   PHE  73          1HB       PHE  73  -2.702  -7.180   2.119
  599   2HB   PHE  73          2HB       PHE  73  -1.966  -6.068   3.267
  600    HD1  PHE  73           HD1      PHE  73  -1.067  -7.745   0.053
  601    HD2  PHE  73           HD2      PHE  73  -1.008  -4.187   2.385
  602    HE1  PHE  73           HE1      PHE  73   0.019  -6.550  -1.803
  603    HE2  PHE  73           HE2      PHE  73   0.071  -2.985   0.530
  604    HZ   PHE  73           HZ       PHE  73   0.586  -4.166  -1.564
  605    H    ALA  74           H        ALA  74   0.300  -8.950   4.993
  606    HA   ALA  74           HA       ALA  74   1.937  -6.738   5.705
  607   1HB   ALA  74          1HB       ALA  74   1.190  -8.430   7.332
  608   2HB   ALA  74          2HB       ALA  74   2.939  -8.212   7.337
  609   3HB   ALA  74          3HB       ALA  74   2.228  -9.619   6.546
  610    H    VAL  75           H        VAL  75   2.805  -6.391   3.526
  611    HA   VAL  75           HA       VAL  75   4.941  -8.184   2.701
  612    HB   VAL  75           HB       VAL  75   5.278  -6.585   0.836
  613   1HG1  VAL  75          1HG1      VAL  75   2.420  -7.474   1.211
  614   2HG1  VAL  75          2HG1      VAL  75   3.739  -8.459   0.582
  615   3HG1  VAL  75          3HG1      VAL  75   3.180  -7.055  -0.325
  616   1HG2  VAL  75          1HG2      VAL  75   2.962  -5.112   2.092
  617   2HG2  VAL  75          2HG2      VAL  75   3.631  -4.783   0.494
  618   3HG2  VAL  75          3HG2      VAL  75   4.618  -4.526   1.931
  619    H    ALA  76           H        ALA  76   4.709  -6.091   5.083
  620    HA   ALA  76           HA       ALA  76   6.840  -4.301   4.784
  621   1HB   ALA  76          1HB       ALA  76   6.720  -3.978   7.176
  622   2HB   ALA  76          2HB       ALA  76   5.747  -5.440   7.349
  623   3HB   ALA  76          3HB       ALA  76   5.101  -4.047   6.480
  624    HA   PRO  77           HA       PRO  77   9.544  -7.827   7.054
  625   1HB   PRO  77          1HB       PRO  77   8.203 -10.029   5.548
  626   2HB   PRO  77          2HB       PRO  77   8.979 -10.062   7.136
  627   1HG   PRO  77          1HG       PRO  77   6.331 -10.031   6.929
  628   2HG   PRO  77          2HG       PRO  77   7.153  -9.098   8.194
  629   1HD   PRO  77          1HD       PRO  77   5.882  -8.164   5.668
  630   2HD   PRO  77          2HD       PRO  77   5.983  -7.362   7.247
  631    H    TYR  78           H        TYR  78   8.146  -8.427   3.819
  632    HA   TYR  78           HA       TYR  78  10.625  -8.946   2.558
  633   1HB   TYR  78          1HB       TYR  78   8.552  -9.666   1.519
  634   2HB   TYR  78          2HB       TYR  78   7.989  -7.999   1.407
  635    HD1  TYR  78           HD2      TYR  78  10.463 -10.414   0.112
  636    HD2  TYR  78           HD1      TYR  78   8.655  -6.596  -0.400
  637    HE1  TYR  78           HE2      TYR  78  11.522 -10.214  -2.096
  638    HE2  TYR  78           HE1      TYR  78   9.712  -6.386  -2.609
  639    HH   TYR  78           HH       TYR  78  11.175  -8.993  -4.203
  640    H    TYR  79           H        TYR  79   8.700  -6.022   2.977
  641    HA   TYR  79           HA       TYR  79  10.270  -4.355   1.325
  642   1HB   TYR  79          1HB       TYR  79   7.950  -4.093   2.986
  643   2HB   TYR  79          2HB       TYR  79   9.052  -2.757   3.314
  644    HD1  TYR  79           HD1      TYR  79   7.884  -4.642   0.307
  645    HD2  TYR  79           HD2      TYR  79   8.642  -0.865   2.097
  646    HE1  TYR  79           HE1      TYR  79   7.161  -3.527  -1.765
  647    HE2  TYR  79           HE2      TYR  79   7.923   0.267   0.036
  648    HH   TYR  79           HH       TYR  79   6.372  -1.419  -2.533
  649    H    GLU  80           H        GLU  80  10.591  -5.359   4.632
  650    HA   GLU  80           HA       GLU  80  12.414  -3.481   5.585
  651   1HB   GLU  80          1HB       GLU  80  11.358  -5.294   6.927
  652   2HB   GLU  80          2HB       GLU  80  12.396  -6.460   6.122
  653   1HG   GLU  80          1HG       GLU  80  14.362  -5.283   7.050
  654   2HG   GLU  80          2HG       GLU  80  13.264  -4.220   7.932
  655    H    MET  81           H        MET  81  12.901  -6.376   3.635
  656    HA   MET  81           HA       MET  81  15.747  -6.052   3.432
  657   1HB   MET  81          1HB       MET  81  13.865  -7.696   1.729
  658   2HB   MET  81          2HB       MET  81  15.615  -7.836   1.755
  659   1HG   MET  81          1HG       MET  81  15.527  -8.564   4.079
  660   2HG   MET  81          2HG       MET  81  13.771  -8.413   4.061
  661   1HE   MET  81          1HE       MET  81  12.178  -9.932   2.518
  662   2HE   MET  81          2HE       MET  81  12.798 -11.147   1.400
  663   3HE   MET  81          3HE       MET  81  13.120  -9.436   1.110
  664    H    ALA  82           H        ALA  82  12.948  -5.379   1.397
  665    HA   ALA  82           HA       ALA  82  14.308  -4.647  -0.935
  666   1HB   ALA  82          1HB       ALA  82  12.215  -3.584  -1.614
  667   2HB   ALA  82          2HB       ALA  82  11.614  -3.711   0.040
  668   3HB   ALA  82          3HB       ALA  82  11.936  -5.170  -0.897
  669    H    LEU  83           H        LEU  83  13.247  -2.682   1.814
  670    HA   LEU  83           HA       LEU  83  14.185  -0.232   0.615
  671   1HB   LEU  83          1HB       LEU  83  13.122  -0.908   3.351
  672   2HB   LEU  83          2HB       LEU  83  13.635   0.705   2.898
  673    HG   LEU  83           HG       LEU  83  11.482  -0.790   1.412
  674   1HD1  LEU  83          1HD1      LEU  83   9.864   0.534   2.680
  675   2HD1  LEU  83          2HD1      LEU  83  11.172   1.184   3.670
  676   3HD1  LEU  83          3HD1      LEU  83  10.788  -0.536   3.734
  677   1HD2  LEU  83          1HD2      LEU  83  12.554   1.051   0.211
  678   2HD2  LEU  83          2HD2      LEU  83  12.200   2.135   1.558
  679   3HD2  LEU  83          3HD2      LEU  83  10.881   1.434   0.621
  680    H    ALA  84           H        ALA  84  15.608  -2.758   2.339
  681    HA   ALA  84           HA       ALA  84  17.649  -3.123   3.257
  682   1HB   ALA  84          1HB       ALA  84  19.531  -1.812   2.455
  683   2HB   ALA  84          2HB       ALA  84  18.430  -0.580   1.836
  684   3HB   ALA  84          3HB       ALA  84  18.437  -2.193   1.124
  685    H    THR  85           H        THR  85  19.555  -1.736   4.499
  686    HA   THR  85           HA       THR  85  18.116  -0.407   6.657
  687    HB   THR  85           HB       THR  85  20.329  -0.638   7.825
  688    HG1  THR  85           HG1      THR  85  21.980  -1.281   6.707
  689   1HG2  THR  85          1HG2      THR  85  18.522  -2.231   8.209
  690   2HG2  THR  85          2HG2      THR  85  20.084  -3.052   8.224
  691   3HG2  THR  85          3HG2      THR  85  19.043  -3.165   6.805
  692    H    ASP  86           H        ASP  86  19.905   0.334   3.933
  693    HA   ASP  86           HA       ASP  86  21.406   2.568   4.793
  694   1HB   ASP  86          1HB       ASP  86  20.384   1.792   2.056
  695   2HB   ASP  86          2HB       ASP  86  21.527   3.089   2.361
  696    H    HIS  87           H        HIS  87  18.097   2.130   4.345
  697    HA   HIS  87           HA       HIS  87  17.678   5.040   4.155
  698   1HB   HIS  87          1HB       HIS  87  16.933   3.584   2.172
  699   2HB   HIS  87          2HB       HIS  87  15.696   2.949   3.248
  700    HD1  HIS  87           HD1      HIS  87  16.663   5.996   1.316
  701    HD2  HIS  87           HD2      HIS  87  13.569   4.705   3.782
  702    HE1  HIS  87           HE1      HIS  87  14.801   7.656   0.996
  703    HE2  HIS  87           HE2      HIS  87  12.988   6.931   2.587
  704    HA   PRO  88           HA       PRO  88  16.419   3.585   8.390
  705   1HB   PRO  88          1HB       PRO  88  16.715   6.516   8.803
  706   2HB   PRO  88          2HB       PRO  88  17.302   5.172   9.788
  707   1HG   PRO  88          1HG       PRO  88  18.980   6.543   8.257
  708   2HG   PRO  88          2HG       PRO  88  19.125   4.780   8.403
  709   1HD   PRO  88          1HD       PRO  88  17.983   6.413   6.173
  710   2HD   PRO  88          2HD       PRO  88  18.977   4.944   6.100
  711    H    GLN  89           H        GLN  89  15.130   6.134   6.342
  712    HA   GLN  89           HA       GLN  89  12.771   6.559   7.910
  713   1HB   GLN  89          1HB       GLN  89  13.423   7.261   5.048
  714   2HB   GLN  89          2HB       GLN  89  11.924   7.712   5.844
  715   1HG   GLN  89          1HG       GLN  89  13.182   9.003   7.487
  716   2HG   GLN  89          2HG       GLN  89  14.688   8.550   6.686
  717   1HE2  GLN  89          1HE2      GLN  89  13.498  11.193   7.129
  718   2HE2  GLN  89          2HE2      GLN  89  13.347  11.904   5.555
  719    H    ARG  90           H        ARG  90  13.686   3.858   6.432
  720    HA   ARG  90           HA       ARG  90  11.524   3.076   4.826
  721   1HB   ARG  90          1HB       ARG  90  12.290   0.799   5.166
  722   2HB   ARG  90          2HB       ARG  90  13.673   1.856   4.942
  723   1HG   ARG  90          1HG       ARG  90  14.090   1.854   7.335
  724   2HG   ARG  90          2HG       ARG  90  12.667   0.842   7.592
  725   1HD   ARG  90          1HD       ARG  90  13.736  -0.871   6.109
  726   2HD   ARG  90          2HD       ARG  90  15.196   0.121   6.119
  727    HE   ARG  90           HE       ARG  90  14.505  -0.282   8.770
  728   1HH1  ARG  90          1HH1      ARG  90  15.494  -2.221   6.027
  729   2HH1  ARG  90          2HH1      ARG  90  16.149  -3.498   7.000
  730   1HH2  ARG  90          1HH2      ARG  90  15.368  -1.954  10.061
  731   2HH2  ARG  90          2HH2      ARG  90  16.092  -3.345   9.302
  732    H    ALA  91           H        ALA  91  11.923   3.214   8.279
  733    HA   ALA  91           HA       ALA  91   9.902   1.466   9.099
  734   1HB   ALA  91          1HB       ALA  91  10.857   3.980  10.468
  735   2HB   ALA  91          2HB       ALA  91  11.593   2.382  10.611
  736   3HB   ALA  91          3HB       ALA  91   9.962   2.660  11.221
  737    H    LEU  92           H        LEU  92   9.740   4.730   7.874
  738    HA   LEU  92           HA       LEU  92   7.129   5.362   8.771
  739   1HB   LEU  92          1HB       LEU  92   8.603   6.375   6.333
  740   2HB   LEU  92          2HB       LEU  92   7.172   7.104   7.036
  741    HG   LEU  92           HG       LEU  92   9.864   6.888   8.386
  742   1HD1  LEU  92          1HD1      LEU  92   9.949   9.315   8.090
  743   2HD1  LEU  92          2HD1      LEU  92   8.441   9.253   7.178
  744   3HD1  LEU  92          3HD1      LEU  92   9.888   8.472   6.542
  745   1HD2  LEU  92          1HD2      LEU  92   8.891   8.319  10.096
  746   2HD2  LEU  92          2HD2      LEU  92   7.988   6.810   9.962
  747   3HD2  LEU  92          3HD2      LEU  92   7.340   8.291   9.258
  748    H    ILE  93           H        ILE  93   8.375   3.947   5.782
  749    HA   ILE  93           HA       ILE  93   5.820   3.671   4.546
  750    HB   ILE  93           HB       ILE  93   8.390   2.193   3.928
  751   1HG1  ILE  93          1HG1      ILE  93   7.269   4.729   2.707
  752   2HG1  ILE  93          2HG1      ILE  93   8.625   4.660   3.826
  753   1HG2  ILE  93          1HG2      ILE  93   5.910   2.629   2.264
  754   2HG2  ILE  93          2HG2      ILE  93   6.445   1.103   2.966
  755   3HG2  ILE  93          3HG2      ILE  93   7.400   1.874   1.700
  756   1HD1  ILE  93          1HD1      ILE  93   9.370   4.919   1.529
  757   2HD1  ILE  93          2HD1      ILE  93   8.546   3.424   1.083
  758   3HD1  ILE  93          3HD1      ILE  93   9.908   3.379   2.202
  759    H    LEU  94           H        LEU  94   7.936   1.565   6.419
  760    HA   LEU  94           HA       LEU  94   6.480  -0.820   6.164
  761   1HB   LEU  94          1HB       LEU  94   8.234   0.169   8.411
  762   2HB   LEU  94          2HB       LEU  94   7.607  -1.465   8.303
  763    HG   LEU  94           HG       LEU  94   9.504  -0.158   6.354
  764   1HD1  LEU  94          1HD1      LEU  94  10.526  -0.762   8.495
  765   2HD1  LEU  94          2HD1      LEU  94  11.113  -1.782   7.181
  766   3HD1  LEU  94          3HD1      LEU  94   9.918  -2.408   8.317
  767   1HD2  LEU  94          1HD2      LEU  94   7.953  -1.689   5.240
  768   2HD2  LEU  94          2HD2      LEU  94   8.383  -2.958   6.388
  769   3HD2  LEU  94          3HD2      LEU  94   9.595  -2.334   5.268
  770    H    ALA  95           H        ALA  95   6.299   1.760   8.596
  771    HA   ALA  95           HA       ALA  95   4.355   0.609  10.237
  772   1HB   ALA  95          1HB       ALA  95   5.651   2.577  10.882
  773   2HB   ALA  95          2HB       ALA  95   3.920   2.871  11.041
  774   3HB   ALA  95          3HB       ALA  95   4.805   3.537   9.669
  775    H    GLU  96           H        GLU  96   4.012   2.706   7.399
  776    HA   GLU  96           HA       GLU  96   1.208   2.938   7.517
  777   1HB   GLU  96          1HB       GLU  96   2.836   4.343   6.150
  778   2HB   GLU  96          2HB       GLU  96   2.855   3.022   4.990
  779   1HG   GLU  96          1HG       GLU  96   1.302   4.633   4.215
  780   2HG   GLU  96          2HG       GLU  96   0.381   3.249   4.804
  781    H    LEU  97           H        LEU  97   3.343   0.641   5.873
  782    HA   LEU  97           HA       LEU  97   1.329  -0.781   4.510
  783   1HB   LEU  97          1HB       LEU  97   4.080  -1.593   5.430
  784   2HB   LEU  97          2HB       LEU  97   3.038  -2.659   4.508
  785    HG   LEU  97           HG       LEU  97   4.042   0.028   3.561
  786   1HD1  LEU  97          1HD1      LEU  97   5.837  -1.607   3.721
  787   2HD1  LEU  97          2HD1      LEU  97   5.434  -1.286   2.035
  788   3HD1  LEU  97          3HD1      LEU  97   4.875  -2.770   2.808
  789   1HD2  LEU  97          1HD2      LEU  97   3.141  -0.672   1.390
  790   2HD2  LEU  97          2HD2      LEU  97   1.871  -0.556   2.607
  791   3HD2  LEU  97          3HD2      LEU  97   2.493  -2.136   2.130
  792    H    GLU  98           H        GLU  98   2.675  -1.149   7.768
  793    HA   GLU  98           HA       GLU  98   1.251  -3.521   8.375
  794   1HB   GLU  98          1HB       GLU  98   2.352  -1.388  10.206
  795   2HB   GLU  98          2HB       GLU  98   1.683  -2.918  10.761
  796   1HG   GLU  98          1HG       GLU  98   3.407  -4.048   9.302
  797   2HG   GLU  98          2HG       GLU  98   4.150  -2.460   9.117
  798    H    LYS  99           H        LYS  99   0.468  -0.080   8.845
  799    HA   LYS  99           HA       LYS  99  -2.031  -0.429  10.076
  800   1HB   LYS  99          1HB       LYS  99  -0.774   1.713   8.453
  801   2HB   LYS  99          2HB       LYS  99  -2.526   1.731   8.536
  802   1HG   LYS  99          1HG       LYS  99  -1.821   3.145  10.249
  803   2HG   LYS  99          2HG       LYS  99  -2.259   1.640  11.058
  804   1HD   LYS  99          1HD       LYS  99   0.058   1.009  11.236
  805   2HD   LYS  99          2HD       LYS  99   0.550   2.410  10.278
  806   1HE   LYS  99          1HE       LYS  99  -0.759   2.457  12.997
  807   2HE   LYS  99          2HE       LYS  99   0.928   2.826  12.639
  808   1HZ   LYS  99          1HZ       LYS  99   0.121   4.677  11.226
  809   2HZ   LYS  99          2HZ       LYS  99  -0.264   4.867  12.866
  810   3HZ   LYS  99          3HZ       LYS  99  -1.459   4.371  11.771
  811    H    LEU 100           H        LEU 100  -1.087  -0.368   6.690
  812    HA   LEU 100           HA       LEU 100  -3.619  -0.571   5.531
  813   1HB   LEU 100          1HB       LEU 100  -1.313  -0.117   4.468
  814   2HB   LEU 100          2HB       LEU 100  -1.147  -1.859   4.402
  815    HG   LEU 100           HG       LEU 100  -3.205  -1.967   3.014
  816   1HD1  LEU 100          1HD1      LEU 100  -4.048   0.102   2.012
  817   2HD1  LEU 100          2HD1      LEU 100  -2.965   1.038   3.043
  818   3HD1  LEU 100          3HD1      LEU 100  -4.265   0.088   3.763
  819   1HD2  LEU 100          1HD2      LEU 100  -1.002  -1.964   1.972
  820   2HD2  LEU 100          2HD2      LEU 100  -1.003  -0.201   1.949
  821   3HD2  LEU 100          3HD2      LEU 100  -2.171  -1.096   0.975
  822    H    ASP 101           H        ASP 101  -1.275  -3.127   6.348
  823    HA   ASP 101           HA       ASP 101  -2.811  -5.322   5.552
  824   1HB   ASP 101          1HB       ASP 101  -0.490  -5.647   6.012
  825   2HB   ASP 101          2HB       ASP 101  -0.671  -5.067   7.664
  826    H    ALA 102           H        ALA 102  -2.688  -3.644   8.663
  827    HA   ALA 102           HA       ALA 102  -4.318  -5.385  10.130
  828   1HB   ALA 102          1HB       ALA 102  -2.986  -3.595  11.146
  829   2HB   ALA 102          2HB       ALA 102  -4.675  -3.520  11.652
  830   3HB   ALA 102          3HB       ALA 102  -4.068  -2.395  10.436
  831    H    LEU 103           H        LEU 103  -5.107  -2.977   7.757
  832    HA   LEU 103           HA       LEU 103  -7.918  -2.929   8.372
  833   1HB   LEU 103          1HB       LEU 103  -6.412  -1.962   5.945
  834   2HB   LEU 103          2HB       LEU 103  -8.104  -1.644   6.277
  835    HG   LEU 103           HG       LEU 103  -5.799  -0.707   7.984
  836   1HD1  LEU 103          1HD1      LEU 103  -5.845   0.389   5.806
  837   2HD1  LEU 103          2HD1      LEU 103  -6.305   1.501   7.095
  838   3HD1  LEU 103          3HD1      LEU 103  -7.541   0.805   6.046
  839   1HD2  LEU 103          1HD2      LEU 103  -7.491   0.665   9.097
  840   2HD2  LEU 103          2HD2      LEU 103  -7.845  -1.056   9.261
  841   3HD2  LEU 103          3HD2      LEU 103  -8.746  -0.077   8.103
  842    H    PHE 104           H        PHE 104  -5.804  -4.579   6.082
  843    HA   PHE 104           HA       PHE 104  -7.838  -5.824   4.568
  844   1HB   PHE 104          1HB       PHE 104  -4.962  -6.554   5.096
  845   2HB   PHE 104          2HB       PHE 104  -6.006  -7.555   4.092
  846    HD1  PHE 104           HD1      PHE 104  -6.928  -6.638   1.989
  847    HD2  PHE 104           HD2      PHE 104  -4.028  -4.538   4.272
  848    HE1  PHE 104           HE1      PHE 104  -6.419  -5.234   0.037
  849    HE2  PHE 104           HE2      PHE 104  -3.513  -3.124   2.328
  850    HZ   PHE 104           HZ       PHE 104  -4.708  -3.471   0.205
  851    H    ALA 105           H        ALA 105  -6.353  -6.562   7.631
  852    HA   ALA 105           HA       ALA 105  -7.452  -9.201   7.848
  853   1HB   ALA 105          1HB       ALA 105  -5.395  -8.561   9.010
  854   2HB   ALA 105          2HB       ALA 105  -6.622  -9.141  10.135
  855   3HB   ALA 105          3HB       ALA 105  -6.306  -7.412   9.989
  856    H    ASP 106           H        ASP 106  -8.815  -6.152   8.079
  857    HA   ASP 106           HA       ASP 106 -10.752  -6.806  10.133
  858   1HB   ASP 106          1HB       ASP 106  -9.936  -4.490   9.871
  859   2HB   ASP 106          2HB       ASP 106 -10.626  -4.435   8.254
  860    H    ASP 107           H        ASP 107 -10.434  -7.066   6.721
  861    HA   ASP 107           HA       ASP 107 -13.281  -7.741   6.432
  862   1HB   ASP 107          1HB       ASP 107 -12.198  -6.121   4.809
  863   2HB   ASP 107          2HB       ASP 107 -11.212  -7.459   4.238
  864    H    ALA 108           H        ALA 108 -11.256  -9.348   7.804
  865    HA   ALA 108           HA       ALA 108 -10.526 -11.538   6.112
  866   1HB   ALA 108          1HB       ALA 108  -9.187 -10.932   8.065
  867   2HB   ALA 108          2HB       ALA 108  -9.741 -12.604   8.156
  868   3HB   ALA 108          3HB       ALA 108 -10.532 -11.360   9.123
  869    H    SER 109           H        SER 109 -11.209 -13.765   6.489
  870    HA   SER 109           HA       SER 109 -14.084 -13.925   6.475
  871   1HB   SER 109          1HB       SER 109 -12.055 -16.158   6.243
  872   2HB   SER 109          2HB       SER 109 -13.741 -16.200   5.730
  873    HG   SER 109           HG       SER 109 -11.686 -15.534   4.271
  874    H    LEU 110           H        LEU 110 -13.282 -13.153   9.014
  875    HA   LEU 110           HA       LEU 110 -13.610 -15.615  10.602
  876   1HB   LEU 110          1HB       LEU 110 -11.993 -13.174  11.340
  877   2HB   LEU 110          2HB       LEU 110 -12.214 -14.597  12.339
  878    HG   LEU 110           HG       LEU 110 -10.784 -14.530   9.680
  879   1HD1  LEU 110          1HD1      LEU 110  -9.740 -14.752  12.497
  880   2HD1  LEU 110          2HD1      LEU 110  -9.520 -13.391  11.396
  881   3HD1  LEU 110          3HD1      LEU 110  -8.776 -14.949  11.033
  882   1HD2  LEU 110          1HD2      LEU 110 -10.121 -16.816  10.205
  883   2HD2  LEU 110          2HD2      LEU 110 -11.876 -16.676  10.094
  884   3HD2  LEU 110          3HD2      LEU 110 -11.098 -16.770  11.674
  885    H    GLU 111           H        GLU 111 -15.241 -12.960   9.679
  886    HA   GLU 111           HA       GLU 111 -16.359 -12.464  12.353
  887   1HB   GLU 111          1HB       GLU 111 -15.557 -10.421  11.380
  888   2HB   GLU 111          2HB       GLU 111 -16.424 -10.735   9.880
  889   1HG   GLU 111          1HG       GLU 111 -18.542 -10.479  10.996
  890   2HG   GLU 111          2HG       GLU 111 -17.742 -10.301  12.553
  891    H    HIS 112           H        HIS 112 -17.466 -12.680   8.951
  892    HA   HIS 112           HA       HIS 112 -20.203 -12.823   9.862
  893   1HB   HIS 112          1HB       HIS 112 -19.082 -13.110   7.066
  894   2HB   HIS 112          2HB       HIS 112 -20.777 -12.887   7.482
  895    HD1  HIS 112           HD1      HIS 112 -17.898 -11.055   6.440
  896    HD2  HIS 112           HD2      HIS 112 -21.134 -10.275   8.937
  897    HE1  HIS 112           HE1      HIS 112 -18.000  -8.548   6.662
  898    HE2  HIS 112           HE2      HIS 112 -19.816  -8.123   8.355
  899    H    HIS 113           H        HIS 113 -20.734 -14.679  10.850
  900    HA   HIS 113           HA       HIS 113 -19.687 -17.200   9.882
  901   1HB   HIS 113          1HB       HIS 113 -21.412 -16.488  12.247
  902   2HB   HIS 113          2HB       HIS 113 -21.000 -18.151  11.828
  903    HD1  HIS 113           HD1      HIS 113 -19.776 -15.253  13.648
  904    HD2  HIS 113           HD2      HIS 113 -18.117 -18.632  11.885
  905    HE1  HIS 113           HE1      HIS 113 -17.461 -15.461  14.622
  906    HE2  HIS 113           HE2      HIS 113 -16.420 -17.422  13.416
  907    H    HIS 114           H        HIS 114 -22.436 -15.326   9.260
  908    HA   HIS 114           HA       HIS 114 -24.074 -17.584   8.452
  909   1HB   HIS 114          1HB       HIS 114 -24.397 -14.628   7.856
  910   2HB   HIS 114          2HB       HIS 114 -25.579 -15.877   7.479
  911    HD1  HIS 114           HD1      HIS 114 -25.193 -13.319   9.789
  912    HD2  HIS 114           HD2      HIS 114 -26.074 -17.368  10.195
  913    HE1  HIS 114           HE1      HIS 114 -26.265 -13.558  12.049
  914    HE2  HIS 114           HE2      HIS 114 -26.634 -16.032  12.345
  915    H    HIS 115           H        HIS 115 -21.423 -15.970   7.377
  916    HA   HIS 115           HA       HIS 115 -21.610 -17.255   4.739
  917   1HB   HIS 115          1HB       HIS 115 -20.300 -14.614   5.452
  918   2HB   HIS 115          2HB       HIS 115 -20.012 -15.467   3.942
  919    HD1  HIS 115           HD1      HIS 115 -21.577 -12.611   4.740
  920    HD2  HIS 115           HD2      HIS 115 -23.057 -16.099   3.044
  921    HE1  HIS 115           HE1      HIS 115 -23.641 -11.924   3.484
  922    HE2  HIS 115           HE2      HIS 115 -24.427 -14.025   2.331
  923    H    HIS 116           H        HIS 116 -18.911 -16.889   4.073
  924    HA   HIS 116           HA       HIS 116 -17.425 -17.682   6.475
  925   1HB   HIS 116          1HB       HIS 116 -15.931 -19.084   4.953
  926   2HB   HIS 116          2HB       HIS 116 -17.515 -19.740   5.336
  927    HD1  HIS 116           HD1      HIS 116 -18.778 -20.605   3.422
  928    HD2  HIS 116           HD2      HIS 116 -15.936 -17.802   2.256
  929    HE1  HIS 116           HE1      HIS 116 -18.849 -20.570   0.911
  930    HE2  HIS 116           HE2      HIS 116 -16.931 -19.084   0.239
  931    H    HIS 117           H        HIS 117 -17.642 -15.179   5.922
  932    HA   HIS 117           HA       HIS 117 -14.996 -14.289   5.529
  933   1HB   HIS 117          1HB       HIS 117 -15.739 -14.665   3.128
  934   2HB   HIS 117          2HB       HIS 117 -16.929 -13.393   3.376
  935    HD1  HIS 117           HD1      HIS 117 -13.183 -13.901   3.386
  936    HD2  HIS 117           HD2      HIS 117 -15.974 -10.849   3.006
  937    HE1  HIS 117           HE1      HIS 117 -11.873 -11.873   2.693
  938    HE2  HIS 117           HE2      HIS 117 -13.541  -9.986   2.758
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1 -19.502   3.672   3.953
    2   2H    MET   1          2H        MET   1 -18.052   3.535   3.093
    3   3H    MET   1          3H        MET   1 -18.692   5.067   3.428
    4    HA   MET   1           HA       MET   1 -16.822   4.528   4.871
    5   1HB   MET   1          1HB       MET   1 -19.525   4.687   6.219
    6   2HB   MET   1          2HB       MET   1 -17.995   4.925   7.049
    7   1HG   MET   1          1HG       MET   1 -17.516   6.833   5.581
    8   2HG   MET   1          2HG       MET   1 -19.086   6.612   4.810
    9   1HE   MET   1          1HE       MET   1 -18.289   6.085   8.617
   10   2HE   MET   1          2HE       MET   1 -18.567   7.702   9.261
   11   3HE   MET   1          3HE       MET   1 -17.221   7.413   8.159
   12    H    THR   2           H        THR   2 -15.841   2.555   4.850
   13    HA   THR   2           HA       THR   2 -16.804   0.591   6.775
   14    HB   THR   2           HB       THR   2 -16.331  -1.295   5.215
   15    HG1  THR   2           HG1      THR   2 -16.629  -0.048   2.867
   16   1HG2  THR   2          1HG2      THR   2 -18.646  -0.588   5.551
   17   2HG2  THR   2          2HG2      THR   2 -18.390  -1.153   3.899
   18   3HG2  THR   2          3HG2      THR   2 -18.489   0.576   4.234
   19    H    THR   3           H        THR   3 -15.009  -1.230   6.886
   20    HA   THR   3           HA       THR   3 -12.474  -0.125   7.342
   21    HB   THR   3           HB       THR   3 -13.111  -3.004   6.657
   22    HG1  THR   3           HG1      THR   3 -14.360  -2.389   8.411
   23   1HG2  THR   3          1HG2      THR   3 -10.721  -2.483   6.589
   24   2HG2  THR   3          2HG2      THR   3 -11.106  -3.511   7.969
   25   3HG2  THR   3          3HG2      THR   3 -10.821  -1.788   8.207
   26    H    HIS   4           H        HIS   4 -13.843  -1.787   4.532
   27    HA   HIS   4           HA       HIS   4 -11.673  -1.805   2.803
   28   1HB   HIS   4          1HB       HIS   4 -14.581  -1.258   2.152
   29   2HB   HIS   4          2HB       HIS   4 -13.345  -1.631   0.958
   30    HD1  HIS   4           HD1      HIS   4 -15.988  -3.203   2.674
   31    HD2  HIS   4           HD2      HIS   4 -12.106  -4.317   1.711
   32    HE1  HIS   4           HE1      HIS   4 -15.967  -5.710   2.744
   33    HE2  HIS   4           HE2      HIS   4 -13.672  -6.358   1.952
   34    H    ASP   5           H        ASP   5 -14.045   0.737   3.403
   35    HA   ASP   5           HA       ASP   5 -13.095   2.634   1.582
   36   1HB   ASP   5          1HB       ASP   5 -15.281   2.785   2.691
   37   2HB   ASP   5          2HB       ASP   5 -14.484   3.072   4.234
   38    H    ARG   6           H        ARG   6 -12.254   2.070   4.986
   39    HA   ARG   6           HA       ARG   6 -10.496   4.271   5.189
   40   1HB   ARG   6          1HB       ARG   6 -10.680   1.730   6.794
   41   2HB   ARG   6          2HB       ARG   6  -9.572   3.040   7.181
   42   1HG   ARG   6          1HG       ARG   6 -11.696   4.516   7.166
   43   2HG   ARG   6          2HG       ARG   6 -12.553   2.980   7.331
   44   1HD   ARG   6          1HD       ARG   6 -12.149   3.950   9.512
   45   2HD   ARG   6          2HD       ARG   6 -11.213   2.467   9.323
   46    HE   ARG   6           HE       ARG   6  -9.610   4.637   8.557
   47   1HH1  ARG   6          1HH1      ARG   6 -11.075   3.260  11.419
   48   2HH1  ARG   6          2HH1      ARG   6  -9.873   3.901  12.502
   49   1HH2  ARG   6          1HH2      ARG   6  -8.029   5.496   9.983
   50   2HH2  ARG   6          2HH2      ARG   6  -8.149   5.183  11.689
   51    H    VAL   7           H        VAL   7 -10.031   0.971   4.074
   52    HA   VAL   7           HA       VAL   7  -7.200   1.105   3.877
   53    HB   VAL   7           HB       VAL   7  -9.080  -0.520   2.145
   54   1HG1  VAL   7          1HG1      VAL   7  -6.831  -0.391   1.239
   55   2HG1  VAL   7          2HG1      VAL   7  -7.155  -2.009   1.856
   56   3HG1  VAL   7          3HG1      VAL   7  -6.158  -0.893   2.790
   57   1HG2  VAL   7          1HG2      VAL   7  -8.638  -2.357   3.733
   58   2HG2  VAL   7          2HG2      VAL   7  -9.519  -1.013   4.461
   59   3HG2  VAL   7          3HG2      VAL   7  -7.795  -1.215   4.782
   60    H    ARG   8           H        ARG   8  -9.852   1.997   1.755
   61    HA   ARG   8           HA       ARG   8  -8.369   2.759  -0.513
   62   1HB   ARG   8          1HB       ARG   8 -10.844   2.485  -0.417
   63   2HB   ARG   8          2HB       ARG   8 -10.941   3.951   0.543
   64   1HG   ARG   8          1HG       ARG   8  -9.905   5.172  -1.388
   65   2HG   ARG   8          2HG       ARG   8 -10.102   3.692  -2.333
   66   1HD   ARG   8          1HD       ARG   8 -12.535   3.747  -1.693
   67   2HD   ARG   8          2HD       ARG   8 -12.248   5.359  -1.044
   68    HE   ARG   8           HE       ARG   8 -11.599   4.817  -3.854
   69   1HH1  ARG   8          1HH1      ARG   8 -13.565   6.476  -1.464
   70   2HH1  ARG   8          2HH1      ARG   8 -14.357   7.485  -2.637
   71   1HH2  ARG   8          1HH2      ARG   8 -12.646   6.130  -5.383
   72   2HH2  ARG   8          2HH2      ARG   8 -13.836   7.285  -4.866
   73    H    LEU   9           H        LEU   9  -9.438   4.549   2.344
   74    HA   LEU   9           HA       LEU   9  -8.266   7.027   1.695
   75   1HB   LEU   9          1HB       LEU   9  -8.720   5.867   4.445
   76   2HB   LEU   9          2HB       LEU   9  -8.516   7.563   4.053
   77    HG   LEU   9           HG       LEU   9 -10.840   5.829   3.211
   78   1HD1  LEU   9          1HD1      LEU   9 -10.869   6.316   5.587
   79   2HD1  LEU   9          2HD1      LEU   9 -12.132   7.220   4.755
   80   3HD1  LEU   9          3HD1      LEU   9 -10.651   8.034   5.256
   81   1HD2  LEU   9          1HD2      LEU   9 -10.345   7.549   1.555
   82   2HD2  LEU   9          2HD2      LEU   9 -10.365   8.781   2.813
   83   3HD2  LEU   9          3HD2      LEU   9 -11.843   7.909   2.410
   84    H    GLN  10           H        GLN  10  -7.030   4.150   3.266
   85    HA   GLN  10           HA       GLN  10  -4.566   5.195   4.143
   86   1HB   GLN  10          1HB       GLN  10  -5.466   3.096   4.985
   87   2HB   GLN  10          2HB       GLN  10  -5.342   2.371   3.390
   88   1HG   GLN  10          1HG       GLN  10  -3.565   1.642   4.906
   89   2HG   GLN  10          2HG       GLN  10  -2.943   2.466   3.479
   90   1HE2  GLN  10          1HE2      GLN  10  -1.926   4.429   3.701
   91   2HE2  GLN  10          2HE2      GLN  10  -1.433   5.068   5.241
   92    H    LEU  11           H        LEU  11  -5.561   3.699   1.090
   93    HA   LEU  11           HA       LEU  11  -3.048   3.647  -0.153
   94   1HB   LEU  11          1HB       LEU  11  -5.761   4.130  -1.387
   95   2HB   LEU  11          2HB       LEU  11  -4.306   3.736  -2.282
   96    HG   LEU  11           HG       LEU  11  -5.645   1.938  -0.260
   97   1HD1  LEU  11          1HD1      LEU  11  -6.969   2.204  -2.285
   98   2HD1  LEU  11          2HD1      LEU  11  -6.263   0.590  -2.197
   99   3HD1  LEU  11          3HD1      LEU  11  -5.560   1.802  -3.268
  100   1HD2  LEU  11          1HD2      LEU  11  -4.089   0.237  -1.116
  101   2HD2  LEU  11          2HD2      LEU  11  -3.246   1.576  -0.339
  102   3HD2  LEU  11          3HD2      LEU  11  -3.298   1.470  -2.099
  103    H    GLN  12           H        GLN  12  -5.477   6.190   0.080
  104    HA   GLN  12           HA       GLN  12  -4.108   8.100  -1.501
  105   1HB   GLN  12          1HB       GLN  12  -6.176   8.473   0.676
  106   2HB   GLN  12          2HB       GLN  12  -5.655   9.728  -0.442
  107   1HG   GLN  12          1HG       GLN  12  -6.532   8.473  -2.314
  108   2HG   GLN  12          2HG       GLN  12  -6.969   7.140  -1.246
  109   1HE2  GLN  12          1HE2      GLN  12  -8.611   8.815  -3.022
  110   2HE2  GLN  12          2HE2      GLN  12  -9.849   9.483  -2.009
  111    H    ALA  13           H        ALA  13  -4.144   7.380   1.956
  112    HA   ALA  13           HA       ALA  13  -2.543   9.564   2.781
  113   1HB   ALA  13          1HB       ALA  13  -2.272   8.336   4.869
  114   2HB   ALA  13          2HB       ALA  13  -2.916   6.882   4.108
  115   3HB   ALA  13          3HB       ALA  13  -3.950   8.293   4.329
  116    H    LEU  14           H        LEU  14  -1.780   6.226   1.882
  117    HA   LEU  14           HA       LEU  14   0.986   6.328   2.393
  118   1HB   LEU  14          1HB       LEU  14  -0.242   4.235   2.018
  119   2HB   LEU  14          2HB       LEU  14  -0.527   4.693   0.351
  120    HG   LEU  14           HG       LEU  14   1.926   4.621  -0.051
  121   1HD1  LEU  14          1HD1      LEU  14   2.017   3.481   2.739
  122   2HD1  LEU  14          2HD1      LEU  14   2.684   5.032   2.228
  123   3HD1  LEU  14          3HD1      LEU  14   3.360   3.529   1.598
  124   1HD2  LEU  14          1HD2      LEU  14   0.522   2.719  -0.610
  125   2HD2  LEU  14          2HD2      LEU  14   0.684   2.097   1.032
  126   3HD2  LEU  14          3HD2      LEU  14   2.093   2.176  -0.025
  127    H    GLU  15           H        GLU  15  -0.934   7.085  -0.462
  128    HA   GLU  15           HA       GLU  15   1.077   7.686  -2.280
  129   1HB   GLU  15          1HB       GLU  15  -1.243   7.588  -2.948
  130   2HB   GLU  15          2HB       GLU  15  -1.648   8.934  -1.895
  131   1HG   GLU  15          1HG       GLU  15  -0.216  10.397  -3.280
  132   2HG   GLU  15          2HG       GLU  15   0.057   9.039  -4.371
  133    H    ALA  16           H        ALA  16  -0.534   9.840   0.053
  134    HA   ALA  16           HA       ALA  16   0.952  12.145  -0.584
  135   1HB   ALA  16          1HB       ALA  16   0.105  13.064   1.499
  136   2HB   ALA  16          2HB       ALA  16  -0.401  11.458   2.021
  137   3HB   ALA  16          3HB       ALA  16  -1.173  12.215   0.629
  138    H    LEU  17           H        LEU  17   1.488   9.552   1.741
  139    HA   LEU  17           HA       LEU  17   3.714  10.666   3.052
  140   1HB   LEU  17          1HB       LEU  17   2.493   8.704   3.887
  141   2HB   LEU  17          2HB       LEU  17   3.078   7.760   2.529
  142    HG   LEU  17           HG       LEU  17   5.391   8.767   3.701
  143   1HD1  LEU  17          1HD1      LEU  17   4.100   9.450   5.656
  144   2HD1  LEU  17          2HD1      LEU  17   5.222   8.145   6.043
  145   3HD1  LEU  17          3HD1      LEU  17   3.504   7.800   5.841
  146   1HD2  LEU  17          1HD2      LEU  17   4.066   6.079   4.012
  147   2HD2  LEU  17          2HD2      LEU  17   5.763   6.432   4.342
  148   3HD2  LEU  17          3HD2      LEU  17   5.134   6.580   2.701
  149    H    LEU  18           H        LEU  18   3.533   8.403   0.296
  150    HA   LEU  18           HA       LEU  18   6.295   8.288  -0.206
  151   1HB   LEU  18          1HB       LEU  18   3.981   7.963  -2.121
  152   2HB   LEU  18          2HB       LEU  18   5.644   7.542  -2.486
  153    HG   LEU  18           HG       LEU  18   3.954   6.267  -0.331
  154   1HD1  LEU  18          1HD1      LEU  18   3.977   4.299  -1.782
  155   2HD1  LEU  18          2HD1      LEU  18   4.831   5.222  -3.019
  156   3HD1  LEU  18          3HD1      LEU  18   3.188   5.671  -2.561
  157   1HD2  LEU  18          1HD2      LEU  18   6.724   5.597  -1.320
  158   2HD2  LEU  18          2HD2      LEU  18   5.791   4.656  -0.156
  159   3HD2  LEU  18          3HD2      LEU  18   6.317   6.289   0.250
  160    H    ARG  19           H        ARG  19   3.780  10.447  -1.394
  161    HA   ARG  19           HA       ARG  19   5.165  12.016  -3.184
  162   1HB   ARG  19          1HB       ARG  19   2.837  12.377  -2.881
  163   2HB   ARG  19          2HB       ARG  19   3.033  12.688  -1.163
  164   1HG   ARG  19          1HG       ARG  19   4.354  14.748  -1.842
  165   2HG   ARG  19          2HG       ARG  19   3.739  14.469  -3.473
  166   1HD   ARG  19          1HD       ARG  19   1.463  14.634  -2.684
  167   2HD   ARG  19          2HD       ARG  19   2.015  14.770  -1.016
  168    HE   ARG  19           HE       ARG  19   2.122  16.837  -3.084
  169   1HH1  ARG  19          1HH1      ARG  19   2.887  15.838   0.180
  170   2HH1  ARG  19          2HH1      ARG  19   3.133  17.451   0.770
  171   1HH2  ARG  19          1HH2      ARG  19   2.434  18.969  -2.324
  172   2HH2  ARG  19          2HH2      ARG  19   2.864  19.240  -0.667
  173    H    GLU  20           H        GLU  20   4.854  12.601   0.328
  174    HA   GLU  20           HA       GLU  20   6.567  14.853   0.320
  175   1HB   GLU  20          1HB       GLU  20   5.819  13.059   2.633
  176   2HB   GLU  20          2HB       GLU  20   6.539  14.658   2.763
  177   1HG   GLU  20          1HG       GLU  20   4.545  15.592   1.629
  178   2HG   GLU  20          2HG       GLU  20   3.818  13.986   1.673
  179    H    HIS  21           H        HIS  21   7.143  11.415   0.911
  180    HA   HIS  21           HA       HIS  21   9.894  11.899   1.671
  181   1HB   HIS  21          1HB       HIS  21   8.298   9.375   1.264
  182   2HB   HIS  21          2HB       HIS  21  10.022   9.356   1.617
  183    HD1  HIS  21           HD1      HIS  21  10.762   9.947   4.007
  184    HD2  HIS  21           HD2      HIS  21   6.646  10.143   3.423
  185    HE1  HIS  21           HE1      HIS  21   9.757  10.105   6.306
  186    HE2  HIS  21           HE2      HIS  21   7.287  10.432   5.919
  187    H    GLN  22           H        GLN  22   8.620  12.388  -1.128
  188    HA   GLN  22           HA       GLN  22   9.355  12.490  -3.266
  189   1HB   GLN  22          1HB       GLN  22  12.052  11.952  -2.008
  190   2HB   GLN  22          2HB       GLN  22  11.772  12.636  -3.604
  191   1HG   GLN  22          1HG       GLN  22  10.656  14.560  -2.553
  192   2HG   GLN  22          2HG       GLN  22  11.035  13.884  -0.969
  193   1HE2  GLN  22          1HE2      GLN  22  11.832  16.410  -2.124
  194   2HE2  GLN  22          2HE2      GLN  22  13.562  16.423  -2.143
  195    H    HIS  23           H        HIS  23   8.435   9.937  -2.365
  196    HA   HIS  23           HA       HIS  23   9.942   8.230  -4.237
  197   1HB   HIS  23          1HB       HIS  23   8.523   7.463  -1.684
  198   2HB   HIS  23          2HB       HIS  23   8.942   6.282  -2.922
  199    HD1  HIS  23           HD1      HIS  23  11.701   6.642  -3.631
  200    HD2  HIS  23           HD2      HIS  23  10.422   7.520   0.227
  201    HE1  HIS  23           HE1      HIS  23  13.763   6.545  -2.192
  202    HE2  HIS  23           HE2      HIS  23  12.998   7.333   0.077
  203    H    TRP  24           H        TRP  24   7.735  10.137  -4.612
  204    HA   TRP  24           HA       TRP  24   5.770   8.264  -5.741
  205   1HB   TRP  24          1HB       TRP  24   5.020  10.043  -4.011
  206   2HB   TRP  24          2HB       TRP  24   5.257  11.199  -5.316
  207    HD1  TRP  24           HD1      TRP  24   2.964  11.788  -6.283
  208    HE1  TRP  24           HE1      TRP  24   0.852  10.478  -6.963
  209    HE3  TRP  24           HE3      TRP  24   4.398   7.107  -4.808
  210    HZ2  TRP  24           HZ2      TRP  24  -0.074   7.819  -6.889
  211    HZ3  TRP  24           HZ3      TRP  24   2.840   5.235  -5.150
  212    HH2  TRP  24           HH2      TRP  24   0.649   5.586  -6.169
  213    H    ARG  25           H        ARG  25   6.557   7.878  -7.718
  214    HA   ARG  25           HA       ARG  25   7.356  10.186  -9.363
  215   1HB   ARG  25          1HB       ARG  25   9.014   8.783 -10.435
  216   2HB   ARG  25          2HB       ARG  25   9.264   8.722  -8.694
  217   1HG   ARG  25          1HG       ARG  25   8.116   6.573  -8.596
  218   2HG   ARG  25          2HG       ARG  25   7.837   6.639 -10.335
  219   1HD   ARG  25          1HD       ARG  25  10.318   6.722 -10.646
  220   2HD   ARG  25          2HD       ARG  25  10.486   6.422  -8.914
  221    HE   ARG  25           HE       ARG  25   8.801   4.475 -10.066
  222   1HH1  ARG  25          1HH1      ARG  25  12.173   5.371  -9.805
  223   2HH1  ARG  25          2HH1      ARG  25  12.754   3.783 -10.192
  224   1HH2  ARG  25          1HH2      ARG  25   9.577   2.386 -10.591
  225   2HH2  ARG  25          2HH2      ARG  25  11.287   2.095 -10.658
  226    H    ASN  26           H        ASN  26   7.132   9.832 -11.690
  227    HA   ASN  26           HA       ASN  26   5.122   7.794 -12.396
  228   1HB   ASN  26          1HB       ASN  26   4.112  10.052 -12.478
  229   2HB   ASN  26          2HB       ASN  26   5.376  10.572 -13.586
  230   1HD2  ASN  26          1HD2      ASN  26   5.327   9.890 -15.712
  231   2HD2  ASN  26          2HD2      ASN  26   3.928   9.160 -16.422
  232    H    ASP  27           H        ASP  27   6.670   6.338 -13.043
  233    HA   ASP  27           HA       ASP  27   8.739   7.166 -14.917
  234   1HB   ASP  27          1HB       ASP  27   8.950   5.474 -12.903
  235   2HB   ASP  27          2HB       ASP  27   8.304   4.319 -14.061
  236    H    GLU  28           H        GLU  28   9.124   5.474 -16.728
  237    HA   GLU  28           HA       GLU  28   6.550   4.808 -18.001
  238   1HB   GLU  28          1HB       GLU  28   9.087   5.784 -19.336
  239   2HB   GLU  28          2HB       GLU  28   7.622   5.288 -20.174
  240   1HG   GLU  28          1HG       GLU  28   6.415   7.137 -19.398
  241   2HG   GLU  28          2HG       GLU  28   7.616   7.506 -18.162
  242    HA   PRO  29           HA       PRO  29   9.198   1.112 -17.091
  243   1HB   PRO  29          1HB       PRO  29   7.083  -0.602 -16.740
  244   2HB   PRO  29          2HB       PRO  29   7.778   0.389 -15.452
  245   1HG   PRO  29          1HG       PRO  29   5.348   0.889 -17.126
  246   2HG   PRO  29          2HG       PRO  29   5.581   1.140 -15.385
  247   1HD   PRO  29          1HD       PRO  29   5.675   3.176 -17.131
  248   2HD   PRO  29          2HD       PRO  29   6.719   3.128 -15.697
  249    H    GLN  30           H        GLN  30   9.875  -0.433 -18.445
  250    HA   GLN  30           HA       GLN  30   8.743  -0.537 -21.092
  251   1HB   GLN  30          1HB       GLN  30  11.009  -2.122 -19.852
  252   2HB   GLN  30          2HB       GLN  30  10.600  -2.092 -21.564
  253   1HG   GLN  30          1HG       GLN  30  11.039   0.352 -21.564
  254   2HG   GLN  30          2HG       GLN  30  11.590   0.210 -19.897
  255   1HE2  GLN  30          1HE2      GLN  30  13.634   0.941 -20.430
  256   2HE2  GLN  30          2HE2      GLN  30  14.774  -0.035 -21.303
  257    HA   PRO  31           HA       PRO  31   5.704  -3.562 -20.707
  258   1HB   PRO  31          1HB       PRO  31   7.096  -5.107 -22.843
  259   2HB   PRO  31          2HB       PRO  31   5.401  -4.611 -22.724
  260   1HG   PRO  31          1HG       PRO  31   7.115  -3.330 -24.326
  261   2HG   PRO  31          2HG       PRO  31   5.845  -2.460 -23.447
  262   1HD   PRO  31          1HD       PRO  31   8.769  -2.554 -22.950
  263   2HD   PRO  31          2HD       PRO  31   7.603  -1.263 -22.607
  264    H    HIS  32           H        HIS  32   8.916  -5.037 -21.170
  265    HA   HIS  32           HA       HIS  32   8.214  -7.565 -20.178
  266   1HB   HIS  32          1HB       HIS  32  10.266  -6.932 -21.545
  267   2HB   HIS  32          2HB       HIS  32  10.990  -6.397 -20.030
  268    HD1  HIS  32           HD1      HIS  32   9.954  -9.463 -21.894
  269    HD2  HIS  32           HD2      HIS  32  11.775  -8.460 -18.291
  270    HE1  HIS  32           HE1      HIS  32  10.905 -11.611 -20.994
  271    HE2  HIS  32           HE2      HIS  32  12.046 -10.980 -18.837
  272    H    GLN  33           H        GLN  33   9.224  -4.644 -18.520
  273    HA   GLN  33           HA       GLN  33   9.860  -5.712 -16.007
  274   1HB   GLN  33          1HB       GLN  33   8.755  -3.074 -16.922
  275   2HB   GLN  33          2HB       GLN  33   8.872  -3.423 -15.205
  276   1HG   GLN  33          1HG       GLN  33  11.231  -3.624 -15.321
  277   2HG   GLN  33          2HG       GLN  33  11.212  -3.596 -17.082
  278   1HE2  GLN  33          1HE2      GLN  33  10.738  -1.683 -14.185
  279   2HE2  GLN  33          2HE2      GLN  33  10.959  -0.145 -14.936
  280    H    PHE  34           H        PHE  34   6.780  -4.745 -17.412
  281    HA   PHE  34           HA       PHE  34   5.311  -5.439 -15.021
  282   1HB   PHE  34          1HB       PHE  34   4.613  -3.471 -16.226
  283   2HB   PHE  34          2HB       PHE  34   4.460  -4.383 -17.722
  284    HD1  PHE  34           HD1      PHE  34   3.107  -4.254 -14.258
  285    HD2  PHE  34           HD2      PHE  34   2.410  -5.189 -18.352
  286    HE1  PHE  34           HE1      PHE  34   0.739  -4.683 -13.749
  287    HE2  PHE  34           HE2      PHE  34   0.036  -5.622 -17.848
  288    HZ   PHE  34           HZ       PHE  34  -0.800  -5.366 -15.546
  289    H    ASN  35           H        ASN  35   5.832  -6.716 -18.259
  290    HA   ASN  35           HA       ASN  35   3.743  -8.637 -18.182
  291   1HB   ASN  35          1HB       ASN  35   6.209  -8.427 -19.908
  292   2HB   ASN  35          2HB       ASN  35   5.010  -9.702 -20.103
  293   1HD2  ASN  35          1HD2      ASN  35   5.799  -7.671 -21.978
  294   2HD2  ASN  35          2HD2      ASN  35   4.373  -6.765 -22.356
  295    H    SER  36           H        SER  36   6.624  -8.558 -16.479
  296    HA   SER  36           HA       SER  36   7.211 -11.285 -16.230
  297   1HB   SER  36          1HB       SER  36   8.048 -10.687 -13.964
  298   2HB   SER  36          2HB       SER  36   8.612  -9.554 -15.193
  299    HG   SER  36           HG       SER  36   7.611  -8.013 -14.175
  300    H    THR  37           H        THR  37   4.722  -9.233 -14.876
  301    HA   THR  37           HA       THR  37   2.733  -9.631 -13.884
  302    HB   THR  37           HB       THR  37   2.995 -12.450 -14.951
  303    HG1  THR  37           HG1      THR  37   3.364 -10.563 -16.455
  304   1HG2  THR  37          1HG2      THR  37   0.563 -10.710 -14.494
  305   2HG2  THR  37          2HG2      THR  37   1.066 -12.040 -13.452
  306   3HG2  THR  37          3HG2      THR  37   0.561 -12.362 -15.111
  307    H    GLN  38           H        GLN  38   5.339 -10.264 -12.564
  308    HA   GLN  38           HA       GLN  38   4.591 -12.266 -10.582
  309   1HB   GLN  38          1HB       GLN  38   6.913 -12.182 -11.501
  310   2HB   GLN  38          2HB       GLN  38   7.096 -10.588 -10.785
  311   1HG   GLN  38          1HG       GLN  38   8.112 -11.919  -9.229
  312   2HG   GLN  38          2HG       GLN  38   6.480 -11.787  -8.574
  313   1HE2  GLN  38          1HE2      GLN  38   8.836 -13.852  -9.985
  314   2HE2  GLN  38          2HE2      GLN  38   7.990 -15.344  -9.762
  315    HA   PRO  39           HA       PRO  39   3.003  -9.212  -7.664
  316   1HB   PRO  39          1HB       PRO  39   4.108 -11.337  -5.876
  317   2HB   PRO  39          2HB       PRO  39   2.557 -10.493  -5.782
  318   1HG   PRO  39          1HG       PRO  39   2.657 -12.970  -6.707
  319   2HG   PRO  39          2HG       PRO  39   1.619 -11.765  -7.494
  320   1HD   PRO  39          1HD       PRO  39   4.245 -12.872  -8.379
  321   2HD   PRO  39          2HD       PRO  39   2.838 -12.385  -9.348
  322    H    PHE  40           H        PHE  40   4.080  -7.539  -6.810
  323    HA   PHE  40           HA       PHE  40   5.690  -6.217  -5.900
  324   1HB   PHE  40          1HB       PHE  40   7.138  -8.767  -5.164
  325   2HB   PHE  40          2HB       PHE  40   7.434  -7.168  -4.500
  326    HD1  PHE  40           HD1      PHE  40   5.207 -10.056  -4.511
  327    HD2  PHE  40           HD2      PHE  40   5.985  -6.240  -2.813
  328    HE1  PHE  40           HE1      PHE  40   3.644 -10.560  -2.692
  329    HE2  PHE  40           HE2      PHE  40   4.412  -6.732  -0.986
  330    HZ   PHE  40           HZ       PHE  40   3.241  -8.904  -0.931
  331    H    PHE  41           H        PHE  41   6.001  -7.835  -8.617
  332    HA   PHE  41           HA       PHE  41   7.509  -8.176 -10.273
  333   1HB   PHE  41          1HB       PHE  41   8.613  -5.623  -9.094
  334   2HB   PHE  41          2HB       PHE  41   9.289  -6.367 -10.538
  335    HD1  PHE  41           HD2      PHE  41   6.537  -7.332 -11.599
  336    HD2  PHE  41           HD1      PHE  41   7.959  -3.588 -10.163
  337    HE1  PHE  41           HE2      PHE  41   4.858  -6.172 -12.972
  338    HE2  PHE  41           HE1      PHE  41   6.282  -2.423 -11.534
  339    HZ   PHE  41           HZ       PHE  41   4.730  -3.714 -12.942
  340    H    MET  42           H        MET  42   7.942  -9.661  -7.920
  341    HA   MET  42           HA       MET  42  10.588  -9.657  -7.005
  342   1HB   MET  42          1HB       MET  42   8.552 -11.877  -7.175
  343   2HB   MET  42          2HB       MET  42  10.128 -12.087  -6.424
  344   1HG   MET  42          1HG       MET  42   9.584 -10.238  -4.876
  345   2HG   MET  42          2HG       MET  42   7.977 -10.162  -5.590
  346   1HE   MET  42          1HE       MET  42   5.980 -11.651  -4.822
  347   2HE   MET  42          2HE       MET  42   6.215 -13.333  -4.352
  348   3HE   MET  42          3HE       MET  42   6.756 -12.775  -5.938
  349    H    ASP  43           H        ASP  43   9.314 -10.626 -10.011
  350    HA   ASP  43           HA       ASP  43  11.502 -12.392 -10.685
  351   1HB   ASP  43          1HB       ASP  43   9.267 -12.808 -11.625
  352   2HB   ASP  43          2HB       ASP  43   9.310 -11.238 -12.425
  353    H    THR  44           H        THR  44  10.293  -9.259 -11.878
  354    HA   THR  44           HA       THR  44  12.692  -8.807 -13.395
  355    HB   THR  44           HB       THR  44  11.500  -6.487 -13.691
  356    HG1  THR  44           HG1      THR  44   9.360  -6.498 -13.164
  357   1HG2  THR  44          1HG2      THR  44  10.122  -7.455 -15.488
  358   2HG2  THR  44          2HG2      THR  44  10.374  -9.062 -14.807
  359   3HG2  THR  44          3HG2      THR  44  11.741  -8.155 -15.459
  360    H    MET  45           H        MET  45  11.843  -8.329 -10.191
  361    HA   MET  45           HA       MET  45  13.107  -7.605  -8.444
  362   1HB   MET  45          1HB       MET  45  15.161  -6.779 -10.488
  363   2HB   MET  45          2HB       MET  45  15.426  -7.044  -8.771
  364   1HG   MET  45          1HG       MET  45  15.117  -9.381  -8.996
  365   2HG   MET  45          2HG       MET  45  14.515  -9.204 -10.643
  366   1HE   MET  45          1HE       MET  45  17.760 -10.970 -11.592
  367   2HE   MET  45          2HE       MET  45  16.033 -10.784 -11.897
  368   3HE   MET  45          3HE       MET  45  16.595 -11.370 -10.331
  369    H    GLU  46           H        GLU  46  11.172  -5.869  -9.550
  370    HA   GLU  46           HA       GLU  46  12.462  -3.264  -9.112
  371   1HB   GLU  46          1HB       GLU  46  10.215  -3.982 -10.984
  372   2HB   GLU  46          2HB       GLU  46  10.564  -2.324 -10.518
  373   1HG   GLU  46          1HG       GLU  46  12.590  -4.145 -11.787
  374   2HG   GLU  46          2HG       GLU  46  11.536  -3.069 -12.705
  375    HA   PRO  47           HA       PRO  47   9.368  -3.483  -5.743
  376   1HB   PRO  47          1HB       PRO  47  10.928  -2.300  -3.888
  377   2HB   PRO  47          2HB       PRO  47  11.038  -4.030  -4.238
  378   1HG   PRO  47          1HG       PRO  47  12.791  -1.791  -5.169
  379   2HG   PRO  47          2HG       PRO  47  13.246  -3.412  -4.609
  380   1HD   PRO  47          1HD       PRO  47  13.099  -2.708  -7.246
  381   2HD   PRO  47          2HD       PRO  47  12.845  -4.362  -6.657
  382    H    LEU  48           H        LEU  48   8.428  -1.646  -4.547
  383    HA   LEU  48           HA       LEU  48   7.639   0.467  -4.309
  384   1HB   LEU  48          1HB       LEU  48  10.117   1.271  -5.833
  385   2HB   LEU  48          2HB       LEU  48   8.978   2.403  -5.129
  386    HG   LEU  48           HG       LEU  48  10.587   0.383  -3.560
  387   1HD1  LEU  48          1HD1      LEU  48  12.029   2.071  -4.542
  388   2HD1  LEU  48          2HD1      LEU  48  11.881   2.325  -2.802
  389   3HD1  LEU  48          3HD1      LEU  48  10.985   3.351  -3.923
  390   1HD2  LEU  48          1HD2      LEU  48   8.878   2.697  -2.643
  391   2HD2  LEU  48          2HD2      LEU  48   9.827   1.624  -1.611
  392   3HD2  LEU  48          3HD2      LEU  48   8.452   0.991  -2.516
  393    H    GLU  49           H        GLU  49   8.979   0.027  -7.569
  394    HA   GLU  49           HA       GLU  49   7.215   1.635  -8.988
  395   1HB   GLU  49          1HB       GLU  49   9.284   0.596  -9.882
  396   2HB   GLU  49          2HB       GLU  49   8.474  -0.963  -9.887
  397   1HG   GLU  49          1HG       GLU  49   6.908  -0.196 -11.543
  398   2HG   GLU  49          2HG       GLU  49   7.586   1.431 -11.476
  399    H    TRP  50           H        TRP  50   6.968  -1.820  -8.222
  400    HA   TRP  50           HA       TRP  50   4.502  -2.336  -9.415
  401   1HB   TRP  50          1HB       TRP  50   6.000  -4.092  -8.564
  402   2HB   TRP  50          2HB       TRP  50   5.681  -3.571  -6.914
  403    HD1  TRP  50           HD1      TRP  50   3.749  -5.063  -9.924
  404    HE1  TRP  50           HE1      TRP  50   1.836  -6.529  -9.001
  405    HE3  TRP  50           HE3      TRP  50   4.358  -4.113  -4.946
  406    HZ2  TRP  50           HZ2      TRP  50   0.742  -7.184  -6.479
  407    HZ3  TRP  50           HZ3      TRP  50   2.841  -5.199  -3.342
  408    HH2  TRP  50           HH2      TRP  50   1.071  -6.698  -4.092
  409    H    LEU  51           H        LEU  51   5.287  -0.981  -6.265
  410    HA   LEU  51           HA       LEU  51   2.660  -1.022  -5.201
  411   1HB   LEU  51          1HB       LEU  51   4.566  -0.810  -3.743
  412   2HB   LEU  51          2HB       LEU  51   5.088   0.650  -4.559
  413    HG   LEU  51           HG       LEU  51   3.057   1.807  -3.705
  414   1HD1  LEU  51          1HD1      LEU  51   2.674  -0.739  -2.140
  415   2HD1  LEU  51          2HD1      LEU  51   1.613  -0.121  -3.404
  416   3HD1  LEU  51          3HD1      LEU  51   1.790   0.765  -1.890
  417   1HD2  LEU  51          1HD2      LEU  51   4.809   0.546  -1.601
  418   2HD2  LEU  51          2HD2      LEU  51   3.855   2.019  -1.414
  419   3HD2  LEU  51          3HD2      LEU  51   5.203   1.979  -2.552
  420    H    GLN  52           H        GLN  52   4.571   1.484  -6.799
  421    HA   GLN  52           HA       GLN  52   2.714   3.577  -6.512
  422   1HB   GLN  52          1HB       GLN  52   4.885   3.221  -8.587
  423   2HB   GLN  52          2HB       GLN  52   4.089   4.735  -8.188
  424   1HG   GLN  52          1HG       GLN  52   5.118   4.868  -6.102
  425   2HG   GLN  52          2HG       GLN  52   5.564   3.162  -6.115
  426   1HE2  GLN  52          1HE2      GLN  52   7.239   5.500  -5.687
  427   2HE2  GLN  52          2HE2      GLN  52   8.479   5.413  -6.893
  428    H    TRP  53           H        TRP  53   3.447   1.549  -9.365
  429    HA   TRP  53           HA       TRP  53   1.356   2.949 -10.818
  430   1HB   TRP  53          1HB       TRP  53   3.593   2.595 -11.832
  431   2HB   TRP  53          2HB       TRP  53   3.298   0.861 -11.812
  432    HD1  TRP  53           HD1      TRP  53   2.254  -0.108 -13.949
  433    HE1  TRP  53           HE1      TRP  53   1.045   0.853 -16.013
  434    HE3  TRP  53           HE3      TRP  53   1.914   4.784 -12.486
  435    HZ2  TRP  53           HZ2      TRP  53   0.079   3.347 -16.893
  436    HZ3  TRP  53           HZ3      TRP  53   0.832   6.391 -14.003
  437    HH2  TRP  53           HH2      TRP  53  -0.065   5.686 -16.160
  438    H    VAL  54           H        VAL  54   1.834  -0.155  -9.315
  439    HA   VAL  54           HA       VAL  54  -0.477  -1.199 -10.812
  440    HB   VAL  54           HB       VAL  54   1.627  -2.806  -9.358
  441   1HG1  VAL  54          1HG1      VAL  54  -0.547  -3.911  -9.456
  442   2HG1  VAL  54          2HG1      VAL  54   0.627  -4.726 -10.488
  443   3HG1  VAL  54          3HG1      VAL  54  -0.597  -3.676 -11.202
  444   1HG2  VAL  54          1HG2      VAL  54   2.580  -1.699 -11.300
  445   2HG2  VAL  54          2HG2      VAL  54   1.265  -2.299 -12.311
  446   3HG2  VAL  54          3HG2      VAL  54   2.418  -3.430 -11.599
  447    H    LEU  55           H        LEU  55   1.010  -1.626  -7.584
  448    HA   LEU  55           HA       LEU  55  -1.143  -3.051  -6.538
  449   1HB   LEU  55          1HB       LEU  55   1.107  -3.058  -5.555
  450   2HB   LEU  55          2HB       LEU  55   0.868  -1.407  -5.010
  451    HG   LEU  55           HG       LEU  55  -0.981  -2.154  -3.566
  452   1HD1  LEU  55          1HD1      LEU  55  -0.218  -4.911  -4.503
  453   2HD1  LEU  55          2HD1      LEU  55  -1.725  -4.065  -4.857
  454   3HD1  LEU  55          3HD1      LEU  55  -1.346  -4.542  -3.201
  455   1HD2  LEU  55          1HD2      LEU  55   0.370  -3.368  -1.924
  456   2HD2  LEU  55          2HD2      LEU  55   1.254  -2.017  -2.629
  457   3HD2  LEU  55          3HD2      LEU  55   1.595  -3.663  -3.159
  458    H    ILE  56           H        ILE  56  -0.349   0.399  -5.939
  459    HA   ILE  56           HA       ILE  56  -2.551   0.846  -4.279
  460    HB   ILE  56           HB       ILE  56  -1.045   2.843  -5.966
  461   1HG1  ILE  56          1HG1      ILE  56  -0.887   2.149  -3.028
  462   2HG1  ILE  56          2HG1      ILE  56   0.283   1.671  -4.253
  463   1HG2  ILE  56          1HG2      ILE  56  -2.997   3.350  -3.724
  464   2HG2  ILE  56          2HG2      ILE  56  -3.278   3.690  -5.431
  465   3HG2  ILE  56          3HG2      ILE  56  -2.027   4.569  -4.551
  466   1HD1  ILE  56          1HD1      ILE  56   1.088   3.554  -2.958
  467   2HD1  ILE  56          2HD1      ILE  56  -0.339   4.491  -3.404
  468   3HD1  ILE  56          3HD1      ILE  56   0.829   4.020  -4.639
  469    HA   PRO  57           HA       PRO  57  -5.017   2.461  -8.222
  470   1HB   PRO  57          1HB       PRO  57  -3.618   0.798 -10.257
  471   2HB   PRO  57          2HB       PRO  57  -4.325   2.410 -10.412
  472   1HG   PRO  57          1HG       PRO  57  -1.695   2.120 -10.271
  473   2HG   PRO  57          2HG       PRO  57  -2.500   3.449  -9.414
  474   1HD   PRO  57          1HD       PRO  57  -1.432   0.870  -8.339
  475   2HD   PRO  57          2HD       PRO  57  -1.364   2.499  -7.642
  476    H    ARG  58           H        ARG  58  -3.591  -0.804  -8.306
  477    HA   ARG  58           HA       ARG  58  -5.908  -2.145  -9.180
  478   1HB   ARG  58          1HB       ARG  58  -3.274  -2.855  -8.403
  479   2HB   ARG  58          2HB       ARG  58  -4.383  -3.859  -7.480
  480   1HG   ARG  58          1HG       ARG  58  -5.508  -4.421  -9.661
  481   2HG   ARG  58          2HG       ARG  58  -4.150  -3.628 -10.464
  482   1HD   ARG  58          1HD       ARG  58  -2.604  -5.162  -9.346
  483   2HD   ARG  58          2HD       ARG  58  -3.967  -5.958  -8.560
  484    HE   ARG  58           HE       ARG  58  -3.208  -6.137 -11.377
  485   1HH1  ARG  58          1HH1      ARG  58  -5.489  -6.953  -8.849
  486   2HH1  ARG  58          2HH1      ARG  58  -6.179  -8.293  -9.710
  487   1HH2  ARG  58          1HH2      ARG  58  -4.092  -7.927 -12.515
  488   2HH2  ARG  58          2HH2      ARG  58  -5.381  -8.853 -11.795
  489    H    MET  59           H        MET  59  -4.644  -1.493  -5.944
  490    HA   MET  59           HA       MET  59  -6.597  -2.956  -4.535
  491   1HB   MET  59          1HB       MET  59  -4.779  -0.697  -3.742
  492   2HB   MET  59          2HB       MET  59  -5.939  -1.383  -2.614
  493   1HG   MET  59          1HG       MET  59  -3.725  -2.874  -4.005
  494   2HG   MET  59          2HG       MET  59  -3.742  -2.364  -2.316
  495   1HE   MET  59          1HE       MET  59  -4.132  -6.294  -2.159
  496   2HE   MET  59          2HE       MET  59  -3.151  -4.917  -1.658
  497   3HE   MET  59          3HE       MET  59  -3.212  -5.383  -3.358
  498    H    HIS  60           H        HIS  60  -6.597   0.283  -5.859
  499    HA   HIS  60           HA       HIS  60  -8.862   1.288  -4.549
  500   1HB   HIS  60          1HB       HIS  60  -7.591   1.841  -7.201
  501   2HB   HIS  60          2HB       HIS  60  -9.185   2.507  -6.866
  502    HD1  HIS  60           HD1      HIS  60  -9.327   4.495  -5.329
  503    HD2  HIS  60           HD2      HIS  60  -5.507   2.877  -5.530
  504    HE1  HIS  60           HE1      HIS  60  -7.831   6.144  -4.161
  505    HE2  HIS  60           HE2      HIS  60  -5.497   5.281  -4.563
  506    H    ASP  61           H        ASP  61  -8.671  -0.405  -7.697
  507    HA   ASP  61           HA       ASP  61 -11.436  -0.634  -8.087
  508   1HB   ASP  61          1HB       ASP  61  -9.059  -2.104  -9.150
  509   2HB   ASP  61          2HB       ASP  61 -10.664  -2.764  -9.448
  510    H    LEU  62           H        LEU  62  -9.174  -2.703  -6.351
  511    HA   LEU  62           HA       LEU  62 -10.892  -4.871  -5.848
  512   1HB   LEU  62          1HB       LEU  62  -8.443  -4.873  -5.441
  513   2HB   LEU  62          2HB       LEU  62  -8.686  -3.786  -4.087
  514    HG   LEU  62           HG       LEU  62 -10.215  -5.663  -3.149
  515   1HD1  LEU  62          1HD1      LEU  62  -8.561  -7.213  -5.134
  516   2HD1  LEU  62          2HD1      LEU  62 -10.315  -7.045  -5.128
  517   3HD1  LEU  62          3HD1      LEU  62  -9.509  -7.921  -3.826
  518   1HD2  LEU  62          1HD2      LEU  62  -7.220  -5.971  -3.283
  519   2HD2  LEU  62          2HD2      LEU  62  -8.278  -6.734  -2.095
  520   3HD2  LEU  62          3HD2      LEU  62  -8.120  -4.976  -2.136
  521    H    LEU  63           H        LEU  63 -10.234  -1.939  -3.971
  522    HA   LEU  63           HA       LEU  63 -11.999  -2.632  -1.837
  523   1HB   LEU  63          1HB       LEU  63 -10.725   0.001  -2.572
  524   2HB   LEU  63          2HB       LEU  63 -11.555  -0.329  -1.061
  525    HG   LEU  63           HG       LEU  63  -9.138  -1.881  -1.968
  526   1HD1  LEU  63          1HD1      LEU  63  -8.526   0.464  -1.755
  527   2HD1  LEU  63          2HD1      LEU  63  -7.834  -0.494  -0.445
  528   3HD1  LEU  63          3HD1      LEU  63  -9.250   0.514  -0.147
  529   1HD2  LEU  63          1HD2      LEU  63 -10.456  -1.551   0.725
  530   2HD2  LEU  63          2HD2      LEU  63  -9.012  -2.508   0.386
  531   3HD2  LEU  63          3HD2      LEU  63 -10.563  -2.974  -0.311
  532    H    ASP  64           H        ASP  64 -12.282  -0.647  -4.732
  533    HA   ASP  64           HA       ASP  64 -14.784   0.518  -4.129
  534   1HB   ASP  64          1HB       ASP  64 -13.235   0.053  -6.641
  535   2HB   ASP  64          2HB       ASP  64 -14.930   0.514  -6.771
  536    H    ASN  65           H        ASN  65 -13.872  -2.626  -5.251
  537    HA   ASN  65           HA       ASN  65 -16.667  -3.361  -5.718
  538   1HB   ASN  65          1HB       ASN  65 -14.048  -4.751  -6.237
  539   2HB   ASN  65          2HB       ASN  65 -15.565  -5.643  -6.252
  540   1HD2  ASN  65          1HD2      ASN  65 -13.625  -3.253  -7.855
  541   2HD2  ASN  65          2HD2      ASN  65 -14.555  -3.191  -9.316
  542    H    LYS  66           H        LYS  66 -14.889  -2.886  -3.152
  543    HA   LYS  66           HA       LYS  66 -14.945  -3.485  -0.989
  544   1HB   LYS  66          1HB       LYS  66 -17.248  -5.251  -1.819
  545   2HB   LYS  66          2HB       LYS  66 -16.766  -4.946  -0.154
  546   1HG   LYS  66          1HG       LYS  66 -17.187  -2.532  -0.523
  547   2HG   LYS  66          2HG       LYS  66 -17.791  -2.923  -2.136
  548   1HD   LYS  66          1HD       LYS  66 -19.521  -4.344  -1.131
  549   2HD   LYS  66          2HD       LYS  66 -18.921  -3.930   0.476
  550   1HE   LYS  66          1HE       LYS  66 -20.849  -2.575  -0.021
  551   2HE   LYS  66          2HE       LYS  66 -19.413  -1.551   0.004
  552   1HZ   LYS  66          1HZ       LYS  66 -19.391  -1.463  -2.356
  553   2HZ   LYS  66          2HZ       LYS  66 -20.984  -1.138  -1.879
  554   3HZ   LYS  66          3HZ       LYS  66 -20.577  -2.666  -2.488
  555    H    GLN  67           H        GLN  67 -15.874  -6.612  -2.361
  556    HA   GLN  67           HA       GLN  67 -14.876  -8.649  -2.389
  557   1HB   GLN  67          1HB       GLN  67 -12.332  -7.037  -2.092
  558   2HB   GLN  67          2HB       GLN  67 -12.395  -8.749  -2.489
  559   1HG   GLN  67          1HG       GLN  67 -13.634  -6.574  -4.160
  560   2HG   GLN  67          2HG       GLN  67 -12.031  -7.250  -4.438
  561   1HE2  GLN  67          1HE2      GLN  67 -12.827  -9.943  -3.716
  562   2HE2  GLN  67          2HE2      GLN  67 -13.776 -10.545  -5.036
  563    HA   PRO  68           HA       PRO  68 -14.280  -9.906   1.842
  564   1HB   PRO  68          1HB       PRO  68 -12.563 -12.130   1.055
  565   2HB   PRO  68          2HB       PRO  68 -14.209 -12.165   1.691
  566   1HG   PRO  68          1HG       PRO  68 -13.617 -12.824  -0.869
  567   2HG   PRO  68          2HG       PRO  68 -15.159 -12.085  -0.399
  568   1HD   PRO  68          1HD       PRO  68 -12.744 -10.811  -1.635
  569   2HD   PRO  68          2HD       PRO  68 -14.465 -10.553  -2.001
  570    H    LEU  69           H        LEU  69 -11.656  -9.169  -0.183
  571    HA   LEU  69           HA       LEU  69  -9.582  -8.340   0.137
  572   1HB   LEU  69          1HB       LEU  69 -10.457  -8.229   3.012
  573   2HB   LEU  69          2HB       LEU  69  -8.861  -7.726   2.493
  574    HG   LEU  69           HG       LEU  69 -11.504  -6.480   1.760
  575   1HD1  LEU  69          1HD1      LEU  69 -10.532  -4.503   2.809
  576   2HD1  LEU  69          2HD1      LEU  69  -9.062  -5.409   3.169
  577   3HD1  LEU  69          3HD1      LEU  69 -10.586  -5.861   3.934
  578   1HD2  LEU  69          1HD2      LEU  69 -10.243  -4.915   0.375
  579   2HD2  LEU  69          2HD2      LEU  69 -10.083  -6.564  -0.229
  580   3HD2  LEU  69          3HD2      LEU  69  -8.763  -5.826   0.678
  581    HA   PRO  70           HA       PRO  70  -7.185 -11.984   0.976
  582   1HB   PRO  70          1HB       PRO  70  -4.753 -10.939   0.390
  583   2HB   PRO  70          2HB       PRO  70  -5.926 -11.365  -0.864
  584   1HG   PRO  70          1HG       PRO  70  -5.279  -8.686   0.291
  585   2HG   PRO  70          2HG       PRO  70  -5.590  -9.135  -1.395
  586   1HD   PRO  70          1HD       PRO  70  -7.452  -7.968   0.223
  587   2HD   PRO  70          2HD       PRO  70  -7.862  -9.043  -1.128
  588    H    GLY  71           H        GLY  71  -7.174 -12.416   3.116
  589   1HA   GLY  71          1HA       GLY  71  -6.542 -10.402   5.058
  590   2HA   GLY  71          2HA       GLY  71  -6.971 -12.070   5.390
  591    H    ALA  72           H        ALA  72  -4.648 -12.723   3.420
  592    HA   ALA  72           HA       ALA  72  -2.578 -12.541   5.506
  593   1HB   ALA  72          1HB       ALA  72  -3.308 -14.827   5.040
  594   2HB   ALA  72          2HB       ALA  72  -1.626 -14.590   4.570
  595   3HB   ALA  72          3HB       ALA  72  -2.891 -14.620   3.339
  596    H    PHE  73           H        PHE  73  -3.213 -10.586   3.367
  597    HA   PHE  73           HA       PHE  73  -0.813 -10.718   1.704
  598   1HB   PHE  73          1HB       PHE  73  -2.990 -10.126   0.659
  599   2HB   PHE  73          2HB       PHE  73  -3.080  -8.707   1.695
  600    HD1  PHE  73           HD1      PHE  73  -1.065 -10.297  -0.976
  601    HD2  PHE  73           HD2      PHE  73  -2.078  -6.702   1.064
  602    HE1  PHE  73           HE1      PHE  73   0.167  -8.998  -2.663
  603    HE2  PHE  73           HE2      PHE  73  -0.847  -5.395  -0.616
  604    HZ   PHE  73           HZ       PHE  73   0.279  -6.544  -2.485
  605    H    ALA  74           H        ALA  74   0.989  -9.706   2.294
  606    HA   ALA  74           HA       ALA  74   0.820  -7.278   3.920
  607   1HB   ALA  74          1HB       ALA  74   2.533  -8.078   5.460
  608   2HB   ALA  74          2HB       ALA  74   2.564  -9.636   4.633
  609   3HB   ALA  74          3HB       ALA  74   1.116  -9.127   5.501
  610    H    VAL  75           H        VAL  75   2.113  -5.737   3.152
  611    HA   VAL  75           HA       VAL  75   4.160  -6.536   1.188
  612    HB   VAL  75           HB       VAL  75   4.107  -4.175   0.424
  613   1HG1  VAL  75          1HG1      VAL  75   1.908  -4.317  -0.673
  614   2HG1  VAL  75          2HG1      VAL  75   1.469  -5.631   0.419
  615   3HG1  VAL  75          3HG1      VAL  75   2.792  -5.841  -0.728
  616   1HG2  VAL  75          1HG2      VAL  75   3.342  -3.115   2.483
  617   2HG2  VAL  75          2HG2      VAL  75   1.783  -3.926   2.334
  618   3HG2  VAL  75          3HG2      VAL  75   2.269  -2.723   1.141
  619    H    ALA  76           H        ALA  76   3.750  -4.970   4.266
  620    HA   ALA  76           HA       ALA  76   6.026  -3.360   4.324
  621   1HB   ALA  76          1HB       ALA  76   4.798  -4.783   6.670
  622   2HB   ALA  76          2HB       ALA  76   4.217  -3.267   5.980
  623   3HB   ALA  76          3HB       ALA  76   5.818  -3.345   6.719
  624    HA   PRO  77           HA       PRO  77   8.445  -7.117   6.391
  625   1HB   PRO  77          1HB       PRO  77   7.649  -9.545   5.316
  626   2HB   PRO  77          2HB       PRO  77   7.219  -8.953   6.924
  627   1HG   PRO  77          1HG       PRO  77   5.640  -8.870   4.390
  628   2HG   PRO  77          2HG       PRO  77   5.093  -9.200   6.045
  629   1HD   PRO  77          1HD       PRO  77   4.673  -6.819   4.903
  630   2HD   PRO  77          2HD       PRO  77   5.090  -6.949   6.625
  631    H    TYR  78           H        TYR  78   7.158  -7.133   3.118
  632    HA   TYR  78           HA       TYR  78   9.522  -8.281   1.959
  633   1HB   TYR  78          1HB       TYR  78   7.347  -8.550   0.865
  634   2HB   TYR  78          2HB       TYR  78   7.212  -6.806   0.673
  635    HD1  TYR  78           HD1      TYR  78   9.127  -9.786  -0.398
  636    HD2  TYR  78           HD2      TYR  78   8.221  -5.701  -1.162
  637    HE1  TYR  78           HE1      TYR  78  10.261  -9.947  -2.573
  638    HE2  TYR  78           HE2      TYR  78   9.348  -5.849  -3.338
  639    HH   TYR  78           HH       TYR  78  11.070  -7.214  -4.432
  640    H    TYR  79           H        TYR  79   8.155  -5.029   2.264
  641    HA   TYR  79           HA       TYR  79  10.245  -3.811   0.747
  642   1HB   TYR  79          1HB       TYR  79   7.954  -2.771   2.365
  643   2HB   TYR  79          2HB       TYR  79   9.224  -1.671   1.831
  644    HD1  TYR  79           HD1      TYR  79   9.567  -1.225  -0.534
  645    HD2  TYR  79           HD2      TYR  79   6.415  -3.764   0.771
  646    HE1  TYR  79           HE1      TYR  79   8.527  -1.064  -2.754
  647    HE2  TYR  79           HE2      TYR  79   5.362  -3.604  -1.446
  648    HH   TYR  79           HH       TYR  79   5.349  -2.159  -3.379
  649    H    GLU  80           H        GLU  80  10.051  -4.848   3.994
  650    HA   GLU  80           HA       GLU  80  11.956  -3.026   5.074
  651   1HB   GLU  80          1HB       GLU  80  10.429  -4.571   6.407
  652   2HB   GLU  80          2HB       GLU  80  11.545  -5.871   5.999
  653   1HG   GLU  80          1HG       GLU  80  13.357  -4.334   6.981
  654   2HG   GLU  80          2HG       GLU  80  12.011  -3.451   7.695
  655    H    MET  81           H        MET  81  12.142  -5.697   2.955
  656    HA   MET  81           HA       MET  81  15.040  -5.964   3.326
  657   1HB   MET  81          1HB       MET  81  13.163  -7.562   1.573
  658   2HB   MET  81          2HB       MET  81  14.857  -7.921   1.871
  659   1HG   MET  81          1HG       MET  81  14.389  -8.397   4.188
  660   2HG   MET  81          2HG       MET  81  12.703  -7.924   3.975
  661   1HE   MET  81          1HE       MET  81  12.224  -9.089   1.042
  662   2HE   MET  81          2HE       MET  81  11.009  -9.291   2.305
  663   3HE   MET  81          3HE       MET  81  11.548 -10.686   1.366
  664    H    ALA  82           H        ALA  82  12.582  -4.957   1.059
  665    HA   ALA  82           HA       ALA  82  14.374  -4.723  -1.167
  666   1HB   ALA  82          1HB       ALA  82  11.547  -3.729  -0.870
  667   2HB   ALA  82          2HB       ALA  82  12.020  -5.319  -1.470
  668   3HB   ALA  82          3HB       ALA  82  12.452  -3.867  -2.376
  669    H    LEU  83           H        LEU  83  13.280  -2.610   1.357
  670    HA   LEU  83           HA       LEU  83  14.259  -0.257  -0.090
  671   1HB   LEU  83          1HB       LEU  83  12.012  -0.202   1.013
  672   2HB   LEU  83          2HB       LEU  83  12.816  -0.377   2.561
  673    HG   LEU  83           HG       LEU  83  13.965   1.777   2.196
  674   1HD1  LEU  83          1HD1      LEU  83  13.274   3.231   0.365
  675   2HD1  LEU  83          2HD1      LEU  83  12.248   1.948  -0.279
  676   3HD1  LEU  83          3HD1      LEU  83  14.002   1.745  -0.253
  677   1HD2  LEU  83          1HD2      LEU  83  11.992   3.203   2.479
  678   2HD2  LEU  83          2HD2      LEU  83  11.864   1.719   3.424
  679   3HD2  LEU  83          3HD2      LEU  83  10.963   1.884   1.917
  680    H    ALA  84           H        ALA  84  15.750   1.168   0.879
  681    HA   ALA  84           HA       ALA  84  18.099   0.107   1.730
  682   1HB   ALA  84          1HB       ALA  84  18.776   2.334   2.386
  683   2HB   ALA  84          2HB       ALA  84  17.092   2.850   2.459
  684   3HB   ALA  84          3HB       ALA  84  17.810   2.402   0.913
  685    H    THR  85           H        THR  85  18.646  -1.015   3.433
  686    HA   THR  85           HA       THR  85  17.052  -1.159   5.781
  687    HB   THR  85           HB       THR  85  19.053  -2.579   6.575
  688    HG1  THR  85           HG1      THR  85  20.748  -2.415   5.320
  689   1HG2  THR  85          1HG2      THR  85  18.368  -4.471   5.199
  690   2HG2  THR  85          2HG2      THR  85  17.612  -3.375   4.044
  691   3HG2  THR  85          3HG2      THR  85  16.963  -3.521   5.677
  692    H    ASP  86           H        ASP  86  19.946   0.554   4.888
  693    HA   ASP  86           HA       ASP  86  20.586   1.245   7.631
  694   1HB   ASP  86          1HB       ASP  86  21.932   1.772   4.986
  695   2HB   ASP  86          2HB       ASP  86  22.507   2.446   6.502
  696    H    HIS  87           H        HIS  87  18.154   2.273   6.173
  697    HA   HIS  87           HA       HIS  87  18.704   5.132   6.624
  698   1HB   HIS  87          1HB       HIS  87  18.266   4.408   4.191
  699   2HB   HIS  87          2HB       HIS  87  16.605   4.131   4.702
  700    HD1  HIS  87           HD1      HIS  87  19.117   6.886   4.204
  701    HD2  HIS  87           HD2      HIS  87  15.052   6.419   4.964
  702    HE1  HIS  87           HE1      HIS  87  18.103   9.169   3.908
  703    HE2  HIS  87           HE2      HIS  87  15.624   8.824   4.178
  704    HA   PRO  88           HA       PRO  88  15.890   3.629   9.955
  705   1HB   PRO  88          1HB       PRO  88  16.618   6.388  10.832
  706   2HB   PRO  88          2HB       PRO  88  16.532   4.892  11.770
  707   1HG   PRO  88          1HG       PRO  88  18.883   5.845  11.027
  708   2HG   PRO  88          2HG       PRO  88  18.558   4.102  10.943
  709   1HD   PRO  88          1HD       PRO  88  18.662   6.119   8.744
  710   2HD   PRO  88          2HD       PRO  88  19.198   4.428   8.750
  711    H    GLN  89           H        GLN  89  15.712   6.637   8.107
  712    HA   GLN  89           HA       GLN  89  13.176   7.464   9.055
  713   1HB   GLN  89          1HB       GLN  89  14.564   8.035   6.437
  714   2HB   GLN  89          2HB       GLN  89  13.064   8.801   6.938
  715   1HG   GLN  89          1HG       GLN  89  14.236   9.710   8.915
  716   2HG   GLN  89          2HG       GLN  89  15.738   9.014   8.303
  717   1HE2  GLN  89          1HE2      GLN  89  15.087  11.804   8.790
  718   2HE2  GLN  89          2HE2      GLN  89  15.253  12.623   7.268
  719    H    ARG  90           H        ARG  90  13.991   4.783   7.209
  720    HA   ARG  90           HA       ARG  90  11.740   4.632   5.476
  721   1HB   ARG  90          1HB       ARG  90  12.383   2.377   5.071
  722   2HB   ARG  90          2HB       ARG  90  13.873   3.289   5.270
  723   1HG   ARG  90          1HG       ARG  90  14.104   2.468   7.540
  724   2HG   ARG  90          2HG       ARG  90  12.572   1.602   7.401
  725   1HD   ARG  90          1HD       ARG  90  13.550   0.307   5.519
  726   2HD   ARG  90          2HD       ARG  90  15.093   1.102   5.830
  727    HE   ARG  90           HE       ARG  90  14.454   0.048   8.240
  728   1HH1  ARG  90          1HH1      ARG  90  14.672  -1.278   5.016
  729   2HH1  ARG  90          2HH1      ARG  90  15.035  -2.887   5.554
  730   1HH2  ARG  90          1HH2      ARG  90  14.972  -2.035   8.969
  731   2HH2  ARG  90          2HH2      ARG  90  15.232  -3.322   7.825
  732    H    ALA  91           H        ALA  91  12.166   4.152   8.840
  733    HA   ALA  91           HA       ALA  91  10.282   2.198   9.447
  734   1HB   ALA  91          1HB       ALA  91  10.217   3.169  11.684
  735   2HB   ALA  91          2HB       ALA  91  11.004   4.629  11.083
  736   3HB   ALA  91          3HB       ALA  91  11.873   3.094  11.079
  737    H    LEU  92           H        LEU  92   9.870   5.608   8.740
  738    HA   LEU  92           HA       LEU  92   7.194   5.871   9.595
  739   1HB   LEU  92          1HB       LEU  92   8.596   7.363   7.375
  740   2HB   LEU  92          2HB       LEU  92   7.155   7.884   8.228
  741    HG   LEU  92           HG       LEU  92   9.901   7.572   9.448
  742   1HD1  LEU  92          1HD1      LEU  92   9.777   9.474   7.941
  743   2HD1  LEU  92          2HD1      LEU  92   9.849  10.013   9.618
  744   3HD1  LEU  92          3HD1      LEU  92   8.315  10.038   8.750
  745   1HD2  LEU  92          1HD2      LEU  92   8.921   8.611  11.420
  746   2HD2  LEU  92          2HD2      LEU  92   8.113   7.091  11.040
  747   3HD2  LEU  92          3HD2      LEU  92   7.341   8.625  10.641
  748    H    ILE  93           H        ILE  93   8.652   4.860   6.561
  749    HA   ILE  93           HA       ILE  93   6.180   4.743   5.119
  750    HB   ILE  93           HB       ILE  93   8.848   3.472   4.456
  751   1HG1  ILE  93          1HG1      ILE  93   7.656   6.097   3.523
  752   2HG1  ILE  93          2HG1      ILE  93   8.961   5.934   4.693
  753   1HG2  ILE  93          1HG2      ILE  93   8.005   3.381   2.164
  754   2HG2  ILE  93          2HG2      ILE  93   6.460   4.038   2.700
  755   3HG2  ILE  93          3HG2      ILE  93   6.982   2.449   3.259
  756   1HD1  ILE  93          1HD1      ILE  93   9.807   6.531   2.499
  757   2HD1  ILE  93          2HD1      ILE  93   9.065   5.089   1.806
  758   3HD1  ILE  93          3HD1      ILE  93  10.373   4.932   2.978
  759    H    LEU  94           H        LEU  94   8.337   2.392   6.668
  760    HA   LEU  94           HA       LEU  94   6.873   0.090   5.980
  761   1HB   LEU  94          1HB       LEU  94   8.677   0.594   8.347
  762   2HB   LEU  94          2HB       LEU  94   8.074  -0.983   7.873
  763    HG   LEU  94           HG       LEU  94   9.899   0.773   6.225
  764   1HD1  LEU  94          1HD1      LEU  94  10.438  -1.806   7.693
  765   2HD1  LEU  94          2HD1      LEU  94  10.999  -0.207   8.175
  766   3HD1  LEU  94          3HD1      LEU  94  11.584  -0.930   6.676
  767   1HD2  LEU  94          1HD2      LEU  94   8.889  -2.022   5.700
  768   2HD2  LEU  94          2HD2      LEU  94  10.050  -1.130   4.716
  769   3HD2  LEU  94          3HD2      LEU  94   8.384  -0.564   4.841
  770    H    ALA  95           H        ALA  95   6.655   2.276   8.755
  771    HA   ALA  95           HA       ALA  95   4.769   0.831  10.242
  772   1HB   ALA  95          1HB       ALA  95   6.011   2.762  11.125
  773   2HB   ALA  95          2HB       ALA  95   4.272   2.922  11.367
  774   3HB   ALA  95          3HB       ALA  95   5.071   3.829  10.082
  775    H    GLU  96           H        GLU  96   4.329   3.324   7.750
  776    HA   GLU  96           HA       GLU  96   1.514   3.357   7.801
  777   1HB   GLU  96          1HB       GLU  96   3.113   5.006   6.664
  778   2HB   GLU  96          2HB       GLU  96   3.208   3.844   5.351
  779   1HG   GLU  96          1HG       GLU  96   1.601   5.348   4.635
  780   2HG   GLU  96          2HG       GLU  96   0.658   4.004   5.274
  781    H    LEU  97           H        LEU  97   3.844   1.386   6.015
  782    HA   LEU  97           HA       LEU  97   1.997  -0.006   4.398
  783   1HB   LEU  97          1HB       LEU  97   4.719  -0.826   5.407
  784   2HB   LEU  97          2HB       LEU  97   3.808  -1.717   4.204
  785    HG   LEU  97           HG       LEU  97   4.811   1.114   3.890
  786   1HD1  LEU  97          1HD1      LEU  97   6.374   0.153   2.285
  787   2HD1  LEU  97          2HD1      LEU  97   5.770  -1.462   2.652
  788   3HD1  LEU  97          3HD1      LEU  97   6.612  -0.534   3.891
  789   1HD2  LEU  97          1HD2      LEU  97   4.118   0.858   1.556
  790   2HD2  LEU  97          2HD2      LEU  97   2.745   0.721   2.655
  791   3HD2  LEU  97          3HD2      LEU  97   3.444  -0.728   1.929
  792    H    GLU  98           H        GLU  98   3.498  -0.904   7.512
  793    HA   GLU  98           HA       GLU  98   2.186  -3.350   7.868
  794   1HB   GLU  98          1HB       GLU  98   3.194  -1.334   9.874
  795   2HB   GLU  98          2HB       GLU  98   2.556  -2.903  10.339
  796   1HG   GLU  98          1HG       GLU  98   4.295  -4.015   9.088
  797   2HG   GLU  98          2HG       GLU  98   4.904  -2.464   8.516
  798    H    LYS  99           H        LYS  99   1.210  -0.079   8.634
  799    HA   LYS  99           HA       LYS  99  -1.160  -0.639  10.024
  800   1HB   LYS  99          1HB       LYS  99  -0.087   1.542  10.022
  801   2HB   LYS  99          2HB       LYS  99  -0.371   1.712   8.300
  802   1HG   LYS  99          1HG       LYS  99  -2.692   2.004   8.615
  803   2HG   LYS  99          2HG       LYS  99  -2.599   1.477  10.298
  804   1HD   LYS  99          1HD       LYS  99  -2.791   3.963   9.977
  805   2HD   LYS  99          2HD       LYS  99  -1.404   3.438  10.932
  806   1HE   LYS  99          1HE       LYS  99  -0.020   3.585   8.864
  807   2HE   LYS  99          2HE       LYS  99  -1.412   4.286   8.041
  808   1HZ   LYS  99          1HZ       LYS  99  -0.014   5.436  10.402
  809   2HZ   LYS  99          2HZ       LYS  99  -1.382   6.105   9.654
  810   3HZ   LYS  99          3HZ       LYS  99   0.086   6.002   8.803
  811    H    LEU 100           H        LEU 100  -0.453  -0.343   6.589
  812    HA   LEU 100           HA       LEU 100  -3.136  -0.631   5.680
  813   1HB   LEU 100          1HB       LEU 100  -1.422   0.346   4.264
  814   2HB   LEU 100          2HB       LEU 100  -0.489  -1.136   4.315
  815    HG   LEU 100           HG       LEU 100  -2.290  -2.290   3.067
  816   1HD1  LEU 100          1HD1      LEU 100  -4.174  -0.926   3.771
  817   2HD1  LEU 100          2HD1      LEU 100  -4.052  -0.961   2.011
  818   3HD1  LEU 100          3HD1      LEU 100  -3.512   0.460   2.907
  819   1HD2  LEU 100          1HD2      LEU 100  -1.879  -1.179   0.912
  820   2HD2  LEU 100          2HD2      LEU 100  -0.402  -1.361   1.862
  821   3HD2  LEU 100          3HD2      LEU 100  -1.204   0.207   1.770
  822    H    ASP 101           H        ASP 101  -0.406  -2.896   5.952
  823    HA   ASP 101           HA       ASP 101  -1.640  -5.215   5.064
  824   1HB   ASP 101          1HB       ASP 101   0.452  -4.895   7.228
  825   2HB   ASP 101          2HB       ASP 101  -0.012  -6.441   6.532
  826    H    ALA 102           H        ALA 102  -1.682  -3.746   8.266
  827    HA   ALA 102           HA       ALA 102  -3.059  -5.804   9.608
  828   1HB   ALA 102          1HB       ALA 102  -3.533  -4.132  11.316
  829   2HB   ALA 102          2HB       ALA 102  -3.054  -2.850  10.206
  830   3HB   ALA 102          3HB       ALA 102  -1.859  -4.016  10.771
  831    H    LEU 103           H        LEU 103  -4.163  -3.113   7.640
  832    HA   LEU 103           HA       LEU 103  -6.893  -3.197   8.363
  833   1HB   LEU 103          1HB       LEU 103  -5.575  -2.273   5.812
  834   2HB   LEU 103          2HB       LEU 103  -7.265  -2.020   6.197
  835    HG   LEU 103           HG       LEU 103  -4.956  -0.916   7.798
  836   1HD1  LEU 103          1HD1      LEU 103  -5.555   1.233   6.825
  837   2HD1  LEU 103          2HD1      LEU 103  -6.793   0.454   5.840
  838   3HD1  LEU 103          3HD1      LEU 103  -5.090   0.083   5.570
  839   1HD2  LEU 103          1HD2      LEU 103  -6.676   0.438   8.887
  840   2HD2  LEU 103          2HD2      LEU 103  -6.964  -1.284   9.132
  841   3HD2  LEU 103          3HD2      LEU 103  -7.921  -0.390   7.952
  842    H    PHE 104           H        PHE 104  -5.005  -4.922   5.932
  843    HA   PHE 104           HA       PHE 104  -7.106  -6.138   4.538
  844   1HB   PHE 104          1HB       PHE 104  -4.293  -7.077   5.091
  845   2HB   PHE 104          2HB       PHE 104  -5.410  -7.983   4.074
  846    HD1  PHE 104           HD2      PHE 104  -6.180  -7.057   1.942
  847    HD2  PHE 104           HD1      PHE 104  -3.272  -5.053   4.317
  848    HE1  PHE 104           HE2      PHE 104  -5.576  -5.653   0.013
  849    HE2  PHE 104           HE1      PHE 104  -2.668  -3.643   2.395
  850    HZ   PHE 104           HZ       PHE 104  -3.822  -3.940   0.240
  851    H    ALA 105           H        ALA 105  -5.719  -6.915   7.649
  852    HA   ALA 105           HA       ALA 105  -7.406  -9.312   7.820
  853   1HB   ALA 105          1HB       ALA 105  -5.195  -8.377   9.643
  854   2HB   ALA 105          2HB       ALA 105  -5.055  -9.614   8.394
  855   3HB   ALA 105          3HB       ALA 105  -6.091  -9.887   9.795
  856    H    ASP 106           H        ASP 106  -7.712  -6.135   8.400
  857    HA   ASP 106           HA       ASP 106  -8.970  -6.318  11.021
  858   1HB   ASP 106          1HB       ASP 106  -7.543  -4.363  10.476
  859   2HB   ASP 106          2HB       ASP 106  -8.666  -3.924   9.192
  860    H    ASP 107           H        ASP 107  -9.800  -6.083   7.659
  861    HA   ASP 107           HA       ASP 107 -12.603  -5.582   8.098
  862   1HB   ASP 107          1HB       ASP 107 -11.185  -5.081   5.971
  863   2HB   ASP 107          2HB       ASP 107 -11.439  -6.779   5.584
  864    H    ALA 108           H        ALA 108 -13.894  -7.468   6.541
  865    HA   ALA 108           HA       ALA 108 -13.670  -9.789   8.327
  866   1HB   ALA 108          1HB       ALA 108 -15.963 -10.308   7.666
  867   2HB   ALA 108          2HB       ALA 108 -15.952  -8.948   6.543
  868   3HB   ALA 108          3HB       ALA 108 -15.836  -8.657   8.278
  869    H    SER 109           H        SER 109 -12.087 -11.024   7.368
  870    HA   SER 109           HA       SER 109 -12.523 -11.802   4.569
  871   1HB   SER 109          1HB       SER 109 -10.296 -10.821   5.174
  872   2HB   SER 109          2HB       SER 109 -10.034 -12.192   6.252
  873    HG   SER 109           HG       SER 109  -9.795 -12.025   3.537
  874    H    LEU 110           H        LEU 110 -12.701 -13.946   4.002
  875    HA   LEU 110           HA       LEU 110 -13.818 -15.666   5.976
  876   1HB   LEU 110          1HB       LEU 110 -14.495 -15.624   3.574
  877   2HB   LEU 110          2HB       LEU 110 -12.954 -16.354   3.163
  878    HG   LEU 110           HG       LEU 110 -13.578 -18.328   4.566
  879   1HD1  LEU 110          1HD1      LEU 110 -15.190 -17.207   6.022
  880   2HD1  LEU 110          2HD1      LEU 110 -15.903 -18.607   5.224
  881   3HD1  LEU 110          3HD1      LEU 110 -16.274 -16.981   4.649
  882   1HD2  LEU 110          1HD2      LEU 110 -15.179 -19.251   2.952
  883   2HD2  LEU 110          2HD2      LEU 110 -13.871 -18.376   2.152
  884   3HD2  LEU 110          3HD2      LEU 110 -15.460 -17.629   2.316
  885    H    GLU 111           H        GLU 111 -10.661 -15.096   4.828
  886    HA   GLU 111           HA       GLU 111  -9.483 -17.622   5.247
  887   1HB   GLU 111          1HB       GLU 111  -8.278 -14.853   5.326
  888   2HB   GLU 111          2HB       GLU 111  -7.347 -16.346   5.319
  889   1HG   GLU 111          1HG       GLU 111  -8.211 -16.926   3.147
  890   2HG   GLU 111          2HG       GLU 111  -9.261 -15.511   3.155
  891    H    HIS 112           H        HIS 112 -10.469 -15.140   7.423
  892    HA   HIS 112           HA       HIS 112  -8.830 -16.025   9.620
  893   1HB   HIS 112          1HB       HIS 112  -9.543 -13.693   9.492
  894   2HB   HIS 112          2HB       HIS 112 -11.231 -14.182   9.534
  895    HD1  HIS 112           HD1      HIS 112 -12.214 -13.695  11.733
  896    HD2  HIS 112           HD2      HIS 112  -8.226 -14.836  12.065
  897    HE1  HIS 112           HE1      HIS 112 -11.703 -13.667  14.197
  898    HE2  HIS 112           HE2      HIS 112  -9.292 -14.384  14.385
  899    H    HIS 113           H        HIS 113 -11.615 -17.149   8.134
  900    HA   HIS 113           HA       HIS 113 -13.130 -18.761   8.581
  901   1HB   HIS 113          1HB       HIS 113 -11.344 -19.392  10.941
  902   2HB   HIS 113          2HB       HIS 113 -12.688 -20.389  10.404
  903    HD1  HIS 113           HD1      HIS 113  -9.809 -21.491  10.514
  904    HD2  HIS 113           HD2      HIS 113 -11.588 -19.856   7.126
  905    HE1  HIS 113           HE1      HIS 113  -8.541 -22.437   8.554
  906    HE2  HIS 113           HE2      HIS 113  -9.562 -21.343   6.518
  907    H    HIS 114           H        HIS 114 -14.874 -17.524   8.945
  908    HA   HIS 114           HA       HIS 114 -15.911 -17.452  11.620
  909   1HB   HIS 114          1HB       HIS 114 -16.155 -15.110  11.909
  910   2HB   HIS 114          2HB       HIS 114 -14.480 -15.331  11.421
  911    HD1  HIS 114           HD1      HIS 114 -17.189 -13.158  10.817
  912    HD2  HIS 114           HD2      HIS 114 -14.356 -14.975   8.366
  913    HE1  HIS 114           HE1      HIS 114 -17.166 -11.816   8.692
  914    HE2  HIS 114           HE2      HIS 114 -15.612 -13.069   7.149
  915    H    HIS 115           H        HIS 115 -18.203 -16.861  11.601
  916    HA   HIS 115           HA       HIS 115 -19.363 -16.863   8.894
  917   1HB   HIS 115          1HB       HIS 115 -20.400 -18.429  11.272
  918   2HB   HIS 115          2HB       HIS 115 -21.148 -18.358   9.680
  919    HD1  HIS 115           HD1      HIS 115 -18.468 -20.026  11.608
  920    HD2  HIS 115           HD2      HIS 115 -19.752 -19.804   7.658
  921    HE1  HIS 115           HE1      HIS 115 -17.311 -21.918  10.409
  922    HE2  HIS 115           HE2      HIS 115 -18.158 -21.808   8.033
  923    H    HIS 116           H        HIS 116 -21.491 -15.931   8.755
  924    HA   HIS 116           HA       HIS 116 -21.886 -13.717  10.563
  925   1HB   HIS 116          1HB       HIS 116 -23.491 -14.760   8.220
  926   2HB   HIS 116          2HB       HIS 116 -23.982 -13.365   9.172
  927    HD1  HIS 116           HD1      HIS 116 -22.386 -11.260   9.065
  928    HD2  HIS 116           HD2      HIS 116 -21.598 -14.248   6.281
  929    HE1  HIS 116           HE1      HIS 116 -20.913 -10.194   7.326
  930    HE2  HIS 116           HE2      HIS 116 -20.622 -11.959   5.550
  931    H    HIS 117           H        HIS 117 -23.291 -16.836   9.909
  932    HA   HIS 117           HA       HIS 117 -24.116 -17.068  12.637
  933   1HB   HIS 117          1HB       HIS 117 -26.101 -15.948  11.615
  934   2HB   HIS 117          2HB       HIS 117 -26.242 -17.291  10.484
  935    HD1  HIS 117           HD1      HIS 117 -27.003 -16.274  13.962
  936    HD2  HIS 117           HD2      HIS 117 -27.096 -19.744  11.668
  937    HE1  HIS 117           HE1      HIS 117 -28.340 -17.938  15.298
  938    HE2  HIS 117           HE2      HIS 117 -28.248 -20.076  13.956
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1 -19.316   4.963   3.865
    2   2H    MET   1          2H        MET   1 -19.892   3.996   5.131
    3   3H    MET   1          3H        MET   1 -19.445   3.287   3.659
    4    HA   MET   1           HA       MET   1 -17.153   3.995   4.012
    5   1HB   MET   1          1HB       MET   1 -18.303   4.911   6.648
    6   2HB   MET   1          2HB       MET   1 -16.584   4.651   6.391
    7   1HG   MET   1          1HG       MET   1 -18.298   6.578   4.844
    8   2HG   MET   1          2HG       MET   1 -17.236   7.004   6.186
    9   1HE   MET   1          1HE       MET   1 -13.694   6.254   4.749
   10   2HE   MET   1          2HE       MET   1 -14.706   5.190   5.726
   11   3HE   MET   1          3HE       MET   1 -14.617   6.911   6.101
   12    H    THR   2           H        THR   2 -16.444   1.991   3.891
   13    HA   THR   2           HA       THR   2 -17.047   0.151   6.124
   14    HB   THR   2           HB       THR   2 -16.540  -1.699   4.556
   15    HG1  THR   2           HG1      THR   2 -16.314   0.441   2.669
   16   1HG2  THR   2          1HG2      THR   2 -18.693   0.177   3.575
   17   2HG2  THR   2          2HG2      THR   2 -18.862  -1.025   4.853
   18   3HG2  THR   2          3HG2      THR   2 -18.579  -1.540   3.190
   19    H    THR   3           H        THR   3 -15.177  -1.633   6.134
   20    HA   THR   3           HA       THR   3 -12.757  -0.428   6.868
   21    HB   THR   3           HB       THR   3 -13.206  -3.277   5.950
   22    HG1  THR   3           HG1      THR   3 -13.077  -3.213   8.549
   23   1HG2  THR   3          1HG2      THR   3 -10.842  -2.712   6.049
   24   2HG2  THR   3          2HG2      THR   3 -11.269  -3.798   7.372
   25   3HG2  THR   3          3HG2      THR   3 -11.045  -2.076   7.683
   26    H    HIS   4           H        HIS   4 -13.945  -1.638   3.814
   27    HA   HIS   4           HA       HIS   4 -11.521  -1.733   2.381
   28   1HB   HIS   4          1HB       HIS   4 -14.291  -1.114   1.322
   29   2HB   HIS   4          2HB       HIS   4 -12.912  -1.640   0.363
   30    HD1  HIS   4           HD1      HIS   4 -15.828  -2.918   2.016
   31    HD2  HIS   4           HD2      HIS   4 -12.009  -4.352   1.235
   32    HE1  HIS   4           HE1      HIS   4 -15.974  -5.414   2.282
   33    HE2  HIS   4           HE2      HIS   4 -13.587  -6.206   2.109
   34    H    ASP   5           H        ASP   5 -13.803   0.862   3.022
   35    HA   ASP   5           HA       ASP   5 -12.635   2.782   1.304
   36   1HB   ASP   5          1HB       ASP   5 -14.323   3.138   3.787
   37   2HB   ASP   5          2HB       ASP   5 -13.884   4.442   2.686
   38    H    ARG   6           H        ARG   6 -12.119   1.892   4.659
   39    HA   ARG   6           HA       ARG   6 -10.364   3.970   5.370
   40   1HB   ARG   6          1HB       ARG   6 -10.336   1.124   6.396
   41   2HB   ARG   6          2HB       ARG   6  -9.687   2.541   7.211
   42   1HG   ARG   6          1HG       ARG   6 -11.905   3.457   7.472
   43   2HG   ARG   6          2HG       ARG   6 -12.594   2.119   6.554
   44   1HD   ARG   6          1HD       ARG   6 -11.684   0.570   8.297
   45   2HD   ARG   6          2HD       ARG   6 -11.238   1.990   9.242
   46    HE   ARG   6           HE       ARG   6 -13.986   2.055   8.489
   47   1HH1  ARG   6          1HH1      ARG   6 -11.746   0.632  10.773
   48   2HH1  ARG   6          2HH1      ARG   6 -12.955   0.355  11.983
   49   1HH2  ARG   6          1HH2      ARG   6 -15.591   1.628  10.030
   50   2HH2  ARG   6          2HH2      ARG   6 -15.160   0.913  11.560
   51    H    VAL   7           H        VAL   7  -9.873   0.886   3.765
   52    HA   VAL   7           HA       VAL   7  -7.035   0.993   3.666
   53    HB   VAL   7           HB       VAL   7  -8.914  -0.435   1.771
   54   1HG1  VAL   7          1HG1      VAL   7  -7.007  -1.927   1.368
   55   2HG1  VAL   7          2HG1      VAL   7  -6.000  -0.905   2.394
   56   3HG1  VAL   7          3HG1      VAL   7  -6.659  -0.267   0.887
   57   1HG2  VAL   7          1HG2      VAL   7  -7.633  -1.406   4.319
   58   2HG2  VAL   7          2HG2      VAL   7  -8.568  -2.395   3.197
   59   3HG2  VAL   7          3HG2      VAL   7  -9.348  -1.078   4.072
   60    H    ARG   8           H        ARG   8  -9.603   2.009   1.452
   61    HA   ARG   8           HA       ARG   8  -8.009   2.868  -0.678
   62   1HB   ARG   8          1HB       ARG   8 -10.375   2.665  -0.981
   63   2HB   ARG   8          2HB       ARG   8 -10.701   3.817   0.308
   64   1HG   ARG   8          1HG       ARG   8  -9.879   5.629  -1.010
   65   2HG   ARG   8          2HG       ARG   8  -9.292   4.525  -2.252
   66   1HD   ARG   8          1HD       ARG   8 -11.429   5.680  -2.821
   67   2HD   ARG   8          2HD       ARG   8 -11.513   3.921  -2.873
   68    HE   ARG   8           HE       ARG   8 -12.948   3.944  -1.054
   69   1HH1  ARG   8          1HH1      ARG   8 -11.707   7.155  -1.654
   70   2HH1  ARG   8          2HH1      ARG   8 -12.915   7.949  -0.693
   71   1HH2  ARG   8          1HH2      ARG   8 -14.549   4.966   0.230
   72   2HH2  ARG   8          2HH2      ARG   8 -14.521   6.703   0.396
   73    H    LEU   9           H        LEU   9  -9.154   4.618   2.181
   74    HA   LEU   9           HA       LEU   9  -7.909   7.081   1.601
   75   1HB   LEU   9          1HB       LEU   9  -8.535   5.867   4.297
   76   2HB   LEU   9          2HB       LEU   9  -8.187   7.559   3.994
   77    HG   LEU   9           HG       LEU   9 -10.582   6.056   2.932
   78   1HD1  LEU   9          1HD1      LEU   9 -10.343   8.088   5.146
   79   2HD1  LEU   9          2HD1      LEU   9 -10.738   6.378   5.326
   80   3HD1  LEU   9          3HD1      LEU   9 -11.857   7.459   4.495
   81   1HD2  LEU   9          1HD2      LEU   9 -11.378   8.247   2.222
   82   2HD2  LEU   9          2HD2      LEU   9  -9.848   7.850   1.442
   83   3HD2  LEU   9          3HD2      LEU   9  -9.880   8.987   2.789
   84    H    GLN  10           H        GLN  10  -6.764   4.146   3.145
   85    HA   GLN  10           HA       GLN  10  -4.325   5.225   4.128
   86   1HB   GLN  10          1HB       GLN  10  -5.391   3.152   4.990
   87   2HB   GLN  10          2HB       GLN  10  -4.984   2.347   3.482
   88   1HG   GLN  10          1HG       GLN  10  -3.432   1.802   5.292
   89   2HG   GLN  10          2HG       GLN  10  -2.631   2.597   3.937
   90   1HE2  GLN  10          1HE2      GLN  10  -0.922   3.239   5.228
   91   2HE2  GLN  10          2HE2      GLN  10  -1.056   4.528   6.380
   92    H    LEU  11           H        LEU  11  -5.277   3.691   1.107
   93    HA   LEU  11           HA       LEU  11  -2.726   3.497  -0.064
   94   1HB   LEU  11          1HB       LEU  11  -5.398   4.045  -1.365
   95   2HB   LEU  11          2HB       LEU  11  -3.939   3.612  -2.233
   96    HG   LEU  11           HG       LEU  11  -5.370   1.858  -0.236
   97   1HD1  LEU  11          1HD1      LEU  11  -6.633   2.141  -2.297
   98   2HD1  LEU  11          2HD1      LEU  11  -5.968   0.513  -2.181
   99   3HD1  LEU  11          3HD1      LEU  11  -5.210   1.702  -3.240
  100   1HD2  LEU  11          1HD2      LEU  11  -3.835   0.115  -1.017
  101   2HD2  LEU  11          2HD2      LEU  11  -2.973   1.449  -0.253
  102   3HD2  LEU  11          3HD2      LEU  11  -2.995   1.305  -2.011
  103    H    GLN  12           H        GLN  12  -5.043   6.130   0.169
  104    HA   GLN  12           HA       GLN  12  -3.513   7.951  -1.419
  105   1HB   GLN  12          1HB       GLN  12  -5.746   8.502   0.545
  106   2HB   GLN  12          2HB       GLN  12  -5.118   9.635  -0.646
  107   1HG   GLN  12          1HG       GLN  12  -5.836   8.139  -2.444
  108   2HG   GLN  12          2HG       GLN  12  -6.486   7.023  -1.243
  109   1HE2  GLN  12          1HE2      GLN  12  -6.894  10.055  -2.862
  110   2HE2  GLN  12          2HE2      GLN  12  -8.517  10.350  -2.331
  111    H    ALA  13           H        ALA  13  -3.367   6.884   1.827
  112    HA   ALA  13           HA       ALA  13  -1.873   9.108   2.847
  113   1HB   ALA  13          1HB       ALA  13  -3.070   7.616   4.361
  114   2HB   ALA  13          2HB       ALA  13  -1.344   7.624   4.726
  115   3HB   ALA  13          3HB       ALA  13  -2.054   6.266   3.852
  116    H    LEU  14           H        LEU  14  -1.087   5.925   1.505
  117    HA   LEU  14           HA       LEU  14   1.720   6.164   1.553
  118   1HB   LEU  14          1HB       LEU  14  -0.058   4.726  -0.427
  119   2HB   LEU  14          2HB       LEU  14   1.677   4.507  -0.297
  120    HG   LEU  14           HG       LEU  14  -0.248   3.895   1.944
  121   1HD1  LEU  14          1HD1      LEU  14   0.990   2.030  -0.078
  122   2HD1  LEU  14          2HD1      LEU  14  -0.719   2.451   0.035
  123   3HD1  LEU  14          3HD1      LEU  14   0.055   1.543   1.335
  124   1HD2  LEU  14          1HD2      LEU  14   2.644   3.170   1.490
  125   2HD2  LEU  14          2HD2      LEU  14   1.651   2.647   2.850
  126   3HD2  LEU  14          3HD2      LEU  14   2.040   4.354   2.647
  127    H    GLU  15           H        GLU  15  -0.710   7.068  -0.819
  128    HA   GLU  15           HA       GLU  15   0.849   8.131  -2.844
  129   1HB   GLU  15          1HB       GLU  15  -1.575   7.803  -2.970
  130   2HB   GLU  15          2HB       GLU  15  -1.822   9.069  -1.780
  131   1HG   GLU  15          1HG       GLU  15  -0.919  10.710  -3.342
  132   2HG   GLU  15          2HG       GLU  15  -0.685   9.434  -4.541
  133    H    ALA  16           H        ALA  16  -0.450   9.768   0.039
  134    HA   ALA  16           HA       ALA  16   0.673  12.292  -0.430
  135   1HB   ALA  16          1HB       ALA  16  -1.081  11.872   1.240
  136   2HB   ALA  16          2HB       ALA  16   0.299  12.727   1.933
  137   3HB   ALA  16          3HB       ALA  16   0.087  11.002   2.235
  138    H    LEU  17           H        LEU  17   1.958   9.457   1.255
  139    HA   LEU  17           HA       LEU  17   4.336  10.641   2.196
  140   1HB   LEU  17          1HB       LEU  17   3.404   8.430   2.918
  141   2HB   LEU  17          2HB       LEU  17   3.938   7.761   1.387
  142    HG   LEU  17           HG       LEU  17   6.276   8.700   2.147
  143   1HD1  LEU  17          1HD1      LEU  17   5.436   9.823   4.139
  144   2HD1  LEU  17          2HD1      LEU  17   6.597   8.564   4.552
  145   3HD1  LEU  17          3HD1      LEU  17   4.872   8.280   4.777
  146   1HD2  LEU  17          1HD2      LEU  17   6.752   6.527   3.187
  147   2HD2  LEU  17          2HD2      LEU  17   5.829   6.377   1.696
  148   3HD2  LEU  17          3HD2      LEU  17   5.022   6.194   3.252
  149    H    LEU  18           H        LEU  18   3.518   9.007  -0.821
  150    HA   LEU  18           HA       LEU  18   6.196   9.180  -1.857
  151   1HB   LEU  18          1HB       LEU  18   3.585   8.414  -3.158
  152   2HB   LEU  18          2HB       LEU  18   5.142   8.349  -3.960
  153    HG   LEU  18           HG       LEU  18   4.363   6.740  -1.529
  154   1HD1  LEU  18          1HD1      LEU  18   4.466   4.832  -3.067
  155   2HD1  LEU  18          2HD1      LEU  18   4.729   5.941  -4.412
  156   3HD1  LEU  18          3HD1      LEU  18   3.209   5.982  -3.519
  157   1HD2  LEU  18          1HD2      LEU  18   6.736   7.275  -1.538
  158   2HD2  LEU  18          2HD2      LEU  18   6.874   6.706  -3.202
  159   3HD2  LEU  18          3HD2      LEU  18   6.483   5.570  -1.911
  160    H    ARG  19           H        ARG  19   3.729  11.404  -1.505
  161    HA   ARG  19           HA       ARG  19   4.757  13.058  -3.682
  162   1HB   ARG  19          1HB       ARG  19   2.312  13.093  -3.076
  163   2HB   ARG  19          2HB       ARG  19   2.764  13.836  -1.546
  164   1HG   ARG  19          1HG       ARG  19   3.816  15.687  -2.824
  165   2HG   ARG  19          2HG       ARG  19   3.175  14.968  -4.302
  166   1HD   ARG  19          1HD       ARG  19   1.678  16.693  -3.625
  167   2HD   ARG  19          2HD       ARG  19   0.894  15.145  -3.307
  168    HE   ARG  19           HE       ARG  19   2.295  16.075  -1.013
  169   1HH1  ARG  19          1HH1      ARG  19  -0.625  16.610  -2.874
  170   2HH1  ARG  19          2HH1      ARG  19  -1.531  17.202  -1.511
  171   1HH2  ARG  19          1HH2      ARG  19   1.139  16.861   0.762
  172   2HH2  ARG  19          2HH2      ARG  19  -0.514  17.369   0.569
  173    H    GLU  20           H        GLU  20   4.651  12.905  -0.156
  174    HA   GLU  20           HA       GLU  20   6.205  15.132   0.468
  175   1HB   GLU  20          1HB       GLU  20   5.967  12.453   1.832
  176   2HB   GLU  20          2HB       GLU  20   6.891  13.784   2.505
  177   1HG   GLU  20          1HG       GLU  20   4.835  15.143   2.547
  178   2HG   GLU  20          2HG       GLU  20   3.932  13.740   1.974
  179    H    HIS  21           H        HIS  21   7.300  11.746   0.236
  180    HA   HIS  21           HA       HIS  21  10.058  12.702   0.061
  181   1HB   HIS  21          1HB       HIS  21   8.998   9.876   0.312
  182   2HB   HIS  21          2HB       HIS  21  10.689  10.357   0.409
  183    HD1  HIS  21           HD1      HIS  21  11.426  11.666   2.561
  184    HD2  HIS  21           HD2      HIS  21   7.520  10.246   2.622
  185    HE1  HIS  21           HE1      HIS  21  10.679  11.840   4.957
  186    HE2  HIS  21           HE2      HIS  21   8.233  11.223   4.909
  187    H    GLN  22           H        GLN  22   7.677  12.306  -2.024
  188    HA   GLN  22           HA       GLN  22   7.443  11.954  -4.233
  189   1HB   GLN  22          1HB       GLN  22  10.424  12.464  -4.234
  190   2HB   GLN  22          2HB       GLN  22   9.379  12.521  -5.650
  191   1HG   GLN  22          1HG       GLN  22   8.082  14.328  -4.584
  192   2HG   GLN  22          2HG       GLN  22   9.218  14.310  -3.237
  193   1HE2  GLN  22          1HE2      GLN  22   8.542  16.446  -5.080
  194   2HE2  GLN  22          2HE2      GLN  22  10.027  16.911  -5.845
  195    H    HIS  23           H        HIS  23   9.938  10.780  -5.735
  196    HA   HIS  23           HA       HIS  23  10.675   8.751  -6.433
  197   1HB   HIS  23          1HB       HIS  23   9.311   7.741  -3.944
  198   2HB   HIS  23          2HB       HIS  23   9.996   6.646  -5.139
  199    HD1  HIS  23           HD1      HIS  23  12.550   6.534  -5.327
  200    HD2  HIS  23           HD2      HIS  23  11.177   9.104  -2.361
  201    HE1  HIS  23           HE1      HIS  23  14.556   7.066  -3.912
  202    HE2  HIS  23           HE2      HIS  23  13.756   8.840  -2.318
  203    H    TRP  24           H        TRP  24   7.329   9.291  -5.705
  204    HA   TRP  24           HA       TRP  24   6.105   7.201  -7.063
  205   1HB   TRP  24          1HB       TRP  24   4.842   8.753  -5.685
  206   2HB   TRP  24          2HB       TRP  24   5.211  10.080  -6.775
  207    HD1  TRP  24           HD1      TRP  24   3.660  10.407  -8.850
  208    HE1  TRP  24           HE1      TRP  24   1.502   9.271  -9.663
  209    HE3  TRP  24           HE3      TRP  24   3.650   6.344  -5.742
  210    HZ2  TRP  24           HZ2      TRP  24  -0.010   6.966  -9.068
  211    HZ3  TRP  24           HZ3      TRP  24   1.809   4.725  -5.929
  212    HH2  TRP  24           HH2      TRP  24   0.017   5.030  -7.558
  213    H    ARG  25           H        ARG  25   6.777   6.573  -9.010
  214    HA   ARG  25           HA       ARG  25   7.513   8.361 -11.093
  215   1HB   ARG  25          1HB       ARG  25   7.550   6.340 -12.516
  216   2HB   ARG  25          2HB       ARG  25   8.455   6.127 -11.023
  217   1HG   ARG  25          1HG       ARG  25   6.552   4.908 -10.063
  218   2HG   ARG  25          2HG       ARG  25   5.685   5.092 -11.587
  219   1HD   ARG  25          1HD       ARG  25   7.455   3.841 -12.732
  220   2HD   ARG  25          2HD       ARG  25   8.298   3.640 -11.195
  221    HE   ARG  25           HE       ARG  25   5.785   2.652 -10.748
  222   1HH1  ARG  25          1HH1      ARG  25   8.385   1.939 -12.977
  223   2HH1  ARG  25          2HH1      ARG  25   7.938   0.276 -13.170
  224   1HH2  ARG  25          1HH2      ARG  25   5.196   0.467 -10.986
  225   2HH2  ARG  25          2HH2      ARG  25   6.119  -0.559 -12.040
  226    H    ASN  26           H        ASN  26   6.257   9.449 -12.410
  227    HA   ASN  26           HA       ASN  26   3.424   8.718 -12.638
  228   1HB   ASN  26          1HB       ASN  26   3.090  11.000 -13.489
  229   2HB   ASN  26          2HB       ASN  26   3.894  11.028 -11.923
  230   1HD2  ASN  26          1HD2      ASN  26   3.852  13.069 -13.967
  231   2HD2  ASN  26          2HD2      ASN  26   5.506  13.346 -14.420
  232    H    ASP  27           H        ASP  27   5.895   7.614 -14.024
  233    HA   ASP  27           HA       ASP  27   4.853   7.772 -16.760
  234   1HB   ASP  27          1HB       ASP  27   6.783   9.224 -16.740
  235   2HB   ASP  27          2HB       ASP  27   7.749   8.002 -15.919
  236    H    GLU  28           H        GLU  28   4.665   5.861 -17.741
  237    HA   GLU  28           HA       GLU  28   5.555   3.476 -16.316
  238   1HB   GLU  28          1HB       GLU  28   3.753   3.822 -18.723
  239   2HB   GLU  28          2HB       GLU  28   4.144   2.274 -17.982
  240   1HG   GLU  28          1HG       GLU  28   3.033   2.880 -15.962
  241   2HG   GLU  28          2HG       GLU  28   2.813   4.537 -16.517
  242    HA   PRO  29           HA       PRO  29   9.155   3.694 -18.997
  243   1HB   PRO  29          1HB       PRO  29   9.838   1.177 -17.605
  244   2HB   PRO  29          2HB       PRO  29  10.759   2.680 -17.733
  245   1HG   PRO  29          1HG       PRO  29   9.575   1.967 -15.443
  246   2HG   PRO  29          2HG       PRO  29   9.656   3.664 -15.957
  247   1HD   PRO  29          1HD       PRO  29   7.360   1.747 -16.104
  248   2HD   PRO  29          2HD       PRO  29   7.367   3.469 -15.667
  249    H    GLN  30           H        GLN  30   7.960   0.409 -18.253
  250    HA   GLN  30           HA       GLN  30   7.734  -0.116 -21.131
  251   1HB   GLN  30          1HB       GLN  30   9.260  -1.799 -19.144
  252   2HB   GLN  30          2HB       GLN  30   8.766  -2.379 -20.725
  253   1HG   GLN  30          1HG       GLN  30  10.128  -0.668 -21.787
  254   2HG   GLN  30          2HG       GLN  30  10.608  -0.062 -20.200
  255   1HE2  GLN  30          1HE2      GLN  30  10.859  -2.697 -22.457
  256   2HE2  GLN  30          2HE2      GLN  30  12.256  -3.437 -21.741
  257    HA   PRO  31           HA       PRO  31   4.061  -2.316 -19.731
  258   1HB   PRO  31          1HB       PRO  31   4.057  -3.509 -22.401
  259   2HB   PRO  31          2HB       PRO  31   2.865  -2.436 -21.664
  260   1HG   PRO  31          1HG       PRO  31   4.476  -1.652 -23.694
  261   2HG   PRO  31          2HG       PRO  31   3.903  -0.538 -22.441
  262   1HD   PRO  31          1HD       PRO  31   6.565  -1.875 -22.717
  263   2HD   PRO  31          2HD       PRO  31   6.186  -0.215 -22.208
  264    H    HIS  32           H        HIS  32   6.897  -3.573 -21.272
  265    HA   HIS  32           HA       HIS  32   6.412  -6.338 -20.912
  266   1HB   HIS  32          1HB       HIS  32   8.047  -5.436 -22.517
  267   2HB   HIS  32          2HB       HIS  32   9.043  -4.866 -21.185
  268    HD1  HIS  32           HD1      HIS  32   8.163  -7.902 -23.134
  269    HD2  HIS  32           HD2      HIS  32  10.487  -6.898 -19.834
  270    HE1  HIS  32           HE1      HIS  32   9.605  -9.912 -22.678
  271    HE2  HIS  32           HE2      HIS  32  10.879  -9.343 -20.578
  272    H    GLN  33           H        GLN  33   7.418  -3.835 -18.780
  273    HA   GLN  33           HA       GLN  33   8.786  -5.368 -16.845
  274   1HB   GLN  33          1HB       GLN  33   7.224  -2.793 -16.636
  275   2HB   GLN  33          2HB       GLN  33   8.102  -3.491 -15.285
  276   1HG   GLN  33          1HG       GLN  33  10.188  -3.300 -16.528
  277   2HG   GLN  33          2HG       GLN  33   9.313  -2.627 -17.902
  278   1HE2  GLN  33          1HE2      GLN  33  11.466  -1.478 -16.268
  279   2HE2  GLN  33          2HE2      GLN  33  10.832   0.008 -15.641
  280    H    PHE  34           H        PHE  34   5.500  -5.185 -17.735
  281    HA   PHE  34           HA       PHE  34   4.607  -6.395 -15.219
  282   1HB   PHE  34          1HB       PHE  34   2.967  -5.327 -17.531
  283   2HB   PHE  34          2HB       PHE  34   2.343  -5.880 -15.980
  284    HD1  PHE  34           HD1      PHE  34   2.897  -4.587 -13.912
  285    HD2  PHE  34           HD2      PHE  34   3.770  -3.131 -17.815
  286    HE1  PHE  34           HE1      PHE  34   3.118  -2.310 -13.009
  287    HE2  PHE  34           HE2      PHE  34   3.997  -0.851 -16.918
  288    HZ   PHE  34           HZ       PHE  34   3.669  -0.438 -14.513
  289    H    ASN  35           H        ASN  35   5.593  -7.243 -18.309
  290    HA   ASN  35           HA       ASN  35   3.738  -9.372 -18.814
  291   1HB   ASN  35          1HB       ASN  35   6.412  -8.711 -20.058
  292   2HB   ASN  35          2HB       ASN  35   5.392 -10.042 -20.589
  293   1HD2  ASN  35          1HD2      ASN  35   2.921  -8.543 -20.123
  294   2HD2  ASN  35          2HD2      ASN  35   2.822  -7.390 -21.410
  295    H    SER  36           H        SER  36   6.645  -9.049 -17.009
  296    HA   SER  36           HA       SER  36   7.373 -11.751 -16.804
  297   1HB   SER  36          1HB       SER  36   8.272 -11.015 -14.533
  298   2HB   SER  36          2HB       SER  36   8.854 -10.096 -15.923
  299    HG   SER  36           HG       SER  36   8.234  -8.633 -14.367
  300    H    THR  37           H        THR  37   4.872  -9.819 -15.364
  301    HA   THR  37           HA       THR  37   3.066 -10.262 -14.086
  302    HB   THR  37           HB       THR  37   3.228 -13.013 -15.329
  303    HG1  THR  37           HG1      THR  37   3.337 -11.602 -17.021
  304   1HG2  THR  37          1HG2      THR  37   0.868 -11.350 -14.428
  305   2HG2  THR  37          2HG2      THR  37   1.515 -12.752 -13.577
  306   3HG2  THR  37          3HG2      THR  37   0.786 -12.948 -15.171
  307    H    GLN  38           H        GLN  38   4.859 -10.137 -12.410
  308    HA   GLN  38           HA       GLN  38   4.979 -12.615 -10.826
  309   1HB   GLN  38          1HB       GLN  38   6.858 -10.244 -10.681
  310   2HB   GLN  38          2HB       GLN  38   7.051 -11.797  -9.878
  311   1HG   GLN  38          1HG       GLN  38   7.320 -12.887 -12.043
  312   2HG   GLN  38          2HG       GLN  38   7.121 -11.330 -12.850
  313   1HE2  GLN  38          1HE2      GLN  38   8.875 -11.790  -9.854
  314   2HE2  GLN  38          2HE2      GLN  38  10.454 -11.470 -10.506
  315    HA   PRO  39           HA       PRO  39   2.636 -10.868  -7.543
  316   1HB   PRO  39          1HB       PRO  39   4.940 -11.277  -5.711
  317   2HB   PRO  39          2HB       PRO  39   3.270 -11.833  -5.558
  318   1HG   PRO  39          1HG       PRO  39   5.204 -13.528  -6.239
  319   2HG   PRO  39          2HG       PRO  39   3.596 -13.631  -6.983
  320   1HD   PRO  39          1HD       PRO  39   6.142 -12.552  -8.108
  321   2HD   PRO  39          2HD       PRO  39   4.840 -13.450  -8.916
  322    H    PHE  40           H        PHE  40   6.027  -9.850  -7.370
  323    HA   PHE  40           HA       PHE  40   5.099  -7.127  -6.725
  324   1HB   PHE  40          1HB       PHE  40   7.689  -8.445  -5.874
  325   2HB   PHE  40          2HB       PHE  40   7.215  -6.791  -5.512
  326    HD1  PHE  40           HD1      PHE  40   5.463  -6.332  -3.877
  327    HD2  PHE  40           HD2      PHE  40   6.758 -10.298  -4.692
  328    HE1  PHE  40           HE1      PHE  40   4.392  -7.104  -1.801
  329    HE2  PHE  40           HE2      PHE  40   5.690 -11.079  -2.620
  330    HZ   PHE  40           HZ       PHE  40   4.508  -9.482  -1.173
  331    H    PHE  41           H        PHE  41   6.297  -8.924  -9.146
  332    HA   PHE  41           HA       PHE  41   7.648  -8.652 -10.969
  333   1HB   PHE  41          1HB       PHE  41   7.044  -5.720 -10.499
  334   2HB   PHE  41          2HB       PHE  41   7.625  -6.425 -12.001
  335    HD1  PHE  41           HD2      PHE  41   6.130  -8.062 -13.216
  336    HD2  PHE  41           HD1      PHE  41   4.771  -5.622 -10.009
  337    HE1  PHE  41           HE2      PHE  41   3.808  -8.401 -13.947
  338    HE2  PHE  41           HE1      PHE  41   2.445  -5.957 -10.732
  339    HZ   PHE  41           HZ       PHE  41   1.962  -7.344 -12.708
  340    H    MET  42           H        MET  42   9.019  -8.908  -8.565
  341    HA   MET  42           HA       MET  42  10.753  -6.754  -7.963
  342   1HB   MET  42          1HB       MET  42  11.769  -8.247  -6.363
  343   2HB   MET  42          2HB       MET  42  10.022  -8.441  -6.318
  344   1HG   MET  42          1HG       MET  42  10.281 -10.452  -7.767
  345   2HG   MET  42          2HG       MET  42  12.028 -10.286  -7.592
  346   1HE   MET  42          1HE       MET  42   8.662 -11.273  -5.936
  347   2HE   MET  42          2HE       MET  42   9.032  -9.829  -4.995
  348   3HE   MET  42          3HE       MET  42   9.075 -11.414  -4.227
  349    H    ASP  43           H        ASP  43  10.882  -8.776 -10.558
  350    HA   ASP  43           HA       ASP  43  13.814  -8.742 -10.647
  351   1HB   ASP  43          1HB       ASP  43  11.802 -10.397 -12.175
  352   2HB   ASP  43          2HB       ASP  43  13.515 -10.348 -12.583
  353    H    THR  44           H        THR  44  10.961  -8.058 -12.665
  354    HA   THR  44           HA       THR  44  12.493  -6.757 -14.685
  355    HB   THR  44           HB       THR  44  10.122  -5.871 -15.328
  356    HG1  THR  44           HG1      THR  44   8.514  -6.572 -14.135
  357   1HG2  THR  44          1HG2      THR  44   9.612  -8.009 -16.420
  358   2HG2  THR  44          2HG2      THR  44  10.783  -8.818 -15.379
  359   3HG2  THR  44          3HG2      THR  44  11.326  -7.615 -16.548
  360    H    MET  45           H        MET  45  10.755  -5.704 -11.828
  361    HA   MET  45           HA       MET  45  11.877  -3.010 -12.232
  362   1HB   MET  45          1HB       MET  45   9.182  -3.675 -11.019
  363   2HB   MET  45          2HB       MET  45   9.895  -2.071 -11.094
  364   1HG   MET  45          1HG       MET  45   9.831  -2.174 -13.544
  365   2HG   MET  45          2HG       MET  45   9.068  -3.759 -13.444
  366   1HE   MET  45          1HE       MET  45   7.179  -3.292 -10.864
  367   2HE   MET  45          2HE       MET  45   6.659  -4.156 -12.311
  368   3HE   MET  45          3HE       MET  45   5.668  -2.850 -11.658
  369    H    GLU  46           H        GLU  46  11.739  -1.812  -9.982
  370    HA   GLU  46           HA       GLU  46  12.967  -3.524  -7.998
  371   1HB   GLU  46          1HB       GLU  46  12.236  -0.587  -7.884
  372   2HB   GLU  46          2HB       GLU  46  13.180  -1.445  -6.676
  373   1HG   GLU  46          1HG       GLU  46  13.971  -0.957  -9.538
  374   2HG   GLU  46          2HG       GLU  46  14.615  -0.139  -8.115
  375    HA   PRO  47           HA       PRO  47   9.298  -4.488  -5.650
  376   1HB   PRO  47          1HB       PRO  47  10.928  -3.720  -3.277
  377   2HB   PRO  47          2HB       PRO  47  10.017  -5.202  -3.583
  378   1HG   PRO  47          1HG       PRO  47  12.667  -5.191  -3.769
  379   2HG   PRO  47          2HG       PRO  47  11.683  -6.103  -4.928
  380   1HD   PRO  47          1HD       PRO  47  13.086  -3.488  -5.279
  381   2HD   PRO  47          2HD       PRO  47  12.871  -4.820  -6.435
  382    H    LEU  48           H        LEU  48  11.110  -1.540  -4.957
  383    HA   LEU  48           HA       LEU  48   9.012  -0.189  -3.592
  384   1HB   LEU  48          1HB       LEU  48  11.408   0.431  -3.435
  385   2HB   LEU  48          2HB       LEU  48  11.359   0.965  -5.104
  386    HG   LEU  48           HG       LEU  48   9.684   2.689  -4.465
  387   1HD1  LEU  48          1HD1      LEU  48   9.378   3.198  -2.087
  388   2HD1  LEU  48          2HD1      LEU  48  10.288   1.749  -1.665
  389   3HD1  LEU  48          3HD1      LEU  48   8.745   1.608  -2.508
  390   1HD2  LEU  48          1HD2      LEU  48  12.045   3.250  -4.619
  391   2HD2  LEU  48          2HD2      LEU  48  12.287   2.756  -2.944
  392   3HD2  LEU  48          3HD2      LEU  48  11.275   4.153  -3.315
  393    H    GLU  49           H        GLU  49   9.754  -0.728  -6.930
  394    HA   GLU  49           HA       GLU  49   8.187   1.432  -7.981
  395   1HB   GLU  49          1HB       GLU  49   9.144  -1.093  -9.348
  396   2HB   GLU  49          2HB       GLU  49   8.517   0.338 -10.151
  397   1HG   GLU  49          1HG       GLU  49  10.985   0.346  -8.443
  398   2HG   GLU  49          2HG       GLU  49  11.002   0.072 -10.182
  399    H    TRP  50           H        TRP  50   7.558  -1.763  -6.865
  400    HA   TRP  50           HA       TRP  50   5.195  -2.330  -8.299
  401   1HB   TRP  50          1HB       TRP  50   6.463  -4.044  -7.091
  402   2HB   TRP  50          2HB       TRP  50   6.086  -3.263  -5.560
  403    HD1  TRP  50           HD1      TRP  50   4.131  -4.912  -8.489
  404    HE1  TRP  50           HE1      TRP  50   2.101  -6.134  -7.487
  405    HE3  TRP  50           HE3      TRP  50   4.733  -3.594  -3.593
  406    HZ2  TRP  50           HZ2      TRP  50   0.905  -6.483  -4.954
  407    HZ3  TRP  50           HZ3      TRP  50   3.107  -4.413  -1.942
  408    HH2  TRP  50           HH2      TRP  50   1.230  -5.821  -2.609
  409    H    LEU  51           H        LEU  51   5.810  -0.680  -5.250
  410    HA   LEU  51           HA       LEU  51   3.133  -0.214  -4.504
  411   1HB   LEU  51          1HB       LEU  51   4.958   0.090  -2.939
  412   2HB   LEU  51          2HB       LEU  51   5.663   1.340  -3.945
  413    HG   LEU  51           HG       LEU  51   3.677   2.769  -3.489
  414   1HD1  LEU  51          1HD1      LEU  51   2.079   0.990  -2.985
  415   2HD1  LEU  51          2HD1      LEU  51   2.174   2.167  -1.675
  416   3HD1  LEU  51          3HD1      LEU  51   2.974   0.604  -1.514
  417   1HD2  LEU  51          1HD2      LEU  51   5.741   2.997  -2.196
  418   2HD2  LEU  51          2HD2      LEU  51   5.152   1.797  -1.045
  419   3HD2  LEU  51          3HD2      LEU  51   4.318   3.342  -1.212
  420    H    GLN  52           H        GLN  52   5.314   1.363  -6.704
  421    HA   GLN  52           HA       GLN  52   3.684   3.733  -6.967
  422   1HB   GLN  52          1HB       GLN  52   6.095   2.913  -8.581
  423   2HB   GLN  52          2HB       GLN  52   5.406   4.525  -8.450
  424   1HG   GLN  52          1HG       GLN  52   6.091   4.708  -6.172
  425   2HG   GLN  52          2HG       GLN  52   6.595   3.017  -6.139
  426   1HE2  GLN  52          1HE2      GLN  52   8.703   3.461  -5.617
  427   2HE2  GLN  52          2HE2      GLN  52   9.809   4.186  -6.731
  428    H    TRP  53           H        TRP  53   1.874   3.557  -8.077
  429    HA   TRP  53           HA       TRP  53   0.595   3.639  -9.948
  430   1HB   TRP  53          1HB       TRP  53   2.790   4.228 -11.090
  431   2HB   TRP  53          2HB       TRP  53   2.899   2.533 -11.546
  432    HD1  TRP  53           HD1      TRP  53   1.504   1.753 -13.617
  433    HE1  TRP  53           HE1      TRP  53  -0.032   2.961 -15.291
  434    HE3  TRP  53           HE3      TRP  53   1.036   6.232 -11.196
  435    HZ2  TRP  53           HZ2      TRP  53  -1.276   5.483 -15.550
  436    HZ3  TRP  53           HZ3      TRP  53  -0.344   7.988 -12.224
  437    HH2  TRP  53           HH2      TRP  53  -1.476   7.620 -14.355
  438    H    VAL  54           H        VAL  54   1.970   0.812  -8.711
  439    HA   VAL  54           HA       VAL  54   0.065  -0.794 -10.273
  440    HB   VAL  54           HB       VAL  54   2.327  -1.869  -8.588
  441   1HG1  VAL  54          1HG1      VAL  54   0.451  -3.401  -8.831
  442   2HG1  VAL  54          2HG1      VAL  54   1.839  -3.975  -9.760
  443   3HG1  VAL  54          3HG1      VAL  54   0.486  -3.194 -10.582
  444   1HG2  VAL  54          1HG2      VAL  54   3.445  -2.368 -10.720
  445   2HG2  VAL  54          2HG2      VAL  54   3.232  -0.634 -10.478
  446   3HG2  VAL  54          3HG2      VAL  54   2.168  -1.507 -11.581
  447    H    LEU  55           H        LEU  55   1.450  -1.094  -6.991
  448    HA   LEU  55           HA       LEU  55  -0.607  -2.589  -5.938
  449   1HB   LEU  55          1HB       LEU  55   1.499  -2.343  -4.789
  450   2HB   LEU  55          2HB       LEU  55   1.201  -0.634  -4.528
  451    HG   LEU  55           HG       LEU  55  -0.672  -1.181  -3.039
  452   1HD1  LEU  55          1HD1      LEU  55  -1.370  -3.279  -4.025
  453   2HD1  LEU  55          2HD1      LEU  55  -1.034  -3.480  -2.305
  454   3HD1  LEU  55          3HD1      LEU  55   0.132  -4.042  -3.503
  455   1HD2  LEU  55          1HD2      LEU  55   0.641  -2.102  -1.192
  456   2HD2  LEU  55          2HD2      LEU  55   1.529  -0.863  -2.079
  457   3HD2  LEU  55          3HD2      LEU  55   1.903  -2.568  -2.331
  458    H    ILE  56           H        ILE  56  -0.244   0.950  -5.550
  459    HA   ILE  56           HA       ILE  56  -2.579   1.277  -4.063
  460    HB   ILE  56           HB       ILE  56  -1.136   3.299  -5.771
  461   1HG1  ILE  56          1HG1      ILE  56  -1.136   2.802  -2.793
  462   2HG1  ILE  56          2HG1      ILE  56   0.149   2.334  -3.900
  463   1HG2  ILE  56          1HG2      ILE  56  -2.359   5.008  -4.546
  464   2HG2  ILE  56          2HG2      ILE  56  -3.270   3.758  -3.699
  465   3HG2  ILE  56          3HG2      ILE  56  -3.466   3.965  -5.439
  466   1HD1  ILE  56          1HD1      ILE  56   0.698   4.362  -2.672
  467   2HD1  ILE  56          2HD1      ILE  56  -0.731   5.154  -3.332
  468   3HD1  ILE  56          3HD1      ILE  56   0.582   4.670  -4.403
  469    HA   PRO  57           HA       PRO  57  -4.988   2.432  -8.168
  470   1HB   PRO  57          1HB       PRO  57  -3.310   1.003 -10.158
  471   2HB   PRO  57          2HB       PRO  57  -4.180   2.534 -10.309
  472   1HG   PRO  57          1HG       PRO  57  -1.539   2.514 -10.051
  473   2HG   PRO  57          2HG       PRO  57  -2.521   3.735  -9.216
  474   1HD   PRO  57          1HD       PRO  57  -1.252   1.250  -8.124
  475   2HD   PRO  57          2HD       PRO  57  -1.359   2.870  -7.415
  476    H    ARG  58           H        ARG  58  -3.143  -0.616  -8.216
  477    HA   ARG  58           HA       ARG  58  -5.165  -2.236  -9.269
  478   1HB   ARG  58          1HB       ARG  58  -2.809  -2.914  -9.138
  479   2HB   ARG  58          2HB       ARG  58  -2.934  -3.012  -7.387
  480   1HG   ARG  58          1HG       ARG  58  -4.445  -4.859  -7.531
  481   2HG   ARG  58          2HG       ARG  58  -4.569  -4.682  -9.283
  482   1HD   ARG  58          1HD       ARG  58  -2.248  -5.280  -9.551
  483   2HD   ARG  58          2HD       ARG  58  -2.024  -5.320  -7.804
  484    HE   ARG  58           HE       ARG  58  -3.807  -7.176  -7.940
  485   1HH1  ARG  58          1HH1      ARG  58  -1.371  -6.555 -10.384
  486   2HH1  ARG  58          2HH1      ARG  58  -1.234  -8.215 -10.870
  487   1HH2  ARG  58          1HH2      ARG  58  -3.622  -9.378  -8.562
  488   2HH2  ARG  58          2HH2      ARG  58  -2.507  -9.824  -9.827
  489    H    MET  59           H        MET  59  -4.374  -1.415  -5.915
  490    HA   MET  59           HA       MET  59  -6.456  -3.054  -4.831
  491   1HB   MET  59          1HB       MET  59  -4.716  -0.904  -3.644
  492   2HB   MET  59          2HB       MET  59  -5.990  -1.693  -2.723
  493   1HG   MET  59          1HG       MET  59  -3.633  -3.050  -4.010
  494   2HG   MET  59          2HG       MET  59  -3.831  -2.716  -2.290
  495   1HE   MET  59          1HE       MET  59  -3.304  -5.311  -1.821
  496   2HE   MET  59          2HE       MET  59  -3.167  -5.607  -3.556
  497   3HE   MET  59          3HE       MET  59  -4.206  -6.632  -2.564
  498    H    HIS  60           H        HIS  60  -6.244   0.239  -5.988
  499    HA   HIS  60           HA       HIS  60  -8.620   1.254  -4.902
  500   1HB   HIS  60          1HB       HIS  60  -7.010   1.862  -7.323
  501   2HB   HIS  60          2HB       HIS  60  -8.682   2.406  -7.337
  502    HD1  HIS  60           HD1      HIS  60  -9.332   4.313  -5.743
  503    HD2  HIS  60           HD2      HIS  60  -5.328   3.211  -5.519
  504    HE1  HIS  60           HE1      HIS  60  -8.194   6.141  -4.444
  505    HE2  HIS  60           HE2      HIS  60  -5.740   5.595  -4.595
  506    H    ASP  61           H        ASP  61  -8.024  -0.759  -7.729
  507    HA   ASP  61           HA       ASP  61 -10.701  -0.914  -8.630
  508   1HB   ASP  61          1HB       ASP  61  -8.421  -2.881  -8.973
  509   2HB   ASP  61          2HB       ASP  61  -9.948  -2.951  -9.845
  510    H    LEU  62           H        LEU  62  -8.747  -3.068  -6.606
  511    HA   LEU  62           HA       LEU  62 -10.631  -5.055  -6.132
  512   1HB   LEU  62          1HB       LEU  62  -8.179  -5.064  -5.564
  513   2HB   LEU  62          2HB       LEU  62  -8.550  -4.063  -4.179
  514    HG   LEU  62           HG       LEU  62  -9.849  -6.750  -4.512
  515   1HD1  LEU  62          1HD1      LEU  62  -7.452  -7.125  -4.710
  516   2HD1  LEU  62          2HD1      LEU  62  -8.057  -7.718  -3.163
  517   3HD1  LEU  62          3HD1      LEU  62  -7.175  -6.191  -3.238
  518   1HD2  LEU  62          1HD2      LEU  62  -9.177  -5.034  -2.124
  519   2HD2  LEU  62          2HD2      LEU  62  -9.905  -6.639  -2.047
  520   3HD2  LEU  62          3HD2      LEU  62 -10.781  -5.309  -2.806
  521    H    LEU  63           H        LEU  63  -9.988  -2.094  -4.292
  522    HA   LEU  63           HA       LEU  63 -11.946  -2.586  -2.296
  523   1HB   LEU  63          1HB       LEU  63 -10.657   0.002  -3.153
  524   2HB   LEU  63          2HB       LEU  63 -11.581  -0.232  -1.681
  525    HG   LEU  63           HG       LEU  63  -9.027  -1.702  -2.327
  526   1HD1  LEU  63          1HD1      LEU  63  -9.486   0.691  -0.557
  527   2HD1  LEU  63          2HD1      LEU  63  -8.580   0.663  -2.071
  528   3HD1  LEU  63          3HD1      LEU  63  -7.987  -0.232  -0.672
  529   1HD2  LEU  63          1HD2      LEU  63 -10.628  -1.480   0.218
  530   2HD2  LEU  63          2HD2      LEU  63  -9.077  -2.300   0.044
  531   3HD2  LEU  63          3HD2      LEU  63 -10.495  -2.908  -0.808
  532    H    ASP  64           H        ASP  64 -11.972  -0.787  -5.333
  533    HA   ASP  64           HA       ASP  64 -14.542   0.372  -4.957
  534   1HB   ASP  64          1HB       ASP  64 -12.859   1.239  -6.568
  535   2HB   ASP  64          2HB       ASP  64 -13.099  -0.199  -7.556
  536    H    ASN  65           H        ASN  65 -13.385  -2.654  -6.289
  537    HA   ASN  65           HA       ASN  65 -15.954  -3.529  -7.220
  538   1HB   ASN  65          1HB       ASN  65 -13.344  -4.947  -6.701
  539   2HB   ASN  65          2HB       ASN  65 -14.794  -5.833  -7.150
  540   1HD2  ASN  65          1HD2      ASN  65 -14.156  -2.647  -8.408
  541   2HD2  ASN  65          2HD2      ASN  65 -13.792  -3.144 -10.022
  542    H    LYS  66           H        LYS  66 -14.578  -3.128  -4.203
  543    HA   LYS  66           HA       LYS  66 -15.293  -3.499  -2.094
  544   1HB   LYS  66          1HB       LYS  66 -17.818  -4.571  -3.359
  545   2HB   LYS  66          2HB       LYS  66 -17.627  -4.028  -1.697
  546   1HG   LYS  66          1HG       LYS  66 -17.133  -1.758  -2.529
  547   2HG   LYS  66          2HG       LYS  66 -17.433  -2.326  -4.173
  548   1HD   LYS  66          1HD       LYS  66 -19.729  -2.994  -3.419
  549   2HD   LYS  66          2HD       LYS  66 -19.393  -2.180  -1.889
  550   1HE   LYS  66          1HE       LYS  66 -19.447  -0.935  -4.635
  551   2HE   LYS  66          2HE       LYS  66 -20.625  -0.700  -3.346
  552   1HZ   LYS  66          1HZ       LYS  66 -17.786   0.180  -3.340
  553   2HZ   LYS  66          2HZ       LYS  66 -18.820   0.296  -2.004
  554   3HZ   LYS  66          3HZ       LYS  66 -19.161   1.168  -3.413
  555    H    GLN  67           H        GLN  67 -13.825  -5.502  -3.552
  556    HA   GLN  67           HA       GLN  67 -14.736  -8.104  -2.831
  557   1HB   GLN  67          1HB       GLN  67 -12.041  -7.030  -3.673
  558   2HB   GLN  67          2HB       GLN  67 -12.350  -8.737  -3.380
  559   1HG   GLN  67          1HG       GLN  67 -13.869  -7.085  -5.376
  560   2HG   GLN  67          2HG       GLN  67 -12.439  -8.041  -5.771
  561   1HE2  GLN  67          1HE2      GLN  67 -12.567 -10.265  -5.751
  562   2HE2  GLN  67          2HE2      GLN  67 -14.076 -11.109  -5.745
  563    HA   PRO  68           HA       PRO  68 -13.457  -8.308   1.446
  564   1HB   PRO  68          1HB       PRO  68 -12.861 -11.144   0.802
  565   2HB   PRO  68          2HB       PRO  68 -13.914 -10.472   2.052
  566   1HG   PRO  68          1HG       PRO  68 -14.936 -11.630  -0.123
  567   2HG   PRO  68          2HG       PRO  68 -15.693 -10.193   0.594
  568   1HD   PRO  68          1HD       PRO  68 -13.958 -10.415  -1.834
  569   2HD   PRO  68          2HD       PRO  68 -15.398  -9.412  -1.566
  570    H    LEU  69           H        LEU  69 -11.535  -8.171   2.507
  571    HA   LEU  69           HA       LEU  69  -9.235  -7.921   0.787
  572   1HB   LEU  69          1HB       LEU  69  -9.555  -7.416   3.744
  573   2HB   LEU  69          2HB       LEU  69  -8.142  -6.993   2.793
  574    HG   LEU  69           HG       LEU  69 -10.914  -5.853   2.411
  575   1HD1  LEU  69          1HD1      LEU  69  -9.868  -5.083   4.469
  576   2HD1  LEU  69          2HD1      LEU  69  -9.937  -3.787   3.273
  577   3HD1  LEU  69          3HD1      LEU  69  -8.416  -4.630   3.573
  578   1HD2  LEU  69          1HD2      LEU  69  -9.677  -5.968   0.317
  579   2HD2  LEU  69          2HD2      LEU  69  -8.295  -5.177   1.076
  580   3HD2  LEU  69          3HD2      LEU  69  -9.809  -4.297   0.873
  581    HA   PRO  70           HA       PRO  70  -7.066 -11.694   1.933
  582   1HB   PRO  70          1HB       PRO  70  -4.647 -10.016   1.648
  583   2HB   PRO  70          2HB       PRO  70  -5.079 -11.509   0.811
  584   1HG   PRO  70          1HG       PRO  70  -5.131  -9.127  -0.429
  585   2HG   PRO  70          2HG       PRO  70  -6.300 -10.405  -0.807
  586   1HD   PRO  70          1HD       PRO  70  -6.646  -7.935   0.833
  587   2HD   PRO  70          2HD       PRO  70  -7.787  -8.724  -0.274
  588    H    GLY  71           H        GLY  71  -6.729 -12.367   3.964
  589   1HA   GLY  71          1HA       GLY  71  -6.719 -10.439   6.087
  590   2HA   GLY  71          2HA       GLY  71  -6.715 -12.187   6.265
  591    H    ALA  72           H        ALA  72  -4.277 -12.238   4.456
  592    HA   ALA  72           HA       ALA  72  -2.331 -11.328   6.463
  593   1HB   ALA  72          1HB       ALA  72  -2.589 -13.759   6.561
  594   2HB   ALA  72          2HB       ALA  72  -0.978 -13.302   6.003
  595   3HB   ALA  72          3HB       ALA  72  -2.184 -13.870   4.848
  596    H    PHE  73           H        PHE  73  -2.676  -9.482   4.804
  597    HA   PHE  73           HA       PHE  73  -0.888  -9.817   2.500
  598   1HB   PHE  73          1HB       PHE  73  -3.204  -8.844   2.210
  599   2HB   PHE  73          2HB       PHE  73  -2.662  -7.452   3.139
  600    HD1  PHE  73           HD1      PHE  73  -1.580  -9.470   0.191
  601    HD2  PHE  73           HD2      PHE  73  -1.935  -5.621   1.969
  602    HE1  PHE  73           HE1      PHE  73  -0.710  -8.442  -1.866
  603    HE2  PHE  73           HE2      PHE  73  -1.061  -4.586  -0.083
  604    HZ   PHE  73           HZ       PHE  73  -0.446  -5.998  -2.006
  605    H    ALA  74           H        ALA  74   0.329  -9.786   5.019
  606    HA   ALA  74           HA       ALA  74   1.319  -7.161   5.605
  607   1HB   ALA  74          1HB       ALA  74   2.829  -8.285   7.160
  608   2HB   ALA  74          2HB       ALA  74   2.354  -9.850   6.500
  609   3HB   ALA  74          3HB       ALA  74   1.172  -8.859   7.354
  610    H    VAL  75           H        VAL  75   2.250  -6.326   3.764
  611    HA   VAL  75           HA       VAL  75   4.417  -7.793   2.481
  612    HB   VAL  75           HB       VAL  75   4.489  -5.899   0.884
  613   1HG1  VAL  75          1HG1      VAL  75   3.071  -7.824   0.421
  614   2HG1  VAL  75          2HG1      VAL  75   2.327  -6.342  -0.179
  615   3HG1  VAL  75          3HG1      VAL  75   1.745  -7.078   1.314
  616   1HG2  VAL  75          1HG2      VAL  75   3.763  -4.111   2.372
  617   2HG2  VAL  75          2HG2      VAL  75   2.163  -4.843   2.493
  618   3HG2  VAL  75          3HG2      VAL  75   2.724  -4.197   0.951
  619    H    ALA  76           H        ALA  76   4.133  -5.901   5.124
  620    HA   ALA  76           HA       ALA  76   6.198  -4.033   4.941
  621   1HB   ALA  76          1HB       ALA  76   4.516  -4.042   6.734
  622   2HB   ALA  76          2HB       ALA  76   6.164  -3.944   7.355
  623   3HB   ALA  76          3HB       ALA  76   5.285  -5.470   7.428
  624    HA   PRO  77           HA       PRO  77   9.134  -7.477   6.966
  625   1HB   PRO  77          1HB       PRO  77   8.436  -9.985   5.962
  626   2HB   PRO  77          2HB       PRO  77   8.163  -9.423   7.613
  627   1HG   PRO  77          1HG       PRO  77   6.282  -9.494   5.295
  628   2HG   PRO  77          2HG       PRO  77   5.966  -9.826   7.009
  629   1HD   PRO  77          1HD       PRO  77   5.222  -7.519   5.904
  630   2HD   PRO  77          2HD       PRO  77   5.878  -7.565   7.555
  631    H    TYR  78           H        TYR  78   7.574  -7.907   3.824
  632    HA   TYR  78           HA       TYR  78   9.908  -8.809   2.482
  633   1HB   TYR  78          1HB       TYR  78   7.752  -9.318   1.529
  634   2HB   TYR  78          2HB       TYR  78   7.339  -7.608   1.433
  635    HD1  TYR  78           HD1      TYR  78   9.868 -10.051   0.183
  636    HD2  TYR  78           HD2      TYR  78   7.698  -6.465  -0.554
  637    HE1  TYR  78           HE1      TYR  78  10.828  -9.937  -2.077
  638    HE2  TYR  78           HE2      TYR  78   8.653  -6.345  -2.815
  639    HH   TYR  78           HH       TYR  78  10.423  -8.952  -4.202
  640    H    TYR  79           H        TYR  79   8.290  -5.647   2.687
  641    HA   TYR  79           HA       TYR  79  10.098  -4.322   0.989
  642   1HB   TYR  79          1HB       TYR  79   7.971  -3.480   2.866
  643   2HB   TYR  79          2HB       TYR  79   9.180  -2.270   2.446
  644    HD1  TYR  79           HD2      TYR  79   9.401  -1.474   0.156
  645    HD2  TYR  79           HD1      TYR  79   6.409  -4.313   1.204
  646    HE1  TYR  79           HE2      TYR  79   8.251  -1.038  -1.971
  647    HE2  TYR  79           HE1      TYR  79   5.255  -3.888  -0.926
  648    HH   TYR  79           HH       TYR  79   6.677  -2.324  -3.498
  649    H    GLU  80           H        GLU  80  10.228  -5.001   4.430
  650    HA   GLU  80           HA       GLU  80  12.313  -3.205   5.050
  651   1HB   GLU  80          1HB       GLU  80  11.035  -4.277   6.818
  652   2HB   GLU  80          2HB       GLU  80  11.620  -5.861   6.320
  653   1HG   GLU  80          1HG       GLU  80  13.838  -5.342   6.994
  654   2HG   GLU  80          2HG       GLU  80  13.431  -3.649   7.247
  655    H    MET  81           H        MET  81  12.301  -6.435   3.676
  656    HA   MET  81           HA       MET  81  15.174  -6.674   3.722
  657   1HB   MET  81          1HB       MET  81  13.120  -8.263   2.168
  658   2HB   MET  81          2HB       MET  81  14.816  -8.684   2.350
  659   1HG   MET  81          1HG       MET  81  14.480  -8.932   4.768
  660   2HG   MET  81          2HG       MET  81  12.772  -8.549   4.554
  661   1HE   MET  81          1HE       MET  81  12.408 -10.028   1.660
  662   2HE   MET  81          2HE       MET  81  11.170 -10.061   2.916
  663   3HE   MET  81          3HE       MET  81  11.716 -11.566   2.180
  664    H    ALA  82           H        ALA  82  12.679  -5.762   1.435
  665    HA   ALA  82           HA       ALA  82  14.302  -5.680  -0.872
  666   1HB   ALA  82          1HB       ALA  82  12.457  -4.463  -1.890
  667   2HB   ALA  82          2HB       ALA  82  11.742  -4.196  -0.298
  668   3HB   ALA  82          3HB       ALA  82  11.865  -5.832  -0.949
  669    H    LEU  83           H        LEU  83  13.555  -3.304   1.608
  670    HA   LEU  83           HA       LEU  83  15.049  -1.239   0.179
  671   1HB   LEU  83          1HB       LEU  83  13.489  -1.133   2.763
  672   2HB   LEU  83          2HB       LEU  83  14.286   0.240   2.018
  673    HG   LEU  83           HG       LEU  83  12.040  -1.330   0.751
  674   1HD1  LEU  83          1HD1      LEU  83  12.007   1.352   2.123
  675   2HD1  LEU  83          2HD1      LEU  83  11.252  -0.131   2.707
  676   3HD1  LEU  83          3HD1      LEU  83  10.665   0.634   1.232
  677   1HD2  LEU  83          1HD2      LEU  83  13.532  -0.291  -0.875
  678   2HD2  LEU  83          2HD2      LEU  83  13.357   1.260  -0.053
  679   3HD2  LEU  83          3HD2      LEU  83  11.965   0.518  -0.843
  680    H    ALA  84           H        ALA  84  15.812  -3.750   2.041
  681    HA   ALA  84           HA       ALA  84  17.665  -4.408   3.153
  682   1HB   ALA  84          1HB       ALA  84  18.892  -3.148   1.442
  683   2HB   ALA  84          2HB       ALA  84  19.704  -3.103   3.008
  684   3HB   ALA  84          3HB       ALA  84  18.791  -1.702   2.447
  685    H    THR  85           H        THR  85  19.269  -3.549   4.992
  686    HA   THR  85           HA       THR  85  17.557  -2.728   7.150
  687    HB   THR  85           HB       THR  85  19.775  -2.899   8.435
  688    HG1  THR  85           HG1      THR  85  21.416  -3.007   7.105
  689   1HG2  THR  85          1HG2      THR  85  19.656  -5.344   8.494
  690   2HG2  THR  85          2HG2      THR  85  18.700  -5.332   7.011
  691   3HG2  THR  85          3HG2      THR  85  18.042  -4.629   8.491
  692    H    ASP  86           H        ASP  86  19.270  -1.129   4.843
  693    HA   ASP  86           HA       ASP  86  19.976   1.167   6.506
  694   1HB   ASP  86          1HB       ASP  86  21.519   0.185   4.712
  695   2HB   ASP  86          2HB       ASP  86  20.402   0.852   3.529
  696    H    HIS  87           H        HIS  87  19.573   3.211   4.629
  697    HA   HIS  87           HA       HIS  87  18.024   4.729   3.977
  698   1HB   HIS  87          1HB       HIS  87  17.594   2.809   2.327
  699   2HB   HIS  87          2HB       HIS  87  16.185   2.431   3.312
  700    HD1  HIS  87           HD1      HIS  87  17.264   4.477   0.521
  701    HD2  HIS  87           HD2      HIS  87  14.287   4.694   3.423
  702    HE1  HIS  87           HE1      HIS  87  15.610   6.168  -0.325
  703    HE2  HIS  87           HE2      HIS  87  13.985   6.477   1.569
  704    HA   PRO  88           HA       PRO  88  16.189   4.516   8.219
  705   1HB   PRO  88          1HB       PRO  88  16.143   7.430   7.574
  706   2HB   PRO  88          2HB       PRO  88  16.625   6.616   9.066
  707   1HG   PRO  88          1HG       PRO  88  18.469   7.566   7.411
  708   2HG   PRO  88          2HG       PRO  88  18.702   6.001   8.213
  709   1HD   PRO  88          1HD       PRO  88  17.945   6.594   5.389
  710   2HD   PRO  88          2HD       PRO  88  18.966   5.295   6.037
  711    H    GLN  89           H        GLN  89  15.006   6.271   5.384
  712    HA   GLN  89           HA       GLN  89  12.444   6.907   6.365
  713   1HB   GLN  89          1HB       GLN  89  13.329   6.420   3.520
  714   2HB   GLN  89          2HB       GLN  89  11.807   7.162   3.988
  715   1HG   GLN  89          1HG       GLN  89  12.989   9.028   4.977
  716   2HG   GLN  89          2HG       GLN  89  14.537   8.270   4.598
  717   1HE2  GLN  89          1HE2      GLN  89  13.455  10.842   3.747
  718   2HE2  GLN  89          2HE2      GLN  89  13.469  10.807   2.011
  719    H    ARG  90           H        ARG  90  13.746   3.869   5.568
  720    HA   ARG  90           HA       ARG  90  11.531   2.594   4.404
  721   1HB   ARG  90          1HB       ARG  90  12.765   0.692   4.530
  722   2HB   ARG  90          2HB       ARG  90  14.060   1.802   4.956
  723   1HG   ARG  90          1HG       ARG  90  13.694   1.369   7.312
  724   2HG   ARG  90          2HG       ARG  90  12.328   0.323   6.928
  725   1HD   ARG  90          1HD       ARG  90  14.019  -1.021   5.539
  726   2HD   ARG  90          2HD       ARG  90  15.250  -0.134   6.440
  727    HE   ARG  90           HE       ARG  90  13.253  -1.949   7.620
  728   1HH1  ARG  90          1HH1      ARG  90  16.308  -0.256   7.800
  729   2HH1  ARG  90          2HH1      ARG  90  16.799  -1.048   9.268
  730   1HH2  ARG  90          1HH2      ARG  90  13.883  -2.989   9.539
  731   2HH2  ARG  90          2HH2      ARG  90  15.413  -2.580  10.267
  732    H    ALA  91           H        ALA  91  12.308   3.377   7.723
  733    HA   ALA  91           HA       ALA  91  10.492   1.663   9.021
  734   1HB   ALA  91          1HB       ALA  91  11.505   4.357   9.931
  735   2HB   ALA  91          2HB       ALA  91  12.314   2.809  10.187
  736   3HB   ALA  91          3HB       ALA  91  10.755   3.128  10.950
  737    H    LEU  92           H        LEU  92  10.141   4.891   7.669
  738    HA   LEU  92           HA       LEU  92   7.548   5.419   8.652
  739   1HB   LEU  92          1HB       LEU  92   8.882   6.434   6.137
  740   2HB   LEU  92          2HB       LEU  92   7.440   7.113   6.866
  741    HG   LEU  92           HG       LEU  92  10.175   7.058   8.145
  742   1HD1  LEU  92          1HD1      LEU  92   8.629   9.333   6.912
  743   2HD1  LEU  92          2HD1      LEU  92  10.076   8.579   6.243
  744   3HD1  LEU  92          3HD1      LEU  92  10.168   9.468   7.764
  745   1HD2  LEU  92          1HD2      LEU  92   9.161   8.549   9.809
  746   2HD2  LEU  92          2HD2      LEU  92   8.393   6.963   9.793
  747   3HD2  LEU  92          3HD2      LEU  92   7.591   8.338   9.033
  748    H    ILE  93           H        ILE  93   8.760   3.844   5.759
  749    HA   ILE  93           HA       ILE  93   6.222   3.509   4.514
  750    HB   ILE  93           HB       ILE  93   8.769   1.937   4.061
  751   1HG1  ILE  93          1HG1      ILE  93   7.728   4.400   2.638
  752   2HG1  ILE  93          2HG1      ILE  93   9.060   4.386   3.792
  753   1HG2  ILE  93          1HG2      ILE  93   7.820   1.454   1.857
  754   2HG2  ILE  93          2HG2      ILE  93   6.352   2.326   2.295
  755   3HG2  ILE  93          3HG2      ILE  93   6.783   0.845   3.147
  756   1HD1  ILE  93          1HD1      ILE  93  10.338   2.948   2.290
  757   2HD1  ILE  93          2HD1      ILE  93   9.872   4.458   1.509
  758   3HD1  ILE  93          3HD1      ILE  93   9.004   2.968   1.138
  759    H    LEU  94           H        LEU  94   8.296   1.444   6.511
  760    HA   LEU  94           HA       LEU  94   6.776  -0.898   6.395
  761   1HB   LEU  94          1HB       LEU  94   8.499   0.147   8.641
  762   2HB   LEU  94          2HB       LEU  94   7.868  -1.486   8.548
  763    HG   LEU  94           HG       LEU  94   9.821  -0.224   6.625
  764   1HD1  LEU  94          1HD1      LEU  94  10.813  -0.778   8.772
  765   2HD1  LEU  94          2HD1      LEU  94  11.382  -1.882   7.521
  766   3HD1  LEU  94          3HD1      LEU  94  10.155  -2.409   8.673
  767   1HD2  LEU  94          1HD2      LEU  94   8.304  -1.769   5.489
  768   2HD2  LEU  94          2HD2      LEU  94   8.682  -3.017   6.678
  769   3HD2  LEU  94          3HD2      LEU  94   9.936  -2.428   5.586
  770    H    ALA  95           H        ALA  95   6.697   1.704   8.825
  771    HA   ALA  95           HA       ALA  95   4.641   0.636  10.400
  772   1HB   ALA  95          1HB       ALA  95   6.095   2.473  11.122
  773   2HB   ALA  95          2HB       ALA  95   4.389   2.879  11.303
  774   3HB   ALA  95          3HB       ALA  95   5.316   3.541   9.957
  775    H    GLU  96           H        GLU  96   4.558   2.645   7.523
  776    HA   GLU  96           HA       GLU  96   1.775   3.215   7.609
  777   1HB   GLU  96          1HB       GLU  96   3.785   4.292   6.259
  778   2HB   GLU  96          2HB       GLU  96   3.284   3.137   5.035
  779   1HG   GLU  96          1HG       GLU  96   2.237   5.241   4.600
  780   2HG   GLU  96          2HG       GLU  96   1.009   4.087   5.117
  781    H    LEU  97           H        LEU  97   3.722   0.616   6.296
  782    HA   LEU  97           HA       LEU  97   1.583  -0.595   4.816
  783   1HB   LEU  97          1HB       LEU  97   4.268  -1.662   5.683
  784   2HB   LEU  97          2HB       LEU  97   3.142  -2.546   4.671
  785    HG   LEU  97           HG       LEU  97   4.424   0.090   3.944
  786   1HD1  LEU  97          1HD1      LEU  97   5.726  -1.222   2.351
  787   2HD1  LEU  97          2HD1      LEU  97   4.997  -2.706   2.968
  788   3HD1  LEU  97          3HD1      LEU  97   6.042  -1.737   4.009
  789   1HD2  LEU  97          1HD2      LEU  97   2.218  -0.218   2.937
  790   2HD2  LEU  97          2HD2      LEU  97   2.710  -1.798   2.329
  791   3HD2  LEU  97          3HD2      LEU  97   3.494  -0.340   1.724
  792    H    GLU  98           H        GLU  98   3.036  -1.070   8.009
  793    HA   GLU  98           HA       GLU  98   1.534  -3.348   8.732
  794   1HB   GLU  98          1HB       GLU  98   2.634  -1.138  10.476
  795   2HB   GLU  98          2HB       GLU  98   2.004  -2.667  11.074
  796   1HG   GLU  98          1HG       GLU  98   3.753  -3.850   9.808
  797   2HG   GLU  98          2HG       GLU  98   4.403  -2.293   9.296
  798    H    LYS  99           H        LYS  99   0.902   0.091   8.954
  799    HA   LYS  99           HA       LYS  99  -1.565   0.016  10.284
  800   1HB   LYS  99          1HB       LYS  99  -0.116   2.031   9.740
  801   2HB   LYS  99          2HB       LYS  99  -0.765   1.955   8.111
  802   1HG   LYS  99          1HG       LYS  99  -3.020   2.303   8.996
  803   2HG   LYS  99          2HG       LYS  99  -2.352   2.403  10.629
  804   1HD   LYS  99          1HD       LYS  99  -1.829   4.266   8.314
  805   2HD   LYS  99          2HD       LYS  99  -2.683   4.636   9.814
  806   1HE   LYS  99          1HE       LYS  99   0.234   3.884   9.611
  807   2HE   LYS  99          2HE       LYS  99  -0.380   5.528   9.776
  808   1HZ   LYS  99          1HZ       LYS  99   0.366   4.515  11.886
  809   2HZ   LYS  99          2HZ       LYS  99  -0.873   3.364  11.752
  810   3HZ   LYS  99          3HZ       LYS  99  -1.257   5.008  11.916
  811    H    LEU 100           H        LEU 100  -0.679  -0.321   6.901
  812    HA   LEU 100           HA       LEU 100  -3.303  -0.415   5.840
  813   1HB   LEU 100          1HB       LEU 100  -1.276   0.056   4.508
  814   2HB   LEU 100          2HB       LEU 100  -0.738  -1.592   4.759
  815    HG   LEU 100           HG       LEU 100  -2.727  -2.397   3.510
  816   1HD1  LEU 100          1HD1      LEU 100  -4.216  -0.522   3.922
  817   2HD1  LEU 100          2HD1      LEU 100  -4.015  -0.785   2.191
  818   3HD1  LEU 100          3HD1      LEU 100  -3.164   0.539   2.985
  819   1HD2  LEU 100          1HD2      LEU 100  -1.008  -0.411   2.027
  820   2HD2  LEU 100          2HD2      LEU 100  -1.910  -1.747   1.310
  821   3HD2  LEU 100          3HD2      LEU 100  -0.565  -2.076   2.404
  822    H    ASP 101           H        ASP 101  -1.010  -2.913   6.869
  823    HA   ASP 101           HA       ASP 101  -2.518  -5.171   6.184
  824   1HB   ASP 101          1HB       ASP 101  -0.231  -5.480   6.756
  825   2HB   ASP 101          2HB       ASP 101  -0.443  -4.708   8.322
  826    H    ALA 102           H        ALA 102  -2.592  -3.146   9.070
  827    HA   ALA 102           HA       ALA 102  -4.267  -4.770  10.645
  828   1HB   ALA 102          1HB       ALA 102  -4.011  -1.765  10.670
  829   2HB   ALA 102          2HB       ALA 102  -2.985  -2.896  11.555
  830   3HB   ALA 102          3HB       ALA 102  -4.698  -2.761  11.954
  831    H    LEU 103           H        LEU 103  -4.920  -2.766   7.924
  832    HA   LEU 103           HA       LEU 103  -7.774  -2.666   8.414
  833   1HB   LEU 103          1HB       LEU 103  -6.131  -1.834   6.021
  834   2HB   LEU 103          2HB       LEU 103  -7.850  -1.547   6.207
  835    HG   LEU 103           HG       LEU 103  -5.734  -0.420   8.042
  836   1HD1  LEU 103          1HD1      LEU 103  -6.142   1.704   6.925
  837   2HD1  LEU 103          2HD1      LEU 103  -7.245   0.912   5.800
  838   3HD1  LEU 103          3HD1      LEU 103  -5.528   0.501   5.790
  839   1HD2  LEU 103          1HD2      LEU 103  -7.566   1.028   8.806
  840   2HD2  LEU 103          2HD2      LEU 103  -7.891  -0.677   9.119
  841   3HD2  LEU 103          3HD2      LEU 103  -8.685   0.139   7.773
  842    H    PHE 104           H        PHE 104  -5.483  -4.337   6.314
  843    HA   PHE 104           HA       PHE 104  -7.376  -5.776   4.795
  844   1HB   PHE 104          1HB       PHE 104  -4.458  -6.083   5.364
  845   2HB   PHE 104          2HB       PHE 104  -5.318  -7.413   4.594
  846    HD1  PHE 104           HD1      PHE 104  -6.318  -7.130   2.400
  847    HD2  PHE 104           HD2      PHE 104  -3.987  -4.050   4.171
  848    HE1  PHE 104           HE1      PHE 104  -6.091  -6.053   0.202
  849    HE2  PHE 104           HE2      PHE 104  -3.754  -2.963   1.974
  850    HZ   PHE 104           HZ       PHE 104  -4.807  -3.967  -0.014
  851    H    ALA 105           H        ALA 105  -5.684  -6.529   7.801
  852    HA   ALA 105           HA       ALA 105  -6.799  -9.158   8.015
  853   1HB   ALA 105          1HB       ALA 105  -5.442  -7.465  10.109
  854   2HB   ALA 105          2HB       ALA 105  -4.640  -8.589   9.010
  855   3HB   ALA 105          3HB       ALA 105  -5.770  -9.195  10.222
  856    H    ASP 106           H        ASP 106  -8.194  -6.191   8.348
  857    HA   ASP 106           HA       ASP 106  -9.911  -6.887  10.597
  858   1HB   ASP 106          1HB       ASP 106  -9.106  -4.555  10.323
  859   2HB   ASP 106          2HB       ASP 106  -9.982  -4.451   8.800
  860    H    ASP 107           H        ASP 107 -10.046  -6.525   7.104
  861    HA   ASP 107           HA       ASP 107 -12.797  -7.553   7.131
  862   1HB   ASP 107          1HB       ASP 107 -12.465  -5.457   5.869
  863   2HB   ASP 107          2HB       ASP 107 -11.262  -6.260   4.863
  864    H    ALA 108           H        ALA 108 -12.189  -9.690   7.572
  865    HA   ALA 108           HA       ALA 108 -10.458 -11.031   5.647
  866   1HB   ALA 108          1HB       ALA 108 -11.690 -12.084   8.190
  867   2HB   ALA 108          2HB       ALA 108 -10.064 -11.421   8.034
  868   3HB   ALA 108          3HB       ALA 108 -10.493 -12.909   7.191
  869    H    SER 109           H        SER 109 -11.099 -12.871   4.507
  870    HA   SER 109           HA       SER 109 -13.969 -13.000   3.981
  871   1HB   SER 109          1HB       SER 109 -13.068 -14.423   1.983
  872   2HB   SER 109          2HB       SER 109 -12.873 -12.670   1.954
  873    HG   SER 109           HG       SER 109 -10.767 -12.878   2.223
  874    H    LEU 110           H        LEU 110 -14.270 -15.500   2.965
  875    HA   LEU 110           HA       LEU 110 -14.551 -17.115   5.237
  876   1HB   LEU 110          1HB       LEU 110 -14.530 -17.875   2.318
  877   2HB   LEU 110          2HB       LEU 110 -15.010 -18.952   3.614
  878    HG   LEU 110           HG       LEU 110 -16.399 -16.382   2.849
  879   1HD1  LEU 110          1HD1      LEU 110 -18.213 -17.838   2.127
  880   2HD1  LEU 110          2HD1      LEU 110 -17.252 -19.259   2.538
  881   3HD1  LEU 110          3HD1      LEU 110 -16.733 -18.189   1.235
  882   1HD2  LEU 110          1HD2      LEU 110 -16.534 -16.788   5.246
  883   2HD2  LEU 110          2HD2      LEU 110 -17.093 -18.434   4.948
  884   3HD2  LEU 110          3HD2      LEU 110 -18.099 -17.063   4.476
  885    H    GLU 111           H        GLU 111 -13.544 -19.120   5.766
  886    HA   GLU 111           HA       GLU 111 -10.692 -18.970   5.582
  887   1HB   GLU 111          1HB       GLU 111 -11.900 -19.711   7.629
  888   2HB   GLU 111          2HB       GLU 111 -12.400 -21.164   6.771
  889   1HG   GLU 111          1HG       GLU 111 -10.480 -21.553   8.232
  890   2HG   GLU 111          2HG       GLU 111 -10.104 -21.862   6.537
  891    H    HIS 112           H        HIS 112  -9.294 -20.310   4.499
  892    HA   HIS 112           HA       HIS 112 -10.558 -21.911   2.367
  893   1HB   HIS 112          1HB       HIS 112  -8.080 -20.198   2.296
  894   2HB   HIS 112          2HB       HIS 112  -8.466 -21.371   1.042
  895    HD1  HIS 112           HD1      HIS 112 -10.435 -20.824  -0.537
  896    HD2  HIS 112           HD2      HIS 112  -9.594 -17.857   2.253
  897    HE1  HIS 112           HE1      HIS 112 -11.688 -18.785  -1.313
  898    HE2  HIS 112           HE2      HIS 112 -11.025 -16.960   0.292
  899    H    HIS 113           H        HIS 113 -10.356 -23.960   2.832
  900    HA   HIS 113           HA       HIS 113  -9.426 -26.012   2.960
  901   1HB   HIS 113          1HB       HIS 113  -7.556 -24.734   1.576
  902   2HB   HIS 113          2HB       HIS 113  -6.621 -25.017   3.043
  903    HD1  HIS 113           HD1      HIS 113  -5.212 -27.027   2.750
  904    HD2  HIS 113           HD2      HIS 113  -8.919 -27.448   0.903
  905    HE1  HIS 113           HE1      HIS 113  -5.223 -29.342   1.757
  906    HE2  HIS 113           HE2      HIS 113  -7.517 -29.616   0.744
  907    H    HIS 114           H        HIS 114  -7.884 -23.601   5.047
  908    HA   HIS 114           HA       HIS 114  -7.219 -25.252   7.198
  909   1HB   HIS 114          1HB       HIS 114  -6.547 -22.928   7.187
  910   2HB   HIS 114          2HB       HIS 114  -8.220 -22.393   7.134
  911    HD1  HIS 114           HD1      HIS 114  -5.500 -23.234   9.456
  912    HD2  HIS 114           HD2      HIS 114  -9.631 -22.769   9.633
  913    HE1  HIS 114           HE1      HIS 114  -6.052 -22.960  11.892
  914    HE2  HIS 114           HE2      HIS 114  -8.520 -22.455  11.947
  915    H    HIS 115           H        HIS 115  -8.407 -26.300   8.706
  916    HA   HIS 115           HA       HIS 115 -11.071 -26.865   7.965
  917   1HB   HIS 115          1HB       HIS 115  -9.290 -27.766  10.175
  918   2HB   HIS 115          2HB       HIS 115 -11.014 -28.127  10.261
  919    HD1  HIS 115           HD1      HIS 115  -7.894 -29.267   8.707
  920    HD2  HIS 115           HD2      HIS 115 -11.972 -29.651   7.987
  921    HE1  HIS 115           HE1      HIS 115  -8.120 -31.153   7.063
  922    HE2  HIS 115           HE2      HIS 115 -10.569 -31.195   6.463
  923    H    HIS 116           H        HIS 116 -12.656 -25.634   8.182
  924    HA   HIS 116           HA       HIS 116 -13.839 -24.913  10.600
  925   1HB   HIS 116          1HB       HIS 116 -12.053 -23.179  10.725
  926   2HB   HIS 116          2HB       HIS 116 -12.569 -22.555   9.162
  927    HD1  HIS 116           HD1      HIS 116 -13.114 -22.132  12.728
  928    HD2  HIS 116           HD2      HIS 116 -15.316 -21.483   9.260
  929    HE1  HIS 116           HE1      HIS 116 -15.002 -20.618  13.396
  930    HE2  HIS 116           HE2      HIS 116 -16.455 -20.472  11.349
  931    H    HIS 117           H        HIS 117 -13.324 -24.235   7.215
  932    HA   HIS 117           HA       HIS 117 -16.006 -23.367   6.699
  933   1HB   HIS 117          1HB       HIS 117 -14.213 -22.539   5.298
  934   2HB   HIS 117          2HB       HIS 117 -13.732 -24.176   4.872
  935    HD1  HIS 117           HD1      HIS 117 -16.879 -22.030   4.507
  936    HD2  HIS 117           HD2      HIS 117 -14.678 -24.913   2.464
  937    HE1  HIS 117           HE1      HIS 117 -18.002 -22.291   2.270
  938    HE2  HIS 117           HE2      HIS 117 -16.556 -23.915   0.995
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1 -17.052   2.876   4.452
    2   2H    MET   1          2H        MET   1 -17.931   4.289   4.758
    3   3H    MET   1          3H        MET   1 -18.680   2.778   4.918
    4    HA   MET   1           HA       MET   1 -16.528   3.898   6.616
    5   1HB   MET   1          1HB       MET   1 -19.379   3.069   7.223
    6   2HB   MET   1          2HB       MET   1 -18.212   3.632   8.412
    7   1HG   MET   1          1HG       MET   1 -18.122   5.800   7.307
    8   2HG   MET   1          2HG       MET   1 -19.277   5.235   6.101
    9   1HE   MET   1          1HE       MET   1 -18.697   6.154   9.865
   10   2HE   MET   1          2HE       MET   1 -19.247   4.482   9.967
   11   3HE   MET   1          3HE       MET   1 -20.268   5.786  10.575
   12    H    THR   2           H        THR   2 -16.292   1.498   5.011
   13    HA   THR   2           HA       THR   2 -16.344  -0.573   7.105
   14    HB   THR   2           HB       THR   2 -16.209  -2.212   5.246
   15    HG1  THR   2           HG1      THR   2 -16.343   0.164   3.668
   16   1HG2  THR   2          1HG2      THR   2 -18.395  -1.629   6.161
   17   2HG2  THR   2          2HG2      THR   2 -18.509  -1.941   4.428
   18   3HG2  THR   2          3HG2      THR   2 -18.523  -0.282   5.030
   19    H    THR   3           H        THR   3 -14.527  -2.332   6.343
   20    HA   THR   3           HA       THR   3 -12.022  -1.133   6.791
   21    HB   THR   3           HB       THR   3 -12.602  -3.847   5.586
   22    HG1  THR   3           HG1      THR   3 -11.891  -3.810   8.228
   23   1HG2  THR   3          1HG2      THR   3 -10.384  -4.434   6.548
   24   2HG2  THR   3          2HG2      THR   3 -10.150  -2.736   6.956
   25   3HG2  THR   3          3HG2      THR   3 -10.293  -3.227   5.265
   26    H    HIS   4           H        HIS   4 -13.786  -1.974   3.900
   27    HA   HIS   4           HA       HIS   4 -11.755  -1.823   1.986
   28   1HB   HIS   4          1HB       HIS   4 -14.618  -0.909   1.629
   29   2HB   HIS   4          2HB       HIS   4 -13.507  -1.395   0.357
   30    HD1  HIS   4           HD1      HIS   4 -16.132  -2.652   2.474
   31    HD2  HIS   4           HD2      HIS   4 -12.808  -4.271   0.582
   32    HE1  HIS   4           HE1      HIS   4 -16.575  -5.121   2.336
   33    HE2  HIS   4           HE2      HIS   4 -14.694  -6.023   0.930
   34    H    ASP   5           H        ASP   5 -13.763   0.681   3.440
   35    HA   ASP   5           HA       ASP   5 -12.838   2.814   1.819
   36   1HB   ASP   5          1HB       ASP   5 -14.043   2.926   4.593
   37   2HB   ASP   5          2HB       ASP   5 -13.881   4.282   3.483
   38    H    ARG   6           H        ARG   6 -11.928   1.622   5.027
   39    HA   ARG   6           HA       ARG   6 -10.006   3.585   5.603
   40   1HB   ARG   6          1HB       ARG   6 -10.352   0.749   6.547
   41   2HB   ARG   6          2HB       ARG   6  -9.035   1.762   7.119
   42   1HG   ARG   6          1HG       ARG   6 -10.645   3.385   7.976
   43   2HG   ARG   6          2HG       ARG   6 -11.972   2.375   7.396
   44   1HD   ARG   6          1HD       ARG   6 -11.371   0.614   8.901
   45   2HD   ARG   6          2HD       ARG   6  -9.892   1.448   9.368
   46    HE   ARG   6           HE       ARG   6 -11.557   3.233  10.216
   47   1HH1  ARG   6          1HH1      ARG   6 -12.118  -0.229  10.237
   48   2HH1  ARG   6          2HH1      ARG   6 -13.088  -0.187  11.678
   49   1HH2  ARG   6          1HH2      ARG   6 -12.826   3.283  12.125
   50   2HH2  ARG   6          2HH2      ARG   6 -13.498   1.804  12.751
   51    H    VAL   7           H        VAL   7  -9.707   0.459   3.949
   52    HA   VAL   7           HA       VAL   7  -6.923   0.517   3.555
   53    HB   VAL   7           HB       VAL   7  -9.074  -0.735   1.831
   54   1HG1  VAL   7          1HG1      VAL   7  -6.096  -1.215   1.810
   55   2HG1  VAL   7          2HG1      VAL   7  -7.029  -0.431   0.538
   56   3HG1  VAL   7          3HG1      VAL   7  -7.294  -2.137   0.902
   57   1HG2  VAL   7          1HG2      VAL   7  -9.020  -1.603   4.105
   58   2HG2  VAL   7          2HG2      VAL   7  -7.289  -1.914   3.960
   59   3HG2  VAL   7          3HG2      VAL   7  -8.434  -2.812   2.962
   60    H    ARG   8           H        ARG   8  -9.583   1.754   1.580
   61    HA   ARG   8           HA       ARG   8  -8.112   2.740  -0.578
   62   1HB   ARG   8          1HB       ARG   8 -10.557   2.561  -0.577
   63   2HB   ARG   8          2HB       ARG   8 -10.661   3.815   0.649
   64   1HG   ARG   8          1HG       ARG   8  -9.665   5.411  -0.948
   65   2HG   ARG   8          2HG       ARG   8  -9.676   4.143  -2.176
   66   1HD   ARG   8          1HD       ARG   8 -12.111   3.956  -1.943
   67   2HD   ARG   8          2HD       ARG   8 -12.088   5.246  -0.742
   68    HE   ARG   8           HE       ARG   8 -10.868   6.173  -3.099
   69   1HH1  ARG   8          1HH1      ARG   8 -14.035   5.277  -1.875
   70   2HH1  ARG   8          2HH1      ARG   8 -14.887   6.312  -2.987
   71   1HH2  ARG   8          1HH2      ARG   8 -11.994   7.536  -4.536
   72   2HH2  ARG   8          2HH2      ARG   8 -13.727   7.592  -4.487
   73    H    LEU   9           H        LEU   9  -9.051   4.300   2.458
   74    HA   LEU   9           HA       LEU   9  -7.919   6.820   1.881
   75   1HB   LEU   9          1HB       LEU   9  -8.449   5.531   4.558
   76   2HB   LEU   9          2HB       LEU   9  -8.116   7.233   4.299
   77    HG   LEU   9           HG       LEU   9 -10.532   5.728   3.289
   78   1HD1  LEU   9          1HD1      LEU   9 -10.613   6.109   5.682
   79   2HD1  LEU   9          2HD1      LEU   9 -11.770   7.151   4.854
   80   3HD1  LEU   9          3HD1      LEU   9 -10.246   7.817   5.443
   81   1HD2  LEU   9          1HD2      LEU   9 -11.349   7.886   2.531
   82   2HD2  LEU   9          2HD2      LEU   9  -9.824   7.489   1.738
   83   3HD2  LEU   9          3HD2      LEU   9  -9.853   8.657   3.059
   84    H    GLN  10           H        GLN  10  -6.603   3.895   3.337
   85    HA   GLN  10           HA       GLN  10  -4.168   5.105   4.179
   86   1HB   GLN  10          1HB       GLN  10  -5.021   2.966   5.112
   87   2HB   GLN  10          2HB       GLN  10  -4.674   2.187   3.572
   88   1HG   GLN  10          1HG       GLN  10  -2.936   1.790   5.270
   89   2HG   GLN  10          2HG       GLN  10  -2.319   2.608   3.834
   90   1HE2  GLN  10          1HE2      GLN  10  -0.579   3.510   4.876
   91   2HE2  GLN  10          2HE2      GLN  10  -0.729   4.794   6.030
   92    H    LEU  11           H        LEU  11  -5.249   3.583   1.204
   93    HA   LEU  11           HA       LEU  11  -2.775   3.495  -0.128
   94   1HB   LEU  11          1HB       LEU  11  -5.529   4.021  -1.253
   95   2HB   LEU  11          2HB       LEU  11  -4.112   3.645  -2.215
   96    HG   LEU  11           HG       LEU  11  -5.381   1.799  -0.190
   97   1HD1  LEU  11          1HD1      LEU  11  -6.795   2.103  -2.140
   98   2HD1  LEU  11          2HD1      LEU  11  -6.061   0.499  -2.155
   99   3HD1  LEU  11          3HD1      LEU  11  -5.428   1.770  -3.204
  100   1HD2  LEU  11          1HD2      LEU  11  -2.984   1.438  -0.380
  101   2HD2  LEU  11          2HD2      LEU  11  -3.120   1.359  -2.137
  102   3HD2  LEU  11          3HD2      LEU  11  -3.870   0.114  -1.138
  103    H    GLN  12           H        GLN  12  -5.089   6.079   0.404
  104    HA   GLN  12           HA       GLN  12  -3.757   8.015  -1.211
  105   1HB   GLN  12          1HB       GLN  12  -5.607   8.484   1.134
  106   2HB   GLN  12          2HB       GLN  12  -5.180   9.654  -0.106
  107   1HG   GLN  12          1HG       GLN  12  -6.271   8.210  -1.786
  108   2HG   GLN  12          2HG       GLN  12  -6.772   7.128  -0.486
  109   1HE2  GLN  12          1HE2      GLN  12  -8.410   8.618  -2.346
  110   2HE2  GLN  12          2HE2      GLN  12  -9.422   9.653  -1.399
  111    H    ALA  13           H        ALA  13  -3.507   6.991   2.139
  112    HA   ALA  13           HA       ALA  13  -1.885   9.107   3.071
  113   1HB   ALA  13          1HB       ALA  13  -3.028   7.579   4.601
  114   2HB   ALA  13          2HB       ALA  13  -1.292   7.616   4.920
  115   3HB   ALA  13          3HB       ALA  13  -2.001   6.254   4.053
  116    H    LEU  14           H        LEU  14  -1.054   5.868   1.859
  117    HA   LEU  14           HA       LEU  14   1.734   6.175   1.914
  118   1HB   LEU  14          1HB       LEU  14   0.598   4.020   1.592
  119   2HB   LEU  14          2HB       LEU  14   0.029   4.546   0.020
  120    HG   LEU  14           HG       LEU  14   2.387   4.678  -0.751
  121   1HD1  LEU  14          1HD1      LEU  14   3.441   5.032   1.429
  122   2HD1  LEU  14          2HD1      LEU  14   4.142   3.651   0.586
  123   3HD1  LEU  14          3HD1      LEU  14   3.003   3.391   1.907
  124   1HD2  LEU  14          1HD2      LEU  14   1.042   2.694  -1.194
  125   2HD2  LEU  14          2HD2      LEU  14   1.528   2.006   0.355
  126   3HD2  LEU  14          3HD2      LEU  14   2.728   2.259  -0.912
  127    H    GLU  15           H        GLU  15  -0.656   6.898  -0.569
  128    HA   GLU  15           HA       GLU  15   1.018   7.731  -2.636
  129   1HB   GLU  15          1HB       GLU  15  -1.431   7.336  -2.799
  130   2HB   GLU  15          2HB       GLU  15  -1.704   8.816  -1.895
  131   1HG   GLU  15          1HG       GLU  15  -0.521  10.043  -3.723
  132   2HG   GLU  15          2HG       GLU  15  -0.520   8.535  -4.640
  133    H    ALA  16           H        ALA  16  -0.461   9.612  -0.014
  134    HA   ALA  16           HA       ALA  16   0.619  12.109  -0.763
  135   1HB   ALA  16          1HB       ALA  16  -0.009  12.849   1.476
  136   2HB   ALA  16          2HB       ALA  16  -0.269  11.174   1.963
  137   3HB   ALA  16          3HB       ALA  16  -1.299  11.904   0.730
  138    H    LEU  17           H        LEU  17   1.796   9.557   1.389
  139    HA   LEU  17           HA       LEU  17   4.034  10.928   2.410
  140   1HB   LEU  17          1HB       LEU  17   3.157   8.783   3.302
  141   2HB   LEU  17          2HB       LEU  17   3.752   7.969   1.865
  142    HG   LEU  17           HG       LEU  17   6.000   9.249   2.798
  143   1HD1  LEU  17          1HD1      LEU  17   6.149   8.691   5.174
  144   2HD1  LEU  17          2HD1      LEU  17   4.452   8.210   5.166
  145   3HD1  LEU  17          3HD1      LEU  17   4.894   9.890   4.863
  146   1HD2  LEU  17          1HD2      LEU  17   6.677   6.982   3.541
  147   2HD2  LEU  17          2HD2      LEU  17   5.976   7.026   1.924
  148   3HD2  LEU  17          3HD2      LEU  17   5.015   6.445   3.286
  149    H    LEU  18           H        LEU  18   3.606   8.885  -0.447
  150    HA   LEU  18           HA       LEU  18   6.262   8.929  -1.350
  151   1HB   LEU  18          1HB       LEU  18   3.693   8.695  -2.918
  152   2HB   LEU  18          2HB       LEU  18   5.288   8.407  -3.585
  153    HG   LEU  18           HG       LEU  18   4.003   6.814  -1.364
  154   1HD1  LEU  18          1HD1      LEU  18   4.549   6.102  -4.243
  155   2HD1  LEU  18          2HD1      LEU  18   2.964   6.413  -3.532
  156   3HD1  LEU  18          3HD1      LEU  18   3.906   5.015  -3.010
  157   1HD2  LEU  18          1HD2      LEU  18   6.429   6.935  -1.129
  158   2HD2  LEU  18          2HD2      LEU  18   6.624   6.412  -2.802
  159   3HD2  LEU  18          3HD2      LEU  18   5.918   5.318  -1.614
  160    H    ARG  19           H        ARG  19   3.560  11.131  -1.901
  161    HA   ARG  19           HA       ARG  19   4.800  12.841  -3.748
  162   1HB   ARG  19          1HB       ARG  19   2.418  12.992  -3.314
  163   2HB   ARG  19          2HB       ARG  19   2.714  13.438  -1.638
  164   1HG   ARG  19          1HG       ARG  19   3.891  15.488  -2.509
  165   2HG   ARG  19          2HG       ARG  19   3.272  15.062  -4.105
  166   1HD   ARG  19          1HD       ARG  19   0.999  15.232  -3.318
  167   2HD   ARG  19          2HD       ARG  19   1.554  15.503  -1.667
  168    HE   ARG  19           HE       ARG  19   1.543  17.414  -3.856
  169   1HH1  ARG  19          1HH1      ARG  19   2.539  16.662  -0.577
  170   2HH1  ARG  19          2HH1      ARG  19   2.894  18.319  -0.177
  171   1HH2  ARG  19          1HH2      ARG  19   1.997  19.607  -3.299
  172   2HH2  ARG  19          2HH2      ARG  19   2.603  19.975  -1.709
  173    H    GLU  20           H        GLU  20   4.580  13.085  -0.200
  174    HA   GLU  20           HA       GLU  20   5.989  15.468   0.107
  175   1HB   GLU  20          1HB       GLU  20   5.867  13.116   1.998
  176   2HB   GLU  20          2HB       GLU  20   6.403  14.733   2.429
  177   1HG   GLU  20          1HG       GLU  20   4.137  15.558   1.769
  178   2HG   GLU  20          2HG       GLU  20   3.646  13.870   1.611
  179    H    HIS  21           H        HIS  21   7.199  12.129   0.099
  180    HA   HIS  21           HA       HIS  21   9.907  13.147   0.499
  181   1HB   HIS  21          1HB       HIS  21   8.887  10.298   0.469
  182   2HB   HIS  21          2HB       HIS  21  10.527  10.797   0.878
  183    HD1  HIS  21           HD1      HIS  21  10.702  12.392   3.074
  184    HD2  HIS  21           HD2      HIS  21   7.138  10.315   2.566
  185    HE1  HIS  21           HE1      HIS  21   9.516  12.529   5.284
  186    HE2  HIS  21           HE2      HIS  21   7.260  11.490   4.865
  187    H    GLN  22           H        GLN  22   8.124  13.077  -2.045
  188    HA   GLN  22           HA       GLN  22   8.535  13.229  -4.262
  189   1HB   GLN  22          1HB       GLN  22  11.427  13.295  -3.395
  190   2HB   GLN  22          2HB       GLN  22  10.791  13.848  -4.938
  191   1HG   GLN  22          1HG       GLN  22   9.468  15.549  -3.764
  192   2HG   GLN  22          2HG       GLN  22  10.170  15.014  -2.237
  193   1HE2  GLN  22          1HE2      GLN  22  10.298  17.602  -3.491
  194   2HE2  GLN  22          2HE2      GLN  22  11.977  17.956  -3.739
  195    H    HIS  23           H        HIS  23   8.152  10.610  -3.382
  196    HA   HIS  23           HA       HIS  23   9.817   9.178  -5.352
  197   1HB   HIS  23          1HB       HIS  23   8.381   8.183  -2.897
  198   2HB   HIS  23          2HB       HIS  23   8.840   7.088  -4.196
  199    HD1  HIS  23           HD1      HIS  23  11.303   6.467  -4.416
  200    HD2  HIS  23           HD2      HIS  23  10.544   9.251  -1.416
  201    HE1  HIS  23           HE1      HIS  23  13.433   6.629  -3.079
  202    HE2  HIS  23           HE2      HIS  23  13.006   8.467  -1.399
  203    H    TRP  24           H        TRP  24   7.090  10.803  -5.144
  204    HA   TRP  24           HA       TRP  24   5.389   8.890  -6.545
  205   1HB   TRP  24          1HB       TRP  24   4.483  10.275  -4.656
  206   2HB   TRP  24          2HB       TRP  24   4.731  11.701  -5.650
  207    HD1  TRP  24           HD1      TRP  24   2.549  12.484  -6.695
  208    HE1  TRP  24           HE1      TRP  24   0.421  11.367  -7.623
  209    HE3  TRP  24           HE3      TRP  24   3.774   7.591  -5.851
  210    HZ2  TRP  24           HZ2      TRP  24  -0.595   8.755  -7.957
  211    HZ3  TRP  24           HZ3      TRP  24   2.170   5.843  -6.509
  212    HH2  TRP  24           HH2      TRP  24   0.031   6.413  -7.540
  213    H    ARG  25           H        ARG  25   6.562   8.828  -8.493
  214    HA   ARG  25           HA       ARG  25   6.616  11.271 -10.091
  215   1HB   ARG  25          1HB       ARG  25   7.705   8.498 -10.509
  216   2HB   ARG  25          2HB       ARG  25   7.599   9.643 -11.836
  217   1HG   ARG  25          1HG       ARG  25   9.015  11.204 -10.562
  218   2HG   ARG  25          2HG       ARG  25   9.168   9.984  -9.294
  219   1HD   ARG  25          1HD       ARG  25  11.087  10.009 -10.861
  220   2HD   ARG  25          2HD       ARG  25  10.245   8.462 -10.810
  221    HE   ARG  25           HE       ARG  25   9.290  10.184 -12.903
  222   1HH1  ARG  25          1HH1      ARG  25  11.760   7.853 -12.022
  223   2HH1  ARG  25          2HH1      ARG  25  12.097   7.390 -13.671
  224   1HH2  ARG  25          1HH2      ARG  25   9.713   9.547 -15.080
  225   2HH2  ARG  25          2HH2      ARG  25  10.947   8.368 -15.398
  226    H    ASN  26           H        ASN  26   5.110  11.740 -11.584
  227    HA   ASN  26           HA       ASN  26   2.951   9.835 -12.019
  228   1HB   ASN  26          1HB       ASN  26   2.616  12.358 -11.659
  229   2HB   ASN  26          2HB       ASN  26   3.216  12.559 -13.302
  230   1HD2  ASN  26          1HD2      ASN  26   1.976  11.731 -15.042
  231   2HD2  ASN  26          2HD2      ASN  26   0.286  11.408 -14.848
  232    H    ASP  27           H        ASP  27   4.320   8.289 -13.113
  233    HA   ASP  27           HA       ASP  27   4.879   9.005 -15.905
  234   1HB   ASP  27          1HB       ASP  27   6.908   8.984 -14.195
  235   2HB   ASP  27          2HB       ASP  27   6.801   7.244 -14.431
  236    H    GLU  28           H        GLU  28   5.398   6.919 -17.170
  237    HA   GLU  28           HA       GLU  28   3.468   4.877 -16.279
  238   1HB   GLU  28          1HB       GLU  28   4.176   5.649 -19.118
  239   2HB   GLU  28          2HB       GLU  28   3.040   4.394 -18.650
  240   1HG   GLU  28          1HG       GLU  28   1.660   6.160 -19.184
  241   2HG   GLU  28          2HG       GLU  28   1.787   6.291 -17.432
  242    HA   PRO  29           HA       PRO  29   7.227   2.397 -16.118
  243   1HB   PRO  29          1HB       PRO  29   5.288   0.327 -15.297
  244   2HB   PRO  29          2HB       PRO  29   6.733   0.909 -14.465
  245   1HG   PRO  29          1HG       PRO  29   4.285   1.534 -13.593
  246   2HG   PRO  29          2HG       PRO  29   5.620   2.702 -13.510
  247   1HD   PRO  29          1HD       PRO  29   3.362   2.540 -15.475
  248   2HD   PRO  29          2HD       PRO  29   4.077   3.967 -14.695
  249    H    GLN  30           H        GLN  30   7.707   0.073 -16.874
  250    HA   GLN  30           HA       GLN  30   6.849   0.001 -19.650
  251   1HB   GLN  30          1HB       GLN  30   8.975  -1.591 -18.209
  252   2HB   GLN  30          2HB       GLN  30   8.679  -1.622 -19.942
  253   1HG   GLN  30          1HG       GLN  30   9.249   0.754 -20.077
  254   2HG   GLN  30          2HG       GLN  30   9.564   0.769 -18.342
  255   1HE2  GLN  30          1HE2      GLN  30  10.375  -1.915 -20.409
  256   2HE2  GLN  30          2HE2      GLN  30  12.093  -1.733 -20.309
  257    HA   PRO  31           HA       PRO  31   3.889  -3.217 -19.206
  258   1HB   PRO  31          1HB       PRO  31   4.208  -4.398 -21.676
  259   2HB   PRO  31          2HB       PRO  31   3.244  -2.950 -21.369
  260   1HG   PRO  31          1HG       PRO  31   6.031  -3.186 -22.422
  261   2HG   PRO  31          2HG       PRO  31   4.729  -2.090 -22.925
  262   1HD   PRO  31          1HD       PRO  31   6.741  -1.255 -21.361
  263   2HD   PRO  31          2HD       PRO  31   5.086  -0.650 -21.143
  264    H    HIS  32           H        HIS  32   7.134  -4.048 -20.347
  265    HA   HIS  32           HA       HIS  32   6.891  -6.850 -20.064
  266   1HB   HIS  32          1HB       HIS  32   8.683  -5.646 -21.357
  267   2HB   HIS  32          2HB       HIS  32   9.432  -5.228 -19.821
  268    HD1  HIS  32           HD1      HIS  32   8.512  -8.292 -21.855
  269    HD2  HIS  32           HD2      HIS  32  11.122  -7.133 -18.830
  270    HE1  HIS  32           HE1      HIS  32  10.054 -10.244 -21.504
  271    HE2  HIS  32           HE2      HIS  32  11.745  -9.445 -19.819
  272    H    GLN  33           H        GLN  33   7.466  -4.301 -17.809
  273    HA   GLN  33           HA       GLN  33   8.567  -5.882 -15.715
  274   1HB   GLN  33          1HB       GLN  33   7.127  -3.222 -15.588
  275   2HB   GLN  33          2HB       GLN  33   8.115  -3.919 -14.309
  276   1HG   GLN  33          1HG       GLN  33  10.087  -3.738 -15.639
  277   2HG   GLN  33          2HG       GLN  33   9.151  -3.257 -17.052
  278   1HE2  GLN  33          1HE2      GLN  33  11.347  -1.890 -15.757
  279   2HE2  GLN  33          2HE2      GLN  33  10.747  -0.337 -15.277
  280    H    PHE  34           H        PHE  34   5.327  -4.929 -16.678
  281    HA   PHE  34           HA       PHE  34   4.057  -6.106 -14.380
  282   1HB   PHE  34          1HB       PHE  34   2.813  -5.324 -17.026
  283   2HB   PHE  34          2HB       PHE  34   1.964  -5.620 -15.514
  284    HD1  PHE  34           HD1      PHE  34   2.993  -4.115 -13.496
  285    HD2  PHE  34           HD2      PHE  34   3.020  -3.145 -17.636
  286    HE1  PHE  34           HE1      PHE  34   3.162  -1.728 -12.930
  287    HE2  PHE  34           HE2      PHE  34   3.194  -0.755 -17.080
  288    HZ   PHE  34           HZ       PHE  34   3.264  -0.044 -14.723
  289    H    ASN  35           H        ASN  35   5.028  -7.088 -17.543
  290    HA   ASN  35           HA       ASN  35   3.345  -9.367 -17.818
  291   1HB   ASN  35          1HB       ASN  35   4.408  -8.182 -19.725
  292   2HB   ASN  35          2HB       ASN  35   5.982  -8.749 -19.181
  293   1HD2  ASN  35          1HD2      ASN  35   6.369  -9.817 -21.094
  294   2HD2  ASN  35          2HD2      ASN  35   5.562 -11.290 -21.527
  295    H    SER  36           H        SER  36   6.064  -8.817 -15.868
  296    HA   SER  36           HA       SER  36   7.159 -11.387 -15.705
  297   1HB   SER  36          1HB       SER  36   7.785 -10.750 -13.378
  298   2HB   SER  36          2HB       SER  36   8.185  -9.496 -14.553
  299    HG   SER  36           HG       SER  36   6.887  -8.190 -13.552
  300    H    THR  37           H        THR  37   4.280  -9.953 -14.321
  301    HA   THR  37           HA       THR  37   2.352 -10.832 -13.538
  302    HB   THR  37           HB       THR  37   3.261 -13.428 -14.789
  303    HG1  THR  37           HG1      THR  37   3.456 -11.794 -16.333
  304   1HG2  THR  37          1HG2      THR  37   1.209 -13.584 -13.443
  305   2HG2  THR  37          2HG2      THR  37   0.863 -13.785 -15.161
  306   3HG2  THR  37          3HG2      THR  37   0.508 -12.253 -14.363
  307    H    GLN  38           H        GLN  38   4.758 -10.931 -11.871
  308    HA   GLN  38           HA       GLN  38   3.947 -13.122 -10.080
  309   1HB   GLN  38          1HB       GLN  38   6.548 -11.568 -10.041
  310   2HB   GLN  38          2HB       GLN  38   6.134 -12.930  -9.007
  311   1HG   GLN  38          1HG       GLN  38   5.846 -14.235 -11.201
  312   2HG   GLN  38          2HG       GLN  38   6.745 -12.910 -11.935
  313   1HE2  GLN  38          1HE2      GLN  38   8.310 -12.562  -9.424
  314   2HE2  GLN  38          2HE2      GLN  38   9.468 -13.842  -9.441
  315    HA   PRO  39           HA       PRO  39   1.915 -10.632  -7.232
  316   1HB   PRO  39          1HB       PRO  39   3.892 -11.371  -5.124
  317   2HB   PRO  39          2HB       PRO  39   2.126 -11.461  -5.096
  318   1HG   PRO  39          1HG       PRO  39   3.570 -13.657  -5.449
  319   2HG   PRO  39          2HG       PRO  39   2.072 -13.406  -6.364
  320   1HD   PRO  39          1HD       PRO  39   4.907 -13.163  -7.260
  321   2HD   PRO  39          2HD       PRO  39   3.485 -13.734  -8.155
  322    H    PHE  40           H        PHE  40   5.407 -10.282  -6.810
  323    HA   PHE  40           HA       PHE  40   5.000  -7.394  -6.393
  324   1HB   PHE  40          1HB       PHE  40   7.169  -9.185  -5.278
  325   2HB   PHE  40          2HB       PHE  40   7.158  -7.433  -5.130
  326    HD1  PHE  40           HD1      PHE  40   5.523 -10.548  -4.069
  327    HD2  PHE  40           HD2      PHE  40   5.757  -6.331  -3.544
  328    HE1  PHE  40           HE1      PHE  40   4.216 -10.738  -1.994
  329    HE2  PHE  40           HE2      PHE  40   4.449  -6.516  -1.468
  330    HZ   PHE  40           HZ       PHE  40   3.681  -8.722  -0.691
  331    H    PHE  41           H        PHE  41   5.439  -9.071  -8.856
  332    HA   PHE  41           HA       PHE  41   6.639  -9.095 -10.790
  333   1HB   PHE  41          1HB       PHE  41   7.386  -6.317  -9.851
  334   2HB   PHE  41          2HB       PHE  41   7.633  -6.930 -11.482
  335    HD1  PHE  41           HD2      PHE  41   5.081  -8.432 -11.837
  336    HD2  PHE  41           HD1      PHE  41   5.858  -4.584 -10.202
  337    HE1  PHE  41           HE2      PHE  41   2.806  -7.723 -12.443
  338    HE2  PHE  41           HE1      PHE  41   3.583  -3.868 -10.804
  339    HZ   PHE  41           HZ       PHE  41   2.054  -5.436 -11.927
  340    H    MET  42           H        MET  42   7.942 -10.167  -8.461
  341    HA   MET  42           HA       MET  42  10.519  -9.407  -7.937
  342   1HB   MET  42          1HB       MET  42   9.571 -12.267  -8.140
  343   2HB   MET  42          2HB       MET  42  10.932 -11.680  -7.195
  344   1HG   MET  42          1HG       MET  42   9.465 -10.488  -5.720
  345   2HG   MET  42          2HG       MET  42   8.073 -10.875  -6.734
  346   1HE   MET  42          1HE       MET  42   7.460 -12.990  -3.473
  347   2HE   MET  42          2HE       MET  42   6.796 -11.764  -4.554
  348   3HE   MET  42          3HE       MET  42   8.212 -11.398  -3.568
  349    H    ASP  43           H        ASP  43   9.367 -11.084 -10.766
  350    HA   ASP  43           HA       ASP  43  11.845 -12.184 -11.590
  351   1HB   ASP  43          1HB       ASP  43   9.623 -12.989 -12.374
  352   2HB   ASP  43          2HB       ASP  43   9.447 -11.501 -13.295
  353    H    THR  44           H        THR  44  10.221  -9.120 -12.188
  354    HA   THR  44           HA       THR  44  12.536  -8.216 -13.756
  355    HB   THR  44           HB       THR  44  11.068  -6.253 -14.329
  356    HG1  THR  44           HG1      THR  44   9.403  -6.119 -13.006
  357   1HG2  THR  44          1HG2      THR  44   9.740  -7.451 -15.980
  358   2HG2  THR  44          2HG2      THR  44   9.963  -8.958 -15.090
  359   3HG2  THR  44          3HG2      THR  44  11.346  -8.171 -15.849
  360    H    MET  45           H        MET  45  11.865  -8.505 -10.744
  361    HA   MET  45           HA       MET  45  12.746  -7.606  -8.855
  362   1HB   MET  45          1HB       MET  45  13.409  -5.178 -10.514
  363   2HB   MET  45          2HB       MET  45  13.828  -5.383  -8.820
  364   1HG   MET  45          1HG       MET  45  14.818  -7.037 -11.132
  365   2HG   MET  45          2HG       MET  45  15.737  -5.846 -10.217
  366   1HE   MET  45          1HE       MET  45  15.953  -7.579  -6.690
  367   2HE   MET  45          2HE       MET  45  14.722  -6.447  -7.251
  368   3HE   MET  45          3HE       MET  45  16.420  -6.170  -7.643
  369    H    GLU  46           H        GLU  46  11.750  -4.486 -10.104
  370    HA   GLU  46           HA       GLU  46  10.396  -2.927  -9.109
  371   1HB   GLU  46          1HB       GLU  46   8.717  -5.175 -10.084
  372   2HB   GLU  46          2HB       GLU  46   7.924  -3.892  -9.181
  373   1HG   GLU  46          1HG       GLU  46   7.850  -3.557 -11.618
  374   2HG   GLU  46          2HG       GLU  46   8.656  -2.245 -10.760
  375    HA   PRO  47           HA       PRO  47   9.866  -5.011  -4.937
  376   1HB   PRO  47          1HB       PRO  47  11.904  -3.883  -3.562
  377   2HB   PRO  47          2HB       PRO  47  12.075  -5.387  -4.470
  378   1HG   PRO  47          1HG       PRO  47  12.941  -2.632  -5.181
  379   2HG   PRO  47          2HG       PRO  47  13.728  -4.182  -5.517
  380   1HD   PRO  47          1HD       PRO  47  12.236  -2.736  -7.343
  381   2HD   PRO  47          2HD       PRO  47  12.567  -4.475  -7.454
  382    H    LEU  48           H        LEU  48  11.189  -1.684  -5.234
  383    HA   LEU  48           HA       LEU  48   9.327  -0.807  -3.161
  384   1HB   LEU  48          1HB       LEU  48  11.654  -0.121  -2.955
  385   2HB   LEU  48          2HB       LEU  48  11.604   0.615  -4.544
  386    HG   LEU  48           HG       LEU  48   9.965   2.267  -3.708
  387   1HD1  LEU  48          1HD1      LEU  48   9.559   2.466  -1.314
  388   2HD1  LEU  48          2HD1      LEU  48  10.482   0.991  -1.027
  389   3HD1  LEU  48          3HD1      LEU  48   8.970   0.923  -1.930
  390   1HD2  LEU  48          1HD2      LEU  48  12.341   2.799  -3.722
  391   2HD2  LEU  48          2HD2      LEU  48  12.519   2.096  -2.113
  392   3HD2  LEU  48          3HD2      LEU  48  11.537   3.545  -2.340
  393    H    GLU  49           H        GLU  49  10.036  -0.315  -6.557
  394    HA   GLU  49           HA       GLU  49   8.173   1.838  -6.883
  395   1HB   GLU  49          1HB       GLU  49   9.602   0.109  -8.910
  396   2HB   GLU  49          2HB       GLU  49   8.676   1.555  -9.300
  397   1HG   GLU  49          1HG       GLU  49  10.196   2.945  -8.108
  398   2HG   GLU  49          2HG       GLU  49  11.030   1.550  -7.428
  399    H    TRP  50           H        TRP  50   7.598  -1.230  -6.184
  400    HA   TRP  50           HA       TRP  50   5.475  -1.900  -7.974
  401   1HB   TRP  50          1HB       TRP  50   6.745  -3.580  -6.675
  402   2HB   TRP  50          2HB       TRP  50   6.099  -2.906  -5.185
  403    HD1  TRP  50           HD1      TRP  50   4.753  -4.600  -8.404
  404    HE1  TRP  50           HE1      TRP  50   2.706  -6.013  -7.745
  405    HE3  TRP  50           HE3      TRP  50   4.494  -3.383  -3.448
  406    HZ2  TRP  50           HZ2      TRP  50   1.182  -6.539  -5.426
  407    HZ3  TRP  50           HZ3      TRP  50   2.718  -4.387  -2.078
  408    HH2  TRP  50           HH2      TRP  50   1.094  -5.929  -3.047
  409    H    LEU  51           H        LEU  51   5.815   0.027  -5.124
  410    HA   LEU  51           HA       LEU  51   3.109   0.087  -4.293
  411   1HB   LEU  51          1HB       LEU  51   5.308   2.126  -3.923
  412   2HB   LEU  51          2HB       LEU  51   3.765   2.161  -3.093
  413    HG   LEU  51           HG       LEU  51   5.829  -0.025  -2.814
  414   1HD1  LEU  51          1HD1      LEU  51   6.182   0.904  -0.574
  415   2HD1  LEU  51          2HD1      LEU  51   5.081   2.228  -0.953
  416   3HD1  LEU  51          3HD1      LEU  51   6.600   2.063  -1.834
  417   1HD2  LEU  51          1HD2      LEU  51   3.241   0.477  -1.348
  418   2HD2  LEU  51          2HD2      LEU  51   4.428  -0.765  -0.946
  419   3HD2  LEU  51          3HD2      LEU  51   3.565  -0.835  -2.482
  420    H    GLN  52           H        GLN  52   5.039   2.282  -6.299
  421    HA   GLN  52           HA       GLN  52   2.804   4.012  -6.796
  422   1HB   GLN  52          1HB       GLN  52   4.445   5.107  -8.417
  423   2HB   GLN  52          2HB       GLN  52   4.867   5.128  -6.710
  424   1HG   GLN  52          1HG       GLN  52   6.429   3.332  -7.020
  425   2HG   GLN  52          2HG       GLN  52   5.931   3.137  -8.699
  426   1HE2  GLN  52          1HE2      GLN  52   5.753   5.963  -9.236
  427   2HE2  GLN  52          2HE2      GLN  52   7.375   6.550  -9.323
  428    H    TRP  53           H        TRP  53   1.348   3.835  -8.300
  429    HA   TRP  53           HA       TRP  53   0.308   3.497 -10.268
  430   1HB   TRP  53          1HB       TRP  53   3.106   2.949 -11.235
  431   2HB   TRP  53          2HB       TRP  53   1.699   2.922 -12.299
  432    HD1  TRP  53           HD1      TRP  53   4.065   5.283 -10.553
  433    HE1  TRP  53           HE1      TRP  53   3.497   7.706 -11.203
  434    HE3  TRP  53           HE3      TRP  53  -0.367   4.452 -12.957
  435    HZ2  TRP  53           HZ2      TRP  53   1.439   9.080 -12.563
  436    HZ3  TRP  53           HZ3      TRP  53  -1.572   6.375 -13.905
  437    HH2  TRP  53           HH2      TRP  53  -0.686   8.642 -13.710
  438    H    VAL  54           H        VAL  54   1.707   1.032  -8.535
  439    HA   VAL  54           HA       VAL  54   0.153  -0.878 -10.149
  440    HB   VAL  54           HB       VAL  54   2.371  -1.642  -8.251
  441   1HG1  VAL  54          1HG1      VAL  54   0.593  -3.309  -8.569
  442   2HG1  VAL  54          2HG1      VAL  54   2.124  -3.845  -9.267
  443   3HG1  VAL  54          3HG1      VAL  54   0.843  -3.232 -10.313
  444   1HG2  VAL  54          1HG2      VAL  54   3.707  -2.133 -10.238
  445   2HG2  VAL  54          2HG2      VAL  54   3.279  -0.422 -10.174
  446   3HG2  VAL  54          3HG2      VAL  54   2.419  -1.507 -11.267
  447    H    LEU  55           H        LEU  55   1.371  -0.978  -6.800
  448    HA   LEU  55           HA       LEU  55  -0.735  -2.486  -5.830
  449   1HB   LEU  55          1HB       LEU  55   1.395  -2.154  -4.649
  450   2HB   LEU  55          2HB       LEU  55   0.930  -0.502  -4.288
  451    HG   LEU  55           HG       LEU  55  -0.976  -1.350  -2.961
  452   1HD1  LEU  55          1HD1      LEU  55  -1.368  -3.441  -4.067
  453   2HD1  LEU  55          2HD1      LEU  55  -1.025  -3.733  -2.361
  454   3HD1  LEU  55          3HD1      LEU  55   0.216  -4.038  -3.576
  455   1HD2  LEU  55          1HD2      LEU  55   1.109  -0.814  -1.838
  456   2HD2  LEU  55          2HD2      LEU  55   1.710  -2.444  -2.149
  457   3HD2  LEU  55          3HD2      LEU  55   0.331  -2.203  -1.077
  458    H    ILE  56           H        ILE  56  -0.388   1.042  -5.772
  459    HA   ILE  56           HA       ILE  56  -2.648   1.591  -4.235
  460    HB   ILE  56           HB       ILE  56  -1.384   3.332  -6.355
  461   1HG1  ILE  56          1HG1      ILE  56  -0.958   3.170  -3.362
  462   2HG1  ILE  56          2HG1      ILE  56   0.179   2.645  -4.599
  463   1HG2  ILE  56          1HG2      ILE  56  -3.626   4.099  -5.823
  464   2HG2  ILE  56          2HG2      ILE  56  -2.426   5.202  -5.152
  465   3HG2  ILE  56          3HG2      ILE  56  -3.254   4.052  -4.101
  466   1HD1  ILE  56          1HD1      ILE  56   0.374   4.960  -5.377
  467   2HD1  ILE  56          2HD1      ILE  56   0.840   4.776  -3.686
  468   3HD1  ILE  56          3HD1      ILE  56  -0.728   5.469  -4.097
  469    HA   PRO  57           HA       PRO  57  -5.315   2.272  -8.217
  470   1HB   PRO  57          1HB       PRO  57  -4.304   1.236 -10.554
  471   2HB   PRO  57          2HB       PRO  57  -4.186   2.932 -10.080
  472   1HG   PRO  57          1HG       PRO  57  -2.157   0.755  -9.859
  473   2HG   PRO  57          2HG       PRO  57  -1.939   2.458 -10.307
  474   1HD   PRO  57          1HD       PRO  57  -1.317   1.530  -7.856
  475   2HD   PRO  57          2HD       PRO  57  -1.954   3.167  -8.110
  476    H    ARG  58           H        ARG  58  -3.248  -0.577  -8.093
  477    HA   ARG  58           HA       ARG  58  -5.004  -2.491  -9.108
  478   1HB   ARG  58          1HB       ARG  58  -2.603  -2.856  -8.626
  479   2HB   ARG  58          2HB       ARG  58  -2.968  -2.847  -6.910
  480   1HG   ARG  58          1HG       ARG  58  -4.160  -4.880  -7.053
  481   2HG   ARG  58          2HG       ARG  58  -4.186  -4.821  -8.819
  482   1HD   ARG  58          1HD       ARG  58  -1.775  -5.081  -8.887
  483   2HD   ARG  58          2HD       ARG  58  -1.700  -5.054  -7.128
  484    HE   ARG  58           HE       ARG  58  -2.839  -7.198  -7.124
  485   1HH1  ARG  58          1HH1      ARG  58  -1.660  -6.117 -10.244
  486   2HH1  ARG  58          2HH1      ARG  58  -1.382  -7.726 -10.848
  487   1HH2  ARG  58          1HH2      ARG  58  -2.493  -9.323  -7.925
  488   2HH2  ARG  58          2HH2      ARG  58  -1.863  -9.546  -9.530
  489    H    MET  59           H        MET  59  -4.575  -1.269  -5.812
  490    HA   MET  59           HA       MET  59  -6.688  -2.944  -4.794
  491   1HB   MET  59          1HB       MET  59  -4.941  -0.844  -3.552
  492   2HB   MET  59          2HB       MET  59  -6.302  -1.545  -2.683
  493   1HG   MET  59          1HG       MET  59  -5.338  -3.774  -3.006
  494   2HG   MET  59          2HG       MET  59  -3.957  -3.043  -3.822
  495   1HE   MET  59          1HE       MET  59  -4.088  -5.006  -1.113
  496   2HE   MET  59          2HE       MET  59  -2.657  -4.337  -0.328
  497   3HE   MET  59          3HE       MET  59  -2.663  -4.608  -2.071
  498    H    HIS  60           H        HIS  60  -6.388   0.349  -5.940
  499    HA   HIS  60           HA       HIS  60  -8.790   1.350  -4.885
  500   1HB   HIS  60          1HB       HIS  60  -7.101   2.059  -7.235
  501   2HB   HIS  60          2HB       HIS  60  -8.744   2.687  -7.195
  502    HD1  HIS  60           HD1      HIS  60  -9.240   4.595  -5.583
  503    HD2  HIS  60           HD2      HIS  60  -5.404   3.045  -5.171
  504    HE1  HIS  60           HE1      HIS  60  -8.007   6.214  -4.107
  505    HE2  HIS  60           HE2      HIS  60  -5.634   5.374  -4.059
  506    H    ASP  61           H        ASP  61  -8.131  -0.545  -7.782
  507    HA   ASP  61           HA       ASP  61 -10.845  -0.600  -8.679
  508   1HB   ASP  61          1HB       ASP  61  -8.819  -1.034 -10.113
  509   2HB   ASP  61          2HB       ASP  61  -8.651  -2.587  -9.302
  510    H    LEU  62           H        LEU  62  -8.774  -2.756  -6.825
  511    HA   LEU  62           HA       LEU  62 -10.399  -4.944  -6.415
  512   1HB   LEU  62          1HB       LEU  62  -8.063  -4.781  -5.690
  513   2HB   LEU  62          2HB       LEU  62  -8.508  -3.605  -4.472
  514    HG   LEU  62           HG       LEU  62 -10.043  -5.561  -3.597
  515   1HD1  LEU  62          1HD1      LEU  62  -9.575  -7.085  -5.445
  516   2HD1  LEU  62          2HD1      LEU  62  -9.020  -7.752  -3.909
  517   3HD1  LEU  62          3HD1      LEU  62  -7.859  -7.057  -5.040
  518   1HD2  LEU  62          1HD2      LEU  62  -8.244  -6.231  -2.100
  519   2HD2  LEU  62          2HD2      LEU  62  -8.231  -4.487  -2.358
  520   3HD2  LEU  62          3HD2      LEU  62  -7.057  -5.509  -3.185
  521    H    LEU  63           H        LEU  63 -10.196  -2.016  -4.405
  522    HA   LEU  63           HA       LEU  63 -12.175  -2.875  -2.561
  523   1HB   LEU  63          1HB       LEU  63 -11.122  -0.101  -3.096
  524   2HB   LEU  63          2HB       LEU  63 -12.022  -0.600  -1.677
  525    HG   LEU  63           HG       LEU  63  -9.346  -1.768  -2.430
  526   1HD1  LEU  63          1HD1      LEU  63  -9.104   0.618  -2.028
  527   2HD1  LEU  63          2HD1      LEU  63  -8.400  -0.319  -0.709
  528   3HD1  LEU  63          3HD1      LEU  63  -9.972   0.458  -0.500
  529   1HD2  LEU  63          1HD2      LEU  63  -9.332  -2.529  -0.108
  530   2HD2  LEU  63          2HD2      LEU  63 -10.727  -3.171  -0.977
  531   3HD2  LEU  63          3HD2      LEU  63 -10.929  -1.821   0.140
  532    H    ASP  64           H        ASP  64 -12.245  -0.781  -5.398
  533    HA   ASP  64           HA       ASP  64 -14.840   0.257  -4.971
  534   1HB   ASP  64          1HB       ASP  64 -13.231   1.329  -6.478
  535   2HB   ASP  64          2HB       ASP  64 -13.309  -0.059  -7.560
  536    H    ASN  65           H        ASN  65 -13.665  -2.661  -6.503
  537    HA   ASN  65           HA       ASN  65 -16.355  -3.311  -7.456
  538   1HB   ASN  65          1HB       ASN  65 -13.659  -4.565  -7.967
  539   2HB   ASN  65          2HB       ASN  65 -15.166  -5.311  -8.487
  540   1HD2  ASN  65          1HD2      ASN  65 -12.911  -2.751  -8.996
  541   2HD2  ASN  65          2HD2      ASN  65 -13.578  -2.180 -10.491
  542    H    LYS  66           H        LYS  66 -15.440  -3.333  -4.601
  543    HA   LYS  66           HA       LYS  66 -16.023  -4.467  -2.729
  544   1HB   LYS  66          1HB       LYS  66 -17.299  -6.438  -4.634
  545   2HB   LYS  66          2HB       LYS  66 -17.483  -6.462  -2.886
  546   1HG   LYS  66          1HG       LYS  66 -18.655  -4.383  -2.908
  547   2HG   LYS  66          2HG       LYS  66 -18.301  -4.142  -4.620
  548   1HD   LYS  66          1HD       LYS  66 -19.653  -6.093  -5.185
  549   2HD   LYS  66          2HD       LYS  66 -19.976  -6.377  -3.474
  550   1HE   LYS  66          1HE       LYS  66 -20.744  -3.869  -4.961
  551   2HE   LYS  66          2HE       LYS  66 -21.830  -5.228  -4.678
  552   1HZ   LYS  66          1HZ       LYS  66 -22.170  -3.512  -3.037
  553   2HZ   LYS  66          2HZ       LYS  66 -20.537  -3.557  -2.586
  554   3HZ   LYS  66          3HZ       LYS  66 -21.536  -4.898  -2.290
  555    H    GLN  67           H        GLN  67 -15.667  -7.318  -4.756
  556    HA   GLN  67           HA       GLN  67 -14.182  -9.020  -4.833
  557   1HB   GLN  67          1HB       GLN  67 -12.321  -6.986  -3.602
  558   2HB   GLN  67          2HB       GLN  67 -11.815  -8.581  -4.139
  559   1HG   GLN  67          1HG       GLN  67 -13.054  -6.478  -5.896
  560   2HG   GLN  67          2HG       GLN  67 -11.329  -6.806  -5.770
  561   1HE2  GLN  67          1HE2      GLN  67 -13.033  -6.944  -8.093
  562   2HE2  GLN  67          2HE2      GLN  67 -12.930  -8.565  -8.688
  563    HA   PRO  68           HA       PRO  68 -14.485 -11.049  -0.902
  564   1HB   PRO  68          1HB       PRO  68 -12.840 -13.157  -1.339
  565   2HB   PRO  68          2HB       PRO  68 -14.442 -13.032  -2.073
  566   1HG   PRO  68          1HG       PRO  68 -11.761 -12.431  -3.261
  567   2HG   PRO  68          2HG       PRO  68 -13.144 -13.272  -3.987
  568   1HD   PRO  68          1HD       PRO  68 -12.559 -10.670  -4.503
  569   2HD   PRO  68          2HD       PRO  68 -14.216 -11.309  -4.523
  570    H    LEU  69           H        LEU  69 -11.684  -9.635  -2.110
  571    HA   LEU  69           HA       LEU  69  -9.808  -8.779  -1.179
  572   1HB   LEU  69          1HB       LEU  69 -11.102  -9.614   1.418
  573   2HB   LEU  69          2HB       LEU  69  -9.608  -8.703   1.313
  574    HG   LEU  69           HG       LEU  69 -12.317  -7.778   0.353
  575   1HD1  LEU  69          1HD1      LEU  69 -10.608  -6.867   2.661
  576   2HD1  LEU  69          2HD1      LEU  69 -12.100  -7.800   2.782
  577   3HD1  LEU  69          3HD1      LEU  69 -12.139  -6.150   2.160
  578   1HD2  LEU  69          1HD2      LEU  69  -9.647  -6.373   0.340
  579   2HD2  LEU  69          2HD2      LEU  69 -11.199  -5.630  -0.043
  580   3HD2  LEU  69          3HD2      LEU  69 -10.556  -6.909  -1.073
  581    HA   PRO  70           HA       PRO  70  -6.953 -12.107  -1.049
  582   1HB   PRO  70          1HB       PRO  70  -5.217 -10.460   0.686
  583   2HB   PRO  70          2HB       PRO  70  -4.899 -11.117  -0.921
  584   1HG   PRO  70          1HG       PRO  70  -5.341  -8.504  -0.534
  585   2HG   PRO  70          2HG       PRO  70  -5.905  -9.342  -1.993
  586   1HD   PRO  70          1HD       PRO  70  -7.443  -8.498   0.430
  587   2HD   PRO  70          2HD       PRO  70  -7.925  -8.467  -1.280
  588    H    GLY  71           H        GLY  71  -7.602 -10.470   2.019
  589   1HA   GLY  71          1HA       GLY  71  -8.435 -11.473   3.951
  590   2HA   GLY  71          2HA       GLY  71  -8.043 -13.048   3.272
  591    H    ALA  72           H        ALA  72  -5.356 -12.545   2.649
  592    HA   ALA  72           HA       ALA  72  -4.108 -11.951   5.225
  593   1HB   ALA  72          1HB       ALA  72  -4.489 -14.368   5.175
  594   2HB   ALA  72          2HB       ALA  72  -2.767 -13.992   5.108
  595   3HB   ALA  72          3HB       ALA  72  -3.624 -14.474   3.643
  596    H    PHE  73           H        PHE  73  -3.710 -10.040   3.848
  597    HA   PHE  73           HA       PHE  73  -1.567 -10.455   1.882
  598   1HB   PHE  73          1HB       PHE  73  -3.640  -9.319   1.088
  599   2HB   PHE  73          2HB       PHE  73  -3.358  -8.044   2.267
  600    HD1  PHE  73           HD2      PHE  73  -2.139  -9.586  -0.839
  601    HD2  PHE  73           HD1      PHE  73  -1.751  -6.336   1.877
  602    HE1  PHE  73           HE2      PHE  73  -0.768  -8.380  -2.488
  603    HE2  PHE  73           HE1      PHE  73  -0.384  -5.121   0.234
  604    HZ   PHE  73           HZ       PHE  73   0.109  -6.141  -1.951
  605    H    ALA  74           H        ALA  74   0.423  -9.857   2.412
  606    HA   ALA  74           HA       ALA  74   0.792  -7.820   4.504
  607   1HB   ALA  74          1HB       ALA  74   2.310 -10.424   4.347
  608   2HB   ALA  74          2HB       ALA  74   1.056 -10.036   5.525
  609   3HB   ALA  74          3HB       ALA  74   2.572  -9.131   5.520
  610    H    VAL  75           H        VAL  75   2.395  -6.381   4.134
  611    HA   VAL  75           HA       VAL  75   4.162  -6.886   1.824
  612    HB   VAL  75           HB       VAL  75   4.039  -4.394   1.344
  613   1HG1  VAL  75          1HG1      VAL  75   3.027  -6.068  -0.098
  614   2HG1  VAL  75          2HG1      VAL  75   2.023  -4.623  -0.014
  615   3HG1  VAL  75          3HG1      VAL  75   1.573  -6.064   0.897
  616   1HG2  VAL  75          1HG2      VAL  75   1.975  -3.254   2.024
  617   2HG2  VAL  75          2HG2      VAL  75   2.979  -3.677   3.408
  618   3HG2  VAL  75          3HG2      VAL  75   1.551  -4.638   3.031
  619    H    ALA  76           H        ALA  76   3.754  -5.466   4.977
  620    HA   ALA  76           HA       ALA  76   6.026  -3.855   5.075
  621   1HB   ALA  76          1HB       ALA  76   4.729  -5.341   7.351
  622   2HB   ALA  76          2HB       ALA  76   4.268  -3.748   6.747
  623   3HB   ALA  76          3HB       ALA  76   5.845  -3.985   7.499
  624    HA   PRO  77           HA       PRO  77   8.449  -7.738   6.880
  625   1HB   PRO  77          1HB       PRO  77   7.027  -9.860   5.367
  626   2HB   PRO  77          2HB       PRO  77   7.703  -9.899   6.999
  627   1HG   PRO  77          1HG       PRO  77   5.075  -9.744   6.625
  628   2HG   PRO  77          2HG       PRO  77   5.862  -8.832   7.929
  629   1HD   PRO  77          1HD       PRO  77   4.871  -7.877   5.272
  630   2HD   PRO  77          2HD       PRO  77   4.789  -7.084   6.858
  631    H    TYR  78           H        TYR  78   7.022  -7.751   3.646
  632    HA   TYR  78           HA       TYR  78   9.298  -8.840   2.329
  633   1HB   TYR  78          1HB       TYR  78   7.017  -8.929   1.368
  634   2HB   TYR  78          2HB       TYR  78   7.042  -7.179   1.176
  635    HD1  TYR  78           HD2      TYR  78   8.444 -10.357  -0.034
  636    HD2  TYR  78           HD1      TYR  78   8.258  -6.148  -0.642
  637    HE1  TYR  78           HE2      TYR  78   9.465 -10.636  -2.252
  638    HE2  TYR  78           HE1      TYR  78   9.281  -6.416  -2.864
  639    HH   TYR  78           HH       TYR  78  10.619  -7.983  -4.105
  640    H    TYR  79           H        TYR  79   8.067  -5.541   2.785
  641    HA   TYR  79           HA       TYR  79  10.179  -4.353   1.284
  642   1HB   TYR  79          1HB       TYR  79   7.992  -3.295   3.026
  643   2HB   TYR  79          2HB       TYR  79   9.298  -2.225   2.517
  644    HD1  TYR  79           HD1      TYR  79   6.456  -4.260   1.360
  645    HD2  TYR  79           HD2      TYR  79   9.514  -1.527   0.234
  646    HE1  TYR  79           HE1      TYR  79   5.364  -3.948  -0.823
  647    HE2  TYR  79           HE2      TYR  79   8.430  -1.203  -1.946
  648    HH   TYR  79           HH       TYR  79   6.892  -2.578  -3.437
  649    H    GLU  80           H        GLU  80   9.862  -5.354   4.579
  650    HA   GLU  80           HA       GLU  80  12.015  -3.849   5.636
  651   1HB   GLU  80          1HB       GLU  80  10.372  -5.071   7.036
  652   2HB   GLU  80          2HB       GLU  80  11.047  -6.593   6.468
  653   1HG   GLU  80          1HG       GLU  80  13.197  -6.013   7.482
  654   2HG   GLU  80          2HG       GLU  80  12.508  -4.498   8.063
  655    H    MET  81           H        MET  81  11.838  -6.579   3.550
  656    HA   MET  81           HA       MET  81  14.661  -7.232   3.880
  657   1HB   MET  81          1HB       MET  81  12.483  -8.386   2.141
  658   2HB   MET  81          2HB       MET  81  14.159  -8.911   2.064
  659   1HG   MET  81          1HG       MET  81  14.066  -9.669   4.349
  660   2HG   MET  81          2HG       MET  81  12.422  -9.049   4.513
  661   1HE   MET  81          1HE       MET  81  14.669 -11.550   2.413
  662   2HE   MET  81          2HE       MET  81  13.739 -10.623   1.234
  663   3HE   MET  81          3HE       MET  81  13.418 -12.346   1.455
  664    H    ALA  82           H        ALA  82  12.454  -5.812   1.544
  665    HA   ALA  82           HA       ALA  82  14.328  -5.594  -0.565
  666   1HB   ALA  82          1HB       ALA  82  11.808  -4.000  -0.107
  667   2HB   ALA  82          2HB       ALA  82  11.899  -5.560  -0.922
  668   3HB   ALA  82          3HB       ALA  82  12.686  -4.148  -1.629
  669    H    LEU  83           H        LEU  83  13.322  -3.406   2.016
  670    HA   LEU  83           HA       LEU  83  15.017  -1.276   0.999
  671   1HB   LEU  83          1HB       LEU  83  13.234  -1.427   3.431
  672   2HB   LEU  83          2HB       LEU  83  14.145  -0.007   2.958
  673    HG   LEU  83           HG       LEU  83  11.949  -1.293   1.335
  674   1HD1  LEU  83          1HD1      LEU  83  11.971   1.273   2.919
  675   2HD1  LEU  83          2HD1      LEU  83  11.109  -0.203   3.350
  676   3HD1  LEU  83          3HD1      LEU  83  10.654   0.693   1.900
  677   1HD2  LEU  83          1HD2      LEU  83  13.506   1.250   0.880
  678   2HD2  LEU  83          2HD2      LEU  83  12.145   0.683  -0.085
  679   3HD2  LEU  83          3HD2      LEU  83  13.649  -0.236  -0.059
  680    H    ALA  84           H        ALA  84  17.032  -0.992   1.593
  681    HA   ALA  84           HA       ALA  84  18.389  -2.640   3.440
  682   1HB   ALA  84          1HB       ALA  84  19.511  -1.564   1.551
  683   2HB   ALA  84          2HB       ALA  84  20.291  -1.149   3.078
  684   3HB   ALA  84          3HB       ALA  84  19.232   0.016   2.282
  685    H    THR  85           H        THR  85  19.759  -1.621   5.231
  686    HA   THR  85           HA       THR  85  17.792  -0.897   7.170
  687    HB   THR  85           HB       THR  85  20.680  -0.926   7.877
  688    HG1  THR  85           HG1      THR  85  20.140  -3.407   7.914
  689   1HG2  THR  85          1HG2      THR  85  18.223  -2.224   9.052
  690   2HG2  THR  85          2HG2      THR  85  18.921  -0.692   9.576
  691   3HG2  THR  85          3HG2      THR  85  19.827  -2.190   9.784
  692    H    ASP  86           H        ASP  86  20.160   0.852   5.344
  693    HA   ASP  86           HA       ASP  86  20.041   3.165   7.099
  694   1HB   ASP  86          1HB       ASP  86  22.085   2.460   5.672
  695   2HB   ASP  86          2HB       ASP  86  21.205   3.159   4.315
  696    H    HIS  87           H        HIS  87  19.800   5.279   5.296
  697    HA   HIS  87           HA       HIS  87  18.198   6.605   4.372
  698   1HB   HIS  87          1HB       HIS  87  18.362   4.968   2.527
  699   2HB   HIS  87          2HB       HIS  87  17.131   3.978   3.297
  700    HD1  HIS  87           HD1      HIS  87  17.586   7.173   1.375
  701    HD2  HIS  87           HD2      HIS  87  14.521   4.773   2.843
  702    HE1  HIS  87           HE1      HIS  87  15.481   8.023   0.300
  703    HE2  HIS  87           HE2      HIS  87  13.692   6.400   1.011
  704    HA   PRO  88           HA       PRO  88  15.870   5.919   8.226
  705   1HB   PRO  88          1HB       PRO  88  15.007   8.554   8.362
  706   2HB   PRO  88          2HB       PRO  88  16.508   7.930   9.050
  707   1HG   PRO  88          1HG       PRO  88  16.050   9.350   6.465
  708   2HG   PRO  88          2HG       PRO  88  17.390   9.515   7.615
  709   1HD   PRO  88          1HD       PRO  88  17.680   8.140   5.346
  710   2HD   PRO  88          2HD       PRO  88  18.439   7.586   6.854
  711    H    GLN  89           H        GLN  89  14.642   7.237   5.247
  712    HA   GLN  89           HA       GLN  89  11.930   7.481   5.890
  713   1HB   GLN  89          1HB       GLN  89  13.210   6.741   3.252
  714   2HB   GLN  89          2HB       GLN  89  11.538   7.247   3.454
  715   1HG   GLN  89          1HG       GLN  89  13.965   8.908   4.090
  716   2HG   GLN  89          2HG       GLN  89  12.944   9.068   2.660
  717   1HE2  GLN  89          1HE2      GLN  89  13.567  10.954   4.840
  718   2HE2  GLN  89          2HE2      GLN  89  12.030  11.430   5.492
  719    H    ARG  90           H        ARG  90  13.883   4.699   5.492
  720    HA   ARG  90           HA       ARG  90  12.203   2.700   4.632
  721   1HB   ARG  90          1HB       ARG  90  14.592   2.445   5.232
  722   2HB   ARG  90          2HB       ARG  90  14.158   2.547   6.930
  723   1HG   ARG  90          1HG       ARG  90  12.674   0.510   6.483
  724   2HG   ARG  90          2HG       ARG  90  13.583   0.351   4.976
  725   1HD   ARG  90          1HD       ARG  90  15.673   0.506   6.450
  726   2HD   ARG  90          2HD       ARG  90  14.587   0.195   7.801
  727    HE   ARG  90           HE       ARG  90  14.938  -1.664   5.532
  728   1HH1  ARG  90          1HH1      ARG  90  14.356  -1.057   8.934
  729   2HH1  ARG  90          2HH1      ARG  90  14.566  -2.723   9.391
  730   1HH2  ARG  90          1HH2      ARG  90  15.219  -3.852   6.142
  731   2HH2  ARG  90          2HH2      ARG  90  15.087  -4.295   7.821
  732    H    ALA  91           H        ALA  91  12.582   3.885   7.962
  733    HA   ALA  91           HA       ALA  91  10.702   2.137   9.124
  734   1HB   ALA  91          1HB       ALA  91  12.454   3.307  10.395
  735   2HB   ALA  91          2HB       ALA  91  10.849   3.552  11.084
  736   3HB   ALA  91          3HB       ALA  91  11.604   4.831  10.134
  737    H    LEU  92           H        LEU  92  10.406   5.386   7.780
  738    HA   LEU  92           HA       LEU  92   7.753   5.846   8.679
  739   1HB   LEU  92          1HB       LEU  92   9.294   7.074   6.394
  740   2HB   LEU  92          2HB       LEU  92   7.739   7.650   6.964
  741    HG   LEU  92           HG       LEU  92  10.291   7.604   8.579
  742   1HD1  LEU  92          1HD1      LEU  92   8.768   9.906   7.375
  743   2HD1  LEU  92          2HD1      LEU  92  10.301   9.269   6.784
  744   3HD1  LEU  92          3HD1      LEU  92  10.215  10.022   8.376
  745   1HD2  LEU  92          1HD2      LEU  92   7.556   8.691   9.242
  746   2HD2  LEU  92          2HD2      LEU  92   9.007   8.898  10.221
  747   3HD2  LEU  92          3HD2      LEU  92   8.326   7.289   9.983
  748    H    ILE  93           H        ILE  93   9.119   4.563   5.680
  749    HA   ILE  93           HA       ILE  93   6.684   4.255   4.288
  750    HB   ILE  93           HB       ILE  93   9.172   2.547   4.056
  751   1HG1  ILE  93          1HG1      ILE  93   8.352   5.037   2.544
  752   2HG1  ILE  93          2HG1      ILE  93   9.668   4.921   3.711
  753   1HG2  ILE  93          1HG2      ILE  93   7.245   1.489   3.032
  754   2HG2  ILE  93          2HG2      ILE  93   8.353   2.066   1.787
  755   3HG2  ILE  93          3HG2      ILE  93   6.880   2.967   2.142
  756   1HD1  ILE  93          1HD1      ILE  93   9.522   3.490   1.069
  757   2HD1  ILE  93          2HD1      ILE  93  10.837   3.368   2.237
  758   3HD1  ILE  93          3HD1      ILE  93  10.507   4.906   1.438
  759    H    LEU  94           H        LEU  94   8.555   2.005   6.296
  760    HA   LEU  94           HA       LEU  94   6.823  -0.185   6.075
  761   1HB   LEU  94          1HB       LEU  94   8.728   0.570   8.290
  762   2HB   LEU  94          2HB       LEU  94   7.926  -0.983   8.170
  763    HG   LEU  94           HG       LEU  94   9.877   0.136   6.155
  764   1HD1  LEU  94          1HD1      LEU  94  11.380  -1.610   6.956
  765   2HD1  LEU  94          2HD1      LEU  94  10.196  -2.075   8.177
  766   3HD1  LEU  94          3HD1      LEU  94  10.960  -0.487   8.249
  767   1HD2  LEU  94          1HD2      LEU  94   8.227  -1.287   5.092
  768   2HD2  LEU  94          2HD2      LEU  94   8.495  -2.540   6.304
  769   3HD2  LEU  94          3HD2      LEU  94   9.782  -2.118   5.174
  770    H    ALA  95           H        ALA  95   6.794   2.581   8.249
  771    HA   ALA  95           HA       ALA  95   4.876   1.649  10.073
  772   1HB   ALA  95          1HB       ALA  95   6.226   3.640  10.479
  773   2HB   ALA  95          2HB       ALA  95   4.505   4.000  10.624
  774   3HB   ALA  95          3HB       ALA  95   5.387   4.483   9.176
  775    H    GLU  96           H        GLU  96   4.435   3.667   7.157
  776    HA   GLU  96           HA       GLU  96   1.609   3.647   7.285
  777   1HB   GLU  96          1HB       GLU  96   3.477   4.140   4.962
  778   2HB   GLU  96          2HB       GLU  96   1.734   4.358   4.880
  779   1HG   GLU  96          1HG       GLU  96   3.641   5.859   6.655
  780   2HG   GLU  96          2HG       GLU  96   2.844   6.476   5.216
  781    H    LEU  97           H        LEU  97   3.962   1.484   5.859
  782    HA   LEU  97           HA       LEU  97   2.169  -0.072   4.336
  783   1HB   LEU  97          1HB       LEU  97   4.807  -0.787   5.608
  784   2HB   LEU  97          2HB       LEU  97   3.916  -1.865   4.552
  785    HG   LEU  97           HG       LEU  97   5.073   0.815   3.795
  786   1HD1  LEU  97          1HD1      LEU  97   5.838  -1.994   3.023
  787   2HD1  LEU  97          2HD1      LEU  97   6.758  -0.901   4.059
  788   3HD1  LEU  97          3HD1      LEU  97   6.535  -0.520   2.351
  789   1HD2  LEU  97          1HD2      LEU  97   4.371   0.246   1.512
  790   2HD2  LEU  97          2HD2      LEU  97   2.993   0.420   2.598
  791   3HD2  LEU  97          3HD2      LEU  97   3.549  -1.186   2.130
  792    H    GLU  98           H        GLU  98   3.341  -0.402   7.687
  793    HA   GLU  98           HA       GLU  98   1.966  -2.770   8.291
  794   1HB   GLU  98          1HB       GLU  98   2.858  -0.498  10.051
  795   2HB   GLU  98          2HB       GLU  98   2.054  -1.923  10.692
  796   1HG   GLU  98          1HG       GLU  98   3.904  -3.239   9.479
  797   2HG   GLU  98          2HG       GLU  98   4.750  -1.693   9.427
  798    H    LYS  99           H        LYS  99   0.890   0.567   8.255
  799    HA   LYS  99           HA       LYS  99  -1.574   0.230   9.542
  800   1HB   LYS  99          1HB       LYS  99  -0.674   2.124   7.381
  801   2HB   LYS  99          2HB       LYS  99  -2.296   2.181   8.058
  802   1HG   LYS  99          1HG       LYS  99  -1.429   2.641  10.242
  803   2HG   LYS  99          2HG       LYS  99   0.229   2.438   9.668
  804   1HD   LYS  99          1HD       LYS  99  -0.052   4.363   8.184
  805   2HD   LYS  99          2HD       LYS  99  -1.714   4.557   8.746
  806   1HE   LYS  99          1HE       LYS  99   0.744   4.730  10.484
  807   2HE   LYS  99          2HE       LYS  99  -0.148   6.110   9.846
  808   1HZ   LYS  99          1HZ       LYS  99  -1.325   4.032  11.609
  809   2HZ   LYS  99          2HZ       LYS  99  -2.065   5.466  11.094
  810   3HZ   LYS  99          3HZ       LYS  99  -0.741   5.527  12.153
  811    H    LEU 100           H        LEU 100  -0.833   0.132   6.060
  812    HA   LEU 100           HA       LEU 100  -3.388  -0.740   5.242
  813   1HB   LEU 100          1HB       LEU 100  -1.640   0.257   3.767
  814   2HB   LEU 100          2HB       LEU 100  -0.726  -1.233   3.901
  815    HG   LEU 100           HG       LEU 100  -2.643  -2.436   2.849
  816   1HD1  LEU 100          1HD1      LEU 100  -4.335  -1.117   1.684
  817   2HD1  LEU 100          2HD1      LEU 100  -3.672   0.358   2.389
  818   3HD1  LEU 100          3HD1      LEU 100  -4.406  -0.864   3.429
  819   1HD2  LEU 100          1HD2      LEU 100  -1.445  -0.175   1.254
  820   2HD2  LEU 100          2HD2      LEU 100  -2.190  -1.628   0.586
  821   3HD2  LEU 100          3HD2      LEU 100  -0.708  -1.753   1.537
  822    H    ASP 101           H        ASP 101  -0.431  -2.429   6.057
  823    HA   ASP 101           HA       ASP 101  -1.072  -5.052   5.412
  824   1HB   ASP 101          1HB       ASP 101   1.146  -4.019   6.214
  825   2HB   ASP 101          2HB       ASP 101   0.526  -4.223   7.844
  826    H    ALA 102           H        ALA 102  -1.597  -3.274   8.438
  827    HA   ALA 102           HA       ALA 102  -2.872  -5.456   9.774
  828   1HB   ALA 102          1HB       ALA 102  -1.657  -3.738  11.002
  829   2HB   ALA 102          2HB       ALA 102  -3.335  -3.837  11.537
  830   3HB   ALA 102          3HB       ALA 102  -2.824  -2.526  10.474
  831    H    LEU 103           H        LEU 103  -3.972  -3.097   7.537
  832    HA   LEU 103           HA       LEU 103  -6.695  -3.060   8.415
  833   1HB   LEU 103          1HB       LEU 103  -5.463  -2.286   5.773
  834   2HB   LEU 103          2HB       LEU 103  -7.158  -2.071   6.166
  835    HG   LEU 103           HG       LEU 103  -4.838  -0.746   7.570
  836   1HD1  LEU 103          1HD1      LEU 103  -5.701   1.302   6.582
  837   2HD1  LEU 103          2HD1      LEU 103  -6.936   0.377   5.727
  838   3HD1  LEU 103          3HD1      LEU 103  -5.230   0.141   5.343
  839   1HD2  LEU 103          1HD2      LEU 103  -6.691  -1.203   9.098
  840   2HD2  LEU 103          2HD2      LEU 103  -7.803  -0.400   7.988
  841   3HD2  LEU 103          3HD2      LEU 103  -6.522   0.522   8.776
  842    H    PHE 104           H        PHE 104  -4.837  -4.947   6.084
  843    HA   PHE 104           HA       PHE 104  -7.124  -6.435   5.200
  844   1HB   PHE 104          1HB       PHE 104  -4.160  -6.848   4.893
  845   2HB   PHE 104          2HB       PHE 104  -5.330  -8.032   4.312
  846    HD1  PHE 104           HD1      PHE 104  -6.868  -7.476   2.507
  847    HD2  PHE 104           HD2      PHE 104  -3.871  -4.748   3.792
  848    HE1  PHE 104           HE1      PHE 104  -7.191  -6.165   0.453
  849    HE2  PHE 104           HE2      PHE 104  -4.184  -3.431   1.742
  850    HZ   PHE 104           HZ       PHE 104  -5.850  -4.136   0.069
  851    H    ALA 105           H        ALA 105  -5.120  -6.501   7.934
  852    HA   ALA 105           HA       ALA 105  -5.913  -9.180   8.727
  853   1HB   ALA 105          1HB       ALA 105  -3.690  -8.366   9.346
  854   2HB   ALA 105          2HB       ALA 105  -4.659  -8.710  10.778
  855   3HB   ALA 105          3HB       ALA 105  -4.421  -7.043  10.255
  856    H    ASP 106           H        ASP 106  -7.253  -6.139   8.681
  857    HA   ASP 106           HA       ASP 106  -8.700  -6.288  11.180
  858   1HB   ASP 106          1HB       ASP 106  -8.031  -4.099  10.420
  859   2HB   ASP 106          2HB       ASP 106  -8.837  -4.341   8.874
  860    H    ASP 107           H        ASP 107  -9.559  -6.325   7.718
  861    HA   ASP 107           HA       ASP 107 -12.269  -7.090   8.246
  862   1HB   ASP 107          1HB       ASP 107 -11.350  -5.901   6.137
  863   2HB   ASP 107          2HB       ASP 107 -10.866  -7.508   5.609
  864    H    ALA 108           H        ALA 108 -12.620  -8.978   9.202
  865    HA   ALA 108           HA       ALA 108 -10.835 -11.146   9.158
  866   1HB   ALA 108          1HB       ALA 108 -13.760 -11.171   9.895
  867   2HB   ALA 108          2HB       ALA 108 -12.429 -10.762  10.980
  868   3HB   ALA 108          3HB       ALA 108 -12.560 -12.394  10.323
  869    H    SER 109           H        SER 109 -10.384 -12.388   7.510
  870    HA   SER 109           HA       SER 109 -12.026 -12.617   5.219
  871   1HB   SER 109          1HB       SER 109 -10.330 -14.456   4.631
  872   2HB   SER 109          2HB       SER 109  -9.721 -12.815   4.837
  873    HG   SER 109           HG       SER 109  -8.848 -13.353   6.761
  874    H    LEU 110           H        LEU 110 -12.514 -13.930   8.160
  875    HA   LEU 110           HA       LEU 110 -13.357 -16.558   7.603
  876   1HB   LEU 110          1HB       LEU 110 -14.487 -14.622   9.628
  877   2HB   LEU 110          2HB       LEU 110 -14.680 -16.364   9.646
  878    HG   LEU 110           HG       LEU 110 -12.068 -14.888   9.996
  879   1HD1  LEU 110          1HD1      LEU 110 -13.772 -16.378  11.987
  880   2HD1  LEU 110          2HD1      LEU 110 -13.560 -14.630  11.908
  881   3HD1  LEU 110          3HD1      LEU 110 -12.190 -15.666  12.305
  882   1HD2  LEU 110          1HD2      LEU 110 -11.790 -17.060   8.901
  883   2HD2  LEU 110          2HD2      LEU 110 -12.697 -17.831  10.202
  884   3HD2  LEU 110          3HD2      LEU 110 -11.140 -17.075  10.540
  885    H    GLU 111           H        GLU 111 -14.751 -13.430   7.048
  886    HA   GLU 111           HA       GLU 111 -17.353 -14.470   6.307
  887   1HB   GLU 111          1HB       GLU 111 -16.119 -11.718   6.241
  888   2HB   GLU 111          2HB       GLU 111 -17.712 -12.052   5.578
  889   1HG   GLU 111          1HG       GLU 111 -16.865 -12.463   8.435
  890   2HG   GLU 111          2HG       GLU 111 -17.859 -11.141   7.821
  891    H    HIS 112           H        HIS 112 -14.444 -14.599   4.868
  892    HA   HIS 112           HA       HIS 112 -15.578 -14.292   2.166
  893   1HB   HIS 112          1HB       HIS 112 -12.711 -13.722   2.947
  894   2HB   HIS 112          2HB       HIS 112 -13.434 -13.499   1.360
  895    HD1  HIS 112           HD1      HIS 112 -15.422 -11.614   1.316
  896    HD2  HIS 112           HD2      HIS 112 -12.760 -11.512   4.509
  897    HE1  HIS 112           HE1      HIS 112 -15.640  -9.307   2.311
  898    HE2  HIS 112           HE2      HIS 112 -13.965  -9.243   4.211
  899    H    HIS 113           H        HIS 113 -15.956 -16.377   1.672
  900    HA   HIS 113           HA       HIS 113 -14.158 -18.453   2.568
  901   1HB   HIS 113          1HB       HIS 113 -16.656 -18.570   0.867
  902   2HB   HIS 113          2HB       HIS 113 -15.766 -19.978   1.435
  903    HD1  HIS 113           HD1      HIS 113 -16.203 -20.767   3.788
  904    HD2  HIS 113           HD2      HIS 113 -17.990 -17.107   2.948
  905    HE1  HIS 113           HE1      HIS 113 -17.712 -20.282   5.745
  906    HE2  HIS 113           HE2      HIS 113 -18.851 -18.101   5.177
  907    H    HIS 114           H        HIS 114 -12.361 -18.924   1.523
  908    HA   HIS 114           HA       HIS 114 -11.998 -18.160  -1.245
  909   1HB   HIS 114          1HB       HIS 114 -10.157 -19.649   0.644
  910   2HB   HIS 114          2HB       HIS 114  -9.718 -19.105  -0.969
  911    HD1  HIS 114           HD1      HIS 114  -9.322 -16.564  -1.301
  912    HD2  HIS 114           HD2      HIS 114 -10.151 -17.685   2.618
  913    HE1  HIS 114           HE1      HIS 114  -8.680 -14.589   0.122
  914    HE2  HIS 114           HE2      HIS 114  -8.933 -15.408   2.496
  915    H    HIS 115           H        HIS 115 -13.411 -19.417  -2.410
  916    HA   HIS 115           HA       HIS 115 -13.578 -22.254  -2.051
  917   1HB   HIS 115          1HB       HIS 115 -14.669 -20.395  -4.165
  918   2HB   HIS 115          2HB       HIS 115 -14.923 -22.135  -4.206
  919    HD1  HIS 115           HD1      HIS 115 -16.748 -23.080  -2.748
  920    HD2  HIS 115           HD2      HIS 115 -15.971 -19.069  -1.967
  921    HE1  HIS 115           HE1      HIS 115 -18.608 -22.310  -1.243
  922    HE2  HIS 115           HE2      HIS 115 -18.087 -19.899  -0.725
  923    H    HIS 116           H        HIS 116 -12.844 -23.871  -3.398
  924    HA   HIS 116           HA       HIS 116 -11.106 -23.208  -5.630
  925   1HB   HIS 116          1HB       HIS 116  -9.659 -23.187  -3.551
  926   2HB   HIS 116          2HB       HIS 116 -10.048 -24.888  -3.344
  927    HD1  HIS 116           HD1      HIS 116  -7.146 -23.751  -3.808
  928    HD2  HIS 116           HD2      HIS 116  -9.583 -25.448  -6.726
  929    HE1  HIS 116           HE1      HIS 116  -5.586 -24.598  -5.591
  930    HE2  HIS 116           HE2      HIS 116  -7.072 -25.710  -7.298
  931    H    HIS 117           H        HIS 117 -13.076 -24.232  -6.509
  932    HA   HIS 117           HA       HIS 117 -12.720 -27.155  -6.578
  933   1HB   HIS 117          1HB       HIS 117 -14.762 -26.549  -5.291
  934   2HB   HIS 117          2HB       HIS 117 -15.370 -25.688  -6.699
  935    HD1  HIS 117           HD1      HIS 117 -16.454 -27.069  -8.551
  936    HD2  HIS 117           HD2      HIS 117 -14.780 -29.381  -5.523
  937    HE1  HIS 117           HE1      HIS 117 -17.297 -29.405  -8.934
  938    HE2  HIS 117           HE2      HIS 117 -16.404 -30.754  -7.003
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1 -14.830   4.928   5.186
    2   2H    MET   1          2H        MET   1 -14.579   5.079   6.855
    3   3H    MET   1          3H        MET   1 -15.476   6.251   6.027
    4    HA   MET   1           HA       MET   1 -16.959   4.866   7.246
    5   1HB   MET   1          1HB       MET   1 -17.025   4.256   4.284
    6   2HB   MET   1          2HB       MET   1 -18.368   4.022   5.392
    7   1HG   MET   1          1HG       MET   1 -18.463   6.409   5.814
    8   2HG   MET   1          2HG       MET   1 -17.076   6.664   4.756
    9   1HE   MET   1          1HE       MET   1 -19.861   8.213   4.446
   10   2HE   MET   1          2HE       MET   1 -20.043   8.177   2.692
   11   3HE   MET   1          3HE       MET   1 -18.460   8.480   3.408
   12    H    THR   2           H        THR   2 -16.832   2.533   4.734
   13    HA   THR   2           HA       THR   2 -16.628   0.419   6.662
   14    HB   THR   2           HB       THR   2 -16.585  -0.037   3.696
   15    HG1  THR   2           HG1      THR   2 -18.841   0.346   3.660
   16   1HG2  THR   2          1HG2      THR   2 -18.037  -1.376   5.986
   17   2HG2  THR   2          2HG2      THR   2 -16.571  -1.970   5.207
   18   3HG2  THR   2          3HG2      THR   2 -18.081  -1.889   4.299
   19    H    THR   3           H        THR   3 -15.169  -1.516   6.106
   20    HA   THR   3           HA       THR   3 -12.517  -0.808   6.452
   21    HB   THR   3           HB       THR   3 -13.484  -3.428   5.301
   22    HG1  THR   3           HG1      THR   3 -13.089  -3.010   8.064
   23   1HG2  THR   3          1HG2      THR   3 -11.046  -3.137   5.296
   24   2HG2  THR   3          2HG2      THR   3 -11.542  -4.363   6.463
   25   3HG2  THR   3          3HG2      THR   3 -11.089  -2.751   7.018
   26    H    HIS   4           H        HIS   4 -14.140  -1.865   3.439
   27    HA   HIS   4           HA       HIS   4 -11.961  -1.808   1.714
   28   1HB   HIS   4          1HB       HIS   4 -14.826  -1.000   1.182
   29   2HB   HIS   4          2HB       HIS   4 -13.612  -1.153  -0.081
   30    HD1  HIS   4           HD1      HIS   4 -16.291  -2.957   1.265
   31    HD2  HIS   4           HD2      HIS   4 -12.415  -3.978   0.156
   32    HE1  HIS   4           HE1      HIS   4 -16.333  -5.439   0.849
   33    HE2  HIS   4           HE2      HIS   4 -14.063  -5.955  -0.109
   34    H    ASP   5           H        ASP   5 -14.156   0.840   2.536
   35    HA   ASP   5           HA       ASP   5 -12.927   2.853   1.038
   36   1HB   ASP   5          1HB       ASP   5 -15.143   3.167   1.904
   37   2HB   ASP   5          2HB       ASP   5 -14.584   2.964   3.560
   38    H    ARG   6           H        ARG   6 -12.311   1.728   4.334
   39    HA   ARG   6           HA       ARG   6 -10.494   3.774   5.039
   40   1HB   ARG   6          1HB       ARG   6 -10.854   0.971   6.083
   41   2HB   ARG   6          2HB       ARG   6  -9.684   2.096   6.759
   42   1HG   ARG   6          1HG       ARG   6 -11.564   3.677   7.189
   43   2HG   ARG   6          2HG       ARG   6 -12.673   2.401   6.683
   44   1HD   ARG   6          1HD       ARG   6 -11.946   0.978   8.468
   45   2HD   ARG   6          2HD       ARG   6 -10.664   2.106   8.909
   46    HE   ARG   6           HE       ARG   6 -13.384   3.128   9.034
   47   1HH1  ARG   6          1HH1      ARG   6 -10.631   1.799  10.736
   48   2HH1  ARG   6          2HH1      ARG   6 -11.184   2.305  12.304
   49   1HH2  ARG   6          1HH2      ARG   6 -14.096   3.849  11.092
   50   2HH2  ARG   6          2HH2      ARG   6 -13.137   3.503  12.500
   51    H    VAL   7           H        VAL   7  -9.982   0.573   3.585
   52    HA   VAL   7           HA       VAL   7  -7.159   0.717   3.532
   53    HB   VAL   7           HB       VAL   7  -8.947  -0.761   1.586
   54   1HG1  VAL   7          1HG1      VAL   7  -6.059  -1.193   2.342
   55   2HG1  VAL   7          2HG1      VAL   7  -6.653  -0.576   0.800
   56   3HG1  VAL   7          3HG1      VAL   7  -7.008  -2.235   1.282
   57   1HG2  VAL   7          1HG2      VAL   7  -9.471  -1.396   3.875
   58   2HG2  VAL   7          2HG2      VAL   7  -7.763  -1.689   4.201
   59   3HG2  VAL   7          3HG2      VAL   7  -8.627  -2.706   3.049
   60    H    ARG   8           H        ARG   8  -9.665   1.815   1.330
   61    HA   ARG   8           HA       ARG   8  -7.986   2.673  -0.767
   62   1HB   ARG   8          1HB       ARG   8 -10.388   2.391  -1.063
   63   2HB   ARG   8          2HB       ARG   8 -10.707   3.667   0.100
   64   1HG   ARG   8          1HG       ARG   8  -9.790   5.320  -1.375
   65   2HG   ARG   8          2HG       ARG   8  -9.259   4.073  -2.506
   66   1HD   ARG   8          1HD       ARG   8 -11.323   5.164  -3.250
   67   2HD   ARG   8          2HD       ARG   8 -11.561   3.447  -2.935
   68    HE   ARG   8           HE       ARG   8 -12.201   5.026  -0.653
   69   1HH1  ARG   8          1HH1      ARG   8 -13.418   4.022  -3.791
   70   2HH1  ARG   8          2HH1      ARG   8 -15.087   4.225  -3.340
   71   1HH2  ARG   8          1HH2      ARG   8 -14.400   5.254  -0.050
   72   2HH2  ARG   8          2HH2      ARG   8 -15.652   4.914  -1.215
   73    H    LEU   9           H        LEU   9  -9.283   4.328   2.078
   74    HA   LEU   9           HA       LEU   9  -8.123   6.842   1.694
   75   1HB   LEU   9          1HB       LEU   9  -8.648   5.359   4.273
   76   2HB   LEU   9          2HB       LEU   9  -8.236   7.059   4.173
   77    HG   LEU   9           HG       LEU   9 -10.715   5.818   2.977
   78   1HD1  LEU   9          1HD1      LEU   9 -11.900   6.939   4.794
   79   2HD1  LEU   9          2HD1      LEU   9 -10.362   7.459   5.482
   80   3HD1  LEU   9          3HD1      LEU   9 -10.761   5.743   5.411
   81   1HD2  LEU   9          1HD2      LEU   9  -9.988   7.800   1.778
   82   2HD2  LEU   9          2HD2      LEU   9  -9.860   8.694   3.294
   83   3HD2  LEU   9          3HD2      LEU   9 -11.437   8.150   2.719
   84    H    GLN  10           H        GLN  10  -6.794   3.881   3.075
   85    HA   GLN  10           HA       GLN  10  -4.364   4.962   4.007
   86   1HB   GLN  10          1HB       GLN  10  -5.334   2.691   4.562
   87   2HB   GLN  10          2HB       GLN  10  -4.785   2.149   2.984
   88   1HG   GLN  10          1HG       GLN  10  -2.919   3.314   5.029
   89   2HG   GLN  10          2HG       GLN  10  -3.320   1.601   4.977
   90   1HE2  GLN  10          1HE2      GLN  10  -0.756   2.949   4.599
   91   2HE2  GLN  10          2HE2      GLN  10  -0.192   2.467   3.043
   92    H    LEU  11           H        LEU  11  -5.304   3.567   0.889
   93    HA   LEU  11           HA       LEU  11  -2.792   3.671  -0.348
   94   1HB   LEU  11          1HB       LEU  11  -5.524   4.023  -1.583
   95   2HB   LEU  11          2HB       LEU  11  -4.049   3.711  -2.478
   96    HG   LEU  11           HG       LEU  11  -5.298   1.830  -0.473
   97   1HD1  LEU  11          1HD1      LEU  11  -5.830   0.459  -2.423
   98   2HD1  LEU  11          2HD1      LEU  11  -5.202   1.721  -3.483
   99   3HD1  LEU  11          3HD1      LEU  11  -6.631   2.030  -2.497
  100   1HD2  LEU  11          1HD2      LEU  11  -2.869   1.617  -0.562
  101   2HD2  LEU  11          2HD2      LEU  11  -2.936   1.469  -2.317
  102   3HD2  LEU  11          3HD2      LEU  11  -3.651   0.220  -1.300
  103    H    GLN  12           H        GLN  12  -5.283   6.110   0.060
  104    HA   GLN  12           HA       GLN  12  -4.051   8.119  -1.525
  105   1HB   GLN  12          1HB       GLN  12  -5.933   8.457   0.819
  106   2HB   GLN  12          2HB       GLN  12  -5.595   9.652  -0.427
  107   1HG   GLN  12          1HG       GLN  12  -6.656   8.296  -2.095
  108   2HG   GLN  12          2HG       GLN  12  -6.863   6.975  -0.947
  109   1HE2  GLN  12          1HE2      GLN  12  -8.870   8.363  -2.496
  110   2HE2  GLN  12          2HE2      GLN  12  -9.990   9.023  -1.348
  111    H    ALA  13           H        ALA  13  -3.873   7.187   1.852
  112    HA   ALA  13           HA       ALA  13  -2.281   9.370   2.726
  113   1HB   ALA  13          1HB       ALA  13  -3.631   8.023   4.258
  114   2HB   ALA  13          2HB       ALA  13  -1.935   8.050   4.745
  115   3HB   ALA  13          3HB       ALA  13  -2.600   6.628   3.941
  116    H    LEU  14           H        LEU  14  -1.541   6.096   1.609
  117    HA   LEU  14           HA       LEU  14   1.239   6.161   1.953
  118   1HB   LEU  14          1HB       LEU  14   0.023   4.116   1.400
  119   2HB   LEU  14          2HB       LEU  14  -0.407   4.771  -0.167
  120    HG   LEU  14           HG       LEU  14   2.003   4.790  -0.780
  121   1HD1  LEU  14          1HD1      LEU  14   2.954   4.929   1.455
  122   2HD1  LEU  14          2HD1      LEU  14   3.583   3.527   0.588
  123   3HD1  LEU  14          3HD1      LEU  14   2.344   3.317   1.828
  124   1HD2  LEU  14          1HD2      LEU  14   2.192   2.371  -1.086
  125   2HD2  LEU  14          2HD2      LEU  14   0.563   2.943  -1.442
  126   3HD2  LEU  14          3HD2      LEU  14   0.896   2.122   0.083
  127    H    GLU  15           H        GLU  15  -0.788   7.129  -0.782
  128    HA   GLU  15           HA       GLU  15   1.197   8.059  -2.504
  129   1HB   GLU  15          1HB       GLU  15  -1.190   7.833  -3.112
  130   2HB   GLU  15          2HB       GLU  15  -1.575   9.198  -2.073
  131   1HG   GLU  15          1HG       GLU  15  -0.033  10.579  -3.495
  132   2HG   GLU  15          2HG       GLU  15   0.038   9.211  -4.605
  133    H    ALA  16           H        ALA  16  -0.524   9.689   0.122
  134    HA   ALA  16           HA       ALA  16   0.612  12.229  -0.154
  135   1HB   ALA  16          1HB       ALA  16  -0.077  12.611   2.151
  136   2HB   ALA  16          2HB       ALA  16  -0.317  10.880   2.381
  137   3HB   ALA  16          3HB       ALA  16  -1.342  11.769   1.254
  138    H    LEU  17           H        LEU  17   1.647   9.452   1.808
  139    HA   LEU  17           HA       LEU  17   3.855  10.675   3.028
  140   1HB   LEU  17          1HB       LEU  17   2.798   8.502   3.682
  141   2HB   LEU  17          2HB       LEU  17   3.555   7.759   2.289
  142    HG   LEU  17           HG       LEU  17   5.276   9.129   4.327
  143   1HD1  LEU  17          1HD1      LEU  17   3.786   7.687   5.622
  144   2HD1  LEU  17          2HD1      LEU  17   5.429   7.047   5.588
  145   3HD1  LEU  17          3HD1      LEU  17   4.181   6.328   4.569
  146   1HD2  LEU  17          1HD2      LEU  17   6.877   7.423   3.635
  147   2HD2  LEU  17          2HD2      LEU  17   6.280   8.321   2.239
  148   3HD2  LEU  17          3HD2      LEU  17   5.668   6.700   2.575
  149    H    LEU  18           H        LEU  18   3.626   8.802   0.017
  150    HA   LEU  18           HA       LEU  18   6.365   8.988  -0.665
  151   1HB   LEU  18          1HB       LEU  18   3.948   8.670  -2.448
  152   2HB   LEU  18          2HB       LEU  18   5.609   8.435  -2.960
  153    HG   LEU  18           HG       LEU  18   4.169   6.783  -0.880
  154   1HD1  LEU  18          1HD1      LEU  18   4.962   6.145  -3.718
  155   2HD1  LEU  18          2HD1      LEU  18   3.319   6.379  -3.120
  156   3HD1  LEU  18          3HD1      LEU  18   4.274   5.005  -2.562
  157   1HD2  LEU  18          1HD2      LEU  18   6.137   5.336  -0.989
  158   2HD2  LEU  18          2HD2      LEU  18   6.561   6.955  -0.431
  159   3HD2  LEU  18          3HD2      LEU  18   6.917   6.472  -2.090
  160    H    ARG  19           H        ARG  19   3.595  11.052  -1.255
  161    HA   ARG  19           HA       ARG  19   4.795  12.805  -3.115
  162   1HB   ARG  19          1HB       ARG  19   2.332  12.545  -2.617
  163   2HB   ARG  19          2HB       ARG  19   2.601  13.474  -1.151
  164   1HG   ARG  19          1HG       ARG  19   1.699  14.861  -2.927
  165   2HG   ARG  19          2HG       ARG  19   3.324  15.383  -2.479
  166   1HD   ARG  19          1HD       ARG  19   4.270  14.488  -4.423
  167   2HD   ARG  19          2HD       ARG  19   2.862  13.480  -4.750
  168    HE   ARG  19           HE       ARG  19   1.717  15.775  -5.082
  169   1HH1  ARG  19          1HH1      ARG  19   5.050  15.060  -5.890
  170   2HH1  ARG  19          2HH1      ARG  19   5.079  16.131  -7.259
  171   1HH2  ARG  19          1HH2      ARG  19   1.738  17.145  -6.904
  172   2HH2  ARG  19          2HH2      ARG  19   3.189  17.309  -7.846
  173    H    GLU  20           H        GLU  20   4.492  12.926   0.421
  174    HA   GLU  20           HA       GLU  20   5.571  15.471   0.835
  175   1HB   GLU  20          1HB       GLU  20   5.765  13.043   2.625
  176   2HB   GLU  20          2HB       GLU  20   6.098  14.694   3.122
  177   1HG   GLU  20          1HG       GLU  20   3.750  15.271   2.559
  178   2HG   GLU  20          2HG       GLU  20   3.455  13.560   2.248
  179    H    HIS  21           H        HIS  21   7.155  12.361   0.401
  180    HA   HIS  21           HA       HIS  21   9.764  13.601   0.878
  181   1HB   HIS  21          1HB       HIS  21   9.001  10.692   0.529
  182   2HB   HIS  21          2HB       HIS  21  10.640  11.270   0.814
  183    HD1  HIS  21           HD1      HIS  21  11.208  12.109   3.202
  184    HD2  HIS  21           HD2      HIS  21   7.316  10.709   2.762
  185    HE1  HIS  21           HE1      HIS  21  10.305  11.856   5.539
  186    HE2  HIS  21           HE2      HIS  21   7.863  11.293   5.215
  187    H    GLN  22           H        GLN  22   7.860  13.678  -1.570
  188    HA   GLN  22           HA       GLN  22   8.069  13.980  -3.802
  189   1HB   GLN  22          1HB       GLN  22  10.971  14.383  -3.066
  190   2HB   GLN  22          2HB       GLN  22  10.222  14.884  -4.578
  191   1HG   GLN  22          1HG       GLN  22   8.722  16.366  -3.326
  192   2HG   GLN  22          2HG       GLN  22   9.516  15.885  -1.829
  193   1HE2  GLN  22          1HE2      GLN  22   9.256  18.504  -3.040
  194   2HE2  GLN  22          2HE2      GLN  22  10.870  19.096  -3.258
  195    H    HIS  23           H        HIS  23   8.342  11.234  -2.824
  196    HA   HIS  23           HA       HIS  23  10.018  10.094  -4.953
  197   1HB   HIS  23          1HB       HIS  23   8.813   8.874  -2.473
  198   2HB   HIS  23          2HB       HIS  23   9.449   7.885  -3.784
  199    HD1  HIS  23           HD1      HIS  23  12.080   8.374  -4.363
  200    HD2  HIS  23           HD2      HIS  23  10.675   9.639  -0.653
  201    HE1  HIS  23           HE1      HIS  23  14.124   8.695  -2.931
  202    HE2  HIS  23           HE2      HIS  23  13.261   9.581  -0.733
  203    H    TRP  24           H        TRP  24   7.006  11.185  -4.539
  204    HA   TRP  24           HA       TRP  24   5.554   9.093  -5.883
  205   1HB   TRP  24          1HB       TRP  24   4.409  10.588  -4.292
  206   2HB   TRP  24          2HB       TRP  24   4.788  11.969  -5.315
  207    HD1  TRP  24           HD1      TRP  24   2.871  12.676  -6.843
  208    HE1  TRP  24           HE1      TRP  24   0.807  11.541  -7.884
  209    HE3  TRP  24           HE3      TRP  24   3.638   7.910  -5.154
  210    HZ2  TRP  24           HZ2      TRP  24  -0.337   8.958  -7.974
  211    HZ3  TRP  24           HZ3      TRP  24   2.013   6.167  -5.762
  212    HH2  TRP  24           HH2      TRP  24   0.066   6.681  -7.144
  213    H    ARG  25           H        ARG  25   6.456   8.709  -7.832
  214    HA   ARG  25           HA       ARG  25   6.593  10.963  -9.720
  215   1HB   ARG  25          1HB       ARG  25   8.239   8.434  -9.607
  216   2HB   ARG  25          2HB       ARG  25   8.241   9.534 -10.975
  217   1HG   ARG  25          1HG       ARG  25   9.107  11.315  -9.548
  218   2HG   ARG  25          2HG       ARG  25   9.098  10.209  -8.168
  219   1HD   ARG  25          1HD       ARG  25  10.679   8.757  -9.285
  220   2HD   ARG  25          2HD       ARG  25  10.640   9.776 -10.720
  221    HE   ARG  25           HE       ARG  25  11.420  11.442  -8.673
  222   1HH1  ARG  25          1HH1      ARG  25  12.564   8.421 -10.015
  223   2HH1  ARG  25          2HH1      ARG  25  14.245   8.770  -9.723
  224   1HH2  ARG  25          1HH2      ARG  25  13.634  11.919  -8.287
  225   2HH2  ARG  25          2HH2      ARG  25  14.854  10.763  -8.749
  226    H    ASN  26           H        ASN  26   5.601  10.748 -11.664
  227    HA   ASN  26           HA       ASN  26   4.173   8.223 -12.147
  228   1HB   ASN  26          1HB       ASN  26   2.710  10.228 -11.842
  229   2HB   ASN  26          2HB       ASN  26   3.497  10.972 -13.232
  230   1HD2  ASN  26          1HD2      ASN  26   3.062  10.196 -15.296
  231   2HD2  ASN  26          2HD2      ASN  26   1.734   9.136 -15.624
  232    H    ASP  27           H        ASP  27   5.572   7.090 -13.381
  233    HA   ASP  27           HA       ASP  27   6.731   8.433 -15.729
  234   1HB   ASP  27          1HB       ASP  27   8.196   7.177 -13.980
  235   2HB   ASP  27          2HB       ASP  27   7.567   5.715 -14.732
  236    H    GLU  28           H        GLU  28   7.093   6.531 -17.526
  237    HA   GLU  28           HA       GLU  28   4.357   5.669 -18.098
  238   1HB   GLU  28          1HB       GLU  28   6.730   5.631 -19.965
  239   2HB   GLU  28          2HB       GLU  28   5.034   5.471 -20.393
  240   1HG   GLU  28          1HG       GLU  28   6.427   7.933 -19.373
  241   2HG   GLU  28          2HG       GLU  28   5.787   7.658 -20.990
  242    HA   PRO  29           HA       PRO  29   5.791   1.621 -16.765
  243   1HB   PRO  29          1HB       PRO  29   3.014   0.832 -17.272
  244   2HB   PRO  29          2HB       PRO  29   3.921   0.818 -15.758
  245   1HG   PRO  29          1HG       PRO  29   1.931   2.572 -16.206
  246   2HG   PRO  29          2HG       PRO  29   3.361   2.995 -15.247
  247   1HD   PRO  29          1HD       PRO  29   2.736   3.652 -18.105
  248   2HD   PRO  29          2HD       PRO  29   3.427   4.690 -16.836
  249    H    GLN  30           H        GLN  30   6.257  -0.293 -17.796
  250    HA   GLN  30           HA       GLN  30   5.831  -0.250 -20.696
  251   1HB   GLN  30          1HB       GLN  30   7.746  -1.954 -19.092
  252   2HB   GLN  30          2HB       GLN  30   7.727  -1.749 -20.837
  253   1HG   GLN  30          1HG       GLN  30   8.324   0.414 -18.829
  254   2HG   GLN  30          2HG       GLN  30   9.520  -0.475 -19.770
  255   1HE2  GLN  30          1HE2      GLN  30   8.894   2.392 -19.664
  256   2HE2  GLN  30          2HE2      GLN  30   8.547   2.860 -21.292
  257    HA   PRO  31           HA       PRO  31   2.912  -3.605 -20.478
  258   1HB   PRO  31          1HB       PRO  31   3.533  -4.770 -22.913
  259   2HB   PRO  31          2HB       PRO  31   2.417  -3.419 -22.693
  260   1HG   PRO  31          1HG       PRO  31   5.279  -3.398 -23.548
  261   2HG   PRO  31          2HG       PRO  31   3.926  -2.404 -24.121
  262   1HD   PRO  31          1HD       PRO  31   5.771  -1.439 -22.421
  263   2HD   PRO  31          2HD       PRO  31   4.065  -0.955 -22.320
  264    H    HIS  32           H        HIS  32   6.224  -4.207 -21.515
  265    HA   HIS  32           HA       HIS  32   6.356  -6.966 -21.093
  266   1HB   HIS  32          1HB       HIS  32   8.065  -5.605 -22.282
  267   2HB   HIS  32          2HB       HIS  32   8.559  -4.919 -20.739
  268    HD1  HIS  32           HD1      HIS  32   8.910  -7.911 -22.882
  269    HD2  HIS  32           HD2      HIS  32   9.979  -6.709 -19.046
  270    HE1  HIS  32           HE1      HIS  32  10.612  -9.588 -22.097
  271    HE2  HIS  32           HE2      HIS  32  11.017  -8.992 -19.681
  272    H    GLN  33           H        GLN  33   6.557  -4.275 -18.900
  273    HA   GLN  33           HA       GLN  33   7.745  -5.491 -16.678
  274   1HB   GLN  33          1HB       GLN  33   6.819  -3.003 -17.308
  275   2HB   GLN  33          2HB       GLN  33   5.604  -3.528 -16.156
  276   1HG   GLN  33          1HG       GLN  33   7.246  -3.821 -14.454
  277   2HG   GLN  33          2HG       GLN  33   8.558  -3.551 -15.604
  278   1HE2  GLN  33          1HE2      GLN  33   7.966  -2.111 -13.144
  279   2HE2  GLN  33          2HE2      GLN  33   7.720  -0.457 -13.615
  280    H    PHE  34           H        PHE  34   4.314  -5.028 -17.478
  281    HA   PHE  34           HA       PHE  34   3.439  -6.597 -15.240
  282   1HB   PHE  34          1HB       PHE  34   1.893  -5.492 -17.596
  283   2HB   PHE  34          2HB       PHE  34   1.176  -6.223 -16.162
  284    HD1  PHE  34           HD2      PHE  34   1.341  -5.094 -13.984
  285    HD2  PHE  34           HD1      PHE  34   2.721  -3.262 -17.568
  286    HE1  PHE  34           HE2      PHE  34   1.373  -2.911 -12.851
  287    HE2  PHE  34           HE1      PHE  34   2.757  -1.075 -16.440
  288    HZ   PHE  34           HZ       PHE  34   2.082  -0.898 -14.078
  289    H    ASN  35           H        ASN  35   4.271  -7.229 -18.520
  290    HA   ASN  35           HA       ASN  35   2.753  -9.642 -18.799
  291   1HB   ASN  35          1HB       ASN  35   3.580  -8.278 -20.741
  292   2HB   ASN  35          2HB       ASN  35   5.213  -8.820 -20.363
  293   1HD2  ASN  35          1HD2      ASN  35   5.463  -9.871 -22.322
  294   2HD2  ASN  35          2HD2      ASN  35   4.633 -11.345 -22.697
  295    H    SER  36           H        SER  36   5.708  -8.803 -17.296
  296    HA   SER  36           HA       SER  36   6.860 -11.389 -17.156
  297   1HB   SER  36          1HB       SER  36   7.077  -9.128 -15.146
  298   2HB   SER  36          2HB       SER  36   8.184 -10.490 -15.313
  299    HG   SER  36           HG       SER  36   7.677  -8.550 -17.336
  300    H    THR  37           H        THR  37   4.342  -9.713 -15.469
  301    HA   THR  37           HA       THR  37   2.695 -10.370 -14.080
  302    HB   THR  37           HB       THR  37   3.245 -13.128 -15.191
  303    HG1  THR  37           HG1      THR  37   2.193 -10.799 -16.316
  304   1HG2  THR  37          1HG2      THR  37   1.622 -13.078 -13.338
  305   2HG2  THR  37          2HG2      THR  37   0.837 -13.461 -14.870
  306   3HG2  THR  37          3HG2      THR  37   0.696 -11.840 -14.189
  307    H    GLN  38           H        GLN  38   4.716  -9.909 -12.572
  308    HA   GLN  38           HA       GLN  38   4.882 -12.184 -10.715
  309   1HB   GLN  38          1HB       GLN  38   6.755  -9.853 -11.128
  310   2HB   GLN  38          2HB       GLN  38   6.845 -10.917  -9.732
  311   1HG   GLN  38          1HG       GLN  38   7.171 -12.827 -11.280
  312   2HG   GLN  38          2HG       GLN  38   7.227 -11.677 -12.616
  313   1HE2  GLN  38          1HE2      GLN  38   9.251 -13.540 -11.552
  314   2HE2  GLN  38          2HE2      GLN  38  10.644 -12.567 -11.196
  315    HA   PRO  39           HA       PRO  39   2.205 -10.122  -7.950
  316   1HB   PRO  39          1HB       PRO  39   3.428 -10.754  -5.545
  317   2HB   PRO  39          2HB       PRO  39   2.304 -11.796  -6.420
  318   1HG   PRO  39          1HG       PRO  39   5.290 -11.839  -6.376
  319   2HG   PRO  39          2HG       PRO  39   4.147 -13.195  -6.392
  320   1HD   PRO  39          1HD       PRO  39   5.460 -12.458  -8.605
  321   2HD   PRO  39          2HD       PRO  39   3.775 -13.016  -8.677
  322    H    PHE  40           H        PHE  40   5.633  -9.716  -7.156
  323    HA   PHE  40           HA       PHE  40   5.037  -6.984  -6.231
  324   1HB   PHE  40          1HB       PHE  40   7.306  -8.840  -5.514
  325   2HB   PHE  40          2HB       PHE  40   7.242  -7.148  -5.038
  326    HD1  PHE  40           HD1      PHE  40   5.602  -6.382  -3.411
  327    HD2  PHE  40           HD2      PHE  40   5.958 -10.491  -4.443
  328    HE1  PHE  40           HE1      PHE  40   4.343  -6.994  -1.390
  329    HE2  PHE  40           HE2      PHE  40   4.696 -11.111  -2.427
  330    HZ   PHE  40           HZ       PHE  40   3.893  -9.361  -0.899
  331    H    PHE  41           H        PHE  41   6.150  -8.516  -8.881
  332    HA   PHE  41           HA       PHE  41   7.614  -8.127 -10.573
  333   1HB   PHE  41          1HB       PHE  41   7.189  -5.263  -9.693
  334   2HB   PHE  41          2HB       PHE  41   7.890  -5.758 -11.232
  335    HD1  PHE  41           HD2      PHE  41   6.447  -7.246 -12.746
  336    HD2  PHE  41           HD1      PHE  41   4.895  -4.988  -9.492
  337    HE1  PHE  41           HE2      PHE  41   4.196  -7.388 -13.728
  338    HE2  PHE  41           HE1      PHE  41   2.640  -5.127 -10.465
  339    HZ   PHE  41           HZ       PHE  41   2.290  -6.328 -12.586
  340    H    MET  42           H        MET  42   9.356  -9.202  -9.657
  341    HA   MET  42           HA       MET  42  11.211  -7.617  -8.026
  342   1HB   MET  42          1HB       MET  42  11.092 -10.618  -8.390
  343   2HB   MET  42          2HB       MET  42  12.078  -9.743  -7.227
  344   1HG   MET  42          1HG       MET  42  10.117  -9.017  -6.036
  345   2HG   MET  42          2HG       MET  42   9.069  -9.736  -7.256
  346   1HE   MET  42          1HE       MET  42   7.667 -11.126  -5.500
  347   2HE   MET  42          2HE       MET  42   8.591 -10.326  -4.228
  348   3HE   MET  42          3HE       MET  42   8.401 -12.079  -4.209
  349    H    ASP  43           H        ASP  43  11.037  -9.722 -10.855
  350    HA   ASP  43           HA       ASP  43  13.873  -9.377 -11.400
  351   1HB   ASP  43          1HB       ASP  43  11.705 -10.947 -12.792
  352   2HB   ASP  43          2HB       ASP  43  13.340 -10.807 -13.427
  353    H    THR  44           H        THR  44  10.964  -7.821 -12.181
  354    HA   THR  44           HA       THR  44  11.416  -7.054 -14.845
  355    HB   THR  44           HB       THR  44   9.877  -5.110 -14.272
  356    HG1  THR  44           HG1      THR  44   9.377  -4.793 -12.223
  357   1HG2  THR  44          1HG2      THR  44   8.948  -7.901 -13.580
  358   2HG2  THR  44          2HG2      THR  44   9.042  -7.213 -15.203
  359   3HG2  THR  44          3HG2      THR  44   7.907  -6.549 -14.027
  360    H    MET  45           H        MET  45  11.706  -4.958 -11.979
  361    HA   MET  45           HA       MET  45  14.259  -3.987 -13.019
  362   1HB   MET  45          1HB       MET  45  12.655  -2.374 -13.839
  363   2HB   MET  45          2HB       MET  45  11.929  -2.224 -12.246
  364   1HG   MET  45          1HG       MET  45  14.002  -1.242 -11.399
  365   2HG   MET  45          2HG       MET  45  14.716  -1.380 -13.004
  366   1HE   MET  45          1HE       MET  45  10.998   1.233 -12.198
  367   2HE   MET  45          2HE       MET  45  11.728   0.202 -10.966
  368   3HE   MET  45          3HE       MET  45  10.953  -0.521 -12.377
  369    H    GLU  46           H        GLU  46  12.091  -2.973 -10.374
  370    HA   GLU  46           HA       GLU  46  13.807  -4.140  -8.358
  371   1HB   GLU  46          1HB       GLU  46  13.709  -1.151  -8.772
  372   2HB   GLU  46          2HB       GLU  46  14.124  -1.867  -7.221
  373   1HG   GLU  46          1HG       GLU  46  16.041  -2.955  -8.184
  374   2HG   GLU  46          2HG       GLU  46  15.592  -2.394  -9.793
  375    HA   PRO  47           HA       PRO  47   9.832  -4.562  -6.557
  376   1HB   PRO  47          1HB       PRO  47  11.249  -4.580  -3.954
  377   2HB   PRO  47          2HB       PRO  47  10.189  -5.796  -4.671
  378   1HG   PRO  47          1HG       PRO  47  12.817  -6.184  -4.570
  379   2HG   PRO  47          2HG       PRO  47  11.881  -6.681  -5.993
  380   1HD   PRO  47          1HD       PRO  47  13.626  -4.277  -5.617
  381   2HD   PRO  47          2HD       PRO  47  13.467  -5.344  -7.028
  382    H    LEU  48           H        LEU  48  11.652  -1.804  -6.103
  383    HA   LEU  48           HA       LEU  48   9.937  -0.568  -4.125
  384   1HB   LEU  48          1HB       LEU  48  12.377  -0.047  -4.326
  385   2HB   LEU  48          2HB       LEU  48  12.047   0.697  -5.878
  386    HG   LEU  48           HG       LEU  48  10.601   2.359  -4.759
  387   1HD1  LEU  48          1HD1      LEU  48  10.649   2.540  -2.319
  388   2HD1  LEU  48          2HD1      LEU  48  11.561   1.033  -2.226
  389   3HD1  LEU  48          3HD1      LEU  48   9.909   1.027  -2.845
  390   1HD2  LEU  48          1HD2      LEU  48  12.947   2.866  -5.178
  391   2HD2  LEU  48          2HD2      LEU  48  13.389   2.151  -3.628
  392   3HD2  LEU  48          3HD2      LEU  48  12.401   3.611  -3.676
  393    H    GLU  49           H        GLU  49  10.003  -1.035  -7.511
  394    HA   GLU  49           HA       GLU  49   8.542   1.247  -8.371
  395   1HB   GLU  49          1HB       GLU  49   8.151  -0.020 -10.422
  396   2HB   GLU  49          2HB       GLU  49   9.820  -0.219  -9.908
  397   1HG   GLU  49          1HG       GLU  49   9.084  -2.391  -8.827
  398   2HG   GLU  49          2HG       GLU  49   7.571  -2.199  -9.709
  399    H    TRP  50           H        TRP  50   7.727  -1.591  -6.711
  400    HA   TRP  50           HA       TRP  50   5.101  -2.042  -7.594
  401   1HB   TRP  50          1HB       TRP  50   6.666  -3.617  -6.379
  402   2HB   TRP  50          2HB       TRP  50   6.257  -2.755  -4.901
  403    HD1  TRP  50           HD1      TRP  50   4.555  -4.869  -7.637
  404    HE1  TRP  50           HE1      TRP  50   2.539  -6.060  -6.580
  405    HE3  TRP  50           HE3      TRP  50   4.715  -2.749  -2.997
  406    HZ2  TRP  50           HZ2      TRP  50   1.186  -6.088  -4.101
  407    HZ3  TRP  50           HZ3      TRP  50   3.027  -3.412  -1.339
  408    HH2  TRP  50           HH2      TRP  50   1.298  -5.044  -1.882
  409    H    LEU  51           H        LEU  51   6.417  -0.035  -5.009
  410    HA   LEU  51           HA       LEU  51   3.917   0.375  -3.699
  411   1HB   LEU  51          1HB       LEU  51   6.558   1.804  -3.507
  412   2HB   LEU  51          2HB       LEU  51   5.164   2.243  -2.540
  413    HG   LEU  51           HG       LEU  51   6.565  -0.432  -2.484
  414   1HD1  LEU  51          1HD1      LEU  51   7.896   1.352  -1.484
  415   2HD1  LEU  51          2HD1      LEU  51   7.282   0.251  -0.249
  416   3HD1  LEU  51          3HD1      LEU  51   6.524   1.827  -0.484
  417   1HD2  LEU  51          1HD2      LEU  51   5.117  -0.912  -0.580
  418   2HD2  LEU  51          2HD2      LEU  51   4.166  -0.615  -2.035
  419   3HD2  LEU  51          3HD2      LEU  51   4.300   0.636  -0.799
  420    H    GLN  52           H        GLN  52   5.424   1.844  -6.427
  421    HA   GLN  52           HA       GLN  52   4.152   4.396  -6.071
  422   1HB   GLN  52          1HB       GLN  52   5.775   3.230  -8.322
  423   2HB   GLN  52          2HB       GLN  52   5.049   4.831  -8.405
  424   1HG   GLN  52          1HG       GLN  52   6.314   5.498  -6.415
  425   2HG   GLN  52          2HG       GLN  52   7.054   3.900  -6.361
  426   1HE2  GLN  52          1HE2      GLN  52   8.237   6.581  -6.688
  427   2HE2  GLN  52          2HE2      GLN  52   9.162   6.494  -8.146
  428    H    TRP  53           H        TRP  53   3.980   2.454  -9.059
  429    HA   TRP  53           HA       TRP  53   1.212   3.410  -9.257
  430   1HB   TRP  53          1HB       TRP  53   2.952   4.080 -11.000
  431   2HB   TRP  53          2HB       TRP  53   2.895   2.409 -11.553
  432    HD1  TRP  53           HD1      TRP  53   0.477   5.403 -11.083
  433    HE1  TRP  53           HE1      TRP  53  -1.366   5.240 -12.877
  434    HE3  TRP  53           HE3      TRP  53   1.842   0.975 -13.244
  435    HZ2  TRP  53           HZ2      TRP  53  -2.123   3.473 -14.942
  436    HZ3  TRP  53           HZ3      TRP  53   0.506   0.120 -15.123
  437    HH2  TRP  53           HH2      TRP  53  -1.435   1.343 -15.953
  438    H    VAL  54           H        VAL  54   2.528   0.732  -8.150
  439    HA   VAL  54           HA       VAL  54   0.754  -1.046  -9.668
  440    HB   VAL  54           HB       VAL  54   2.873  -1.859  -7.678
  441   1HG1  VAL  54          1HG1      VAL  54   1.037  -3.461  -7.891
  442   2HG1  VAL  54          2HG1      VAL  54   2.520  -4.103  -8.598
  443   3HG1  VAL  54          3HG1      VAL  54   1.245  -3.475  -9.642
  444   1HG2  VAL  54          1HG2      VAL  54   4.164  -2.571  -9.645
  445   2HG2  VAL  54          2HG2      VAL  54   3.889  -0.829  -9.636
  446   3HG2  VAL  54          3HG2      VAL  54   2.935  -1.867 -10.695
  447    H    LEU  55           H        LEU  55   1.774  -0.795  -6.249
  448    HA   LEU  55           HA       LEU  55  -0.289  -2.301  -5.199
  449   1HB   LEU  55          1HB       LEU  55   1.668  -1.726  -3.915
  450   2HB   LEU  55          2HB       LEU  55   1.232  -0.028  -3.934
  451    HG   LEU  55           HG       LEU  55  -0.722  -0.500  -2.532
  452   1HD1  LEU  55          1HD1      LEU  55  -1.030  -2.702  -1.534
  453   2HD1  LEU  55          2HD1      LEU  55   0.274  -3.340  -2.534
  454   3HD1  LEU  55          3HD1      LEU  55  -1.210  -2.755  -3.286
  455   1HD2  LEU  55          1HD2      LEU  55   1.846  -1.628  -1.441
  456   2HD2  LEU  55          2HD2      LEU  55   0.474  -1.070  -0.482
  457   3HD2  LEU  55          3HD2      LEU  55   1.384   0.074  -1.469
  458    H    ILE  56           H        ILE  56  -0.195   1.262  -5.420
  459    HA   ILE  56           HA       ILE  56  -2.632   1.646  -4.106
  460    HB   ILE  56           HB       ILE  56  -1.203   3.490  -6.020
  461   1HG1  ILE  56          1HG1      ILE  56  -1.340   3.429  -3.004
  462   2HG1  ILE  56          2HG1      ILE  56   0.025   2.872  -3.967
  463   1HG2  ILE  56          1HG2      ILE  56  -2.573   5.279  -5.074
  464   2HG2  ILE  56          2HG2      ILE  56  -3.491   4.084  -4.156
  465   3HG2  ILE  56          3HG2      ILE  56  -3.557   4.085  -5.919
  466   1HD1  ILE  56          1HD1      ILE  56  -1.013   5.693  -3.817
  467   2HD1  ILE  56          2HD1      ILE  56   0.331   5.147  -4.821
  468   3HD1  ILE  56          3HD1      ILE  56   0.454   5.071  -3.063
  469    HA   PRO  57           HA       PRO  57  -4.883   2.063  -8.357
  470   1HB   PRO  57          1HB       PRO  57  -3.094   0.744 -10.292
  471   2HB   PRO  57          2HB       PRO  57  -3.976   2.268 -10.433
  472   1HG   PRO  57          1HG       PRO  57  -1.320   2.232 -10.133
  473   2HG   PRO  57          2HG       PRO  57  -2.320   3.479  -9.361
  474   1HD   PRO  57          1HD       PRO  57  -1.134   0.993  -8.165
  475   2HD   PRO  57          2HD       PRO  57  -1.176   2.642  -7.517
  476    H    ARG  58           H        ARG  58  -2.791  -0.755  -7.876
  477    HA   ARG  58           HA       ARG  58  -4.510  -2.669  -9.040
  478   1HB   ARG  58          1HB       ARG  58  -2.116  -3.078  -8.528
  479   2HB   ARG  58          2HB       ARG  58  -2.509  -3.091  -6.814
  480   1HG   ARG  58          1HG       ARG  58  -3.877  -5.055  -7.098
  481   2HG   ARG  58          2HG       ARG  58  -3.627  -5.012  -8.845
  482   1HD   ARG  58          1HD       ARG  58  -1.206  -5.323  -8.475
  483   2HD   ARG  58          2HD       ARG  58  -1.507  -5.445  -6.742
  484    HE   ARG  58           HE       ARG  58  -3.014  -7.409  -7.462
  485   1HH1  ARG  58          1HH1      ARG  58   0.018  -6.509  -8.978
  486   2HH1  ARG  58          2HH1      ARG  58   0.352  -8.109  -9.567
  487   1HH2  ARG  58          1HH2      ARG  58  -2.575  -9.518  -8.227
  488   2HH2  ARG  58          2HH2      ARG  58  -1.101  -9.832  -9.100
  489    H    MET  59           H        MET  59  -4.110  -1.571  -5.686
  490    HA   MET  59           HA       MET  59  -6.231  -3.253  -4.736
  491   1HB   MET  59          1HB       MET  59  -4.707  -0.994  -3.444
  492   2HB   MET  59          2HB       MET  59  -5.987  -1.881  -2.625
  493   1HG   MET  59          1HG       MET  59  -3.403  -3.003  -3.679
  494   2HG   MET  59          2HG       MET  59  -3.851  -2.773  -1.989
  495   1HE   MET  59          1HE       MET  59  -2.758  -5.530  -3.237
  496   2HE   MET  59          2HE       MET  59  -3.818  -6.687  -2.432
  497   3HE   MET  59          3HE       MET  59  -3.155  -5.322  -1.532
  498    H    HIS  60           H        HIS  60  -6.005  -0.030  -6.015
  499    HA   HIS  60           HA       HIS  60  -8.499   0.932  -5.117
  500   1HB   HIS  60          1HB       HIS  60  -6.559   1.696  -7.181
  501   2HB   HIS  60          2HB       HIS  60  -8.225   2.098  -7.583
  502    HD1  HIS  60           HD1      HIS  60  -9.504   3.625  -5.803
  503    HD2  HIS  60           HD2      HIS  60  -5.370   3.377  -5.386
  504    HE1  HIS  60           HE1      HIS  60  -8.845   5.561  -4.325
  505    HE2  HIS  60           HE2      HIS  60  -6.324   5.495  -4.241
  506    H    ASP  61           H        ASP  61  -7.570  -0.817  -8.053
  507    HA   ASP  61           HA       ASP  61 -10.120  -0.930  -9.226
  508   1HB   ASP  61          1HB       ASP  61  -7.916  -1.498 -10.323
  509   2HB   ASP  61          2HB       ASP  61  -7.960  -3.035  -9.465
  510    H    LEU  62           H        LEU  62  -8.711  -2.666  -6.607
  511    HA   LEU  62           HA       LEU  62 -10.685  -4.765  -6.522
  512   1HB   LEU  62          1HB       LEU  62  -8.375  -5.042  -5.651
  513   2HB   LEU  62          2HB       LEU  62  -8.711  -3.836  -4.427
  514    HG   LEU  62           HG       LEU  62 -10.610  -5.439  -3.690
  515   1HD1  LEU  62          1HD1      LEU  62  -8.845  -7.329  -5.239
  516   2HD1  LEU  62          2HD1      LEU  62 -10.524  -6.928  -5.604
  517   3HD1  LEU  62          3HD1      LEU  62 -10.128  -7.802  -4.124
  518   1HD2  LEU  62          1HD2      LEU  62  -7.711  -6.152  -3.260
  519   2HD2  LEU  62          2HD2      LEU  62  -9.062  -6.645  -2.237
  520   3HD2  LEU  62          3HD2      LEU  62  -8.626  -4.940  -2.362
  521    H    LEU  63           H        LEU  63  -9.878  -2.016  -4.415
  522    HA   LEU  63           HA       LEU  63 -12.073  -2.341  -2.676
  523   1HB   LEU  63          1HB       LEU  63 -10.381   0.103  -3.187
  524   2HB   LEU  63          2HB       LEU  63 -11.426  -0.144  -1.799
  525    HG   LEU  63           HG       LEU  63  -9.107  -1.955  -2.440
  526   1HD1  LEU  63          1HD1      LEU  63  -9.188   0.427  -0.596
  527   2HD1  LEU  63          2HD1      LEU  63  -8.270   0.302  -2.098
  528   3HD1  LEU  63          3HD1      LEU  63  -7.865  -0.731  -0.728
  529   1HD2  LEU  63          1HD2      LEU  63 -10.715  -1.506   0.070
  530   2HD2  LEU  63          2HD2      LEU  63  -9.342  -2.600  -0.095
  531   3HD2  LEU  63          3HD2      LEU  63 -10.826  -2.906  -0.997
  532    H    ASP  64           H        ASP  64 -11.616  -0.286  -5.519
  533    HA   ASP  64           HA       ASP  64 -14.062   1.156  -5.074
  534   1HB   ASP  64          1HB       ASP  64 -12.153   1.067  -7.411
  535   2HB   ASP  64          2HB       ASP  64 -13.627   2.030  -7.417
  536    H    ASN  65           H        ASN  65 -13.478  -1.920  -6.030
  537    HA   ASN  65           HA       ASN  65 -16.126  -2.046  -7.315
  538   1HB   ASN  65          1HB       ASN  65 -13.672  -3.721  -7.841
  539   2HB   ASN  65          2HB       ASN  65 -15.286  -4.289  -8.258
  540   1HD2  ASN  65          1HD2      ASN  65 -12.700  -2.176  -9.086
  541   2HD2  ASN  65          2HD2      ASN  65 -13.403  -1.539 -10.537
  542    H    LYS  66           H        LYS  66 -15.054  -2.125  -4.510
  543    HA   LYS  66           HA       LYS  66 -15.575  -3.071  -2.536
  544   1HB   LYS  66          1HB       LYS  66 -17.479  -4.832  -4.091
  545   2HB   LYS  66          2HB       LYS  66 -17.489  -4.561  -2.350
  546   1HG   LYS  66          1HG       LYS  66 -18.001  -2.206  -2.714
  547   2HG   LYS  66          2HG       LYS  66 -17.968  -2.464  -4.457
  548   1HD   LYS  66          1HD       LYS  66 -19.810  -4.135  -4.151
  549   2HD   LYS  66          2HD       LYS  66 -19.912  -3.616  -2.467
  550   1HE   LYS  66          1HE       LYS  66 -20.352  -1.917  -4.919
  551   2HE   LYS  66          2HE       LYS  66 -21.577  -2.453  -3.771
  552   1HZ   LYS  66          1HZ       LYS  66 -20.405  -1.161  -2.046
  553   2HZ   LYS  66          2HZ       LYS  66 -20.993  -0.191  -3.308
  554   3HZ   LYS  66          3HZ       LYS  66 -19.340  -0.567  -3.229
  555    H    GLN  67           H        GLN  67 -16.233  -6.129  -4.119
  556    HA   GLN  67           HA       GLN  67 -15.138  -8.112  -4.226
  557   1HB   GLN  67          1HB       GLN  67 -12.678  -6.364  -4.052
  558   2HB   GLN  67          2HB       GLN  67 -12.685  -8.059  -4.513
  559   1HG   GLN  67          1HG       GLN  67 -14.163  -5.914  -6.012
  560   2HG   GLN  67          2HG       GLN  67 -12.527  -6.436  -6.402
  561   1HE2  GLN  67          1HE2      GLN  67 -13.072  -7.157  -8.423
  562   2HE2  GLN  67          2HE2      GLN  67 -14.026  -8.579  -8.687
  563    HA   PRO  68           HA       PRO  68 -13.837  -9.401  -0.105
  564   1HB   PRO  68          1HB       PRO  68 -12.056 -11.417  -1.235
  565   2HB   PRO  68          2HB       PRO  68 -13.556 -11.643  -0.334
  566   1HG   PRO  68          1HG       PRO  68 -13.337 -12.204  -2.977
  567   2HG   PRO  68          2HG       PRO  68 -14.850 -11.652  -2.233
  568   1HD   PRO  68          1HD       PRO  68 -12.840 -10.098  -3.822
  569   2HD   PRO  68          2HD       PRO  68 -14.615 -10.030  -3.877
  570    H    LEU  69           H        LEU  69 -11.921  -9.486   1.262
  571    HA   LEU  69           HA       LEU  69  -9.702  -7.957   0.082
  572   1HB   LEU  69          1HB       LEU  69 -10.739  -8.077   2.906
  573   2HB   LEU  69          2HB       LEU  69  -9.199  -7.348   2.488
  574    HG   LEU  69           HG       LEU  69 -11.897  -6.442   1.481
  575   1HD1  LEU  69          1HD1      LEU  69 -11.562  -5.938   3.839
  576   2HD1  LEU  69          2HD1      LEU  69 -11.491  -4.469   2.866
  577   3HD1  LEU  69          3HD1      LEU  69 -10.005  -5.199   3.472
  578   1HD2  LEU  69          1HD2      LEU  69 -10.127  -6.081  -0.159
  579   2HD2  LEU  69          2HD2      LEU  69  -9.145  -5.279   1.067
  580   3HD2  LEU  69          3HD2      LEU  69 -10.663  -4.553   0.540
  581    HA   PRO  70           HA       PRO  70  -7.219 -11.603   0.829
  582   1HB   PRO  70          1HB       PRO  70  -4.881 -10.495  -0.021
  583   2HB   PRO  70          2HB       PRO  70  -6.114 -11.104  -1.130
  584   1HG   PRO  70          1HG       PRO  70  -5.564  -8.292  -0.272
  585   2HG   PRO  70          2HG       PRO  70  -5.944  -8.919  -1.887
  586   1HD   PRO  70          1HD       PRO  70  -7.792  -7.712  -0.317
  587   2HD   PRO  70          2HD       PRO  70  -8.206  -9.007  -1.459
  588    H    GLY  71           H        GLY  71  -7.358 -11.597   3.083
  589   1HA   GLY  71          1HA       GLY  71  -6.252  -9.485   4.665
  590   2HA   GLY  71          2HA       GLY  71  -6.969 -10.972   5.259
  591    H    ALA  72           H        ALA  72  -4.842 -12.220   3.258
  592    HA   ALA  72           HA       ALA  72  -2.838 -12.510   5.347
  593   1HB   ALA  72          1HB       ALA  72  -3.664 -14.521   4.226
  594   2HB   ALA  72          2HB       ALA  72  -1.932 -14.310   3.961
  595   3HB   ALA  72          3HB       ALA  72  -3.076 -13.904   2.681
  596    H    PHE  73           H        PHE  73  -3.276 -10.115   3.576
  597    HA   PHE  73           HA       PHE  73  -0.935  -9.821   1.969
  598   1HB   PHE  73          1HB       PHE  73  -3.158  -8.602   1.712
  599   2HB   PHE  73          2HB       PHE  73  -2.681  -7.625   3.093
  600    HD1  PHE  73           HD1      PHE  73  -1.460  -8.677  -0.261
  601    HD2  PHE  73           HD2      PHE  73  -1.557  -5.650   2.729
  602    HE1  PHE  73           HE1      PHE  73  -0.309  -7.133  -1.791
  603    HE2  PHE  73           HE2      PHE  73  -0.405  -4.102   1.201
  604    HZ   PHE  73           HZ       PHE  73   0.218  -4.844  -1.059
  605    H    ALA  74           H        ALA  74   1.058  -9.407   2.666
  606    HA   ALA  74           HA       ALA  74   1.474  -7.707   4.990
  607   1HB   ALA  74          1HB       ALA  74   2.973  -9.273   6.097
  608   2HB   ALA  74          2HB       ALA  74   2.640 -10.486   4.860
  609   3HB   ALA  74          3HB       ALA  74   1.355  -9.961   5.948
  610    H    VAL  75           H        VAL  75   2.540  -6.175   3.847
  611    HA   VAL  75           HA       VAL  75   4.749  -7.079   2.124
  612    HB   VAL  75           HB       VAL  75   4.692  -4.843   1.105
  613   1HG1  VAL  75          1HG1      VAL  75   2.024  -6.239   1.134
  614   2HG1  VAL  75          2HG1      VAL  75   3.416  -6.695   0.153
  615   3HG1  VAL  75          3HG1      VAL  75   2.614  -5.147  -0.119
  616   1HG2  VAL  75          1HG2      VAL  75   2.814  -3.335   1.569
  617   2HG2  VAL  75          2HG2      VAL  75   3.826  -3.567   2.995
  618   3HG2  VAL  75          3HG2      VAL  75   2.279  -4.404   2.867
  619    H    ALA  76           H        ALA  76   4.110  -5.558   5.107
  620    HA   ALA  76           HA       ALA  76   6.316  -3.868   5.361
  621   1HB   ALA  76          1HB       ALA  76   4.480  -3.931   6.973
  622   2HB   ALA  76          2HB       ALA  76   6.051  -4.082   7.762
  623   3HB   ALA  76          3HB       ALA  76   5.036  -5.506   7.540
  624    HA   PRO  77           HA       PRO  77   8.896  -7.648   7.039
  625   1HB   PRO  77          1HB       PRO  77   8.053 -10.111   6.187
  626   2HB   PRO  77          2HB       PRO  77   7.646  -9.420   7.762
  627   1HG   PRO  77          1HG       PRO  77   6.026  -9.490   5.248
  628   2HG   PRO  77          2HG       PRO  77   5.512  -9.785   6.920
  629   1HD   PRO  77          1HD       PRO  77   5.039  -7.446   5.690
  630   2HD   PRO  77          2HD       PRO  77   5.423  -7.526   7.423
  631    H    TYR  78           H        TYR  78   7.330  -7.531   3.933
  632    HA   TYR  78           HA       TYR  78   9.405  -8.872   2.486
  633   1HB   TYR  78          1HB       TYR  78   7.141  -8.791   1.582
  634   2HB   TYR  78          2HB       TYR  78   7.190  -7.032   1.541
  635    HD1  TYR  78           HD1      TYR  78   8.831 -10.053   0.106
  636    HD2  TYR  78           HD2      TYR  78   7.941  -5.920  -0.369
  637    HE1  TYR  78           HE1      TYR  78   9.716 -10.129  -2.189
  638    HE2  TYR  78           HE2      TYR  78   8.822  -5.988  -2.660
  639    HH   TYR  78           HH       TYR  78  10.356  -7.321  -4.001
  640    H    TYR  79           H        TYR  79   8.542  -5.453   3.009
  641    HA   TYR  79           HA       TYR  79  10.823  -4.561   1.508
  642   1HB   TYR  79          1HB       TYR  79   8.727  -3.149   3.125
  643   2HB   TYR  79          2HB       TYR  79  10.140  -2.288   2.513
  644    HD1  TYR  79           HD2      TYR  79  10.563  -2.235   0.050
  645    HD2  TYR  79           HD1      TYR  79   6.916  -3.701   1.681
  646    HE1  TYR  79           HE2      TYR  79   9.498  -2.010  -2.152
  647    HE2  TYR  79           HE1      TYR  79   5.841  -3.482  -0.525
  648    HH   TYR  79           HH       TYR  79   7.632  -2.912  -3.387
  649    H    GLU  80           H        GLU  80  10.306  -5.562   4.718
  650    HA   GLU  80           HA       GLU  80  12.515  -4.399   5.997
  651   1HB   GLU  80          1HB       GLU  80  10.903  -5.767   7.204
  652   2HB   GLU  80          2HB       GLU  80  11.315  -7.171   6.233
  653   1HG   GLU  80          1HG       GLU  80  12.349  -7.477   8.315
  654   2HG   GLU  80          2HG       GLU  80  13.630  -7.020   7.195
  655    H    MET  81           H        MET  81  12.199  -6.944   3.652
  656    HA   MET  81           HA       MET  81  15.034  -7.624   3.787
  657   1HB   MET  81          1HB       MET  81  13.588  -9.516   3.815
  658   2HB   MET  81          2HB       MET  81  12.640  -8.900   2.470
  659   1HG   MET  81          1HG       MET  81  14.525  -9.249   0.974
  660   2HG   MET  81          2HG       MET  81  15.490  -9.856   2.319
  661   1HE   MET  81          1HE       MET  81  12.354 -10.463   0.042
  662   2HE   MET  81          2HE       MET  81  11.660 -10.486   1.663
  663   3HE   MET  81          3HE       MET  81  11.712 -11.966   0.704
  664    H    ALA  82           H        ALA  82  12.598  -6.476   1.480
  665    HA   ALA  82           HA       ALA  82  14.337  -6.555  -0.769
  666   1HB   ALA  82          1HB       ALA  82  11.905  -6.769  -0.949
  667   2HB   ALA  82          2HB       ALA  82  12.536  -5.478  -1.972
  668   3HB   ALA  82          3HB       ALA  82  11.729  -5.086  -0.454
  669    H    LEU  83           H        LEU  83  13.627  -4.062   1.594
  670    HA   LEU  83           HA       LEU  83  14.785  -2.008  -0.107
  671   1HB   LEU  83          1HB       LEU  83  12.807  -1.513   1.308
  672   2HB   LEU  83          2HB       LEU  83  13.788  -1.787   2.735
  673    HG   LEU  83           HG       LEU  83  15.235   0.115   2.070
  674   1HD1  LEU  83          1HD1      LEU  83  14.849   0.066  -0.329
  675   2HD1  LEU  83          2HD1      LEU  83  14.442   1.650   0.332
  676   3HD1  LEU  83          3HD1      LEU  83  13.160   0.512  -0.082
  677   1HD2  LEU  83          1HD2      LEU  83  13.626   1.864   2.650
  678   2HD2  LEU  83          2HD2      LEU  83  13.410   0.432   3.654
  679   3HD2  LEU  83          3HD2      LEU  83  12.298   0.751   2.323
  680    H    ALA  84           H        ALA  84  15.374  -2.190   3.345
  681    HA   ALA  84           HA       ALA  84  18.005  -3.151   3.321
  682   1HB   ALA  84          1HB       ALA  84  18.507  -1.142   2.003
  683   2HB   ALA  84          2HB       ALA  84  19.275  -1.072   3.590
  684   3HB   ALA  84          3HB       ALA  84  17.815  -0.133   3.274
  685    H    THR  85           H        THR  85  19.157  -2.424   5.418
  686    HA   THR  85           HA       THR  85  17.192  -2.401   7.562
  687    HB   THR  85           HB       THR  85  19.357  -2.666   8.949
  688    HG1  THR  85           HG1      THR  85  20.817  -2.042   7.287
  689   1HG2  THR  85          1HG2      THR  85  17.782  -4.498   8.525
  690   2HG2  THR  85          2HG2      THR  85  19.451  -5.068   8.487
  691   3HG2  THR  85          3HG2      THR  85  18.571  -4.816   6.980
  692    H    ASP  86           H        ASP  86  19.039  -0.201   5.849
  693    HA   ASP  86           HA       ASP  86  19.548   1.551   8.121
  694   1HB   ASP  86          1HB       ASP  86  20.630   1.489   5.303
  695   2HB   ASP  86          2HB       ASP  86  21.032   2.719   6.486
  696    H    HIS  87           H        HIS  87  19.674   3.965   7.070
  697    HA   HIS  87           HA       HIS  87  18.501   5.816   6.515
  698   1HB   HIS  87          1HB       HIS  87  18.342   4.511   4.300
  699   2HB   HIS  87          2HB       HIS  87  16.694   4.132   4.789
  700    HD1  HIS  87           HD1      HIS  87  18.886   7.009   3.784
  701    HD2  HIS  87           HD2      HIS  87  14.865   6.197   4.470
  702    HE1  HIS  87           HE1      HIS  87  17.635   9.031   2.961
  703    HE2  HIS  87           HE2      HIS  87  15.227   8.596   3.558
  704    HA   PRO  88           HA       PRO  88  15.728   4.782  10.008
  705   1HB   PRO  88          1HB       PRO  88  15.943   7.753  10.169
  706   2HB   PRO  88          2HB       PRO  88  16.050   6.542  11.453
  707   1HG   PRO  88          1HG       PRO  88  18.248   7.688  10.521
  708   2HG   PRO  88          2HG       PRO  88  18.228   5.954  10.894
  709   1HD   PRO  88          1HD       PRO  88  18.130   7.326   8.245
  710   2HD   PRO  88          2HD       PRO  88  18.933   5.810   8.703
  711    H    GLN  89           H        GLN  89  15.164   7.126   7.423
  712    HA   GLN  89           HA       GLN  89  12.502   7.785   8.040
  713   1HB   GLN  89          1HB       GLN  89  13.872   7.610   5.359
  714   2HB   GLN  89          2HB       GLN  89  12.246   8.236   5.579
  715   1HG   GLN  89          1HG       GLN  89  13.151   9.985   7.058
  716   2HG   GLN  89          2HG       GLN  89  14.777   9.377   6.737
  717   1HE2  GLN  89          1HE2      GLN  89  13.709  12.001   6.168
  718   2HE2  GLN  89          2HE2      GLN  89  13.842  12.221   4.454
  719    H    ARG  90           H        ARG  90  13.814   4.816   7.032
  720    HA   ARG  90           HA       ARG  90  11.682   3.714   5.576
  721   1HB   ARG  90          1HB       ARG  90  12.623   1.554   6.094
  722   2HB   ARG  90          2HB       ARG  90  13.937   2.679   5.786
  723   1HG   ARG  90          1HG       ARG  90  14.328   2.909   8.173
  724   2HG   ARG  90          2HG       ARG  90  12.976   1.827   8.510
  725   1HD   ARG  90          1HD       ARG  90  15.512   1.125   7.037
  726   2HD   ARG  90          2HD       ARG  90  15.084   0.632   8.674
  727    HE   ARG  90           HE       ARG  90  13.465  -0.186   6.361
  728   1HH1  ARG  90          1HH1      ARG  90  15.276  -0.970   9.250
  729   2HH1  ARG  90          2HH1      ARG  90  14.927  -2.671   9.154
  730   1HH2  ARG  90          1HH2      ARG  90  13.017  -2.432   6.235
  731   2HH2  ARG  90          2HH2      ARG  90  13.653  -3.501   7.454
  732    H    ALA  91           H        ALA  91  12.029   4.435   8.932
  733    HA   ALA  91           HA       ALA  91  10.213   2.619  10.058
  734   1HB   ALA  91          1HB       ALA  91  11.722   4.000  11.396
  735   2HB   ALA  91          2HB       ALA  91  10.047   4.196  11.914
  736   3HB   ALA  91          3HB       ALA  91  10.818   5.442  10.932
  737    H    LEU  92           H        LEU  92   9.727   5.782   8.563
  738    HA   LEU  92           HA       LEU  92   6.960   5.999   9.135
  739   1HB   LEU  92          1HB       LEU  92   8.530   7.211   6.855
  740   2HB   LEU  92          2HB       LEU  92   6.939   7.720   7.387
  741    HG   LEU  92           HG       LEU  92   9.477   7.928   9.011
  742   1HD1  LEU  92          1HD1      LEU  92   9.431   9.477   7.127
  743   2HD1  LEU  92          2HD1      LEU  92   9.245  10.331   8.661
  744   3HD1  LEU  92          3HD1      LEU  92   7.840  10.051   7.630
  745   1HD2  LEU  92          1HD2      LEU  92   7.528   7.587  10.426
  746   2HD2  LEU  92          2HD2      LEU  92   6.676   8.888   9.593
  747   3HD2  LEU  92          3HD2      LEU  92   8.106   9.248  10.559
  748    H    ILE  93           H        ILE  93   8.783   4.777   6.376
  749    HA   ILE  93           HA       ILE  93   6.600   4.138   4.725
  750    HB   ILE  93           HB       ILE  93   9.300   2.778   4.832
  751   1HG1  ILE  93          1HG1      ILE  93   8.380   5.126   3.155
  752   2HG1  ILE  93          2HG1      ILE  93   9.445   5.238   4.551
  753   1HG2  ILE  93          1HG2      ILE  93   7.653   1.498   3.577
  754   2HG2  ILE  93          2HG2      ILE  93   8.854   2.196   2.491
  755   3HG2  ILE  93          3HG2      ILE  93   7.253   2.924   2.621
  756   1HD1  ILE  93          1HD1      ILE  93  11.117   3.903   3.390
  757   2HD1  ILE  93          2HD1      ILE  93  10.687   5.342   2.464
  758   3HD1  ILE  93          3HD1      ILE  93  10.046   3.767   1.995
  759    H    LEU  94           H        LEU  94   8.463   2.154   7.020
  760    HA   LEU  94           HA       LEU  94   7.005  -0.222   6.680
  761   1HB   LEU  94          1HB       LEU  94   8.515   0.801   9.083
  762   2HB   LEU  94          2HB       LEU  94   7.883  -0.828   8.940
  763    HG   LEU  94           HG       LEU  94   9.984   0.398   7.150
  764   1HD1  LEU  94          1HD1      LEU  94  11.504  -1.180   8.238
  765   2HD1  LEU  94          2HD1      LEU  94  10.202  -1.690   9.315
  766   3HD1  LEU  94          3HD1      LEU  94  10.818  -0.038   9.395
  767   1HD2  LEU  94          1HD2      LEU  94  10.222  -1.861   6.246
  768   2HD2  LEU  94          2HD2      LEU  94   8.600  -1.227   5.970
  769   3HD2  LEU  94          3HD2      LEU  94   8.879  -2.407   7.249
  770    H    ALA  95           H        ALA  95   6.528   2.514   8.879
  771    HA   ALA  95           HA       ALA  95   4.425   1.461  10.394
  772   1HB   ALA  95          1HB       ALA  95   3.849   3.775  10.907
  773   2HB   ALA  95          2HB       ALA  95   4.866   4.333   9.579
  774   3HB   ALA  95          3HB       ALA  95   5.595   3.535  10.974
  775    H    GLU  96           H        GLU  96   4.405   3.258   7.348
  776    HA   GLU  96           HA       GLU  96   1.603   3.355   7.040
  777   1HB   GLU  96          1HB       GLU  96   3.493   4.636   5.785
  778   2HB   GLU  96          2HB       GLU  96   3.500   3.241   4.714
  779   1HG   GLU  96          1HG       GLU  96   2.108   4.904   3.741
  780   2HG   GLU  96          2HG       GLU  96   1.068   3.608   4.330
  781    H    LEU  97           H        LEU  97   4.060   1.057   5.970
  782    HA   LEU  97           HA       LEU  97   2.384  -0.626   4.459
  783   1HB   LEU  97          1HB       LEU  97   4.897  -1.315   5.986
  784   2HB   LEU  97          2HB       LEU  97   4.143  -2.331   4.773
  785    HG   LEU  97           HG       LEU  97   5.359   0.389   4.281
  786   1HD1  LEU  97          1HD1      LEU  97   7.061  -0.852   3.047
  787   2HD1  LEU  97          2HD1      LEU  97   6.304  -2.371   3.524
  788   3HD1  LEU  97          3HD1      LEU  97   7.026  -1.323   4.746
  789   1HD2  LEU  97          1HD2      LEU  97   3.478  -0.033   2.795
  790   2HD2  LEU  97          2HD2      LEU  97   4.156  -1.602   2.360
  791   3HD2  LEU  97          3HD2      LEU  97   5.002  -0.122   1.911
  792    H    GLU  98           H        GLU  98   3.462  -0.870   7.850
  793    HA   GLU  98           HA       GLU  98   2.037  -3.176   8.530
  794   1HB   GLU  98          1HB       GLU  98   2.807  -0.808  10.241
  795   2HB   GLU  98          2HB       GLU  98   2.154  -2.309  10.881
  796   1HG   GLU  98          1HG       GLU  98   4.081  -3.512   9.914
  797   2HG   GLU  98          2HG       GLU  98   4.746  -1.964   9.395
  798    H    LYS  99           H        LYS  99   1.047   0.180   8.379
  799    HA   LYS  99           HA       LYS  99  -1.470  -0.112   9.628
  800   1HB   LYS  99          1HB       LYS  99  -0.395   2.068   9.288
  801   2HB   LYS  99          2HB       LYS  99  -0.573   1.894   7.549
  802   1HG   LYS  99          1HG       LYS  99  -2.963   2.016   7.725
  803   2HG   LYS  99          2HG       LYS  99  -2.873   2.000   9.487
  804   1HD   LYS  99          1HD       LYS  99  -3.246   4.263   8.692
  805   2HD   LYS  99          2HD       LYS  99  -1.649   4.132   9.426
  806   1HE   LYS  99          1HE       LYS  99  -0.667   3.895   7.183
  807   2HE   LYS  99          2HE       LYS  99  -2.270   4.107   6.480
  808   1HZ   LYS  99          1HZ       LYS  99  -0.849   6.110   8.158
  809   2HZ   LYS  99          2HZ       LYS  99  -2.372   6.319   7.438
  810   3HZ   LYS  99          3HZ       LYS  99  -0.987   6.159   6.468
  811    H    LEU 100           H        LEU 100  -0.388  -0.442   6.291
  812    HA   LEU 100           HA       LEU 100  -2.995  -0.838   5.197
  813   1HB   LEU 100          1HB       LEU 100  -1.135  -0.049   3.825
  814   2HB   LEU 100          2HB       LEU 100  -0.271  -1.549   4.105
  815    HG   LEU 100           HG       LEU 100  -2.001  -2.784   2.873
  816   1HD1  LEU 100          1HD1      LEU 100  -3.194  -0.063   2.359
  817   2HD1  LEU 100          2HD1      LEU 100  -3.900  -1.330   3.363
  818   3HD1  LEU 100          3HD1      LEU 100  -3.717  -1.580   1.626
  819   1HD2  LEU 100          1HD2      LEU 100  -1.467  -1.927   0.651
  820   2HD2  LEU 100          2HD2      LEU 100  -0.042  -1.943   1.691
  821   3HD2  LEU 100          3HD2      LEU 100  -0.881  -0.426   1.368
  822    H    ASP 101           H        ASP 101  -0.317  -3.033   6.017
  823    HA   ASP 101           HA       ASP 101  -1.495  -5.449   5.326
  824   1HB   ASP 101          1HB       ASP 101   0.430  -4.804   7.567
  825   2HB   ASP 101          2HB       ASP 101  -0.034  -6.446   7.146
  826    H    ALA 102           H        ALA 102  -1.784  -3.584   8.311
  827    HA   ALA 102           HA       ALA 102  -3.312  -5.477   9.747
  828   1HB   ALA 102          1HB       ALA 102  -2.112  -3.653  10.838
  829   2HB   ALA 102          2HB       ALA 102  -3.822  -3.651  11.271
  830   3HB   ALA 102          3HB       ALA 102  -3.209  -2.487  10.097
  831    H    LEU 103           H        LEU 103  -4.184  -3.035   7.402
  832    HA   LEU 103           HA       LEU 103  -6.958  -2.963   8.044
  833   1HB   LEU 103          1HB       LEU 103  -5.428  -2.156   5.582
  834   2HB   LEU 103          2HB       LEU 103  -7.168  -1.980   5.716
  835    HG   LEU 103           HG       LEU 103  -5.133  -0.653   7.507
  836   1HD1  LEU 103          1HD1      LEU 103  -5.839   1.403   6.403
  837   2HD1  LEU 103          2HD1      LEU 103  -6.892   0.472   5.337
  838   3HD1  LEU 103          3HD1      LEU 103  -5.143   0.263   5.252
  839   1HD2  LEU 103          1HD2      LEU 103  -7.047   0.585   8.391
  840   2HD2  LEU 103          2HD2      LEU 103  -7.211  -1.148   8.683
  841   3HD2  LEU 103          3HD2      LEU 103  -8.135  -0.379   7.390
  842    H    PHE 104           H        PHE 104  -5.016  -4.851   5.781
  843    HA   PHE 104           HA       PHE 104  -7.271  -6.282   4.746
  844   1HB   PHE 104          1HB       PHE 104  -4.300  -6.808   4.670
  845   2HB   PHE 104          2HB       PHE 104  -5.472  -7.919   3.965
  846    HD1  PHE 104           HD2      PHE 104  -6.904  -7.165   2.090
  847    HD2  PHE 104           HD1      PHE 104  -3.698  -4.792   3.572
  848    HE1  PHE 104           HE2      PHE 104  -6.944  -5.825   0.026
  849    HE2  PHE 104           HE1      PHE 104  -3.736  -3.449   1.513
  850    HZ   PHE 104           HZ       PHE 104  -5.359  -3.966  -0.264
  851    H    ALA 105           H        ALA 105  -5.033  -6.658   7.387
  852    HA   ALA 105           HA       ALA 105  -5.839  -9.292   8.114
  853   1HB   ALA 105          1HB       ALA 105  -3.651  -8.391   8.720
  854   2HB   ALA 105          2HB       ALA 105  -4.551  -8.906  10.146
  855   3HB   ALA 105          3HB       ALA 105  -4.430  -7.191   9.752
  856    H    ASP 106           H        ASP 106  -7.551  -6.484   8.210
  857    HA   ASP 106           HA       ASP 106  -8.876  -6.636  10.705
  858   1HB   ASP 106          1HB       ASP 106  -9.097  -4.652   9.314
  859   2HB   ASP 106          2HB       ASP 106  -9.844  -5.596   8.029
  860    H    ASP 107           H        ASP 107  -9.587  -7.998   7.523
  861    HA   ASP 107           HA       ASP 107 -11.568  -9.769   8.759
  862   1HB   ASP 107          1HB       ASP 107 -12.343  -8.548   6.766
  863   2HB   ASP 107          2HB       ASP 107 -11.017  -9.224   5.828
  864    H    ALA 108           H        ALA 108 -10.370 -11.354   9.685
  865    HA   ALA 108           HA       ALA 108  -8.170 -12.676   8.564
  866   1HB   ALA 108          1HB       ALA 108  -8.707 -14.503  10.114
  867   2HB   ALA 108          2HB       ALA 108 -10.287 -13.781  10.418
  868   3HB   ALA 108          3HB       ALA 108  -8.821 -12.933  10.912
  869    H    SER 109           H        SER 109  -8.160 -13.575   6.615
  870    HA   SER 109           HA       SER 109 -10.451 -13.828   5.067
  871   1HB   SER 109          1HB       SER 109  -7.711 -14.992   4.567
  872   2HB   SER 109          2HB       SER 109  -8.972 -14.760   3.352
  873    HG   SER 109           HG       SER 109  -8.760 -12.453   4.510
  874    H    LEU 110           H        LEU 110 -11.855 -15.111   6.157
  875    HA   LEU 110           HA       LEU 110 -12.115 -17.723   5.137
  876   1HB   LEU 110          1HB       LEU 110 -11.365 -17.431   8.039
  877   2HB   LEU 110          2HB       LEU 110 -12.452 -18.711   7.539
  878    HG   LEU 110           HG       LEU 110  -9.616 -18.334   6.568
  879   1HD1  LEU 110          1HD1      LEU 110  -9.145 -20.358   7.838
  880   2HD1  LEU 110          2HD1      LEU 110 -10.812 -20.397   8.412
  881   3HD1  LEU 110          3HD1      LEU 110  -9.745 -19.077   8.891
  882   1HD2  LEU 110          1HD2      LEU 110 -11.039 -19.309   4.851
  883   2HD2  LEU 110          2HD2      LEU 110 -11.620 -20.515   6.000
  884   3HD2  LEU 110          3HD2      LEU 110  -9.928 -20.516   5.502
  885    H    GLU 111           H        GLU 111 -14.254 -17.808   4.756
  886    HA   GLU 111           HA       GLU 111 -15.903 -15.702   5.795
  887   1HB   GLU 111          1HB       GLU 111 -16.482 -18.011   3.949
  888   2HB   GLU 111          2HB       GLU 111 -17.690 -16.818   4.407
  889   1HG   GLU 111          1HG       GLU 111 -16.257 -15.050   3.466
  890   2HG   GLU 111          2HG       GLU 111 -15.117 -16.290   2.941
  891    H    HIS 112           H        HIS 112 -14.939 -18.255   7.377
  892    HA   HIS 112           HA       HIS 112 -17.537 -18.830   8.603
  893   1HB   HIS 112          1HB       HIS 112 -15.938 -20.701   7.880
  894   2HB   HIS 112          2HB       HIS 112 -14.927 -20.207   9.233
  895    HD1  HIS 112           HD1      HIS 112 -18.310 -21.679   8.470
  896    HD2  HIS 112           HD2      HIS 112 -15.759 -21.111  11.710
  897    HE1  HIS 112           HE1      HIS 112 -19.317 -22.989  10.368
  898    HE2  HIS 112           HE2      HIS 112 -17.851 -22.489  12.357
  899    H    HIS 113           H        HIS 113 -14.813 -16.891   8.936
  900    HA   HIS 113           HA       HIS 113 -14.825 -16.739  11.822
  901   1HB   HIS 113          1HB       HIS 113 -13.413 -15.132   9.690
  902   2HB   HIS 113          2HB       HIS 113 -13.330 -14.709  11.395
  903    HD1  HIS 113           HD1      HIS 113 -10.987 -15.797   9.397
  904    HD2  HIS 113           HD2      HIS 113 -12.870 -17.827  12.494
  905    HE1  HIS 113           HE1      HIS 113  -9.365 -17.571  10.126
  906    HE2  HIS 113           HE2      HIS 113 -10.632 -18.938  11.823
  907    H    HIS 114           H        HIS 114 -15.282 -14.153   9.398
  908    HA   HIS 114           HA       HIS 114 -17.142 -12.807  11.139
  909   1HB   HIS 114          1HB       HIS 114 -16.114 -12.234   8.366
  910   2HB   HIS 114          2HB       HIS 114 -17.448 -11.312   9.053
  911    HD1  HIS 114           HD1      HIS 114 -14.237 -10.579   8.408
  912    HD2  HIS 114           HD2      HIS 114 -16.262 -10.781  12.041
  913    HE1  HIS 114           HE1      HIS 114 -12.922  -9.144  10.003
  914    HE2  HIS 114           HE2      HIS 114 -14.054  -9.441  12.232
  915    H    HIS 115           H        HIS 115 -19.337 -12.573  10.848
  916    HA   HIS 115           HA       HIS 115 -20.545 -14.834   9.444
  917   1HB   HIS 115          1HB       HIS 115 -20.997 -14.118  11.917
  918   2HB   HIS 115          2HB       HIS 115 -22.040 -12.900  11.194
  919    HD1  HIS 115           HD1      HIS 115 -24.394 -13.638  11.228
  920    HD2  HIS 115           HD2      HIS 115 -21.782 -16.831  10.670
  921    HE1  HIS 115           HE1      HIS 115 -25.845 -15.686  11.060
  922    HE2  HIS 115           HE2      HIS 115 -24.255 -17.607  10.708
  923    H    HIS 116           H        HIS 116 -21.855 -14.611   7.688
  924    HA   HIS 116           HA       HIS 116 -21.710 -12.203   6.206
  925   1HB   HIS 116          1HB       HIS 116 -23.447 -14.648   5.799
  926   2HB   HIS 116          2HB       HIS 116 -23.319 -13.324   4.649
  927    HD1  HIS 116           HD1      HIS 116 -21.965 -16.557   5.322
  928    HD2  HIS 116           HD2      HIS 116 -20.453 -13.003   3.774
  929    HE1  HIS 116           HE1      HIS 116 -19.864 -17.188   4.099
  930    HE2  HIS 116           HE2      HIS 116 -19.097 -15.068   2.978
  931    H    HIS 117           H        HIS 117 -24.543 -13.844   7.632
  932    HA   HIS 117           HA       HIS 117 -25.609 -11.256   8.416
  933   1HB   HIS 117          1HB       HIS 117 -26.887 -13.013   6.359
  934   2HB   HIS 117          2HB       HIS 117 -27.917 -12.119   7.473
  935    HD1  HIS 117           HD1      HIS 117 -26.956 -11.778   4.210
  936    HD2  HIS 117           HD2      HIS 117 -26.604  -9.226   7.479
  937    HE1  HIS 117           HE1      HIS 117 -26.694  -9.464   3.246
  938    HE2  HIS 117           HE2      HIS 117 -26.637  -7.922   5.247
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1 -20.965  -0.674   6.469
    2   2H    MET   1          2H        MET   1 -21.122   0.925   7.001
    3   3H    MET   1          3H        MET   1 -21.714  -0.338   7.953
    4    HA   MET   1           HA       MET   1 -19.644   0.539   8.831
    5   1HB   MET   1          1HB       MET   1 -19.307  -2.231   7.655
    6   2HB   MET   1          2HB       MET   1 -18.462  -1.586   9.056
    7   1HG   MET   1          1HG       MET   1 -20.623  -1.393  10.230
    8   2HG   MET   1          2HG       MET   1 -21.413  -2.139   8.845
    9   1HE   MET   1          1HE       MET   1 -18.015  -2.883  10.747
   10   2HE   MET   1          2HE       MET   1 -18.529  -4.229  11.764
   11   3HE   MET   1          3HE       MET   1 -19.229  -2.628  11.999
   12    H    THR   2           H        THR   2 -18.851  -1.347   5.917
   13    HA   THR   2           HA       THR   2 -17.448  -1.014   4.186
   14    HB   THR   2           HB       THR   2 -17.839   1.915   4.798
   15    HG1  THR   2           HG1      THR   2 -19.713   1.739   3.731
   16   1HG2  THR   2          1HG2      THR   2 -17.366   2.222   2.400
   17   2HG2  THR   2          2HG2      THR   2 -17.034   0.497   2.249
   18   3HG2  THR   2          3HG2      THR   2 -15.990   1.511   3.245
   19    H    THR   3           H        THR   3 -15.576  -1.916   4.906
   20    HA   THR   3           HA       THR   3 -13.623  -0.338   6.363
   21    HB   THR   3           HB       THR   3 -13.282  -3.043   5.060
   22    HG1  THR   3           HG1      THR   3 -14.979  -3.163   6.530
   23   1HG2  THR   3          1HG2      THR   3 -11.793  -1.706   7.322
   24   2HG2  THR   3          2HG2      THR   3 -11.194  -1.939   5.679
   25   3HG2  THR   3          3HG2      THR   3 -11.500  -3.335   6.712
   26    H    HIS   4           H        HIS   4 -14.414  -1.155   3.119
   27    HA   HIS   4           HA       HIS   4 -11.847  -1.142   1.968
   28   1HB   HIS   4          1HB       HIS   4 -14.493  -0.579   0.630
   29   2HB   HIS   4          2HB       HIS   4 -13.007  -1.079  -0.169
   30    HD1  HIS   4           HD1      HIS   4 -16.070  -2.412   1.166
   31    HD2  HIS   4           HD2      HIS   4 -12.148  -3.768   0.821
   32    HE1  HIS   4           HE1      HIS   4 -16.180  -4.908   1.467
   33    HE2  HIS   4           HE2      HIS   4 -13.819  -5.716   1.125
   34    H    ASP   5           H        ASP   5 -14.229   1.419   2.414
   35    HA   ASP   5           HA       ASP   5 -12.993   3.389   0.835
   36   1HB   ASP   5          1HB       ASP   5 -15.296   3.583   1.681
   37   2HB   ASP   5          2HB       ASP   5 -14.683   3.726   3.325
   38    H    ARG   6           H        ARG   6 -12.540   2.399   4.165
   39    HA   ARG   6           HA       ARG   6 -10.854   4.516   4.981
   40   1HB   ARG   6          1HB       ARG   6 -10.854   1.704   6.084
   41   2HB   ARG   6          2HB       ARG   6 -10.409   3.185   6.922
   42   1HG   ARG   6          1HG       ARG   6 -12.686   3.944   6.910
   43   2HG   ARG   6          2HG       ARG   6 -13.177   2.571   5.916
   44   1HD   ARG   6          1HD       ARG   6 -12.320   1.098   7.800
   45   2HD   ARG   6          2HD       ARG   6 -12.246   2.567   8.773
   46    HE   ARG   6           HE       ARG   6 -14.793   2.267   7.551
   47   1HH1  ARG   6          1HH1      ARG   6 -12.825   1.049  10.180
   48   2HH1  ARG   6          2HH1      ARG   6 -14.191   0.589  11.155
   49   1HH2  ARG   6          1HH2      ARG   6 -16.583   1.679   8.827
   50   2HH2  ARG   6          2HH2      ARG   6 -16.334   0.968  10.397
   51    H    VAL   7           H        VAL   7 -10.211   1.272   3.720
   52    HA   VAL   7           HA       VAL   7  -7.393   1.402   3.814
   53    HB   VAL   7           HB       VAL   7  -9.088  -0.157   1.845
   54   1HG1  VAL   7          1HG1      VAL   7  -7.170  -1.688   1.769
   55   2HG1  VAL   7          2HG1      VAL   7  -6.268  -0.595   2.822
   56   3HG1  VAL   7          3HG1      VAL   7  -6.749  -0.068   1.208
   57   1HG2  VAL   7          1HG2      VAL   7  -8.940  -2.009   3.437
   58   2HG2  VAL   7          2HG2      VAL   7  -9.782  -0.625   4.131
   59   3HG2  VAL   7          3HG2      VAL   7  -8.110  -0.957   4.584
   60    H    ARG   8           H        ARG   8  -9.760   2.331   1.385
   61    HA   ARG   8           HA       ARG   8  -8.029   3.017  -0.699
   62   1HB   ARG   8          1HB       ARG   8 -10.442   2.817  -0.993
   63   2HB   ARG   8          2HB       ARG   8 -10.706   4.194   0.068
   64   1HG   ARG   8          1HG       ARG   8  -9.476   5.608  -1.562
   65   2HG   ARG   8          2HG       ARG   8  -9.415   4.218  -2.648
   66   1HD   ARG   8          1HD       ARG   8 -11.818   4.134  -2.752
   67   2HD   ARG   8          2HD       ARG   8 -11.954   5.404  -1.539
   68    HE   ARG   8           HE       ARG   8 -11.260   5.720  -4.350
   69   1HH1  ARG   8          1HH1      ARG   8 -11.508   7.172  -1.171
   70   2HH1  ARG   8          2HH1      ARG   8 -11.552   8.800  -1.767
   71   1HH2  ARG   8          1HH2      ARG   8 -11.316   7.871  -5.149
   72   2HH2  ARG   8          2HH2      ARG   8 -11.438   9.199  -4.025
   73    H    LEU   9           H        LEU   9  -9.189   4.881   2.072
   74    HA   LEU   9           HA       LEU   9  -7.999   7.338   1.356
   75   1HB   LEU   9          1HB       LEU   9  -8.701   6.243   4.078
   76   2HB   LEU   9          2HB       LEU   9  -8.235   7.904   3.765
   77    HG   LEU   9           HG       LEU   9 -10.700   6.519   2.712
   78   1HD1  LEU   9          1HD1      LEU   9 -11.896   8.113   4.133
   79   2HD1  LEU   9          2HD1      LEU   9 -10.356   8.711   4.751
   80   3HD1  LEU   9          3HD1      LEU   9 -10.852   7.049   5.075
   81   1HD2  LEU   9          1HD2      LEU   9  -9.742   9.352   2.329
   82   2HD2  LEU   9          2HD2      LEU   9 -11.315   8.723   1.830
   83   3HD2  LEU   9          3HD2      LEU   9  -9.838   8.105   1.085
   84    H    GLN  10           H        GLN  10  -6.826   4.562   3.196
   85    HA   GLN  10           HA       GLN  10  -4.405   5.711   4.063
   86   1HB   GLN  10          1HB       GLN  10  -5.420   3.561   4.910
   87   2HB   GLN  10          2HB       GLN  10  -4.867   2.791   3.429
   88   1HG   GLN  10          1HG       GLN  10  -2.992   4.206   5.300
   89   2HG   GLN  10          2HG       GLN  10  -3.426   2.512   5.500
   90   1HE2  GLN  10          1HE2      GLN  10  -0.857   3.879   4.855
   91   2HE2  GLN  10          2HE2      GLN  10  -0.300   3.098   3.415
   92    H    LEU  11           H        LEU  11  -5.259   3.885   1.155
   93    HA   LEU  11           HA       LEU  11  -2.744   3.730  -0.020
   94   1HB   LEU  11          1HB       LEU  11  -5.433   4.082  -1.343
   95   2HB   LEU  11          2HB       LEU  11  -3.966   3.609  -2.177
   96    HG   LEU  11           HG       LEU  11  -5.291   2.016   0.018
   97   1HD1  LEU  11          1HD1      LEU  11  -6.655   2.059  -1.994
   98   2HD1  LEU  11          2HD1      LEU  11  -5.923   0.470  -1.769
   99   3HD1  LEU  11          3HD1      LEU  11  -5.263   1.584  -2.966
  100   1HD2  LEU  11          1HD2      LEU  11  -3.744   0.247  -0.652
  101   2HD2  LEU  11          2HD2      LEU  11  -2.880   1.674  -0.081
  102   3HD2  LEU  11          3HD2      LEU  11  -2.990   1.342  -1.809
  103    H    GLN  12           H        GLN  12  -5.104   6.343  -0.050
  104    HA   GLN  12           HA       GLN  12  -3.645   8.015  -1.841
  105   1HB   GLN  12          1HB       GLN  12  -5.837   8.644   0.141
  106   2HB   GLN  12          2HB       GLN  12  -5.195   9.798  -1.021
  107   1HG   GLN  12          1HG       GLN  12  -5.929   8.373  -2.855
  108   2HG   GLN  12          2HG       GLN  12  -6.553   7.199  -1.699
  109   1HE2  GLN  12          1HE2      GLN  12  -7.895   8.763  -3.807
  110   2HE2  GLN  12          2HE2      GLN  12  -9.177   9.611  -3.004
  111    H    ALA  13           H        ALA  13  -3.661   7.528   1.618
  112    HA   ALA  13           HA       ALA  13  -2.092   9.836   2.253
  113   1HB   ALA  13          1HB       ALA  13  -2.547   7.317   3.857
  114   2HB   ALA  13          2HB       ALA  13  -3.544   8.771   3.915
  115   3HB   ALA  13          3HB       ALA  13  -1.870   8.829   4.465
  116    H    LEU  14           H        LEU  14  -1.425   6.425   1.645
  117    HA   LEU  14           HA       LEU  14   1.349   6.483   2.104
  118   1HB   LEU  14          1HB       LEU  14   0.061   4.412   1.881
  119   2HB   LEU  14          2HB       LEU  14  -0.266   4.782   0.200
  120    HG   LEU  14           HG       LEU  14   2.141   4.567  -0.307
  121   1HD1  LEU  14          1HD1      LEU  14   2.366   3.723   2.580
  122   2HD1  LEU  14          2HD1      LEU  14   3.055   5.179   1.860
  123   3HD1  LEU  14          3HD1      LEU  14   3.639   3.589   1.367
  124   1HD2  LEU  14          1HD2      LEU  14   0.952   2.185   1.109
  125   2HD2  LEU  14          2HD2      LEU  14   2.264   2.145  -0.069
  126   3HD2  LEU  14          3HD2      LEU  14   0.650   2.651  -0.564
  127    H    GLU  15           H        GLU  15  -0.586   7.085  -0.792
  128    HA   GLU  15           HA       GLU  15   1.409   7.642  -2.635
  129   1HB   GLU  15          1HB       GLU  15  -0.933   7.555  -3.272
  130   2HB   GLU  15          2HB       GLU  15  -1.298   8.948  -2.264
  131   1HG   GLU  15          1HG       GLU  15   0.230  10.290  -3.722
  132   2HG   GLU  15          2HG       GLU  15   0.324   8.892  -4.792
  133    H    ALA  16           H        ALA  16  -0.138   9.802  -0.292
  134    HA   ALA  16           HA       ALA  16   1.289  12.124  -0.953
  135   1HB   ALA  16          1HB       ALA  16  -0.772  12.180   0.339
  136   2HB   ALA  16          2HB       ALA  16   0.536  12.991   1.203
  137   3HB   ALA  16          3HB       ALA  16   0.034  11.368   1.681
  138    H    LEU  17           H        LEU  17   1.915   9.603   1.459
  139    HA   LEU  17           HA       LEU  17   4.124  10.770   2.711
  140   1HB   LEU  17          1HB       LEU  17   2.839   8.755   3.473
  141   2HB   LEU  17          2HB       LEU  17   3.654   7.819   2.239
  142    HG   LEU  17           HG       LEU  17   5.222   9.257   4.370
  143   1HD1  LEU  17          1HD1      LEU  17   4.032   6.487   4.543
  144   2HD1  LEU  17          2HD1      LEU  17   3.568   7.881   5.519
  145   3HD1  LEU  17          3HD1      LEU  17   5.182   7.190   5.681
  146   1HD2  LEU  17          1HD2      LEU  17   6.445   8.368   2.432
  147   2HD2  LEU  17          2HD2      LEU  17   5.774   6.768   2.746
  148   3HD2  LEU  17          3HD2      LEU  17   6.863   7.513   3.914
  149    H    LEU  18           H        LEU  18   3.950   8.661  -0.121
  150    HA   LEU  18           HA       LEU  18   6.759   8.507  -0.513
  151   1HB   LEU  18          1HB       LEU  18   4.497   8.066  -2.466
  152   2HB   LEU  18          2HB       LEU  18   6.170   7.611  -2.735
  153    HG   LEU  18           HG       LEU  18   4.411   6.497  -0.546
  154   1HD1  LEU  18          1HD1      LEU  18   3.650   5.769  -2.733
  155   2HD1  LEU  18          2HD1      LEU  18   4.429   4.437  -1.872
  156   3HD1  LEU  18          3HD1      LEU  18   5.291   5.282  -3.159
  157   1HD2  LEU  18          1HD2      LEU  18   6.774   6.520   0.045
  158   2HD2  LEU  18          2HD2      LEU  18   7.171   5.712  -1.472
  159   3HD2  LEU  18          3HD2      LEU  18   6.214   4.874  -0.251
  160    H    ARG  19           H        ARG  19   4.246  10.677  -1.626
  161    HA   ARG  19           HA       ARG  19   5.827  12.098  -3.506
  162   1HB   ARG  19          1HB       ARG  19   3.370  12.176  -3.514
  163   2HB   ARG  19          2HB       ARG  19   3.385  12.992  -1.957
  164   1HG   ARG  19          1HG       ARG  19   4.594  14.879  -2.997
  165   2HG   ARG  19          2HG       ARG  19   4.457  14.068  -4.558
  166   1HD   ARG  19          1HD       ARG  19   2.028  14.143  -4.395
  167   2HD   ARG  19          2HD       ARG  19   2.146  14.912  -2.813
  168    HE   ARG  19           HE       ARG  19   3.422  16.282  -5.052
  169   1HH1  ARG  19          1HH1      ARG  19   0.719  16.031  -2.846
  170   2HH1  ARG  19          2HH1      ARG  19   0.131  17.632  -3.175
  171   1HH2  ARG  19          1HH2      ARG  19   2.633  18.391  -5.516
  172   2HH2  ARG  19          2HH2      ARG  19   1.203  18.960  -4.709
  173    H    GLU  20           H        GLU  20   5.121  12.546  -0.065
  174    HA   GLU  20           HA       GLU  20   6.217  15.006   0.453
  175   1HB   GLU  20          1HB       GLU  20   6.381  12.484   2.107
  176   2HB   GLU  20          2HB       GLU  20   6.882  14.059   2.701
  177   1HG   GLU  20          1HG       GLU  20   4.615  14.896   2.430
  178   2HG   GLU  20          2HG       GLU  20   4.107  13.327   1.798
  179    H    HIS  21           H        HIS  21   7.954  11.912   0.370
  180    HA   HIS  21           HA       HIS  21  10.477  13.334   0.712
  181   1HB   HIS  21          1HB       HIS  21   9.874  10.368   0.689
  182   2HB   HIS  21          2HB       HIS  21  11.457  11.076   1.003
  183    HD1  HIS  21           HD1      HIS  21  11.821  12.215   3.299
  184    HD2  HIS  21           HD2      HIS  21   8.020  10.606   2.791
  185    HE1  HIS  21           HE1      HIS  21  10.772  12.219   5.582
  186    HE2  HIS  21           HE2      HIS  21   8.389  11.492   5.190
  187    H    GLN  22           H        GLN  22   8.649  12.973  -1.783
  188    HA   GLN  22           HA       GLN  22   8.938  13.048  -4.026
  189   1HB   GLN  22          1HB       GLN  22  11.785  13.680  -3.231
  190   2HB   GLN  22          2HB       GLN  22  11.105  13.928  -4.833
  191   1HG   GLN  22          1HG       GLN  22  10.214  15.282  -2.296
  192   2HG   GLN  22          2HG       GLN  22  11.176  16.005  -3.585
  193   1HE2  GLN  22          1HE2      GLN  22   8.549  16.749  -2.492
  194   2HE2  GLN  22          2HE2      GLN  22   7.475  16.769  -3.844
  195    H    HIS  23           H        HIS  23   9.026  10.463  -2.966
  196    HA   HIS  23           HA       HIS  23  11.028   9.166  -4.694
  197   1HB   HIS  23          1HB       HIS  23   9.643   8.252  -2.193
  198   2HB   HIS  23          2HB       HIS  23  10.283   7.073  -3.331
  199    HD1  HIS  23           HD1      HIS  23  12.936   7.272  -3.803
  200    HD2  HIS  23           HD2      HIS  23  11.488   9.266  -0.447
  201    HE1  HIS  23           HE1      HIS  23  14.947   7.733  -2.363
  202    HE2  HIS  23           HE2      HIS  23  14.070   9.088  -0.429
  203    H    TRP  24           H        TRP  24   7.986  10.188  -4.875
  204    HA   TRP  24           HA       TRP  24   6.709   7.836  -5.949
  205   1HB   TRP  24          1HB       TRP  24   5.416   9.583  -4.754
  206   2HB   TRP  24          2HB       TRP  24   5.827  10.734  -6.019
  207    HD1  TRP  24           HD1      TRP  24   4.605  10.436  -8.397
  208    HE1  TRP  24           HE1      TRP  24   2.433   9.228  -9.058
  209    HE3  TRP  24           HE3      TRP  24   3.962   7.568  -4.210
  210    HZ2  TRP  24           HZ2      TRP  24   0.679   7.317  -7.953
  211    HZ3  TRP  24           HZ3      TRP  24   2.007   6.077  -4.095
  212    HH2  TRP  24           HH2      TRP  24   0.400   5.956  -5.929
  213    H    ARG  25           H        ARG  25   6.980   7.119  -7.953
  214    HA   ARG  25           HA       ARG  25   8.360   8.804  -9.885
  215   1HB   ARG  25          1HB       ARG  25   7.632   5.875  -9.902
  216   2HB   ARG  25          2HB       ARG  25   8.419   6.687 -11.248
  217   1HG   ARG  25          1HG       ARG  25  10.298   7.269  -9.773
  218   2HG   ARG  25          2HG       ARG  25   9.515   6.385  -8.461
  219   1HD   ARG  25          1HD       ARG  25   9.676   4.321  -9.677
  220   2HD   ARG  25          2HD       ARG  25  10.270   5.161 -11.109
  221    HE   ARG  25           HE       ARG  25  11.951   5.604  -8.851
  222   1HH1  ARG  25          1HH1      ARG  25  11.150   3.234 -11.310
  223   2HH1  ARG  25          2HH1      ARG  25  12.753   2.540 -11.333
  224   1HH2  ARG  25          1HH2      ARG  25  14.031   4.683  -8.862
  225   2HH2  ARG  25          2HH2      ARG  25  14.384   3.346  -9.916
  226    H    ASN  26           H        ASN  26   7.381   9.869 -11.431
  227    HA   ASN  26           HA       ASN  26   4.601   9.186 -12.102
  228   1HB   ASN  26          1HB       ASN  26   6.184  11.729 -12.266
  229   2HB   ASN  26          2HB       ASN  26   4.770  11.510 -13.287
  230   1HD2  ASN  26          1HD2      ASN  26   3.301   9.949 -11.332
  231   2HD2  ASN  26          2HD2      ASN  26   2.785  11.076 -10.113
  232    H    ASP  27           H        ASP  27   7.414   8.225 -13.122
  233    HA   ASP  27           HA       ASP  27   7.389   8.860 -15.908
  234   1HB   ASP  27          1HB       ASP  27   8.917   6.874 -14.242
  235   2HB   ASP  27          2HB       ASP  27   9.059   6.906 -15.996
  236    H    GLU  28           H        GLU  28   7.336   7.073 -17.568
  237    HA   GLU  28           HA       GLU  28   4.828   5.633 -17.158
  238   1HB   GLU  28          1HB       GLU  28   6.368   6.340 -19.658
  239   2HB   GLU  28          2HB       GLU  28   4.900   5.372 -19.655
  240   1HG   GLU  28          1HG       GLU  28   5.056   8.167 -18.563
  241   2HG   GLU  28          2HG       GLU  28   4.585   7.780 -20.218
  242    HA   PRO  29           HA       PRO  29   7.192   1.795 -16.931
  243   1HB   PRO  29          1HB       PRO  29   4.497   0.649 -16.653
  244   2HB   PRO  29          2HB       PRO  29   5.875   0.547 -15.554
  245   1HG   PRO  29          1HG       PRO  29   3.716   2.020 -14.958
  246   2HG   PRO  29          2HG       PRO  29   5.351   2.537 -14.500
  247   1HD   PRO  29          1HD       PRO  29   3.654   3.445 -16.803
  248   2HD   PRO  29          2HD       PRO  29   4.641   4.412 -15.686
  249    H    GLN  30           H        GLN  30   7.508   0.165 -18.386
  250    HA   GLN  30           HA       GLN  30   6.135   0.513 -20.957
  251   1HB   GLN  30          1HB       GLN  30   8.661   0.711 -20.694
  252   2HB   GLN  30          2HB       GLN  30   8.675  -1.020 -20.401
  253   1HG   GLN  30          1HG       GLN  30   7.776  -1.427 -22.610
  254   2HG   GLN  30          2HG       GLN  30   7.667   0.309 -22.904
  255   1HE2  GLN  30          1HE2      GLN  30  10.183   0.829 -21.514
  256   2HE2  GLN  30          2HE2      GLN  30  11.442   0.319 -22.585
  257    HA   PRO  31           HA       PRO  31   3.498  -2.960 -20.720
  258   1HB   PRO  31          1HB       PRO  31   4.858  -3.705 -23.284
  259   2HB   PRO  31          2HB       PRO  31   3.137  -3.739 -22.877
  260   1HG   PRO  31          1HG       PRO  31   4.159  -1.722 -24.275
  261   2HG   PRO  31          2HG       PRO  31   2.916  -1.440 -23.042
  262   1HD   PRO  31          1HD       PRO  31   5.799  -0.789 -22.993
  263   2HD   PRO  31          2HD       PRO  31   4.458  -0.046 -22.102
  264    H    HIS  32           H        HIS  32   6.849  -3.806 -21.691
  265    HA   HIS  32           HA       HIS  32   6.531  -6.564 -21.159
  266   1HB   HIS  32          1HB       HIS  32   8.878  -6.796 -21.470
  267   2HB   HIS  32          2HB       HIS  32   8.337  -5.556 -22.590
  268    HD1  HIS  32           HD1      HIS  32   9.445  -3.301 -22.431
  269    HD2  HIS  32           HD2      HIS  32  10.383  -5.789 -19.234
  270    HE1  HIS  32           HE1      HIS  32  11.260  -2.111 -21.149
  271    HE2  HIS  32           HE2      HIS  32  11.724  -3.583 -19.151
  272    H    GLN  33           H        GLN  33   6.763  -3.974 -19.005
  273    HA   GLN  33           HA       GLN  33   8.138  -5.398 -16.908
  274   1HB   GLN  33          1HB       GLN  33   6.693  -2.752 -16.985
  275   2HB   GLN  33          2HB       GLN  33   7.400  -3.406 -15.513
  276   1HG   GLN  33          1HG       GLN  33   9.599  -3.391 -16.514
  277   2HG   GLN  33          2HG       GLN  33   8.925  -2.857 -18.051
  278   1HE2  GLN  33          1HE2      GLN  33   9.695  -1.930 -14.787
  279   2HE2  GLN  33          2HE2      GLN  33   9.575  -0.224 -15.030
  280    H    PHE  34           H        PHE  34   5.122  -5.713 -18.178
  281    HA   PHE  34           HA       PHE  34   3.932  -6.467 -15.605
  282   1HB   PHE  34          1HB       PHE  34   2.683  -6.257 -18.353
  283   2HB   PHE  34          2HB       PHE  34   1.824  -6.723 -16.890
  284    HD1  PHE  34           HD2      PHE  34   1.516  -5.079 -15.068
  285    HD2  PHE  34           HD1      PHE  34   3.131  -3.991 -18.851
  286    HE1  PHE  34           HE2      PHE  34   1.040  -2.715 -14.586
  287    HE2  PHE  34           HE1      PHE  34   2.658  -1.624 -18.378
  288    HZ   PHE  34           HZ       PHE  34   1.609  -0.983 -16.244
  289    H    ASN  35           H        ASN  35   5.849  -7.792 -17.873
  290    HA   ASN  35           HA       ASN  35   4.625 -10.365 -18.232
  291   1HB   ASN  35          1HB       ASN  35   6.233  -9.449 -19.865
  292   2HB   ASN  35          2HB       ASN  35   7.500  -9.496 -18.645
  293   1HD2  ASN  35          1HD2      ASN  35   8.790 -10.886 -19.822
  294   2HD2  ASN  35          2HD2      ASN  35   8.394 -12.555 -20.061
  295    H    SER  36           H        SER  36   6.819  -8.933 -15.933
  296    HA   SER  36           HA       SER  36   7.687 -11.298 -14.676
  297   1HB   SER  36          1HB       SER  36   7.997  -9.704 -12.678
  298   2HB   SER  36          2HB       SER  36   8.878  -9.325 -14.158
  299    HG   SER  36           HG       SER  36   6.343  -8.216 -13.563
  300    H    THR  37           H        THR  37   6.393 -12.782 -13.815
  301    HA   THR  37           HA       THR  37   3.647 -12.044 -13.255
  302    HB   THR  37           HB       THR  37   4.168 -13.969 -14.721
  303    HG1  THR  37           HG1      THR  37   2.175 -13.888 -13.544
  304   1HG2  THR  37          1HG2      THR  37   4.934 -16.078 -13.716
  305   2HG2  THR  37          2HG2      THR  37   5.179 -15.249 -12.177
  306   3HG2  THR  37          3HG2      THR  37   6.152 -14.811 -13.581
  307    H    GLN  38           H        GLN  38   6.482 -12.490 -11.463
  308    HA   GLN  38           HA       GLN  38   5.412 -13.530  -9.071
  309   1HB   GLN  38          1HB       GLN  38   7.745 -11.664  -9.542
  310   2HB   GLN  38          2HB       GLN  38   7.345 -12.340  -7.968
  311   1HG   GLN  38          1HG       GLN  38   8.151 -13.858 -10.438
  312   2HG   GLN  38          2HG       GLN  38   9.096 -13.641  -8.964
  313   1HE2  GLN  38          1HE2      GLN  38   8.543 -14.805  -7.115
  314   2HE2  GLN  38          2HE2      GLN  38   7.476 -16.173  -7.173
  315    HA   PRO  39           HA       PRO  39   2.520 -10.686  -7.670
  316   1HB   PRO  39          1HB       PRO  39   3.211 -10.475  -4.980
  317   2HB   PRO  39          2HB       PRO  39   2.187 -11.724  -5.692
  318   1HG   PRO  39          1HG       PRO  39   5.092 -11.811  -5.017
  319   2HG   PRO  39          2HG       PRO  39   3.860 -13.077  -4.849
  320   1HD   PRO  39          1HD       PRO  39   5.623 -13.148  -6.849
  321   2HD   PRO  39          2HD       PRO  39   3.929 -13.618  -7.111
  322    H    PHE  40           H        PHE  40   5.837  -9.928  -6.795
  323    HA   PHE  40           HA       PHE  40   5.107  -7.133  -6.328
  324   1HB   PHE  40          1HB       PHE  40   7.731  -8.569  -5.879
  325   2HB   PHE  40          2HB       PHE  40   7.416  -6.884  -5.480
  326    HD1  PHE  40           HD2      PHE  40   6.746 -10.366  -4.586
  327    HD2  PHE  40           HD1      PHE  40   6.101  -6.286  -3.560
  328    HE1  PHE  40           HE2      PHE  40   5.945 -11.056  -2.369
  329    HE2  PHE  40           HE1      PHE  40   5.305  -6.970  -1.335
  330    HZ   PHE  40           HZ       PHE  40   5.231  -9.359  -0.741
  331    H    PHE  41           H        PHE  41   5.770  -8.899  -8.952
  332    HA   PHE  41           HA       PHE  41   6.749  -8.589 -10.992
  333   1HB   PHE  41          1HB       PHE  41   6.142  -5.728 -10.221
  334   2HB   PHE  41          2HB       PHE  41   6.672  -6.206 -11.829
  335    HD1  PHE  41           HD2      PHE  41   3.959  -6.612  -9.342
  336    HD2  PHE  41           HD1      PHE  41   5.154  -7.085 -13.398
  337    HE1  PHE  41           HE2      PHE  41   1.625  -7.065  -9.972
  338    HE2  PHE  41           HE1      PHE  41   2.822  -7.534 -14.035
  339    HZ   PHE  41           HZ       PHE  41   1.055  -7.527 -12.322
  340    H    MET  42           H        MET  42   8.548  -8.931  -8.895
  341    HA   MET  42           HA       MET  42  10.454  -6.851  -8.631
  342   1HB   MET  42          1HB       MET  42  11.688  -8.448  -7.257
  343   2HB   MET  42          2HB       MET  42   9.979  -8.461  -6.849
  344   1HG   MET  42          1HG       MET  42   9.717 -10.476  -8.283
  345   2HG   MET  42          2HG       MET  42  11.466 -10.492  -8.492
  346   1HE   MET  42          1HE       MET  42   9.335 -11.147  -4.440
  347   2HE   MET  42          2HE       MET  42   8.477 -11.011  -5.977
  348   3HE   MET  42          3HE       MET  42   9.314  -9.611  -5.305
  349    H    ASP  43           H        ASP  43  10.002  -8.795 -11.224
  350    HA   ASP  43           HA       ASP  43  12.831  -9.212 -11.801
  351   1HB   ASP  43          1HB       ASP  43  10.321 -10.033 -13.256
  352   2HB   ASP  43          2HB       ASP  43  11.932 -10.283 -13.913
  353    H    THR  44           H        THR  44  10.438  -6.874 -12.321
  354    HA   THR  44           HA       THR  44  12.071  -5.659 -14.444
  355    HB   THR  44           HB       THR  44   9.999  -4.876 -15.566
  356    HG1  THR  44           HG1      THR  44   8.408  -6.809 -14.389
  357   1HG2  THR  44          1HG2      THR  44   9.415  -7.000 -16.634
  358   2HG2  THR  44          2HG2      THR  44  10.203  -7.883 -15.326
  359   3HG2  THR  44          3HG2      THR  44  11.159  -6.870 -16.407
  360    H    MET  45           H        MET  45   9.463  -5.167 -12.094
  361    HA   MET  45           HA       MET  45   9.853  -2.295 -12.114
  362   1HB   MET  45          1HB       MET  45   8.064  -3.988 -10.355
  363   2HB   MET  45          2HB       MET  45   7.988  -2.242 -10.548
  364   1HG   MET  45          1HG       MET  45   7.506  -4.211 -12.771
  365   2HG   MET  45          2HG       MET  45   6.235  -3.504 -11.779
  366   1HE   MET  45          1HE       MET  45   6.403   0.268 -12.735
  367   2HE   MET  45          2HE       MET  45   7.195  -0.523 -11.371
  368   3HE   MET  45          3HE       MET  45   5.548  -0.973 -11.817
  369    H    GLU  46           H        GLU  46  10.386  -1.077 -10.229
  370    HA   GLU  46           HA       GLU  46  12.232  -2.382  -8.411
  371   1HB   GLU  46          1HB       GLU  46  11.210   0.460  -8.611
  372   2HB   GLU  46          2HB       GLU  46  12.353  -0.072  -7.385
  373   1HG   GLU  46          1HG       GLU  46  12.885  -0.387 -10.321
  374   2HG   GLU  46          2HG       GLU  46  13.295   1.080  -9.434
  375    HA   PRO  47           HA       PRO  47   9.416  -3.632  -5.239
  376   1HB   PRO  47          1HB       PRO  47  11.301  -2.203  -3.411
  377   2HB   PRO  47          2HB       PRO  47  10.626  -3.831  -3.279
  378   1HG   PRO  47          1HG       PRO  47  13.127  -3.470  -4.102
  379   2HG   PRO  47          2HG       PRO  47  12.099  -4.712  -4.840
  380   1HD   PRO  47          1HD       PRO  47  12.956  -2.074  -5.917
  381   2HD   PRO  47          2HD       PRO  47  12.617  -3.590  -6.775
  382    H    LEU  48           H        LEU  48  10.786  -0.421  -4.422
  383    HA   LEU  48           HA       LEU  48   8.426   0.462  -3.115
  384   1HB   LEU  48          1HB       LEU  48  10.692   1.356  -2.673
  385   2HB   LEU  48          2HB       LEU  48  10.687   2.105  -4.257
  386    HG   LEU  48           HG       LEU  48   8.746   3.491  -3.555
  387   1HD1  LEU  48          1HD1      LEU  48   8.187   3.621  -1.182
  388   2HD1  LEU  48          2HD1      LEU  48   9.291   2.288  -0.845
  389   3HD1  LEU  48          3HD1      LEU  48   7.854   2.016  -1.830
  390   1HD2  LEU  48          1HD2      LEU  48  11.003   4.380  -3.426
  391   2HD2  LEU  48          2HD2      LEU  48  11.203   3.687  -1.817
  392   3HD2  LEU  48          3HD2      LEU  48  10.026   4.974  -2.084
  393    H    GLU  49           H        GLU  49   9.512   0.555  -6.394
  394    HA   GLU  49           HA       GLU  49   7.734   2.557  -7.359
  395   1HB   GLU  49          1HB       GLU  49   9.765   2.020  -8.548
  396   2HB   GLU  49          2HB       GLU  49   9.280   0.342  -8.714
  397   1HG   GLU  49          1HG       GLU  49   7.460   1.023 -10.193
  398   2HG   GLU  49          2HG       GLU  49   7.972   2.705 -10.037
  399    H    TRP  50           H        TRP  50   7.664  -0.968  -7.209
  400    HA   TRP  50           HA       TRP  50   5.249  -1.479  -8.501
  401   1HB   TRP  50          1HB       TRP  50   6.715  -3.287  -7.913
  402   2HB   TRP  50          2HB       TRP  50   6.631  -2.877  -6.206
  403    HD1  TRP  50           HD1      TRP  50   4.523  -4.477  -8.994
  404    HE1  TRP  50           HE1      TRP  50   2.715  -5.944  -7.897
  405    HE3  TRP  50           HE3      TRP  50   5.317  -3.228  -4.099
  406    HZ2  TRP  50           HZ2      TRP  50   1.749  -6.494  -5.305
  407    HZ3  TRP  50           HZ3      TRP  50   3.909  -4.271  -2.372
  408    HH2  TRP  50           HH2      TRP  50   2.162  -5.870  -2.966
  409    H    LEU  51           H        LEU  51   5.927  -0.634  -5.155
  410    HA   LEU  51           HA       LEU  51   3.440  -0.872  -3.987
  411   1HB   LEU  51          1HB       LEU  51   5.531  -0.316  -2.808
  412   2HB   LEU  51          2HB       LEU  51   5.515   1.277  -3.536
  413    HG   LEU  51           HG       LEU  51   3.368   1.729  -2.327
  414   1HD1  LEU  51          1HD1      LEU  51   2.657  -0.568  -1.974
  415   2HD1  LEU  51          2HD1      LEU  51   2.798   0.286  -0.437
  416   3HD1  LEU  51          3HD1      LEU  51   4.051  -0.852  -0.932
  417   1HD2  LEU  51          1HD2      LEU  51   5.488   2.561  -1.485
  418   2HD2  LEU  51          2HD2      LEU  51   5.777   1.035  -0.651
  419   3HD2  LEU  51          3HD2      LEU  51   4.444   2.074  -0.149
  420    H    GLN  52           H        GLN  52   4.712   1.705  -5.995
  421    HA   GLN  52           HA       GLN  52   2.499   3.480  -5.449
  422   1HB   GLN  52          1HB       GLN  52   4.610   3.866  -7.558
  423   2HB   GLN  52          2HB       GLN  52   3.704   5.094  -6.682
  424   1HG   GLN  52          1HG       GLN  52   4.879   4.530  -4.637
  425   2HG   GLN  52          2HG       GLN  52   5.762   3.259  -5.480
  426   1HE2  GLN  52          1HE2      GLN  52   6.822   5.495  -4.065
  427   2HE2  GLN  52          2HE2      GLN  52   7.758   6.413  -5.195
  428    H    TRP  53           H        TRP  53   3.802   1.823  -8.324
  429    HA   TRP  53           HA       TRP  53   1.689   2.855  -9.969
  430   1HB   TRP  53          1HB       TRP  53   3.881   2.585 -10.941
  431   2HB   TRP  53          2HB       TRP  53   3.885   0.866 -10.555
  432    HD1  TRP  53           HD1      TRP  53   3.154  -0.683 -12.462
  433    HE1  TRP  53           HE1      TRP  53   1.856  -0.406 -14.667
  434    HE3  TRP  53           HE3      TRP  53   1.825   4.239 -12.017
  435    HZ2  TRP  53           HZ2      TRP  53   0.455   1.622 -16.034
  436    HZ3  TRP  53           HZ3      TRP  53   0.504   5.268 -13.820
  437    HH2  TRP  53           HH2      TRP  53  -0.164   3.987 -15.785
  438    H    VAL  54           H        VAL  54   2.353  -0.264  -8.433
  439    HA   VAL  54           HA       VAL  54   0.074  -1.372  -9.912
  440    HB   VAL  54           HB       VAL  54   2.133  -2.885  -8.309
  441   1HG1  VAL  54          1HG1      VAL  54  -0.018  -4.030  -8.449
  442   2HG1  VAL  54          2HG1      VAL  54   1.201  -4.860  -9.416
  443   3HG1  VAL  54          3HG1      VAL  54  -0.010  -3.848 -10.203
  444   1HG2  VAL  54          1HG2      VAL  54   1.888  -2.503 -11.293
  445   2HG2  VAL  54          2HG2      VAL  54   3.024  -3.587 -10.490
  446   3HG2  VAL  54          3HG2      VAL  54   3.154  -1.843 -10.257
  447    H    LEU  55           H        LEU  55   1.405  -1.506  -6.589
  448    HA   LEU  55           HA       LEU  55  -0.720  -2.989  -5.563
  449   1HB   LEU  55          1HB       LEU  55   1.465  -2.720  -4.446
  450   2HB   LEU  55          2HB       LEU  55   1.030  -1.069  -4.034
  451    HG   LEU  55           HG       LEU  55  -0.861  -1.917  -2.687
  452   1HD1  LEU  55          1HD1      LEU  55  -1.286  -3.984  -3.885
  453   2HD1  LEU  55          2HD1      LEU  55  -0.985  -4.315  -2.179
  454   3HD1  LEU  55          3HD1      LEU  55   0.274  -4.622  -3.372
  455   1HD2  LEU  55          1HD2      LEU  55   1.807  -3.125  -1.970
  456   2HD2  LEU  55          2HD2      LEU  55   0.466  -2.844  -0.859
  457   3HD2  LEU  55          3HD2      LEU  55   1.286  -1.478  -1.615
  458    H    ILE  56           H        ILE  56  -0.171   0.520  -5.105
  459    HA   ILE  56           HA       ILE  56  -2.503   0.976  -3.675
  460    HB   ILE  56           HB       ILE  56  -0.997   2.925  -5.421
  461   1HG1  ILE  56          1HG1      ILE  56  -0.954   2.463  -2.436
  462   2HG1  ILE  56          2HG1      ILE  56   0.285   1.922  -3.563
  463   1HG2  ILE  56          1HG2      ILE  56  -3.113   3.452  -3.343
  464   2HG2  ILE  56          2HG2      ILE  56  -3.250   3.739  -5.079
  465   3HG2  ILE  56          3HG2      ILE  56  -2.111   4.681  -4.117
  466   1HD1  ILE  56          1HD1      ILE  56  -0.456   4.780  -2.979
  467   2HD1  ILE  56          2HD1      ILE  56   0.767   4.252  -4.135
  468   3HD1  ILE  56          3HD1      ILE  56   0.983   3.932  -2.413
  469    HA   PRO  57           HA       PRO  57  -4.827   2.358  -7.679
  470   1HB   PRO  57          1HB       PRO  57  -3.341   1.065  -9.876
  471   2HB   PRO  57          2HB       PRO  57  -3.968   2.713  -9.759
  472   1HG   PRO  57          1HG       PRO  57  -1.351   2.234  -9.606
  473   2HG   PRO  57          2HG       PRO  57  -2.112   3.475  -8.590
  474   1HD   PRO  57          1HD       PRO  57  -1.326   0.664  -7.876
  475   2HD   PRO  57          2HD       PRO  57  -1.047   2.167  -6.978
  476    H    ARG  58           H        ARG  58  -3.239  -0.819  -7.800
  477    HA   ARG  58           HA       ARG  58  -5.429  -2.143  -9.047
  478   1HB   ARG  58          1HB       ARG  58  -2.955  -2.915  -8.803
  479   2HB   ARG  58          2HB       ARG  58  -3.489  -3.562  -7.257
  480   1HG   ARG  58          1HG       ARG  58  -5.261  -4.818  -8.489
  481   2HG   ARG  58          2HG       ARG  58  -4.505  -4.283  -9.991
  482   1HD   ARG  58          1HD       ARG  58  -3.542  -6.352  -9.680
  483   2HD   ARG  58          2HD       ARG  58  -2.349  -5.272  -8.959
  484    HE   ARG  58           HE       ARG  58  -4.334  -6.388  -7.152
  485   1HH1  ARG  58          1HH1      ARG  58  -1.095  -6.582  -8.463
  486   2HH1  ARG  58          2HH1      ARG  58  -0.496  -7.607  -7.192
  487   1HH2  ARG  58          1HH2      ARG  58  -3.571  -7.754  -5.492
  488   2HH2  ARG  58          2HH2      ARG  58  -1.908  -8.272  -5.503
  489    H    MET  59           H        MET  59  -4.436  -1.622  -5.708
  490    HA   MET  59           HA       MET  59  -6.443  -3.226  -4.526
  491   1HB   MET  59          1HB       MET  59  -4.769  -0.962  -3.464
  492   2HB   MET  59          2HB       MET  59  -5.986  -1.759  -2.475
  493   1HG   MET  59          1HG       MET  59  -3.587  -3.045  -3.752
  494   2HG   MET  59          2HG       MET  59  -3.817  -2.706  -2.038
  495   1HE   MET  59          1HE       MET  59  -2.969  -5.575  -3.120
  496   2HE   MET  59          2HE       MET  59  -4.018  -6.622  -2.164
  497   3HE   MET  59          3HE       MET  59  -3.238  -5.231  -1.412
  498    H    HIS  60           H        HIS  60  -6.466   0.038  -5.775
  499    HA   HIS  60           HA       HIS  60  -8.838   0.963  -4.604
  500   1HB   HIS  60          1HB       HIS  60  -7.488   1.540  -7.217
  501   2HB   HIS  60          2HB       HIS  60  -9.116   2.144  -6.942
  502    HD1  HIS  60           HD1      HIS  60  -9.305   4.304  -5.714
  503    HD2  HIS  60           HD2      HIS  60  -5.573   2.536  -5.249
  504    HE1  HIS  60           HE1      HIS  60  -7.888   6.009  -4.524
  505    HE2  HIS  60           HE2      HIS  60  -5.576   5.015  -4.537
  506    H    ASP  61           H        ASP  61  -8.289  -1.033  -7.459
  507    HA   ASP  61           HA       ASP  61 -10.972  -1.334  -8.254
  508   1HB   ASP  61          1HB       ASP  61  -9.213  -1.916  -9.782
  509   2HB   ASP  61          2HB       ASP  61  -8.540  -3.087  -8.653
  510    H    LEU  62           H        LEU  62  -8.902  -3.323  -6.177
  511    HA   LEU  62           HA       LEU  62 -10.703  -5.387  -5.634
  512   1HB   LEU  62          1HB       LEU  62  -8.274  -5.371  -5.079
  513   2HB   LEU  62          2HB       LEU  62  -8.607  -4.240  -3.782
  514    HG   LEU  62           HG       LEU  62 -10.132  -6.022  -2.797
  515   1HD1  LEU  62          1HD1      LEU  62  -9.653  -8.333  -3.478
  516   2HD1  LEU  62          2HD1      LEU  62  -8.675  -7.723  -4.813
  517   3HD1  LEU  62          3HD1      LEU  62 -10.408  -7.398  -4.769
  518   1HD2  LEU  62          1HD2      LEU  62  -7.928  -5.502  -1.884
  519   2HD2  LEU  62          2HD2      LEU  62  -7.185  -6.620  -3.028
  520   3HD2  LEU  62          3HD2      LEU  62  -8.270  -7.230  -1.778
  521    H    LEU  63           H        LEU  63 -10.184  -2.303  -3.999
  522    HA   LEU  63           HA       LEU  63 -12.080  -2.776  -1.919
  523   1HB   LEU  63          1HB       LEU  63 -10.910  -0.175  -2.912
  524   2HB   LEU  63          2HB       LEU  63 -11.762  -0.404  -1.398
  525    HG   LEU  63           HG       LEU  63  -9.154  -1.752  -2.099
  526   1HD1  LEU  63          1HD1      LEU  63  -9.678   0.639  -0.342
  527   2HD1  LEU  63          2HD1      LEU  63  -8.891   0.670  -1.920
  528   3HD1  LEU  63          3HD1      LEU  63  -8.126  -0.166  -0.570
  529   1HD2  LEU  63          1HD2      LEU  63 -10.672  -1.535   0.498
  530   2HD2  LEU  63          2HD2      LEU  63  -9.090  -2.285   0.285
  531   3HD2  LEU  63          3HD2      LEU  63 -10.510  -2.987  -0.492
  532    H    ASP  64           H        ASP  64 -12.157  -1.090  -5.020
  533    HA   ASP  64           HA       ASP  64 -14.722   0.079  -4.671
  534   1HB   ASP  64          1HB       ASP  64 -13.033   0.892  -6.296
  535   2HB   ASP  64          2HB       ASP  64 -13.270  -0.569  -7.249
  536    H    ASN  65           H        ASN  65 -13.609  -2.975  -6.021
  537    HA   ASN  65           HA       ASN  65 -16.213  -3.822  -6.874
  538   1HB   ASN  65          1HB       ASN  65 -13.641  -5.341  -6.416
  539   2HB   ASN  65          2HB       ASN  65 -15.120  -6.100  -6.994
  540   1HD2  ASN  65          1HD2      ASN  65 -12.520  -5.826  -8.282
  541   2HD2  ASN  65          2HD2      ASN  65 -12.803  -4.979  -9.766
  542    H    LYS  66           H        LYS  66 -14.778  -3.456  -3.895
  543    HA   LYS  66           HA       LYS  66 -15.517  -3.801  -1.789
  544   1HB   LYS  66          1HB       LYS  66 -18.016  -4.831  -3.141
  545   2HB   LYS  66          2HB       LYS  66 -17.871  -4.417  -1.437
  546   1HG   LYS  66          1HG       LYS  66 -17.435  -2.105  -2.002
  547   2HG   LYS  66          2HG       LYS  66 -17.479  -2.495  -3.721
  548   1HD   LYS  66          1HD       LYS  66 -19.833  -3.224  -3.441
  549   2HD   LYS  66          2HD       LYS  66 -19.763  -2.678  -1.762
  550   1HE   LYS  66          1HE       LYS  66 -19.248  -0.413  -2.525
  551   2HE   LYS  66          2HE       LYS  66 -19.313  -0.960  -4.199
  552   1HZ   LYS  66          1HZ       LYS  66 -21.376   0.040  -3.706
  553   2HZ   LYS  66          2HZ       LYS  66 -21.547  -0.816  -2.254
  554   3HZ   LYS  66          3HZ       LYS  66 -21.661  -1.630  -3.741
  555    H    GLN  67           H        GLN  67 -14.009  -5.835  -3.175
  556    HA   GLN  67           HA       GLN  67 -14.921  -8.426  -2.476
  557   1HB   GLN  67          1HB       GLN  67 -12.183  -7.305  -3.076
  558   2HB   GLN  67          2HB       GLN  67 -12.456  -9.008  -2.736
  559   1HG   GLN  67          1HG       GLN  67 -13.920  -7.561  -4.917
  560   2HG   GLN  67          2HG       GLN  67 -12.349  -8.321  -5.172
  561   1HE2  GLN  67          1HE2      GLN  67 -15.724  -8.878  -4.432
  562   2HE2  GLN  67          2HE2      GLN  67 -15.713 -10.576  -4.784
  563    HA   PRO  68           HA       PRO  68 -14.314  -8.540   1.875
  564   1HB   PRO  68          1HB       PRO  68 -13.430 -11.339   1.628
  565   2HB   PRO  68          2HB       PRO  68 -14.861 -10.677   2.424
  566   1HG   PRO  68          1HG       PRO  68 -15.047 -12.054   0.135
  567   2HG   PRO  68          2HG       PRO  68 -16.103 -10.670   0.473
  568   1HD   PRO  68          1HD       PRO  68 -13.651 -10.806  -1.248
  569   2HD   PRO  68          2HD       PRO  68 -15.203 -10.001  -1.564
  570    H    LEU  69           H        LEU  69 -11.782  -8.449  -0.110
  571    HA   LEU  69           HA       LEU  69  -9.613  -7.889   0.175
  572   1HB   LEU  69          1HB       LEU  69 -10.211  -8.142   3.124
  573   2HB   LEU  69          2HB       LEU  69  -8.705  -7.535   2.462
  574    HG   LEU  69           HG       LEU  69 -11.431  -6.265   2.180
  575   1HD1  LEU  69          1HD1      LEU  69  -8.950  -5.351   3.629
  576   2HD1  LEU  69          2HD1      LEU  69 -10.408  -5.993   4.384
  577   3HD1  LEU  69          3HD1      LEU  69 -10.472  -4.466   3.506
  578   1HD2  LEU  69          1HD2      LEU  69  -8.765  -5.388   1.079
  579   2HD2  LEU  69          2HD2      LEU  69 -10.251  -4.439   1.047
  580   3HD2  LEU  69          3HD2      LEU  69 -10.149  -5.950   0.143
  581    HA   PRO  70           HA       PRO  70  -7.267 -11.571   0.031
  582   1HB   PRO  70          1HB       PRO  70  -4.942 -10.741   1.348
  583   2HB   PRO  70          2HB       PRO  70  -5.284 -10.556  -0.374
  584   1HG   PRO  70          1HG       PRO  70  -5.584  -8.581   1.842
  585   2HG   PRO  70          2HG       PRO  70  -5.060  -8.320   0.167
  586   1HD   PRO  70          1HD       PRO  70  -7.515  -7.645   0.961
  587   2HD   PRO  70          2HD       PRO  70  -7.232  -8.345  -0.646
  588    H    GLY  71           H        GLY  71  -7.299  -9.957   3.197
  589   1HA   GLY  71          1HA       GLY  71  -8.033 -10.948   5.191
  590   2HA   GLY  71          2HA       GLY  71  -7.885 -12.526   4.433
  591    H    ALA  72           H        ALA  72  -5.202 -12.139   3.501
  592    HA   ALA  72           HA       ALA  72  -3.666 -11.887   5.972
  593   1HB   ALA  72          1HB       ALA  72  -3.532 -14.276   4.135
  594   2HB   ALA  72          2HB       ALA  72  -4.223 -14.256   5.758
  595   3HB   ALA  72          3HB       ALA  72  -2.495 -13.986   5.532
  596    H    PHE  73           H        PHE  73  -3.230  -9.896   4.775
  597    HA   PHE  73           HA       PHE  73  -1.221 -10.249   2.648
  598   1HB   PHE  73          1HB       PHE  73  -3.320  -9.016   2.046
  599   2HB   PHE  73          2HB       PHE  73  -2.909  -7.809   3.255
  600    HD1  PHE  73           HD2      PHE  73  -1.770  -9.356   0.096
  601    HD2  PHE  73           HD1      PHE  73  -1.467  -6.039   2.745
  602    HE1  PHE  73           HE2      PHE  73  -0.479  -8.127  -1.598
  603    HE2  PHE  73           HE1      PHE  73  -0.179  -4.802   1.053
  604    HZ   PHE  73           HZ       PHE  73   0.317  -5.848  -1.121
  605    H    ALA  74           H        ALA  74   0.814  -9.506   3.025
  606    HA   ALA  74           HA       ALA  74   1.300  -7.521   5.085
  607   1HB   ALA  74          1HB       ALA  74   2.515 -10.273   5.303
  608   2HB   ALA  74          2HB       ALA  74   1.260  -9.618   6.354
  609   3HB   ALA  74          3HB       ALA  74   2.868  -8.894   6.343
  610    H    VAL  75           H        VAL  75   2.436  -6.115   3.884
  611    HA   VAL  75           HA       VAL  75   4.552  -7.174   2.136
  612    HB   VAL  75           HB       VAL  75   4.686  -4.806   1.267
  613   1HG1  VAL  75          1HG1      VAL  75   2.069  -6.267   0.950
  614   2HG1  VAL  75          2HG1      VAL  75   3.556  -6.594   0.060
  615   3HG1  VAL  75          3HG1      VAL  75   2.721  -5.056  -0.155
  616   1HG2  VAL  75          1HG2      VAL  75   2.688  -3.394   1.638
  617   2HG2  VAL  75          2HG2      VAL  75   3.642  -3.630   3.101
  618   3HG2  VAL  75          3HG2      VAL  75   2.145  -4.533   2.870
  619    H    ALA  76           H        ALA  76   4.107  -5.517   5.114
  620    HA   ALA  76           HA       ALA  76   6.381  -3.953   5.305
  621   1HB   ALA  76          1HB       ALA  76   6.187  -4.133   7.706
  622   2HB   ALA  76          2HB       ALA  76   5.162  -5.557   7.543
  623   3HB   ALA  76          3HB       ALA  76   4.588  -3.989   6.978
  624    HA   PRO  77           HA       PRO  77   8.876  -7.799   7.058
  625   1HB   PRO  77          1HB       PRO  77   8.044 -10.207   6.007
  626   2HB   PRO  77          2HB       PRO  77   7.630  -9.620   7.620
  627   1HG   PRO  77          1HG       PRO  77   6.033  -9.509   5.093
  628   2HG   PRO  77          2HG       PRO  77   5.497  -9.885   6.742
  629   1HD   PRO  77          1HD       PRO  77   5.059  -7.478   5.660
  630   2HD   PRO  77          2HD       PRO  77   5.480  -7.652   7.378
  631    H    TYR  78           H        TYR  78   7.512  -7.517   3.870
  632    HA   TYR  78           HA       TYR  78   9.754  -8.770   2.553
  633   1HB   TYR  78          1HB       TYR  78   7.512  -8.872   1.544
  634   2HB   TYR  78          2HB       TYR  78   7.488  -7.115   1.409
  635    HD1  TYR  78           HD1      TYR  78   9.033 -10.203   0.135
  636    HD2  TYR  78           HD2      TYR  78   8.672  -5.994  -0.350
  637    HE1  TYR  78           HE1      TYR  78  10.120 -10.368  -2.061
  638    HE2  TYR  78           HE2      TYR  78   9.756  -6.147  -2.552
  639    HH   TYR  78           HH       TYR  78  11.338  -7.703  -3.720
  640    H    TYR  79           H        TYR  79   8.545  -5.480   3.061
  641    HA   TYR  79           HA       TYR  79  10.609  -4.254   1.531
  642   1HB   TYR  79          1HB       TYR  79   8.544  -3.208   3.438
  643   2HB   TYR  79          2HB       TYR  79   9.808  -2.154   2.812
  644    HD1  TYR  79           HD2      TYR  79   6.954  -4.300   1.828
  645    HD2  TYR  79           HD1      TYR  79   9.708  -1.297   0.609
  646    HE1  TYR  79           HE2      TYR  79   5.650  -3.946  -0.223
  647    HE2  TYR  79           HE1      TYR  79   8.409  -0.931  -1.446
  648    HH   TYR  79           HH       TYR  79   5.289  -2.204  -1.894
  649    H    GLU  80           H        GLU  80  10.532  -5.549   4.681
  650    HA   GLU  80           HA       GLU  80  12.580  -4.115   5.926
  651   1HB   GLU  80          1HB       GLU  80  11.279  -5.901   7.033
  652   2HB   GLU  80          2HB       GLU  80  12.079  -7.098   6.023
  653   1HG   GLU  80          1HG       GLU  80  14.258  -6.264   7.008
  654   2HG   GLU  80          2HG       GLU  80  13.275  -5.398   8.186
  655    H    MET  81           H        MET  81  12.643  -6.447   3.336
  656    HA   MET  81           HA       MET  81  15.574  -6.536   3.334
  657   1HB   MET  81          1HB       MET  81  13.645  -8.016   1.541
  658   2HB   MET  81          2HB       MET  81  15.360  -8.337   1.742
  659   1HG   MET  81          1HG       MET  81  14.989  -9.076   4.010
  660   2HG   MET  81          2HG       MET  81  13.277  -8.672   3.886
  661   1HE   MET  81          1HE       MET  81  12.146 -11.217   1.069
  662   2HE   MET  81          2HE       MET  81  12.857  -9.634   0.754
  663   3HE   MET  81          3HE       MET  81  11.667  -9.825   2.042
  664    H    ALA  82           H        ALA  82  12.825  -5.452   1.466
  665    HA   ALA  82           HA       ALA  82  14.326  -4.929  -0.920
  666   1HB   ALA  82          1HB       ALA  82  11.991  -5.616  -1.014
  667   2HB   ALA  82          2HB       ALA  82  12.231  -4.052  -1.796
  668   3HB   ALA  82          3HB       ALA  82  11.515  -4.133  -0.186
  669    H    LEU  83           H        LEU  83  13.490  -3.084   1.896
  670    HA   LEU  83           HA       LEU  83  14.194  -0.594   0.501
  671   1HB   LEU  83          1HB       LEU  83  11.971  -0.885   1.739
  672   2HB   LEU  83          2HB       LEU  83  12.915  -0.828   3.212
  673    HG   LEU  83           HG       LEU  83  13.654   1.440   2.680
  674   1HD1  LEU  83          1HD1      LEU  83  11.907   1.155   0.236
  675   2HD1  LEU  83          2HD1      LEU  83  13.667   1.275   0.247
  676   3HD1  LEU  83          3HD1      LEU  83  12.687   2.642   0.778
  677   1HD2  LEU  83          1HD2      LEU  83  10.669   1.086   2.451
  678   2HD2  LEU  83          2HD2      LEU  83  11.503   2.561   2.941
  679   3HD2  LEU  83          3HD2      LEU  83  11.593   1.119   3.952
  680    H    ALA  84           H        ALA  84  15.736   0.797   1.367
  681    HA   ALA  84           HA       ALA  84  18.041  -0.345   2.392
  682   1HB   ALA  84          1HB       ALA  84  18.847   1.928   2.717
  683   2HB   ALA  84          2HB       ALA  84  17.202   2.546   2.573
  684   3HB   ALA  84          3HB       ALA  84  17.981   1.783   1.187
  685    H    THR  85           H        THR  85  18.612  -1.033   4.313
  686    HA   THR  85           HA       THR  85  16.886  -0.862   6.558
  687    HB   THR  85           HB       THR  85  19.484  -1.703   7.360
  688    HG1  THR  85           HG1      THR  85  20.106  -2.045   5.264
  689   1HG2  THR  85          1HG2      THR  85  17.007  -3.282   6.642
  690   2HG2  THR  85          2HG2      THR  85  17.368  -2.583   8.221
  691   3HG2  THR  85          3HG2      THR  85  18.373  -3.882   7.582
  692    H    ASP  86           H        ASP  86  20.057   0.585   5.816
  693    HA   ASP  86           HA       ASP  86  20.235   1.865   8.378
  694   1HB   ASP  86          1HB       ASP  86  21.880   2.207   5.867
  695   2HB   ASP  86          2HB       ASP  86  22.264   2.903   7.429
  696    H    HIS  87           H        HIS  87  18.207   2.508   6.015
  697    HA   HIS  87           HA       HIS  87  18.592   5.421   6.025
  698   1HB   HIS  87          1HB       HIS  87  18.433   4.048   3.849
  699   2HB   HIS  87          2HB       HIS  87  16.723   3.887   4.226
  700    HD1  HIS  87           HD1      HIS  87  19.168   6.813   4.060
  701    HD2  HIS  87           HD2      HIS  87  15.320   5.749   2.893
  702    HE1  HIS  87           HE1      HIS  87  18.267   8.791   2.794
  703    HE2  HIS  87           HE2      HIS  87  16.025   8.040   1.931
  704    HA   PRO  88           HA       PRO  88  15.520   4.998   9.335
  705   1HB   PRO  88          1HB       PRO  88  15.305   7.791   9.572
  706   2HB   PRO  88          2HB       PRO  88  16.335   6.722  10.525
  707   1HG   PRO  88          1HG       PRO  88  17.005   8.384   8.153
  708   2HG   PRO  88          2HG       PRO  88  18.003   7.970   9.557
  709   1HD   PRO  88          1HD       PRO  88  18.394   6.808   7.179
  710   2HD   PRO  88          2HD       PRO  88  18.578   5.893   8.691
  711    H    GLN  89           H        GLN  89  15.117   6.895   6.391
  712    HA   GLN  89           HA       GLN  89  12.458   7.682   6.704
  713   1HB   GLN  89          1HB       GLN  89  13.886   6.864   4.172
  714   2HB   GLN  89          2HB       GLN  89  12.318   7.653   4.218
  715   1HG   GLN  89          1HG       GLN  89  13.413   9.561   5.408
  716   2HG   GLN  89          2HG       GLN  89  14.962   8.779   5.090
  717   1HE2  GLN  89          1HE2      GLN  89  14.063  11.355   4.177
  718   2HE2  GLN  89          2HE2      GLN  89  14.072  11.306   2.441
  719    H    ARG  90           H        ARG  90  13.770   4.528   6.219
  720    HA   ARG  90           HA       ARG  90  11.544   3.277   5.019
  721   1HB   ARG  90          1HB       ARG  90  12.499   1.172   5.741
  722   2HB   ARG  90          2HB       ARG  90  13.775   2.219   5.142
  723   1HG   ARG  90          1HG       ARG  90  14.584   2.648   7.308
  724   2HG   ARG  90          2HG       ARG  90  13.136   1.978   8.064
  725   1HD   ARG  90          1HD       ARG  90  13.722  -0.239   7.303
  726   2HD   ARG  90          2HD       ARG  90  15.110   0.400   6.421
  727    HE   ARG  90           HE       ARG  90  16.216   0.788   8.465
  728   1HH1  ARG  90          1HH1      ARG  90  13.127  -0.816   8.884
  729   2HH1  ARG  90          2HH1      ARG  90  13.469  -1.313  10.513
  730   1HH2  ARG  90          1HH2      ARG  90  16.666   0.111  10.594
  731   2HH2  ARG  90          2HH2      ARG  90  15.466  -0.801  11.471
  732    H    ALA  91           H        ALA  91  12.203   4.229   8.306
  733    HA   ALA  91           HA       ALA  91  10.414   2.495   9.625
  734   1HB   ALA  91          1HB       ALA  91  12.119   3.742  10.832
  735   2HB   ALA  91          2HB       ALA  91  10.518   4.103  11.479
  736   3HB   ALA  91          3HB       ALA  91  11.323   5.260  10.420
  737    H    LEU  92           H        LEU  92  10.012   5.677   8.178
  738    HA   LEU  92           HA       LEU  92   7.354   6.166   8.937
  739   1HB   LEU  92          1HB       LEU  92   8.837   7.001   6.440
  740   2HB   LEU  92          2HB       LEU  92   7.312   7.681   6.970
  741    HG   LEU  92           HG       LEU  92   9.837   7.828   8.613
  742   1HD1  LEU  92          1HD1      LEU  92  10.055  10.119   7.812
  743   2HD1  LEU  92          2HD1      LEU  92   8.681   9.883   6.733
  744   3HD1  LEU  92          3HD1      LEU  92  10.169   8.971   6.478
  745   1HD2  LEU  92          1HD2      LEU  92   7.241   9.360   8.731
  746   2HD2  LEU  92          2HD2      LEU  92   8.640   9.601   9.779
  747   3HD2  LEU  92          3HD2      LEU  92   7.738   8.086   9.844
  748    H    ILE  93           H        ILE  93   8.732   4.559   6.118
  749    HA   ILE  93           HA       ILE  93   6.235   4.116   4.826
  750    HB   ILE  93           HB       ILE  93   8.897   2.765   4.346
  751   1HG1  ILE  93          1HG1      ILE  93   7.625   5.167   3.011
  752   2HG1  ILE  93          2HG1      ILE  93   8.990   5.218   4.120
  753   1HG2  ILE  93          1HG2      ILE  93   7.992   2.267   2.113
  754   2HG2  ILE  93          2HG2      ILE  93   6.439   2.945   2.601
  755   3HG2  ILE  93          3HG2      ILE  93   7.055   1.493   3.390
  756   1HD1  ILE  93          1HD1      ILE  93   8.967   3.872   1.429
  757   2HD1  ILE  93          2HD1      ILE  93  10.338   3.966   2.533
  758   3HD1  ILE  93          3HD1      ILE  93   9.694   5.436   1.802
  759    H    LEU  94           H        LEU  94   8.394   2.062   6.774
  760    HA   LEU  94           HA       LEU  94   6.950  -0.327   6.466
  761   1HB   LEU  94          1HB       LEU  94   8.760   0.613   8.682
  762   2HB   LEU  94          2HB       LEU  94   8.088  -1.004   8.613
  763    HG   LEU  94           HG       LEU  94   9.913   0.212   6.537
  764   1HD1  LEU  94          1HD1      LEU  94  10.453  -1.870   8.650
  765   2HD1  LEU  94          2HD1      LEU  94  11.070  -0.218   8.635
  766   3HD1  LEU  94          3HD1      LEU  94  11.577  -1.360   7.391
  767   1HD2  LEU  94          1HD2      LEU  94   8.378  -1.406   5.572
  768   2HD2  LEU  94          2HD2      LEU  94   8.805  -2.580   6.817
  769   3HD2  LEU  94          3HD2      LEU  94  10.012  -2.066   5.637
  770    H    ALA  95           H        ALA  95   6.733   2.202   8.954
  771    HA   ALA  95           HA       ALA  95   4.760   0.967  10.528
  772   1HB   ALA  95          1HB       ALA  95   5.264   3.911  10.086
  773   2HB   ALA  95          2HB       ALA  95   6.005   2.896  11.325
  774   3HB   ALA  95          3HB       ALA  95   4.272   3.225  11.373
  775    H    GLU  96           H        GLU  96   4.563   3.020   7.681
  776    HA   GLU  96           HA       GLU  96   1.745   3.280   7.636
  777   1HB   GLU  96          1HB       GLU  96   3.461   4.670   6.367
  778   2HB   GLU  96          2HB       GLU  96   3.580   3.330   5.238
  779   1HG   GLU  96          1HG       GLU  96   2.088   4.858   4.269
  780   2HG   GLU  96          2HG       GLU  96   1.093   3.550   4.910
  781    H    LEU  97           H        LEU  97   4.015   1.009   6.158
  782    HA   LEU  97           HA       LEU  97   2.178  -0.463   4.633
  783   1HB   LEU  97          1HB       LEU  97   4.785  -1.322   5.884
  784   2HB   LEU  97          2HB       LEU  97   3.897  -2.263   4.700
  785    HG   LEU  97           HG       LEU  97   5.081   0.474   4.224
  786   1HD1  LEU  97          1HD1      LEU  97   6.788  -1.244   4.471
  787   2HD1  LEU  97          2HD1      LEU  97   6.671  -0.705   2.795
  788   3HD1  LEU  97          3HD1      LEU  97   5.963  -2.248   3.276
  789   1HD2  LEU  97          1HD2      LEU  97   3.726  -1.450   2.336
  790   2HD2  LEU  97          2HD2      LEU  97   4.519   0.059   1.878
  791   3HD2  LEU  97          3HD2      LEU  97   3.078   0.093   2.893
  792    H    GLU  98           H        GLU  98   3.466  -1.102   7.908
  793    HA   GLU  98           HA       GLU  98   2.028  -3.429   8.439
  794   1HB   GLU  98          1HB       GLU  98   2.893  -1.227  10.315
  795   2HB   GLU  98          2HB       GLU  98   2.197  -2.745  10.858
  796   1HG   GLU  98          1HG       GLU  98   4.070  -3.918   9.688
  797   2HG   GLU  98          2HG       GLU  98   4.798  -2.334   9.412
  798    H    LYS  99           H        LYS  99   1.109  -0.064   8.770
  799    HA   LYS  99           HA       LYS  99  -1.355  -0.439  10.070
  800   1HB   LYS  99          1HB       LYS  99  -0.134   1.717   9.888
  801   2HB   LYS  99          2HB       LYS  99  -0.518   1.764   8.175
  802   1HG   LYS  99          1HG       LYS  99  -2.885   1.914   8.688
  803   2HG   LYS  99          2HG       LYS  99  -2.528   1.814  10.415
  804   1HD   LYS  99          1HD       LYS  99  -2.890   4.133   9.724
  805   2HD   LYS  99          2HD       LYS  99  -1.231   3.882  10.268
  806   1HE   LYS  99          1HE       LYS  99  -0.470   3.738   7.984
  807   2HE   LYS  99          2HE       LYS  99  -2.126   3.899   7.396
  808   1HZ   LYS  99          1HZ       LYS  99  -2.223   6.118   8.283
  809   2HZ   LYS  99          2HZ       LYS  99  -0.846   5.979   7.298
  810   3HZ   LYS  99          3HZ       LYS  99  -0.689   5.960   8.988
  811    H    LEU 100           H        LEU 100  -0.405  -0.494   6.687
  812    HA   LEU 100           HA       LEU 100  -3.092  -0.681   5.689
  813   1HB   LEU 100          1HB       LEU 100  -1.301   0.291   4.339
  814   2HB   LEU 100          2HB       LEU 100  -0.442  -1.237   4.356
  815    HG   LEU 100           HG       LEU 100  -2.269  -2.276   3.078
  816   1HD1  LEU 100          1HD1      LEU 100  -4.015  -0.863   2.092
  817   2HD1  LEU 100          2HD1      LEU 100  -3.430   0.507   3.038
  818   3HD1  LEU 100          3HD1      LEU 100  -4.115  -0.899   3.853
  819   1HD2  LEU 100          1HD2      LEU 100  -1.850  -1.118   0.959
  820   2HD2  LEU 100          2HD2      LEU 100  -0.368  -1.329   1.889
  821   3HD2  LEU 100          3HD2      LEU 100  -1.165   0.244   1.844
  822    H    ASP 101           H        ASP 101  -0.427  -2.941   6.277
  823    HA   ASP 101           HA       ASP 101  -1.577  -5.283   5.307
  824   1HB   ASP 101          1HB       ASP 101   0.278  -4.859   7.660
  825   2HB   ASP 101          2HB       ASP 101  -0.173  -6.452   7.070
  826    H    ALA 102           H        ALA 102  -1.961  -3.691   8.428
  827    HA   ALA 102           HA       ALA 102  -3.573  -5.701   9.618
  828   1HB   ALA 102          1HB       ALA 102  -2.335  -4.039  10.928
  829   2HB   ALA 102          2HB       ALA 102  -4.050  -4.045  11.333
  830   3HB   ALA 102          3HB       ALA 102  -3.390  -2.770  10.309
  831    H    LEU 103           H        LEU 103  -4.264  -3.144   7.390
  832    HA   LEU 103           HA       LEU 103  -7.070  -2.984   7.971
  833   1HB   LEU 103          1HB       LEU 103  -5.469  -2.061   5.585
  834   2HB   LEU 103          2HB       LEU 103  -7.182  -1.753   5.791
  835    HG   LEU 103           HG       LEU 103  -4.995  -0.758   7.621
  836   1HD1  LEU 103          1HD1      LEU 103  -5.527   1.438   6.695
  837   2HD1  LEU 103          2HD1      LEU 103  -6.673   0.696   5.580
  838   3HD1  LEU 103          3HD1      LEU 103  -4.951   0.335   5.447
  839   1HD2  LEU 103          1HD2      LEU 103  -7.118  -1.167   8.780
  840   2HD2  LEU 103          2HD2      LEU 103  -7.949  -0.152   7.600
  841   3HD2  LEU 103          3HD2      LEU 103  -6.743   0.554   8.677
  842    H    PHE 104           H        PHE 104  -5.038  -4.802   5.766
  843    HA   PHE 104           HA       PHE 104  -7.263  -5.886   4.297
  844   1HB   PHE 104          1HB       PHE 104  -4.317  -6.503   4.326
  845   2HB   PHE 104          2HB       PHE 104  -5.462  -7.444   3.376
  846    HD1  PHE 104           HD1      PHE 104  -7.083  -5.961   1.890
  847    HD2  PHE 104           HD2      PHE 104  -3.249  -4.768   3.289
  848    HE1  PHE 104           HE1      PHE 104  -6.925  -4.336   0.052
  849    HE2  PHE 104           HE2      PHE 104  -3.085  -3.136   1.459
  850    HZ   PHE 104           HZ       PHE 104  -4.922  -2.926  -0.166
  851    H    ALA 105           H        ALA 105  -5.986  -6.530   7.307
  852    HA   ALA 105           HA       ALA 105  -6.616  -9.377   7.255
  853   1HB   ALA 105          1HB       ALA 105  -5.563  -7.663   9.503
  854   2HB   ALA 105          2HB       ALA 105  -4.586  -8.643   8.412
  855   3HB   ALA 105          3HB       ALA 105  -5.716  -9.419   9.520
  856    H    ASP 106           H        ASP 106  -7.975  -6.355   8.222
  857    HA   ASP 106           HA       ASP 106 -10.148  -7.771   9.616
  858   1HB   ASP 106          1HB       ASP 106  -8.847  -6.476  11.214
  859   2HB   ASP 106          2HB       ASP 106  -9.008  -5.034  10.221
  860    H    ASP 107           H        ASP 107 -11.575  -7.924   7.948
  861    HA   ASP 107           HA       ASP 107 -12.516  -5.381   6.790
  862   1HB   ASP 107          1HB       ASP 107 -11.877  -6.849   5.014
  863   2HB   ASP 107          2HB       ASP 107 -12.706  -8.214   5.756
  864    H    ALA 108           H        ALA 108 -14.443  -4.659   7.371
  865    HA   ALA 108           HA       ALA 108 -16.172  -6.263   9.052
  866   1HB   ALA 108          1HB       ALA 108 -17.549  -4.245   9.197
  867   2HB   ALA 108          2HB       ALA 108 -16.540  -3.465   7.978
  868   3HB   ALA 108          3HB       ALA 108 -15.857  -3.889   9.548
  869    H    SER 109           H        SER 109 -17.078  -7.863   7.884
  870    HA   SER 109           HA       SER 109 -18.099  -7.397   5.223
  871   1HB   SER 109          1HB       SER 109 -18.256  -9.904   6.907
  872   2HB   SER 109          2HB       SER 109 -18.444  -9.785   5.156
  873    HG   SER 109           HG       SER 109 -16.154  -8.743   5.453
  874    H    LEU 110           H        LEU 110 -20.312  -8.296   4.679
  875    HA   LEU 110           HA       LEU 110 -22.206  -6.940   6.414
  876   1HB   LEU 110          1HB       LEU 110 -22.598  -8.241   3.714
  877   2HB   LEU 110          2HB       LEU 110 -23.792  -7.282   4.565
  878    HG   LEU 110           HG       LEU 110 -21.141  -6.240   3.562
  879   1HD1  LEU 110          1HD1      LEU 110 -23.932  -5.897   2.471
  880   2HD1  LEU 110          2HD1      LEU 110 -22.621  -6.806   1.720
  881   3HD1  LEU 110          3HD1      LEU 110 -22.494  -5.056   1.892
  882   1HD2  LEU 110          1HD2      LEU 110 -21.933  -5.044   5.524
  883   2HD2  LEU 110          2HD2      LEU 110 -23.515  -4.828   4.775
  884   3HD2  LEU 110          3HD2      LEU 110 -22.097  -4.040   4.083
  885    H    GLU 111           H        GLU 111 -22.032 -10.111   4.800
  886    HA   GLU 111           HA       GLU 111 -24.134 -11.165   6.455
  887   1HB   GLU 111          1HB       GLU 111 -23.977 -11.954   4.183
  888   2HB   GLU 111          2HB       GLU 111 -22.312 -12.462   4.427
  889   1HG   GLU 111          1HG       GLU 111 -23.088 -14.130   6.063
  890   2HG   GLU 111          2HG       GLU 111 -24.751 -13.649   5.733
  891    H    HIS 112           H        HIS 112 -23.981 -12.380   8.205
  892    HA   HIS 112           HA       HIS 112 -21.299 -13.262   9.054
  893   1HB   HIS 112          1HB       HIS 112 -23.604 -12.400  10.828
  894   2HB   HIS 112          2HB       HIS 112 -22.050 -13.004  11.389
  895    HD1  HIS 112           HD1      HIS 112 -20.023 -11.391   9.959
  896    HD2  HIS 112           HD2      HIS 112 -23.624  -9.739  11.233
  897    HE1  HIS 112           HE1      HIS 112 -19.622  -8.910  10.109
  898    HE2  HIS 112           HE2      HIS 112 -21.844  -7.917  10.763
  899    H    HIS 113           H        HIS 113 -21.102 -15.387   9.518
  900    HA   HIS 113           HA       HIS 113 -23.093 -17.170   8.582
  901   1HB   HIS 113          1HB       HIS 113 -20.635 -17.677  10.277
  902   2HB   HIS 113          2HB       HIS 113 -21.641 -18.951   9.596
  903    HD1  HIS 113           HD1      HIS 113 -20.669 -19.894   7.537
  904    HD2  HIS 113           HD2      HIS 113 -19.744 -15.859   7.973
  905    HE1  HIS 113           HE1      HIS 113 -19.272 -19.290   5.533
  906    HE2  HIS 113           HE2      HIS 113 -18.827 -16.817   5.752
  907    H    HIS 114           H        HIS 114 -22.096 -16.122  11.767
  908    HA   HIS 114           HA       HIS 114 -24.684 -17.080  12.795
  909   1HB   HIS 114          1HB       HIS 114 -22.158 -16.537  14.386
  910   2HB   HIS 114          2HB       HIS 114 -23.690 -17.112  15.035
  911    HD1  HIS 114           HD1      HIS 114 -20.554 -18.401  14.474
  912    HD2  HIS 114           HD2      HIS 114 -24.336 -19.681  13.307
  913    HE1  HIS 114           HE1      HIS 114 -20.315 -20.852  13.953
  914    HE2  HIS 114           HE2      HIS 114 -22.567 -21.554  13.068
  915    H    HIS 115           H        HIS 115 -25.907 -15.547  13.962
  916    HA   HIS 115           HA       HIS 115 -25.480 -12.915  12.901
  917   1HB   HIS 115          1HB       HIS 115 -27.665 -14.107  14.591
  918   2HB   HIS 115          2HB       HIS 115 -27.630 -12.393  14.181
  919    HD1  HIS 115           HD1      HIS 115 -27.954 -11.769  11.652
  920    HD2  HIS 115           HD2      HIS 115 -28.450 -15.807  12.533
  921    HE1  HIS 115           HE1      HIS 115 -29.071 -12.773   9.637
  922    HE2  HIS 115           HE2      HIS 115 -29.235 -15.237  10.132
  923    H    HIS 116           H        HIS 116 -24.056 -14.302  15.432
  924    HA   HIS 116           HA       HIS 116 -23.528 -11.643  16.559
  925   1HB   HIS 116          1HB       HIS 116 -23.720 -14.207  18.158
  926   2HB   HIS 116          2HB       HIS 116 -23.150 -12.667  18.787
  927    HD1  HIS 116           HD1      HIS 116 -25.065 -10.659  18.486
  928    HD2  HIS 116           HD2      HIS 116 -26.350 -14.613  18.574
  929    HE1  HIS 116           HE1      HIS 116 -27.509 -10.565  19.067
  930    HE2  HIS 116           HE2      HIS 116 -28.312 -12.948  18.850
  931    H    HIS 117           H        HIS 117 -22.096 -14.742  17.450
  932    HA   HIS 117           HA       HIS 117 -19.812 -14.406  15.724
  933   1HB   HIS 117          1HB       HIS 117 -19.622 -13.863  18.670
  934   2HB   HIS 117          2HB       HIS 117 -18.269 -14.625  17.844
  935    HD1  HIS 117           HD1      HIS 117 -17.150 -13.185  15.882
  936    HD2  HIS 117           HD2      HIS 117 -19.780 -11.143  18.384
  937    HE1  HIS 117           HE1      HIS 117 -16.701 -10.741  15.495
  938    HE2  HIS 117           HE2      HIS 117 -18.329  -9.520  16.983
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1 -19.413   2.966   7.965
    2   2H    MET   1          2H        MET   1 -20.107   2.815   6.427
    3   3H    MET   1          3H        MET   1 -19.703   4.347   7.023
    4    HA   MET   1           HA       MET   1 -18.094   3.623   5.400
    5   1HB   MET   1          1HB       MET   1 -17.033   3.579   8.239
    6   2HB   MET   1          2HB       MET   1 -16.048   3.798   6.802
    7   1HG   MET   1          1HG       MET   1 -17.272   5.863   6.298
    8   2HG   MET   1          2HG       MET   1 -18.211   5.647   7.774
    9   1HE   MET   1          1HE       MET   1 -13.669   6.489   7.667
   10   2HE   MET   1          2HE       MET   1 -14.696   6.408   6.234
   11   3HE   MET   1          3HE       MET   1 -14.361   4.945   7.166
   12    H    THR   2           H        THR   2 -16.634   2.074   4.652
   13    HA   THR   2           HA       THR   2 -16.933  -0.572   5.916
   14    HB   THR   2           HB       THR   2 -16.548  -1.563   3.701
   15    HG1  THR   2           HG1      THR   2 -16.365   1.173   2.912
   16   1HG2  THR   2          1HG2      THR   2 -18.848  -1.145   4.406
   17   2HG2  THR   2          2HG2      THR   2 -18.682  -0.945   2.662
   18   3HG2  THR   2          3HG2      THR   2 -18.779   0.473   3.706
   19    H    THR   3           H        THR   3 -15.029  -2.041   5.416
   20    HA   THR   3           HA       THR   3 -12.629  -0.809   6.261
   21    HB   THR   3           HB       THR   3 -13.276  -3.225   6.648
   22    HG1  THR   3           HG1      THR   3 -11.231  -3.455   7.094
   23   1HG2  THR   3          1HG2      THR   3 -13.942  -3.792   4.362
   24   2HG2  THR   3          2HG2      THR   3 -12.666  -4.864   4.935
   25   3HG2  THR   3          3HG2      THR   3 -12.283  -3.556   3.815
   26    H    HIS   4           H        HIS   4 -14.027  -1.404   3.147
   27    HA   HIS   4           HA       HIS   4 -11.703  -1.237   1.554
   28   1HB   HIS   4          1HB       HIS   4 -14.576  -0.542   0.920
   29   2HB   HIS   4          2HB       HIS   4 -13.289  -0.527  -0.276
   30    HD1  HIS   4           HD1      HIS   4 -15.961  -2.530   0.438
   31    HD2  HIS   4           HD2      HIS   4 -11.890  -3.364   0.156
   32    HE1  HIS   4           HE1      HIS   4 -15.799  -4.998  -0.036
   33    HE2  HIS   4           HE2      HIS   4 -13.343  -5.447  -0.369
   34    H    ASP   5           H        ASP   5 -13.760   1.185   3.032
   35    HA   ASP   5           HA       ASP   5 -12.735   3.445   1.665
   36   1HB   ASP   5          1HB       ASP   5 -13.977   3.214   4.416
   37   2HB   ASP   5          2HB       ASP   5 -13.613   4.740   3.618
   38    H    ARG   6           H        ARG   6 -11.905   1.894   4.718
   39    HA   ARG   6           HA       ARG   6  -9.947   3.725   5.540
   40   1HB   ARG   6          1HB       ARG   6 -10.421   0.824   6.201
   41   2HB   ARG   6          2HB       ARG   6  -9.157   1.776   6.969
   42   1HG   ARG   6          1HG       ARG   6 -10.664   3.127   8.085
   43   2HG   ARG   6          2HG       ARG   6 -11.971   2.771   6.955
   44   1HD   ARG   6          1HD       ARG   6 -12.297   1.713   9.153
   45   2HD   ARG   6          2HD       ARG   6 -12.189   0.542   7.841
   46    HE   ARG   6           HE       ARG   6  -9.755   1.102   9.357
   47   1HH1  ARG   6          1HH1      ARG   6 -12.495  -0.996   8.775
   48   2HH1  ARG   6          2HH1      ARG   6 -11.725  -2.409   9.438
   49   1HH2  ARG   6          1HH2      ARG   6  -8.752  -0.728  10.302
   50   2HH2  ARG   6          2HH2      ARG   6  -9.607  -2.248  10.338
   51    H    VAL   7           H        VAL   7  -9.694   0.760   3.613
   52    HA   VAL   7           HA       VAL   7  -6.882   0.837   3.319
   53    HB   VAL   7           HB       VAL   7  -8.917  -0.319   1.403
   54   1HG1  VAL   7          1HG1      VAL   7  -7.072  -1.763   0.665
   55   2HG1  VAL   7          2HG1      VAL   7  -5.971  -0.886   1.728
   56   3HG1  VAL   7          3HG1      VAL   7  -6.732  -0.058   0.369
   57   1HG2  VAL   7          1HG2      VAL   7  -8.458  -2.455   2.543
   58   2HG2  VAL   7          2HG2      VAL   7  -9.194  -1.263   3.613
   59   3HG2  VAL   7          3HG2      VAL   7  -7.465  -1.595   3.720
   60    H    ARG   8           H        ARG   8  -9.532   2.192   1.419
   61    HA   ARG   8           HA       ARG   8  -8.016   3.219  -0.708
   62   1HB   ARG   8          1HB       ARG   8 -10.415   3.007  -0.865
   63   2HB   ARG   8          2HB       ARG   8 -10.643   4.127   0.469
   64   1HG   ARG   8          1HG       ARG   8  -9.818   5.955  -0.861
   65   2HG   ARG   8          2HG       ARG   8  -9.424   4.855  -2.184
   66   1HD   ARG   8          1HD       ARG   8 -11.555   6.109  -2.500
   67   2HD   ARG   8          2HD       ARG   8 -11.731   4.356  -2.551
   68    HE   ARG   8           HE       ARG   8 -12.749   4.434  -0.398
   69   1HH1  ARG   8          1HH1      ARG   8 -12.132   7.587  -1.788
   70   2HH1  ARG   8          2HH1      ARG   8 -13.343   8.385  -0.829
   71   1HH2  ARG   8          1HH2      ARG   8 -14.344   5.485   0.887
   72   2HH2  ARG   8          2HH2      ARG   8 -14.568   7.204   0.711
   73    H    LEU   9           H        LEU   9  -9.032   4.724   2.347
   74    HA   LEU   9           HA       LEU   9  -7.842   7.245   1.842
   75   1HB   LEU   9          1HB       LEU   9  -8.428   5.921   4.496
   76   2HB   LEU   9          2HB       LEU   9  -8.072   7.621   4.259
   77    HG   LEU   9           HG       LEU   9 -10.506   6.160   3.230
   78   1HD1  LEU   9          1HD1      LEU   9 -11.723   7.551   4.822
   79   2HD1  LEU   9          2HD1      LEU   9 -10.204   8.249   5.383
   80   3HD1  LEU   9          3HD1      LEU   9 -10.536   6.536   5.642
   81   1HD2  LEU   9          1HD2      LEU   9  -9.793   7.914   1.687
   82   2HD2  LEU   9          2HD2      LEU   9  -9.755   9.074   3.015
   83   3HD2  LEU   9          3HD2      LEU   9 -11.288   8.360   2.511
   84    H    GLN  10           H        GLN  10  -6.641   4.230   3.106
   85    HA   GLN  10           HA       GLN  10  -4.194   5.242   4.149
   86   1HB   GLN  10          1HB       GLN  10  -5.270   3.061   4.775
   87   2HB   GLN  10          2HB       GLN  10  -4.793   2.438   3.203
   88   1HG   GLN  10          1HG       GLN  10  -3.306   1.798   5.095
   89   2HG   GLN  10          2HG       GLN  10  -2.492   2.586   3.744
   90   1HE2  GLN  10          1HE2      GLN  10  -1.431   4.466   4.080
   91   2HE2  GLN  10          2HE2      GLN  10  -1.289   5.245   5.621
   92    H    LEU  11           H        LEU  11  -5.237   3.986   1.035
   93    HA   LEU  11           HA       LEU  11  -2.721   3.918  -0.222
   94   1HB   LEU  11          1HB       LEU  11  -5.442   4.500  -1.400
   95   2HB   LEU  11          2HB       LEU  11  -4.002   4.150  -2.335
   96    HG   LEU  11           HG       LEU  11  -5.316   2.246  -0.395
   97   1HD1  LEU  11          1HD1      LEU  11  -5.961   0.998  -2.404
   98   2HD1  LEU  11          2HD1      LEU  11  -5.313   2.297  -3.409
   99   3HD1  LEU  11          3HD1      LEU  11  -6.696   2.601  -2.357
  100   1HD2  LEU  11          1HD2      LEU  11  -2.902   1.913  -0.571
  101   2HD2  LEU  11          2HD2      LEU  11  -3.035   1.831  -2.328
  102   3HD2  LEU  11          3HD2      LEU  11  -3.786   0.588  -1.326
  103    H    GLN  12           H        GLN  12  -5.082   6.494   0.237
  104    HA   GLN  12           HA       GLN  12  -3.703   8.487  -1.223
  105   1HB   GLN  12          1HB       GLN  12  -5.688   8.689   1.044
  106   2HB   GLN  12          2HB       GLN  12  -5.058  10.085   0.182
  107   1HG   GLN  12          1HG       GLN  12  -5.988   9.180  -1.910
  108   2HG   GLN  12          2HG       GLN  12  -6.679   7.837  -0.999
  109   1HE2  GLN  12          1HE2      GLN  12  -7.948   9.986  -2.589
  110   2HE2  GLN  12          2HE2      GLN  12  -9.054  10.776  -1.509
  111    H    ALA  13           H        ALA  13  -3.536   7.419   2.136
  112    HA   ALA  13           HA       ALA  13  -1.809   9.466   3.059
  113   1HB   ALA  13          1HB       ALA  13  -1.376   7.987   4.958
  114   2HB   ALA  13          2HB       ALA  13  -2.163   6.659   4.106
  115   3HB   ALA  13          3HB       ALA  13  -3.099   8.072   4.591
  116    H    LEU  14           H        LEU  14  -1.203   6.196   1.813
  117    HA   LEU  14           HA       LEU  14   1.602   6.250   1.997
  118   1HB   LEU  14          1HB       LEU  14   0.316   4.205   1.556
  119   2HB   LEU  14          2HB       LEU  14  -0.150   4.828  -0.014
  120    HG   LEU  14           HG       LEU  14   2.225   4.788  -0.710
  121   1HD1  LEU  14          1HD1      LEU  14   3.273   5.025   1.469
  122   2HD1  LEU  14          2HD1      LEU  14   3.847   3.567   0.661
  123   3HD1  LEU  14          3HD1      LEU  14   2.656   3.446   1.955
  124   1HD2  LEU  14          1HD2      LEU  14   2.401   2.350  -0.898
  125   2HD2  LEU  14          2HD2      LEU  14   0.769   2.920  -1.245
  126   3HD2  LEU  14          3HD2      LEU  14   1.129   2.173   0.310
  127    H    GLU  15           H        GLU  15  -0.595   7.188  -0.609
  128    HA   GLU  15           HA       GLU  15   1.261   8.041  -2.499
  129   1HB   GLU  15          1HB       GLU  15  -1.091   7.826  -3.022
  130   2HB   GLU  15          2HB       GLU  15  -1.508   9.071  -1.855
  131   1HG   GLU  15          1HG       GLU  15  -0.282  10.715  -3.222
  132   2HG   GLU  15          2HG       GLU  15   0.028   9.454  -4.415
  133    H    ALA  16           H        ALA  16  -0.204   9.795   0.217
  134    HA   ALA  16           HA       ALA  16   0.984  12.293  -0.280
  135   1HB   ALA  16          1HB       ALA  16  -0.902  11.989   1.254
  136   2HB   ALA  16          2HB       ALA  16   0.442  12.825   2.034
  137   3HB   ALA  16          3HB       ALA  16   0.149  11.118   2.370
  138    H    LEU  17           H        LEU  17   2.070   9.500   1.598
  139    HA   LEU  17           HA       LEU  17   4.416  10.662   2.649
  140   1HB   LEU  17          1HB       LEU  17   3.394   8.521   3.416
  141   2HB   LEU  17          2HB       LEU  17   3.953   7.765   1.934
  142    HG   LEU  17           HG       LEU  17   6.277   8.806   2.877
  143   1HD1  LEU  17          1HD1      LEU  17   4.677   7.968   5.289
  144   2HD1  LEU  17          2HD1      LEU  17   5.252   9.598   4.933
  145   3HD1  LEU  17          3HD1      LEU  17   6.408   8.308   5.264
  146   1HD2  LEU  17          1HD2      LEU  17   5.941   6.548   2.058
  147   2HD2  LEU  17          2HD2      LEU  17   5.091   6.119   3.545
  148   3HD2  LEU  17          3HD2      LEU  17   6.805   6.536   3.595
  149    H    LEU  18           H        LEU  18   3.801   8.800  -0.297
  150    HA   LEU  18           HA       LEU  18   6.443   8.788  -1.276
  151   1HB   LEU  18          1HB       LEU  18   3.840   8.731  -2.809
  152   2HB   LEU  18          2HB       LEU  18   5.412   8.329  -3.472
  153    HG   LEU  18           HG       LEU  18   4.011   6.820  -1.265
  154   1HD1  LEU  18          1HD1      LEU  18   2.917   6.515  -3.407
  155   2HD1  LEU  18          2HD1      LEU  18   3.778   5.050  -2.935
  156   3HD1  LEU  18          3HD1      LEU  18   4.463   6.119  -4.158
  157   1HD2  LEU  18          1HD2      LEU  18   5.801   5.176  -1.560
  158   2HD2  LEU  18          2HD2      LEU  18   6.432   6.735  -1.034
  159   3HD2  LEU  18          3HD2      LEU  18   6.591   6.244  -2.719
  160    H    ARG  19           H        ARG  19   3.775  11.045  -1.661
  161    HA   ARG  19           HA       ARG  19   4.924  12.884  -3.401
  162   1HB   ARG  19          1HB       ARG  19   2.645  13.153  -2.851
  163   2HB   ARG  19          2HB       ARG  19   2.972  13.143  -1.125
  164   1HG   ARG  19          1HG       ARG  19   4.200  15.328  -1.489
  165   2HG   ARG  19          2HG       ARG  19   3.472  15.345  -3.099
  166   1HD   ARG  19          1HD       ARG  19   1.275  15.380  -2.194
  167   2HD   ARG  19          2HD       ARG  19   1.870  15.045  -0.569
  168    HE   ARG  19           HE       ARG  19   2.200  17.592  -2.022
  169   1HH1  ARG  19          1HH1      ARG  19   2.184  15.738   0.948
  170   2HH1  ARG  19          2HH1      ARG  19   2.248  17.135   1.981
  171   1HH2  ARG  19          1HH2      ARG  19   2.258  19.440  -0.657
  172   2HH2  ARG  19          2HH2      ARG  19   2.279  19.231   1.065
  173    H    GLU  20           H        GLU  20   5.076  12.771   0.155
  174    HA   GLU  20           HA       GLU  20   6.604  15.084   0.539
  175   1HB   GLU  20          1HB       GLU  20   6.536  12.580   2.228
  176   2HB   GLU  20          2HB       GLU  20   7.168  14.138   2.740
  177   1HG   GLU  20          1HG       GLU  20   4.948  15.113   2.527
  178   2HG   GLU  20          2HG       GLU  20   4.312  13.554   2.000
  179    H    HIS  21           H        HIS  21   7.687  11.685   0.486
  180    HA   HIS  21           HA       HIS  21  10.443  12.553   0.712
  181   1HB   HIS  21          1HB       HIS  21   9.271   9.774   0.477
  182   2HB   HIS  21          2HB       HIS  21  10.958  10.140   0.823
  183    HD1  HIS  21           HD1      HIS  21  11.518  11.031   3.200
  184    HD2  HIS  21           HD2      HIS  21   7.502  10.138   2.615
  185    HE1  HIS  21           HE1      HIS  21  10.491  10.995   5.492
  186    HE2  HIS  21           HE2      HIS  21   8.016  10.765   5.069
  187    H    GLN  22           H        GLN  22   8.595  12.774  -1.777
  188    HA   GLN  22           HA       GLN  22   8.776  12.773  -4.028
  189   1HB   GLN  22          1HB       GLN  22  11.739  12.797  -3.449
  190   2HB   GLN  22          2HB       GLN  22  10.981  13.246  -4.971
  191   1HG   GLN  22          1HG       GLN  22   9.747  15.032  -3.690
  192   2HG   GLN  22          2HG       GLN  22  10.810  14.667  -2.331
  193   1HE2  GLN  22          1HE2      GLN  22  10.569  17.132  -3.818
  194   2HE2  GLN  22          2HE2      GLN  22  12.130  17.455  -4.492
  195    H    HIS  23           H        HIS  23   7.976  10.488  -3.622
  196    HA   HIS  23           HA       HIS  23   9.637   8.741  -5.305
  197   1HB   HIS  23          1HB       HIS  23   8.276   8.069  -2.717
  198   2HB   HIS  23          2HB       HIS  23   8.466   6.828  -3.949
  199    HD1  HIS  23           HD1      HIS  23  10.858   6.015  -4.472
  200    HD2  HIS  23           HD2      HIS  23  10.640   8.806  -1.392
  201    HE1  HIS  23           HE1      HIS  23  13.096   5.937  -3.317
  202    HE2  HIS  23           HE2      HIS  23  12.997   7.739  -1.560
  203    H    TRP  24           H        TRP  24   7.526  10.605  -5.871
  204    HA   TRP  24           HA       TRP  24   5.369   8.822  -6.761
  205   1HB   TRP  24          1HB       TRP  24   4.706  10.762  -5.350
  206   2HB   TRP  24          2HB       TRP  24   5.389  11.845  -6.557
  207    HD1  TRP  24           HD1      TRP  24   3.764  12.660  -8.379
  208    HE1  TRP  24           HE1      TRP  24   1.406  11.988  -9.168
  209    HE3  TRP  24           HE3      TRP  24   3.136   8.460  -5.536
  210    HZ2  TRP  24           HZ2      TRP  24  -0.464   9.937  -8.649
  211    HZ3  TRP  24           HZ3      TRP  24   1.034   7.200  -5.744
  212    HH2  TRP  24           HH2      TRP  24  -0.728   7.926  -7.268
  213    H    ARG  25           H        ARG  25   5.375   8.265  -8.829
  214    HA   ARG  25           HA       ARG  25   6.631  10.063 -10.797
  215   1HB   ARG  25          1HB       ARG  25   6.854   7.046 -10.714
  216   2HB   ARG  25          2HB       ARG  25   7.486   8.079 -11.983
  217   1HG   ARG  25          1HG       ARG  25   9.044   9.085 -10.392
  218   2HG   ARG  25          2HG       ARG  25   8.402   8.046  -9.114
  219   1HD   ARG  25          1HD       ARG  25   9.089   6.065 -10.368
  220   2HD   ARG  25          2HD       ARG  25   9.706   7.089 -11.662
  221    HE   ARG  25           HE       ARG  25  10.822   7.035  -8.924
  222   1HH1  ARG  25          1HH1      ARG  25  11.183   7.222 -12.405
  223   2HH1  ARG  25          2HH1      ARG  25  12.908   7.403 -12.349
  224   1HH2  ARG  25          1HH2      ARG  25  13.114   7.250  -8.843
  225   2HH2  ARG  25          2HH2      ARG  25  14.004   7.447 -10.328
  226    H    ASN  26           H        ASN  26   6.067   9.086 -13.093
  227    HA   ASN  26           HA       ASN  26   3.485   7.706 -13.102
  228   1HB   ASN  26          1HB       ASN  26   2.929  10.057 -13.522
  229   2HB   ASN  26          2HB       ASN  26   4.121  10.124 -14.816
  230   1HD2  ASN  26          1HD2      ASN  26   3.637   9.250 -16.801
  231   2HD2  ASN  26          2HD2      ASN  26   2.052   8.693 -17.222
  232    H    ASP  27           H        ASP  27   4.234   5.794 -13.822
  233    HA   ASP  27           HA       ASP  27   6.191   5.828 -16.005
  234   1HB   ASP  27          1HB       ASP  27   6.427   4.518 -13.700
  235   2HB   ASP  27          2HB       ASP  27   5.501   3.302 -14.574
  236    H    GLU  28           H        GLU  28   5.852   3.370 -17.099
  237    HA   GLU  28           HA       GLU  28   3.298   3.788 -18.497
  238   1HB   GLU  28          1HB       GLU  28   5.767   2.317 -19.439
  239   2HB   GLU  28          2HB       GLU  28   4.348   2.704 -20.402
  240   1HG   GLU  28          1HG       GLU  28   4.834   5.081 -20.183
  241   2HG   GLU  28          2HG       GLU  28   6.241   4.705 -19.192
  242    HA   PRO  29           HA       PRO  29   1.962  -0.295 -17.269
  243   1HB   PRO  29          1HB       PRO  29   0.494  -0.576 -19.768
  244   2HB   PRO  29          2HB       PRO  29  -0.135  -0.341 -18.136
  245   1HG   PRO  29          1HG       PRO  29  -0.302   1.557 -20.073
  246   2HG   PRO  29          2HG       PRO  29  -0.194   1.942 -18.346
  247   1HD   PRO  29          1HD       PRO  29   1.951   1.988 -20.435
  248   2HD   PRO  29          2HD       PRO  29   1.635   3.138 -19.118
  249    H    GLN  30           H        GLN  30   4.351  -0.729 -17.838
  250    HA   GLN  30           HA       GLN  30   5.158  -1.755 -20.303
  251   1HB   GLN  30          1HB       GLN  30   6.232  -2.528 -17.585
  252   2HB   GLN  30          2HB       GLN  30   7.075  -2.665 -19.121
  253   1HG   GLN  30          1HG       GLN  30   7.093  -0.236 -19.341
  254   2HG   GLN  30          2HG       GLN  30   6.218  -0.087 -17.817
  255   1HE2  GLN  30          1HE2      GLN  30   7.825   1.080 -16.790
  256   2HE2  GLN  30          2HE2      GLN  30   9.338   0.369 -16.330
  257    HA   PRO  31           HA       PRO  31   2.598  -5.440 -20.399
  258   1HB   PRO  31          1HB       PRO  31   4.564  -6.017 -22.567
  259   2HB   PRO  31          2HB       PRO  31   2.802  -6.157 -22.573
  260   1HG   PRO  31          1HG       PRO  31   3.989  -4.105 -23.775
  261   2HG   PRO  31          2HG       PRO  31   2.487  -3.877 -22.859
  262   1HD   PRO  31          1HD       PRO  31   5.286  -3.161 -22.120
  263   2HD   PRO  31          2HD       PRO  31   3.767  -2.322 -21.745
  264    H    HIS  32           H        HIS  32   6.181  -5.608 -20.619
  265    HA   HIS  32           HA       HIS  32   6.232  -8.360 -19.883
  266   1HB   HIS  32          1HB       HIS  32   8.644  -8.157 -19.673
  267   2HB   HIS  32          2HB       HIS  32   8.093  -7.377 -21.143
  268    HD1  HIS  32           HD1      HIS  32   9.478  -5.394 -21.585
  269    HD2  HIS  32           HD2      HIS  32   8.796  -5.891 -17.511
  270    HE1  HIS  32           HE1      HIS  32  10.686  -3.498 -20.455
  271    HE2  HIS  32           HE2      HIS  32  10.425  -3.934 -17.986
  272    H    GLN  33           H        GLN  33   5.937  -5.477 -18.058
  273    HA   GLN  33           HA       GLN  33   7.011  -6.489 -15.611
  274   1HB   GLN  33          1HB       GLN  33   6.969  -4.137 -15.804
  275   2HB   GLN  33          2HB       GLN  33   5.288  -4.128 -16.316
  276   1HG   GLN  33          1HG       GLN  33   4.588  -4.799 -14.088
  277   2HG   GLN  33          2HG       GLN  33   6.270  -4.852 -13.566
  278   1HE2  GLN  33          1HE2      GLN  33   7.128  -2.515 -14.939
  279   2HE2  GLN  33          2HE2      GLN  33   6.416  -1.160 -14.130
  280    H    PHE  34           H        PHE  34   3.664  -5.851 -16.681
  281    HA   PHE  34           HA       PHE  34   2.526  -7.085 -14.397
  282   1HB   PHE  34          1HB       PHE  34   1.249  -6.462 -17.065
  283   2HB   PHE  34          2HB       PHE  34   0.387  -6.859 -15.583
  284    HD1  PHE  34           HD2      PHE  34   0.641  -5.318 -13.595
  285    HD2  PHE  34           HD1      PHE  34   1.904  -4.262 -17.522
  286    HE1  PHE  34           HE2      PHE  34   0.652  -2.945 -12.946
  287    HE2  PHE  34           HE1      PHE  34   1.921  -1.887 -16.875
  288    HZ   PHE  34           HZ       PHE  34   1.294  -1.225 -14.589
  289    H    ASN  35           H        ASN  35   3.797  -8.344 -17.305
  290    HA   ASN  35           HA       ASN  35   2.282 -10.813 -17.160
  291   1HB   ASN  35          1HB       ASN  35   2.913  -9.880 -19.355
  292   2HB   ASN  35          2HB       ASN  35   4.614 -10.047 -18.941
  293   1HD2  ASN  35          1HD2      ASN  35   5.608 -11.943 -19.274
  294   2HD2  ASN  35          2HD2      ASN  35   4.820 -13.372 -19.855
  295    H    SER  36           H        SER  36   4.971  -9.534 -15.602
  296    HA   SER  36           HA       SER  36   6.387 -11.953 -15.118
  297   1HB   SER  36          1HB       SER  36   6.144  -9.533 -13.307
  298   2HB   SER  36          2HB       SER  36   7.387 -10.782 -13.225
  299    HG   SER  36           HG       SER  36   7.210  -9.681 -15.709
  300    H    THR  37           H        THR  37   3.641 -10.332 -13.664
  301    HA   THR  37           HA       THR  37   1.850 -11.119 -12.539
  302    HB   THR  37           HB       THR  37   3.026 -13.835 -13.154
  303    HG1  THR  37           HG1      THR  37   2.015 -13.664 -15.039
  304   1HG2  THR  37          1HG2      THR  37   1.359 -13.970 -11.350
  305   2HG2  THR  37          2HG2      THR  37   0.752 -14.693 -12.841
  306   3HG2  THR  37          3HG2      THR  37   0.207 -13.087 -12.352
  307    H    GLN  38           H        GLN  38   4.983 -11.532 -11.463
  308    HA   GLN  38           HA       GLN  38   4.705 -12.677  -8.931
  309   1HB   GLN  38          1HB       GLN  38   6.456 -10.389  -9.853
  310   2HB   GLN  38          2HB       GLN  38   6.615 -11.176  -8.290
  311   1HG   GLN  38          1HG       GLN  38   7.266 -13.224  -9.302
  312   2HG   GLN  38          2HG       GLN  38   6.874 -12.620 -10.912
  313   1HE2  GLN  38          1HE2      GLN  38   9.410 -13.646  -9.829
  314   2HE2  GLN  38          2HE2      GLN  38  10.562 -12.383 -10.084
  315    HA   PRO  39           HA       PRO  39   1.953 -10.098  -6.656
  316   1HB   PRO  39          1HB       PRO  39   4.035 -10.190  -4.521
  317   2HB   PRO  39          2HB       PRO  39   2.305 -10.534  -4.418
  318   1HG   PRO  39          1HG       PRO  39   4.074 -12.517  -4.454
  319   2HG   PRO  39          2HG       PRO  39   2.537 -12.657  -5.325
  320   1HD   PRO  39          1HD       PRO  39   5.280 -12.172  -6.383
  321   2HD   PRO  39          2HD       PRO  39   3.929 -13.068  -7.109
  322    H    PHE  40           H        PHE  40   5.380  -9.253  -6.476
  323    HA   PHE  40           HA       PHE  40   4.625  -6.408  -6.348
  324   1HB   PHE  40          1HB       PHE  40   7.353  -7.475  -5.652
  325   2HB   PHE  40          2HB       PHE  40   6.627  -5.942  -5.193
  326    HD1  PHE  40           HD2      PHE  40   4.822  -5.914  -3.466
  327    HD2  PHE  40           HD1      PHE  40   7.090  -9.399  -4.344
  328    HE1  PHE  40           HE2      PHE  40   4.132  -6.908  -1.325
  329    HE2  PHE  40           HE1      PHE  40   6.404 -10.398  -2.209
  330    HZ   PHE  40           HZ       PHE  40   4.925  -9.152  -0.697
  331    H    PHE  41           H        PHE  41   5.329  -8.543  -8.604
  332    HA   PHE  41           HA       PHE  41   6.533  -8.692 -10.545
  333   1HB   PHE  41          1HB       PHE  41   6.247  -5.680 -10.443
  334   2HB   PHE  41          2HB       PHE  41   6.590  -6.635 -11.880
  335    HD1  PHE  41           HD1      PHE  41   4.793  -8.655 -12.174
  336    HD2  PHE  41           HD2      PHE  41   4.097  -4.932 -10.239
  337    HE1  PHE  41           HE1      PHE  41   2.383  -8.891 -12.598
  338    HE2  PHE  41           HE2      PHE  41   1.685  -5.164 -10.656
  339    HZ   PHE  41           HZ       PHE  41   0.825  -7.141 -11.834
  340    H    MET  42           H        MET  42   8.137  -8.871  -8.368
  341    HA   MET  42           HA       MET  42  10.021  -6.931  -7.831
  342   1HB   MET  42          1HB       MET  42  10.135  -9.920  -7.469
  343   2HB   MET  42          2HB       MET  42  11.319  -8.810  -6.789
  344   1HG   MET  42          1HG       MET  42   9.636  -7.741  -5.459
  345   2HG   MET  42          2HG       MET  42   8.371  -8.689  -6.237
  346   1HE   MET  42          1HE       MET  42   7.486 -10.882  -5.315
  347   2HE   MET  42          2HE       MET  42   8.554 -12.119  -4.651
  348   3HE   MET  42          3HE       MET  42   8.820 -11.508  -6.286
  349    H    ASP  43           H        ASP  43  10.073  -9.272 -10.417
  350    HA   ASP  43           HA       ASP  43  12.900  -9.037 -10.878
  351   1HB   ASP  43          1HB       ASP  43  11.536 -11.038 -11.549
  352   2HB   ASP  43          2HB       ASP  43  10.801 -10.046 -12.806
  353    H    THR  44           H        THR  44   9.993  -7.801 -12.489
  354    HA   THR  44           HA       THR  44  11.607  -6.323 -14.382
  355    HB   THR  44           HB       THR  44   9.233  -5.623 -15.181
  356    HG1  THR  44           HG1      THR  44   8.139  -7.917 -14.269
  357   1HG2  THR  44          1HG2      THR  44  10.696  -7.177 -16.374
  358   2HG2  THR  44          2HG2      THR  44   9.020  -7.729 -16.423
  359   3HG2  THR  44          3HG2      THR  44  10.169  -8.492 -15.322
  360    H    MET  45           H        MET  45   9.908  -5.716 -11.441
  361    HA   MET  45           HA       MET  45  10.723  -2.909 -11.644
  362   1HB   MET  45          1HB       MET  45   8.264  -3.127 -12.151
  363   2HB   MET  45          2HB       MET  45   8.045  -3.755 -10.523
  364   1HG   MET  45          1HG       MET  45   8.789  -1.683  -9.565
  365   2HG   MET  45          2HG       MET  45   9.203  -1.051 -11.158
  366   1HE   MET  45          1HE       MET  45   6.183   1.216 -10.319
  367   2HE   MET  45          2HE       MET  45   7.828   1.141 -10.950
  368   3HE   MET  45          3HE       MET  45   7.507   0.699  -9.274
  369    H    GLU  46           H        GLU  46  11.494  -2.054  -9.755
  370    HA   GLU  46           HA       GLU  46  12.247  -3.969  -7.740
  371   1HB   GLU  46          1HB       GLU  46  12.705  -0.976  -7.800
  372   2HB   GLU  46          2HB       GLU  46  13.480  -2.116  -6.713
  373   1HG   GLU  46          1HG       GLU  46  15.102  -1.718  -8.305
  374   2HG   GLU  46          2HG       GLU  46  14.372  -3.226  -8.853
  375    HA   PRO  47           HA       PRO  47   9.135  -3.207  -4.627
  376   1HB   PRO  47          1HB       PRO  47  11.374  -2.605  -2.760
  377   2HB   PRO  47          2HB       PRO  47  10.044  -3.756  -2.589
  378   1HG   PRO  47          1HG       PRO  47  12.502  -4.606  -3.153
  379   2HG   PRO  47          2HG       PRO  47  11.082  -5.361  -3.899
  380   1HD   PRO  47          1HD       PRO  47  13.041  -3.434  -5.069
  381   2HD   PRO  47          2HD       PRO  47  12.224  -4.815  -5.828
  382    H    LEU  48           H        LEU  48  11.785  -0.972  -5.067
  383    HA   LEU  48           HA       LEU  48  10.477   1.263  -3.825
  384   1HB   LEU  48          1HB       LEU  48  12.829   1.118  -5.721
  385   2HB   LEU  48          2HB       LEU  48  12.274   2.588  -4.944
  386    HG   LEU  48           HG       LEU  48  13.310   0.161  -3.476
  387   1HD1  LEU  48          1HD1      LEU  48  15.068   1.233  -4.787
  388   2HD1  LEU  48          2HD1      LEU  48  15.301   1.510  -3.061
  389   3HD1  LEU  48          3HD1      LEU  48  14.652   2.793  -4.080
  390   1HD2  LEU  48          1HD2      LEU  48  12.667   2.947  -2.520
  391   2HD2  LEU  48          2HD2      LEU  48  13.348   1.644  -1.545
  392   3HD2  LEU  48          3HD2      LEU  48  11.714   1.500  -2.194
  393    H    GLU  49           H        GLU  49   9.309   2.820  -4.758
  394    HA   GLU  49           HA       GLU  49   8.041   3.967  -6.219
  395   1HB   GLU  49          1HB       GLU  49   9.428   2.497  -8.462
  396   2HB   GLU  49          2HB       GLU  49   8.521   3.996  -8.580
  397   1HG   GLU  49          1HG       GLU  49  11.178   3.554  -7.246
  398   2HG   GLU  49          2HG       GLU  49  10.835   4.531  -8.673
  399    H    TRP  50           H        TRP  50   8.191   0.514  -6.379
  400    HA   TRP  50           HA       TRP  50   5.929  -0.010  -7.946
  401   1HB   TRP  50          1HB       TRP  50   7.516  -1.763  -7.256
  402   2HB   TRP  50          2HB       TRP  50   6.983  -1.589  -5.585
  403    HD1  TRP  50           HD1      TRP  50   5.720  -2.826  -9.000
  404    HE1  TRP  50           HE1      TRP  50   3.772  -4.456  -8.602
  405    HE3  TRP  50           HE3      TRP  50   5.238  -2.299  -3.939
  406    HZ2  TRP  50           HZ2      TRP  50   2.226  -5.392  -6.429
  407    HZ3  TRP  50           HZ3      TRP  50   3.501  -3.595  -2.776
  408    HH2  TRP  50           HH2      TRP  50   2.025  -5.107  -3.996
  409    H    LEU  51           H        LEU  51   6.266   1.145  -4.716
  410    HA   LEU  51           HA       LEU  51   3.839   0.575  -3.543
  411   1HB   LEU  51          1HB       LEU  51   5.587   3.023  -3.374
  412   2HB   LEU  51          2HB       LEU  51   4.155   2.822  -2.378
  413    HG   LEU  51           HG       LEU  51   6.541   0.971  -2.380
  414   1HD1  LEU  51          1HD1      LEU  51   5.672   3.061  -0.389
  415   2HD1  LEU  51          2HD1      LEU  51   7.090   3.143  -1.436
  416   3HD1  LEU  51          3HD1      LEU  51   6.998   1.917  -0.170
  417   1HD2  LEU  51          1HD2      LEU  51   4.442  -0.157  -1.825
  418   2HD2  LEU  51          2HD2      LEU  51   4.109   1.064  -0.596
  419   3HD2  LEU  51          3HD2      LEU  51   5.491  -0.017  -0.415
  420    H    GLN  52           H        GLN  52   4.566   2.889  -6.058
  421    HA   GLN  52           HA       GLN  52   1.710   3.571  -6.163
  422   1HB   GLN  52          1HB       GLN  52   2.438   5.666  -7.346
  423   2HB   GLN  52          2HB       GLN  52   2.881   5.573  -5.651
  424   1HG   GLN  52          1HG       GLN  52   4.804   6.392  -6.549
  425   2HG   GLN  52          2HG       GLN  52   5.143   4.664  -6.601
  426   1HE2  GLN  52          1HE2      GLN  52   5.316   3.641  -8.572
  427   2HE2  GLN  52          2HE2      GLN  52   5.326   4.498 -10.076
  428    H    TRP  53           H        TRP  53   1.061   4.248  -8.461
  429    HA   TRP  53           HA       TRP  53   0.749   3.764 -10.644
  430   1HB   TRP  53          1HB       TRP  53   3.124   4.182 -11.024
  431   2HB   TRP  53          2HB       TRP  53   3.512   2.534 -10.541
  432    HD1  TRP  53           HD1      TRP  53   4.180   1.237 -12.640
  433    HE1  TRP  53           HE1      TRP  53   3.273   1.003 -15.039
  434    HE3  TRP  53           HE3      TRP  53   0.382   4.654 -12.405
  435    HZ2  TRP  53           HZ2      TRP  53   1.206   2.114 -16.612
  436    HZ3  TRP  53           HZ3      TRP  53  -1.012   5.006 -14.401
  437    HH2  TRP  53           HH2      TRP  53  -0.606   3.761 -16.461
  438    H    VAL  54           H        VAL  54   2.252   1.005  -8.946
  439    HA   VAL  54           HA       VAL  54   0.264  -0.715 -10.240
  440    HB   VAL  54           HB       VAL  54   2.635  -1.542  -8.561
  441   1HG1  VAL  54          1HG1      VAL  54   0.811  -3.156  -8.479
  442   2HG1  VAL  54          2HG1      VAL  54   2.155  -3.790  -9.430
  443   3HG1  VAL  54          3HG1      VAL  54   0.719  -3.161 -10.241
  444   1HG2  VAL  54          1HG2      VAL  54   3.615  -2.267 -10.696
  445   2HG2  VAL  54          2HG2      VAL  54   3.340  -0.525 -10.658
  446   3HG2  VAL  54          3HG2      VAL  54   2.237  -1.574 -11.552
  447    H    LEU  55           H        LEU  55   1.694  -0.568  -6.955
  448    HA   LEU  55           HA       LEU  55  -0.221  -2.168  -5.766
  449   1HB   LEU  55          1HB       LEU  55   1.923  -1.583  -4.733
  450   2HB   LEU  55          2HB       LEU  55   1.351   0.052  -4.466
  451    HG   LEU  55           HG       LEU  55  -0.413  -0.842  -2.966
  452   1HD1  LEU  55          1HD1      LEU  55  -0.599  -3.081  -3.901
  453   2HD1  LEU  55          2HD1      LEU  55  -0.262  -3.137  -2.171
  454   3HD1  LEU  55          3HD1      LEU  55   1.026  -3.459  -3.331
  455   1HD2  LEU  55          1HD2      LEU  55   2.419  -1.579  -2.249
  456   2HD2  LEU  55          2HD2      LEU  55   1.088  -1.389  -1.106
  457   3HD2  LEU  55          3HD2      LEU  55   1.658  -0.001  -2.034
  458    H    ILE  56           H        ILE  56  -0.120   1.405  -5.499
  459    HA   ILE  56           HA       ILE  56  -2.469   1.624  -4.042
  460    HB   ILE  56           HB       ILE  56  -1.187   3.654  -5.864
  461   1HG1  ILE  56          1HG1      ILE  56  -1.198   3.370  -2.855
  462   2HG1  ILE  56          2HG1      ILE  56   0.128   2.895  -3.910
  463   1HG2  ILE  56          1HG2      ILE  56  -3.417   4.054  -3.881
  464   2HG2  ILE  56          2HG2      ILE  56  -3.536   4.213  -5.634
  465   3HG2  ILE  56          3HG2      ILE  56  -2.541   5.341  -4.711
  466   1HD1  ILE  56          1HD1      ILE  56   0.403   5.220  -4.606
  467   2HD1  ILE  56          2HD1      ILE  56   0.566   5.034  -2.858
  468   3HD1  ILE  56          3HD1      ILE  56  -0.922   5.690  -3.543
  469    HA   PRO  57           HA       PRO  57  -5.046   2.442  -8.066
  470   1HB   PRO  57          1HB       PRO  57  -3.393   1.265 -10.211
  471   2HB   PRO  57          2HB       PRO  57  -4.301   2.781 -10.190
  472   1HG   PRO  57          1HG       PRO  57  -1.638   2.783 -10.071
  473   2HG   PRO  57          2HG       PRO  57  -2.596   3.938  -9.122
  474   1HD   PRO  57          1HD       PRO  57  -1.296   1.379  -8.236
  475   2HD   PRO  57          2HD       PRO  57  -1.307   2.966  -7.445
  476    H    ARG  58           H        ARG  58  -2.970  -0.433  -8.009
  477    HA   ARG  58           HA       ARG  58  -4.844  -2.223  -9.147
  478   1HB   ARG  58          1HB       ARG  58  -2.403  -2.681  -8.901
  479   2HB   ARG  58          2HB       ARG  58  -2.649  -2.872  -7.172
  480   1HG   ARG  58          1HG       ARG  58  -4.146  -4.762  -7.600
  481   2HG   ARG  58          2HG       ARG  58  -3.872  -4.575  -9.334
  482   1HD   ARG  58          1HD       ARG  58  -1.445  -4.913  -8.920
  483   2HD   ARG  58          2HD       ARG  58  -1.824  -5.259  -7.233
  484    HE   ARG  58           HE       ARG  58  -3.296  -6.900  -9.073
  485   1HH1  ARG  58          1HH1      ARG  58  -0.256  -6.548  -7.360
  486   2HH1  ARG  58          2HH1      ARG  58   0.139  -8.232  -7.449
  487   1HH2  ARG  58          1HH2      ARG  58  -2.762  -9.133  -9.200
  488   2HH2  ARG  58          2HH2      ARG  58  -1.259  -9.692  -8.513
  489    H    MET  59           H        MET  59  -4.167  -1.234  -5.828
  490    HA   MET  59           HA       MET  59  -6.121  -2.991  -4.706
  491   1HB   MET  59          1HB       MET  59  -4.325  -0.866  -3.686
  492   2HB   MET  59          2HB       MET  59  -5.765  -1.213  -2.734
  493   1HG   MET  59          1HG       MET  59  -3.732  -2.483  -2.060
  494   2HG   MET  59          2HG       MET  59  -5.132  -3.481  -2.445
  495   1HE   MET  59          1HE       MET  59  -2.419  -5.883  -3.727
  496   2HE   MET  59          2HE       MET  59  -3.928  -5.708  -2.834
  497   3HE   MET  59          3HE       MET  59  -2.454  -4.949  -2.234
  498    H    HIS  60           H        HIS  60  -6.133   0.338  -5.848
  499    HA   HIS  60           HA       HIS  60  -8.660   1.101  -4.930
  500   1HB   HIS  60          1HB       HIS  60  -7.031   1.844  -7.321
  501   2HB   HIS  60          2HB       HIS  60  -8.725   2.314  -7.293
  502    HD1  HIS  60           HD1      HIS  60  -9.442   3.868  -5.216
  503    HD2  HIS  60           HD2      HIS  60  -5.365   3.476  -5.921
  504    HE1  HIS  60           HE1      HIS  60  -8.353   5.787  -4.003
  505    HE2  HIS  60           HE2      HIS  60  -5.926   5.679  -4.685
  506    H    ASP  61           H        ASP  61  -7.721  -0.771  -7.771
  507    HA   ASP  61           HA       ASP  61 -10.217  -1.263  -8.891
  508   1HB   ASP  61          1HB       ASP  61  -8.363  -1.960 -10.147
  509   2HB   ASP  61          2HB       ASP  61  -7.643  -2.815  -8.790
  510    H    LEU  62           H        LEU  62  -8.472  -3.217  -6.493
  511    HA   LEU  62           HA       LEU  62 -10.410  -5.177  -6.077
  512   1HB   LEU  62          1HB       LEU  62  -8.092  -5.332  -5.301
  513   2HB   LEU  62          2HB       LEU  62  -8.379  -4.043  -4.150
  514    HG   LEU  62           HG       LEU  62 -10.079  -5.562  -3.045
  515   1HD1  LEU  62          1HD1      LEU  62 -10.420  -7.097  -4.915
  516   2HD1  LEU  62          2HD1      LEU  62  -9.870  -7.956  -3.475
  517   3HD1  LEU  62          3HD1      LEU  62  -8.743  -7.628  -4.789
  518   1HD2  LEU  62          1HD2      LEU  62  -7.843  -5.161  -2.140
  519   2HD2  LEU  62          2HD2      LEU  62  -7.208  -6.478  -3.127
  520   3HD2  LEU  62          3HD2      LEU  62  -8.372  -6.819  -1.846
  521    H    LEU  63           H        LEU  63  -9.907  -2.087  -4.434
  522    HA   LEU  63           HA       LEU  63 -11.963  -2.421  -2.508
  523   1HB   LEU  63          1HB       LEU  63 -10.723   0.125  -3.548
  524   2HB   LEU  63          2HB       LEU  63 -11.650  -0.037  -2.068
  525    HG   LEU  63           HG       LEU  63  -9.019  -1.421  -2.590
  526   1HD1  LEU  63          1HD1      LEU  63  -9.628   1.055  -0.987
  527   2HD1  LEU  63          2HD1      LEU  63  -8.705   0.980  -2.489
  528   3HD1  LEU  63          3HD1      LEU  63  -8.079   0.213  -1.028
  529   1HD2  LEU  63          1HD2      LEU  63 -10.453  -2.595  -1.006
  530   2HD2  LEU  63          2HD2      LEU  63 -10.650  -1.113  -0.074
  531   3HD2  LEU  63          3HD2      LEU  63  -9.065  -1.876  -0.192
  532    H    ASP  64           H        ASP  64 -11.836  -0.813  -5.658
  533    HA   ASP  64           HA       ASP  64 -14.410   0.368  -5.492
  534   1HB   ASP  64          1HB       ASP  64 -12.724   1.216  -7.039
  535   2HB   ASP  64          2HB       ASP  64 -12.727  -0.312  -7.913
  536    H    ASN  65           H        ASN  65 -13.228  -2.671  -6.862
  537    HA   ASN  65           HA       ASN  65 -15.761  -3.499  -7.875
  538   1HB   ASN  65          1HB       ASN  65 -13.320  -5.130  -7.135
  539   2HB   ASN  65          2HB       ASN  65 -14.728  -5.770  -7.972
  540   1HD2  ASN  65          1HD2      ASN  65 -11.979  -5.673  -8.846
  541   2HD2  ASN  65          2HD2      ASN  65 -11.957  -4.750 -10.311
  542    H    LYS  66           H        LYS  66 -14.442  -3.287  -4.772
  543    HA   LYS  66           HA       LYS  66 -15.320  -3.627  -2.712
  544   1HB   LYS  66          1HB       LYS  66 -17.852  -4.363  -4.192
  545   2HB   LYS  66          2HB       LYS  66 -17.731  -3.929  -2.491
  546   1HG   LYS  66          1HG       LYS  66 -17.078  -1.689  -3.052
  547   2HG   LYS  66          2HG       LYS  66 -16.996  -2.100  -4.766
  548   1HD   LYS  66          1HD       LYS  66 -19.438  -2.651  -4.652
  549   2HD   LYS  66          2HD       LYS  66 -19.446  -1.985  -3.016
  550   1HE   LYS  66          1HE       LYS  66 -20.189  -0.292  -4.557
  551   2HE   LYS  66          2HE       LYS  66 -18.601   0.155  -3.931
  552   1HZ   LYS  66          1HZ       LYS  66 -18.644   0.537  -6.275
  553   2HZ   LYS  66          2HZ       LYS  66 -19.200  -1.031  -6.588
  554   3HZ   LYS  66          3HZ       LYS  66 -17.632  -0.792  -5.989
  555    H    GLN  67           H        GLN  67 -13.973  -5.758  -4.112
  556    HA   GLN  67           HA       GLN  67 -15.333  -8.201  -3.387
  557   1HB   GLN  67          1HB       GLN  67 -12.420  -8.057  -4.089
  558   2HB   GLN  67          2HB       GLN  67 -13.573  -9.334  -4.430
  559   1HG   GLN  67          1HG       GLN  67 -13.775  -6.652  -5.748
  560   2HG   GLN  67          2HG       GLN  67 -12.703  -7.900  -6.367
  561   1HE2  GLN  67          1HE2      GLN  67 -15.903  -8.481  -4.979
  562   2HE2  GLN  67          2HE2      GLN  67 -16.627  -9.028  -6.440
  563    HA   PRO  68           HA       PRO  68 -13.804  -8.678   0.758
  564   1HB   PRO  68          1HB       PRO  68 -13.191 -11.480  -0.013
  565   2HB   PRO  68          2HB       PRO  68 -14.191 -10.873   1.312
  566   1HG   PRO  68          1HG       PRO  68 -15.308 -11.960  -0.847
  567   2HG   PRO  68          2HG       PRO  68 -16.036 -10.549  -0.056
  568   1HD   PRO  68          1HD       PRO  68 -14.412 -10.686  -2.566
  569   2HD   PRO  68          2HD       PRO  68 -15.844  -9.701  -2.203
  570    H    LEU  69           H        LEU  69 -11.840  -8.506   1.751
  571    HA   LEU  69           HA       LEU  69  -9.609  -8.090   0.043
  572   1HB   LEU  69          1HB       LEU  69  -9.770  -8.206   3.055
  573   2HB   LEU  69          2HB       LEU  69  -8.353  -7.696   2.154
  574    HG   LEU  69           HG       LEU  69 -11.034  -6.309   2.249
  575   1HD1  LEU  69          1HD1      LEU  69  -9.784  -4.491   3.265
  576   2HD1  LEU  69          2HD1      LEU  69  -8.299  -5.439   3.172
  577   3HD1  LEU  69          3HD1      LEU  69  -9.621  -5.969   4.214
  578   1HD2  LEU  69          1HD2      LEU  69 -10.102  -6.182  -0.007
  579   2HD2  LEU  69          2HD2      LEU  69  -8.580  -5.581   0.652
  580   3HD2  LEU  69          3HD2      LEU  69 -10.048  -4.615   0.798
  581    HA   PRO  70           HA       PRO  70  -7.701 -11.973  -0.452
  582   1HB   PRO  70          1HB       PRO  70  -5.182 -10.638   0.415
  583   2HB   PRO  70          2HB       PRO  70  -5.514 -11.585  -1.039
  584   1HG   PRO  70          1HG       PRO  70  -5.351  -8.930  -1.150
  585   2HG   PRO  70          2HG       PRO  70  -6.540  -9.816  -2.123
  586   1HD   PRO  70          1HD       PRO  70  -6.931  -8.205   0.348
  587   2HD   PRO  70          2HD       PRO  70  -8.014  -8.429  -1.039
  588    H    GLY  71           H        GLY  71  -6.777 -10.199   2.479
  589   1HA   GLY  71          1HA       GLY  71  -6.897 -10.961   4.672
  590   2HA   GLY  71          2HA       GLY  71  -7.299 -12.559   4.064
  591    H    ALA  72           H        ALA  72  -4.952 -12.580   2.288
  592    HA   ALA  72           HA       ALA  72  -2.811 -12.864   4.277
  593   1HB   ALA  72          1HB       ALA  72  -2.040 -14.871   3.132
  594   2HB   ALA  72          2HB       ALA  72  -3.367 -14.739   1.978
  595   3HB   ALA  72          3HB       ALA  72  -3.705 -15.070   3.677
  596    H    PHE  73           H        PHE  73  -2.621 -10.613   3.361
  597    HA   PHE  73           HA       PHE  73  -0.664 -10.683   1.188
  598   1HB   PHE  73          1HB       PHE  73  -2.759  -9.936   0.170
  599   2HB   PHE  73          2HB       PHE  73  -2.950  -8.708   1.415
  600    HD1  PHE  73           HD2      PHE  73  -0.733  -9.758  -1.382
  601    HD2  PHE  73           HD1      PHE  73  -2.058  -6.578   1.121
  602    HE1  PHE  73           HE2      PHE  73   0.490  -8.145  -2.782
  603    HE2  PHE  73           HE1      PHE  73  -0.839  -4.964  -0.276
  604    HZ   PHE  73           HZ       PHE  73   0.438  -5.741  -2.230
  605    H    ALA  74           H        ALA  74   1.033 -10.397   2.543
  606    HA   ALA  74           HA       ALA  74   1.012  -7.991   4.236
  607   1HB   ALA  74          1HB       ALA  74   1.394 -10.087   5.448
  608   2HB   ALA  74          2HB       ALA  74   2.811  -9.041   5.509
  609   3HB   ALA  74          3HB       ALA  74   2.786 -10.428   4.420
  610    H    VAL  75           H        VAL  75   2.501  -6.428   3.933
  611    HA   VAL  75           HA       VAL  75   4.498  -6.862   1.806
  612    HB   VAL  75           HB       VAL  75   4.239  -4.525   1.092
  613   1HG1  VAL  75          1HG1      VAL  75   1.642  -6.050   1.030
  614   2HG1  VAL  75          2HG1      VAL  75   3.006  -6.296  -0.057
  615   3HG1  VAL  75          3HG1      VAL  75   2.127  -4.769  -0.081
  616   1HG2  VAL  75          1HG2      VAL  75   3.396  -3.566   3.175
  617   2HG2  VAL  75          2HG2      VAL  75   1.889  -4.461   2.984
  618   3HG2  VAL  75          3HG2      VAL  75   2.315  -3.198   1.831
  619    H    ALA  76           H        ALA  76   3.710  -5.491   4.903
  620    HA   ALA  76           HA       ALA  76   5.905  -3.745   5.162
  621   1HB   ALA  76          1HB       ALA  76   3.934  -3.611   6.593
  622   2HB   ALA  76          2HB       ALA  76   5.416  -3.730   7.542
  623   3HB   ALA  76          3HB       ALA  76   4.375  -5.140   7.352
  624    HA   PRO  77           HA       PRO  77   8.147  -7.488   7.459
  625   1HB   PRO  77          1HB       PRO  77   7.404  -9.913   6.331
  626   2HB   PRO  77          2HB       PRO  77   6.875  -9.322   7.907
  627   1HG   PRO  77          1HG       PRO  77   5.469  -9.215   5.272
  628   2HG   PRO  77          2HG       PRO  77   4.809  -9.549   6.885
  629   1HD   PRO  77          1HD       PRO  77   4.480  -7.161   5.740
  630   2HD   PRO  77          2HD       PRO  77   4.798  -7.300   7.483
  631    H    TYR  78           H        TYR  78   7.035  -7.642   4.117
  632    HA   TYR  78           HA       TYR  78   9.468  -8.718   3.086
  633   1HB   TYR  78          1HB       TYR  78   7.462  -9.066   1.808
  634   2HB   TYR  78          2HB       TYR  78   7.136  -7.336   1.747
  635    HD1  TYR  78           HD2      TYR  78   9.655  -9.865   0.682
  636    HD2  TYR  78           HD1      TYR  78   7.853  -6.090  -0.088
  637    HE1  TYR  78           HE2      TYR  78  10.924  -9.693  -1.416
  638    HE2  TYR  78           HE1      TYR  78   9.116  -5.908  -2.189
  639    HH   TYR  78           HH       TYR  78  10.767  -8.526  -3.572
  640    H    TYR  79           H        TYR  79   8.055  -5.454   3.189
  641    HA   TYR  79           HA       TYR  79  10.247  -4.215   1.887
  642   1HB   TYR  79          1HB       TYR  79   7.875  -3.251   3.403
  643   2HB   TYR  79          2HB       TYR  79   9.207  -2.128   3.144
  644    HD1  TYR  79           HD1      TYR  79   6.696  -4.239   1.426
  645    HD2  TYR  79           HD2      TYR  79   9.597  -1.155   1.020
  646    HE1  TYR  79           HE1      TYR  79   5.868  -3.763  -0.842
  647    HE2  TYR  79           HE2      TYR  79   8.776  -0.670  -1.242
  648    HH   TYR  79           HH       TYR  79   7.552  -1.656  -3.012
  649    H    GLU  80           H        GLU  80   9.688  -5.145   5.183
  650    HA   GLU  80           HA       GLU  80  11.678  -3.607   6.439
  651   1HB   GLU  80          1HB       GLU  80  10.021  -4.945   7.665
  652   2HB   GLU  80          2HB       GLU  80  10.755  -6.422   7.062
  653   1HG   GLU  80          1HG       GLU  80  12.799  -5.918   8.283
  654   2HG   GLU  80          2HG       GLU  80  12.089  -4.412   8.865
  655    H    MET  81           H        MET  81  11.839  -6.255   4.262
  656    HA   MET  81           HA       MET  81  14.711  -6.633   4.706
  657   1HB   MET  81          1HB       MET  81  12.765  -8.102   2.915
  658   2HB   MET  81          2HB       MET  81  14.471  -8.486   3.074
  659   1HG   MET  81          1HG       MET  81  14.190  -9.158   5.334
  660   2HG   MET  81          2HG       MET  81  12.533  -8.553   5.365
  661   1HE   MET  81          1HE       MET  81  13.781 -12.076   2.657
  662   2HE   MET  81          2HE       MET  81  14.940 -11.152   3.614
  663   3HE   MET  81          3HE       MET  81  14.082 -10.379   2.281
  664    H    ALA  82           H        ALA  82  12.388  -5.906   2.134
  665    HA   ALA  82           HA       ALA  82  14.226  -5.542   0.055
  666   1HB   ALA  82          1HB       ALA  82  12.400  -4.513  -1.160
  667   2HB   ALA  82          2HB       ALA  82  11.492  -4.303   0.337
  668   3HB   ALA  82          3HB       ALA  82  11.822  -5.924  -0.273
  669    H    LEU  83           H        LEU  83  12.793  -3.170   2.294
  670    HA   LEU  83           HA       LEU  83  14.245  -0.987   1.099
  671   1HB   LEU  83          1HB       LEU  83  12.773  -1.135   3.734
  672   2HB   LEU  83          2HB       LEU  83  13.431   0.327   3.026
  673    HG   LEU  83           HG       LEU  83  11.202  -1.343   1.863
  674   1HD1  LEU  83          1HD1      LEU  83  10.505  -0.131   3.846
  675   2HD1  LEU  83          2HD1      LEU  83   9.805   0.600   2.401
  676   3HD1  LEU  83          3HD1      LEU  83  11.182   1.360   3.196
  677   1HD2  LEU  83          1HD2      LEU  83  12.383   1.271   0.937
  678   2HD2  LEU  83          2HD2      LEU  83  10.973   0.469   0.245
  679   3HD2  LEU  83          3HD2      LEU  83  12.562  -0.289   0.135
  680    H    ALA  84           H        ALA  84  16.329  -1.930   1.180
  681    HA   ALA  84           HA       ALA  84  17.639  -2.789   3.491
  682   1HB   ALA  84          1HB       ALA  84  18.851  -1.501   1.045
  683   2HB   ALA  84          2HB       ALA  84  18.457  -3.211   1.215
  684   3HB   ALA  84          3HB       ALA  84  19.701  -2.489   2.235
  685    H    THR  85           H        THR  85  19.397  -1.740   4.622
  686    HA   THR  85           HA       THR  85  18.529   0.763   5.667
  687    HB   THR  85           HB       THR  85  21.202  -0.234   6.427
  688    HG1  THR  85           HG1      THR  85  20.320  -2.091   7.433
  689   1HG2  THR  85          1HG2      THR  85  18.671   0.369   7.965
  690   2HG2  THR  85          2HG2      THR  85  20.001   1.496   7.694
  691   3HG2  THR  85          3HG2      THR  85  20.255   0.052   8.673
  692    H    ASP  86           H        ASP  86  19.681   0.511   2.850
  693    HA   ASP  86           HA       ASP  86  22.015   2.120   2.738
  694   1HB   ASP  86          1HB       ASP  86  21.334   0.701   0.860
  695   2HB   ASP  86          2HB       ASP  86  19.853   1.632   0.674
  696    H    HIS  87           H        HIS  87  18.555   2.770   2.457
  697    HA   HIS  87           HA       HIS  87  19.115   5.616   2.950
  698   1HB   HIS  87          1HB       HIS  87  17.937   5.168   0.806
  699   2HB   HIS  87          2HB       HIS  87  16.637   4.394   1.706
  700    HD1  HIS  87           HD1      HIS  87  18.250   7.795   1.260
  701    HD2  HIS  87           HD2      HIS  87  14.713   6.101   2.659
  702    HE1  HIS  87           HE1      HIS  87  16.691   9.725   1.692
  703    HE2  HIS  87           HE2      HIS  87  14.645   8.691   2.732
  704    HA   PRO  88           HA       PRO  88  17.361   4.597   6.976
  705   1HB   PRO  88          1HB       PRO  88  17.838   7.468   7.443
  706   2HB   PRO  88          2HB       PRO  88  18.467   6.069   8.318
  707   1HG   PRO  88          1HG       PRO  88  20.041   7.549   6.736
  708   2HG   PRO  88          2HG       PRO  88  20.244   5.791   6.866
  709   1HD   PRO  88          1HD       PRO  88  18.910   7.389   4.708
  710   2HD   PRO  88          2HD       PRO  88  20.001   5.993   4.565
  711    H    GLN  89           H        GLN  89  15.773   5.958   8.427
  712    HA   GLN  89           HA       GLN  89  13.668   6.733   8.723
  713   1HB   GLN  89          1HB       GLN  89  14.236   8.145   6.114
  714   2HB   GLN  89          2HB       GLN  89  12.783   8.409   7.071
  715   1HG   GLN  89          1HG       GLN  89  14.059   9.270   8.895
  716   2HG   GLN  89          2HG       GLN  89  15.573   8.828   8.109
  717   1HE2  GLN  89          1HE2      GLN  89  14.614  11.422   9.056
  718   2HE2  GLN  89          2HE2      GLN  89  14.664  12.478   7.673
  719    H    ARG  90           H        ARG  90  14.221   4.230   7.305
  720    HA   ARG  90           HA       ARG  90  12.168   3.929   5.313
  721   1HB   ARG  90          1HB       ARG  90  12.795   1.591   5.262
  722   2HB   ARG  90          2HB       ARG  90  14.249   2.575   5.278
  723   1HG   ARG  90          1HG       ARG  90  14.536   2.127   7.661
  724   2HG   ARG  90          2HG       ARG  90  13.065   1.153   7.655
  725   1HD   ARG  90          1HD       ARG  90  14.129  -0.335   5.969
  726   2HD   ARG  90          2HD       ARG  90  15.617   0.597   6.142
  727    HE   ARG  90           HE       ARG  90  14.935  -0.186   8.695
  728   1HH1  ARG  90          1HH1      ARG  90  15.657  -1.813   5.671
  729   2HH1  ARG  90          2HH1      ARG  90  16.309  -3.228   6.440
  730   1HH2  ARG  90          1HH2      ARG  90  15.782  -2.034   9.709
  731   2HH2  ARG  90          2HH2      ARG  90  16.362  -3.362   8.749
  732    H    ALA  91           H        ALA  91  12.338   3.814   8.718
  733    HA   ALA  91           HA       ALA  91  10.239   1.965   9.219
  734   1HB   ALA  91          1HB       ALA  91  11.927   2.546  10.900
  735   2HB   ALA  91          2HB       ALA  91  10.286   2.796  11.496
  736   3HB   ALA  91          3HB       ALA  91  11.263   4.176  10.992
  737    H    LEU  92           H        LEU  92  10.339   5.379   8.495
  738    HA   LEU  92           HA       LEU  92   7.703   6.051   9.230
  739   1HB   LEU  92          1HB       LEU  92   9.377   7.132   6.954
  740   2HB   LEU  92          2HB       LEU  92   7.915   7.876   7.571
  741    HG   LEU  92           HG       LEU  92  10.460   7.500   9.150
  742   1HD1  LEU  92          1HD1      LEU  92   9.289   9.970   7.880
  743   2HD1  LEU  92          2HD1      LEU  92  10.745   9.122   7.359
  744   3HD1  LEU  92          3HD1      LEU  92  10.704   9.921   8.931
  745   1HD2  LEU  92          1HD2      LEU  92   8.458   7.485  10.547
  746   2HD2  LEU  92          2HD2      LEU  92   7.922   8.993   9.807
  747   3HD2  LEU  92          3HD2      LEU  92   9.389   8.964  10.786
  748    H    ILE  93           H        ILE  93   9.069   4.844   6.205
  749    HA   ILE  93           HA       ILE  93   6.640   4.676   4.779
  750    HB   ILE  93           HB       ILE  93   9.134   3.005   4.396
  751   1HG1  ILE  93          1HG1      ILE  93   8.345   5.635   3.118
  752   2HG1  ILE  93          2HG1      ILE  93   9.585   5.439   4.354
  753   1HG2  ILE  93          1HG2      ILE  93   6.854   3.652   2.524
  754   2HG2  ILE  93          2HG2      ILE  93   7.225   2.076   3.226
  755   3HG2  ILE  93          3HG2      ILE  93   8.335   2.809   2.068
  756   1HD1  ILE  93          1HD1      ILE  93   9.639   4.262   1.585
  757   2HD1  ILE  93          2HD1      ILE  93  10.878   4.040   2.820
  758   3HD1  ILE  93          3HD1      ILE  93  10.574   5.644   2.153
  759    H    LEU  94           H        LEU  94   8.496   2.298   6.643
  760    HA   LEU  94           HA       LEU  94   6.801   0.107   6.296
  761   1HB   LEU  94          1HB       LEU  94   8.572   0.828   8.630
  762   2HB   LEU  94          2HB       LEU  94   7.795  -0.730   8.430
  763    HG   LEU  94           HG       LEU  94   9.831   0.447   6.534
  764   1HD1  LEU  94          1HD1      LEU  94  10.798  -0.170   8.700
  765   2HD1  LEU  94          2HD1      LEU  94  11.343  -1.240   7.409
  766   3HD1  LEU  94          3HD1      LEU  94  10.106  -1.785   8.542
  767   1HD2  LEU  94          1HD2      LEU  94   8.260  -1.013   5.401
  768   2HD2  LEU  94          2HD2      LEU  94   8.515  -2.263   6.618
  769   3HD2  LEU  94          3HD2      LEU  94   9.834  -1.799   5.543
  770    H    ALA  95           H        ALA  95   6.625   2.806   8.539
  771    HA   ALA  95           HA       ALA  95   4.668   1.827  10.278
  772   1HB   ALA  95          1HB       ALA  95   4.212   4.157  10.830
  773   2HB   ALA  95          2HB       ALA  95   5.093   4.680   9.395
  774   3HB   ALA  95          3HB       ALA  95   5.948   3.871  10.707
  775    H    GLU  96           H        GLU  96   4.262   3.870   7.376
  776    HA   GLU  96           HA       GLU  96   1.433   3.720   7.378
  777   1HB   GLU  96          1HB       GLU  96   3.396   4.348   5.173
  778   2HB   GLU  96          2HB       GLU  96   1.653   4.459   4.974
  779   1HG   GLU  96          1HG       GLU  96   3.345   6.046   6.893
  780   2HG   GLU  96          2HG       GLU  96   2.582   6.638   5.419
  781    H    LEU  97           H        LEU  97   3.924   1.654   6.052
  782    HA   LEU  97           HA       LEU  97   2.257   0.091   4.388
  783   1HB   LEU  97          1HB       LEU  97   4.870  -0.569   5.739
  784   2HB   LEU  97          2HB       LEU  97   4.071  -1.629   4.593
  785    HG   LEU  97           HG       LEU  97   5.101   1.143   4.003
  786   1HD1  LEU  97          1HD1      LEU  97   6.887  -0.474   4.309
  787   2HD1  LEU  97          2HD1      LEU  97   6.741  -0.014   2.612
  788   3HD1  LEU  97          3HD1      LEU  97   6.110  -1.567   3.164
  789   1HD2  LEU  97          1HD2      LEU  97   3.110   0.606   2.696
  790   2HD2  LEU  97          2HD2      LEU  97   3.856  -0.904   2.171
  791   3HD2  LEU  97          3HD2      LEU  97   4.552   0.641   1.683
  792    H    GLU  98           H        GLU  98   3.308  -0.326   7.759
  793    HA   GLU  98           HA       GLU  98   2.036  -2.778   8.227
  794   1HB   GLU  98          1HB       GLU  98   2.602  -0.514  10.143
  795   2HB   GLU  98          2HB       GLU  98   2.061  -2.114  10.632
  796   1HG   GLU  98          1HG       GLU  98   4.077  -3.092   9.682
  797   2HG   GLU  98          2HG       GLU  98   4.618  -1.491   9.177
  798    H    LYS  99           H        LYS  99   0.821   0.518   8.358
  799    HA   LYS  99           HA       LYS  99  -1.704   0.073   9.441
  800   1HB   LYS  99          1HB       LYS  99  -0.688   2.003   7.374
  801   2HB   LYS  99          2HB       LYS  99  -2.374   2.000   7.865
  802   1HG   LYS  99          1HG       LYS  99  -1.797   2.571  10.105
  803   2HG   LYS  99          2HG       LYS  99  -0.074   2.354   9.773
  804   1HD   LYS  99          1HD       LYS  99  -0.022   4.242   8.337
  805   2HD   LYS  99          2HD       LYS  99  -1.782   4.345   8.299
  806   1HE   LYS  99          1HE       LYS  99  -0.061   4.809  10.728
  807   2HE   LYS  99          2HE       LYS  99  -0.751   6.075   9.714
  808   1HZ   LYS  99          1HZ       LYS  99  -2.979   5.053  10.257
  809   2HZ   LYS  99          2HZ       LYS  99  -2.191   5.839  11.533
  810   3HZ   LYS  99          3HZ       LYS  99  -2.179   4.148  11.452
  811    H    LEU 100           H        LEU 100  -0.796   0.135   6.000
  812    HA   LEU 100           HA       LEU 100  -3.259  -0.795   5.006
  813   1HB   LEU 100          1HB       LEU 100  -1.486   0.358   3.689
  814   2HB   LEU 100          2HB       LEU 100  -0.513  -1.096   3.784
  815    HG   LEU 100           HG       LEU 100  -2.307  -2.318   2.557
  816   1HD1  LEU 100          1HD1      LEU 100  -3.465   0.439   2.172
  817   2HD1  LEU 100          2HD1      LEU 100  -4.168  -0.843   3.158
  818   3HD1  LEU 100          3HD1      LEU 100  -4.028  -1.049   1.411
  819   1HD2  LEU 100          1HD2      LEU 100  -1.166   0.098   1.158
  820   2HD2  LEU 100          2HD2      LEU 100  -1.782  -1.358   0.375
  821   3HD2  LEU 100          3HD2      LEU 100  -0.346  -1.446   1.395
  822    H    ASP 101           H        ASP 101  -0.308  -2.441   5.946
  823    HA   ASP 101           HA       ASP 101  -0.834  -5.025   5.057
  824   1HB   ASP 101          1HB       ASP 101   1.288  -3.976   6.137
  825   2HB   ASP 101          2HB       ASP 101   0.562  -4.458   7.664
  826    H    ALA 102           H        ALA 102  -1.673  -3.436   8.105
  827    HA   ALA 102           HA       ALA 102  -2.950  -5.712   9.250
  828   1HB   ALA 102          1HB       ALA 102  -3.724  -4.176  10.968
  829   2HB   ALA 102          2HB       ALA 102  -3.231  -2.799   9.978
  830   3HB   ALA 102          3HB       ALA 102  -2.016  -3.911  10.614
  831    H    LEU 103           H        LEU 103  -4.014  -3.107   7.180
  832    HA   LEU 103           HA       LEU 103  -6.785  -3.313   7.643
  833   1HB   LEU 103          1HB       LEU 103  -5.320  -2.445   5.152
  834   2HB   LEU 103          2HB       LEU 103  -7.035  -2.222   5.435
  835    HG   LEU 103           HG       LEU 103  -4.822  -0.972   7.064
  836   1HD1  LEU 103          1HD1      LEU 103  -4.991  -0.035   4.820
  837   2HD1  LEU 103          2HD1      LEU 103  -5.547   1.114   6.037
  838   3HD1  LEU 103          3HD1      LEU 103  -6.718   0.230   5.059
  839   1HD2  LEU 103          1HD2      LEU 103  -6.829  -1.424   8.385
  840   2HD2  LEU 103          2HD2      LEU 103  -7.811  -0.584   7.182
  841   3HD2  LEU 103          3HD2      LEU 103  -6.607   0.305   8.119
  842    H    PHE 104           H        PHE 104  -4.631  -5.041   5.436
  843    HA   PHE 104           HA       PHE 104  -6.742  -6.450   4.132
  844   1HB   PHE 104          1HB       PHE 104  -3.770  -6.901   4.273
  845   2HB   PHE 104          2HB       PHE 104  -4.843  -8.009   3.418
  846    HD1  PHE 104           HD2      PHE 104  -6.320  -7.058   1.594
  847    HD2  PHE 104           HD1      PHE 104  -3.013  -4.951   3.238
  848    HE1  PHE 104           HE2      PHE 104  -6.273  -5.601  -0.387
  849    HE2  PHE 104           HE1      PHE 104  -2.962  -3.486   1.263
  850    HZ   PHE 104           HZ       PHE 104  -4.595  -3.811  -0.553
  851    H    ALA 105           H        ALA 105  -5.359  -6.729   7.197
  852    HA   ALA 105           HA       ALA 105  -6.312  -9.488   7.507
  853   1HB   ALA 105          1HB       ALA 105  -4.738  -7.766   9.425
  854   2HB   ALA 105          2HB       ALA 105  -4.063  -9.000   8.364
  855   3HB   ALA 105          3HB       ALA 105  -5.162  -9.460   9.663
  856    H    ASP 106           H        ASP 106  -7.553  -6.492   7.588
  857    HA   ASP 106           HA       ASP 106  -9.055  -6.644  10.054
  858   1HB   ASP 106          1HB       ASP 106  -8.322  -4.467   9.139
  859   2HB   ASP 106          2HB       ASP 106  -9.326  -4.736   7.719
  860    H    ASP 107           H        ASP 107  -9.689  -6.988   6.587
  861    HA   ASP 107           HA       ASP 107 -12.433  -7.782   7.067
  862   1HB   ASP 107          1HB       ASP 107 -11.760  -6.424   5.071
  863   2HB   ASP 107          2HB       ASP 107 -10.868  -7.817   4.476
  864    H    ALA 108           H        ALA 108  -9.995  -9.251   7.969
  865    HA   ALA 108           HA       ALA 108 -10.384 -11.837   6.650
  866   1HB   ALA 108          1HB       ALA 108  -8.317 -12.526   7.740
  867   2HB   ALA 108          2HB       ALA 108  -8.232 -10.980   8.585
  868   3HB   ALA 108          3HB       ALA 108  -8.076 -11.035   6.829
  869    H    SER 109           H        SER 109 -11.757 -10.205   9.064
  870    HA   SER 109           HA       SER 109 -11.811 -11.906  11.271
  871   1HB   SER 109          1HB       SER 109 -14.074 -10.204  10.193
  872   2HB   SER 109          2HB       SER 109 -13.938 -10.826  11.837
  873    HG   SER 109           HG       SER 109 -13.163  -8.796  11.947
  874    H    LEU 110           H        LEU 110 -13.825 -11.853   8.359
  875    HA   LEU 110           HA       LEU 110 -14.988 -14.423   9.111
  876   1HB   LEU 110          1HB       LEU 110 -15.575 -12.603   6.770
  877   2HB   LEU 110          2HB       LEU 110 -16.417 -14.101   7.116
  878    HG   LEU 110           HG       LEU 110 -16.418 -11.647   8.875
  879   1HD1  LEU 110          1HD1      LEU 110 -18.764 -11.452   8.206
  880   2HD1  LEU 110          2HD1      LEU 110 -18.562 -12.818   7.107
  881   3HD1  LEU 110          3HD1      LEU 110 -17.679 -11.318   6.821
  882   1HD2  LEU 110          1HD2      LEU 110 -17.908 -14.261   9.130
  883   2HD2  LEU 110          2HD2      LEU 110 -18.144 -12.841  10.147
  884   3HD2  LEU 110          3HD2      LEU 110 -16.604 -13.697  10.175
  885    H    GLU 111           H        GLU 111 -13.333 -15.854   8.827
  886    HA   GLU 111           HA       GLU 111 -11.567 -15.818   6.639
  887   1HB   GLU 111          1HB       GLU 111 -11.329 -18.358   7.403
  888   2HB   GLU 111          2HB       GLU 111 -10.624 -17.028   8.307
  889   1HG   GLU 111          1HG       GLU 111 -11.623 -18.320   9.942
  890   2HG   GLU 111          2HG       GLU 111 -12.811 -17.051   9.654
  891    H    HIS 112           H        HIS 112 -14.651 -17.461   7.140
  892    HA   HIS 112           HA       HIS 112 -14.622 -18.373   4.379
  893   1HB   HIS 112          1HB       HIS 112 -16.699 -18.499   6.564
  894   2HB   HIS 112          2HB       HIS 112 -17.053 -18.966   4.905
  895    HD1  HIS 112           HD1      HIS 112 -15.152 -20.049   7.942
  896    HD2  HIS 112           HD2      HIS 112 -15.942 -21.402   4.088
  897    HE1  HIS 112           HE1      HIS 112 -14.448 -22.464   7.913
  898    HE2  HIS 112           HE2      HIS 112 -14.712 -23.187   5.512
  899    H    HIS 113           H        HIS 113 -14.431 -16.489   3.198
  900    HA   HIS 113           HA       HIS 113 -15.848 -14.110   3.847
  901   1HB   HIS 113          1HB       HIS 113 -14.411 -14.859   1.295
  902   2HB   HIS 113          2HB       HIS 113 -14.967 -13.242   1.709
  903    HD1  HIS 113           HD1      HIS 113 -13.577 -11.904   3.424
  904    HD2  HIS 113           HD2      HIS 113 -12.115 -15.724   2.650
  905    HE1  HIS 113           HE1      HIS 113 -11.258 -11.960   4.401
  906    HE2  HIS 113           HE2      HIS 113 -10.324 -14.208   3.729
  907    H    HIS 114           H        HIS 114 -16.846 -16.918   2.316
  908    HA   HIS 114           HA       HIS 114 -18.865 -15.575   0.685
  909   1HB   HIS 114          1HB       HIS 114 -17.460 -17.704   0.044
  910   2HB   HIS 114          2HB       HIS 114 -18.676 -18.551   0.993
  911    HD1  HIS 114           HD1      HIS 114 -18.096 -16.911  -2.264
  912    HD2  HIS 114           HD2      HIS 114 -21.314 -18.463  -0.131
  913    HE1  HIS 114           HE1      HIS 114 -19.959 -17.155  -3.933
  914    HE2  HIS 114           HE2      HIS 114 -21.949 -17.925  -2.588
  915    H    HIS 115           H        HIS 115 -18.547 -16.262   3.825
  916    HA   HIS 115           HA       HIS 115 -21.434 -16.735   4.150
  917   1HB   HIS 115          1HB       HIS 115 -19.137 -17.993   5.607
  918   2HB   HIS 115          2HB       HIS 115 -20.657 -17.734   6.456
  919    HD1  HIS 115           HD1      HIS 115 -21.759 -19.952   6.563
  920    HD2  HIS 115           HD2      HIS 115 -20.123 -19.199   2.812
  921    HE1  HIS 115           HE1      HIS 115 -22.434 -21.900   5.120
  922    HE2  HIS 115           HE2      HIS 115 -21.663 -21.275   2.802
  923    H    HIS 116           H        HIS 116 -22.474 -15.220   5.249
  924    HA   HIS 116           HA       HIS 116 -20.934 -13.385   6.955
  925   1HB   HIS 116          1HB       HIS 116 -22.900 -12.514   4.819
  926   2HB   HIS 116          2HB       HIS 116 -22.115 -11.450   5.977
  927    HD1  HIS 116           HD1      HIS 116 -19.811 -10.596   5.391
  928    HD2  HIS 116           HD2      HIS 116 -21.141 -13.586   2.825
  929    HE1  HIS 116           HE1      HIS 116 -18.148 -10.664   3.503
  930    HE2  HIS 116           HE2      HIS 116 -18.853 -12.633   2.098
  931    H    HIS 117           H        HIS 117 -22.378 -12.008   8.307
  932    HA   HIS 117           HA       HIS 117 -25.100 -13.044   8.621
  933   1HB   HIS 117          1HB       HIS 117 -23.062 -12.756  10.829
  934   2HB   HIS 117          2HB       HIS 117 -24.790 -12.776  11.150
  935    HD1  HIS 117           HD1      HIS 117 -26.046 -15.037  10.725
  936    HD2  HIS 117           HD2      HIS 117 -21.911 -15.218  10.334
  937    HE1  HIS 117           HE1      HIS 117 -25.469 -17.481  10.765
  938    HE2  HIS 117           HE2      HIS 117 -22.950 -17.539  10.814
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1 -17.869  -2.292   6.174
    2   2H    MET   1          2H        MET   1 -19.240  -3.000   5.471
    3   3H    MET   1          3H        MET   1 -19.189  -1.323   5.727
    4    HA   MET   1           HA       MET   1 -17.474  -2.867   3.866
    5   1HB   MET   1          1HB       MET   1 -19.709  -0.890   3.367
    6   2HB   MET   1          2HB       MET   1 -18.645  -1.523   2.121
    7   1HG   MET   1          1HG       MET   1 -19.481  -3.756   2.486
    8   2HG   MET   1          2HG       MET   1 -20.474  -3.191   3.829
    9   1HE   MET   1          1HE       MET   1 -21.188  -2.015  -0.582
   10   2HE   MET   1          2HE       MET   1 -19.924  -3.130  -0.060
   11   3HE   MET   1          3HE       MET   1 -19.820  -1.420   0.359
   12    H    THR   2           H        THR   2 -17.697  -0.219   5.925
   13    HA   THR   2           HA       THR   2 -16.560   1.855   4.417
   14    HB   THR   2           HB       THR   2 -15.857   2.120   7.169
   15    HG1  THR   2           HG1      THR   2 -18.477   1.841   7.453
   16   1HG2  THR   2          1HG2      THR   2 -17.527   3.913   7.097
   17   2HG2  THR   2          2HG2      THR   2 -18.141   3.288   5.566
   18   3HG2  THR   2          3HG2      THR   2 -16.508   3.947   5.657
   19    H    THR   3           H        THR   3 -15.119  -0.904   5.932
   20    HA   THR   3           HA       THR   3 -12.523  -0.039   6.401
   21    HB   THR   3           HB       THR   3 -13.293  -2.726   5.253
   22    HG1  THR   3           HG1      THR   3 -13.774  -3.348   7.299
   23   1HG2  THR   3          1HG2      THR   3 -10.888  -2.337   5.280
   24   2HG2  THR   3          2HG2      THR   3 -11.328  -3.530   6.502
   25   3HG2  THR   3          3HG2      THR   3 -10.965  -1.871   6.980
   26    H    HIS   4           H        HIS   4 -14.046  -1.109   3.397
   27    HA   HIS   4           HA       HIS   4 -11.755  -1.155   1.776
   28   1HB   HIS   4          1HB       HIS   4 -14.651  -0.646   1.070
   29   2HB   HIS   4          2HB       HIS   4 -13.378  -0.840  -0.130
   30    HD1  HIS   4           HD1      HIS   4 -15.830  -2.737   1.711
   31    HD2  HIS   4           HD2      HIS   4 -12.060  -3.500   0.141
   32    HE1  HIS   4           HE1      HIS   4 -15.678  -5.237   1.510
   33    HE2  HIS   4           HE2      HIS   4 -13.471  -5.660   0.375
   34    H    ASP   5           H        ASP   5 -13.895   1.457   2.717
   35    HA   ASP   5           HA       ASP   5 -12.849   3.401   0.923
   36   1HB   ASP   5          1HB       ASP   5 -15.042   3.736   1.873
   37   2HB   ASP   5          2HB       ASP   5 -14.395   3.675   3.509
   38    H    ARG   6           H        ARG   6 -12.155   2.512   4.273
   39    HA   ARG   6           HA       ARG   6 -10.317   4.602   4.771
   40   1HB   ARG   6          1HB       ARG   6 -10.433   1.873   6.069
   41   2HB   ARG   6          2HB       ARG   6  -9.594   3.284   6.699
   42   1HG   ARG   6          1HG       ARG   6 -11.847   4.436   6.735
   43   2HG   ARG   6          2HG       ARG   6 -12.552   2.845   6.444
   44   1HD   ARG   6          1HD       ARG   6 -12.580   3.244   8.800
   45   2HD   ARG   6          2HD       ARG   6 -11.349   2.024   8.470
   46    HE   ARG   6           HE       ARG   6 -10.191   4.607   8.480
   47   1HH1  ARG   6          1HH1      ARG   6 -11.451   2.160  10.638
   48   2HH1  ARG   6          2HH1      ARG   6 -10.506   2.682  11.998
   49   1HH2  ARG   6          1HH2      ARG   6  -8.954   5.314  10.245
   50   2HH2  ARG   6          2HH2      ARG   6  -9.085   4.499  11.782
   51    H    VAL   7           H        VAL   7  -9.976   1.376   3.408
   52    HA   VAL   7           HA       VAL   7  -7.165   1.272   3.309
   53    HB   VAL   7           HB       VAL   7  -9.170   0.037   1.402
   54   1HG1  VAL   7          1HG1      VAL   7  -7.372  -1.516   0.802
   55   2HG1  VAL   7          2HG1      VAL   7  -6.253  -0.613   1.825
   56   3HG1  VAL   7          3HG1      VAL   7  -6.952   0.149   0.395
   57   1HG2  VAL   7          1HG2      VAL   7  -7.773  -1.107   3.819
   58   2HG2  VAL   7          2HG2      VAL   7  -8.825  -2.000   2.720
   59   3HG2  VAL   7          3HG2      VAL   7  -9.483  -0.692   3.702
   60    H    ARG   8           H        ARG   8  -9.560   2.597   1.056
   61    HA   ARG   8           HA       ARG   8  -7.809   3.369  -0.990
   62   1HB   ARG   8          1HB       ARG   8 -10.221   3.396  -1.309
   63   2HB   ARG   8          2HB       ARG   8 -10.400   4.640  -0.079
   64   1HG   ARG   8          1HG       ARG   8  -9.107   6.189  -1.495
   65   2HG   ARG   8          2HG       ARG   8  -9.020   4.943  -2.741
   66   1HD   ARG   8          1HD       ARG   8 -10.802   6.576  -3.179
   67   2HD   ARG   8          2HD       ARG   8 -11.433   4.945  -2.954
   68    HE   ARG   8           HE       ARG   8 -12.257   5.593  -0.818
   69   1HH1  ARG   8          1HH1      ARG   8 -10.986   8.250  -2.718
   70   2HH1  ARG   8          2HH1      ARG   8 -11.796   9.470  -1.789
   71   1HH2  ARG   8          1HH2      ARG   8 -13.306   7.191   0.420
   72   2HH2  ARG   8          2HH2      ARG   8 -13.099   8.874   0.003
   73    H    LEU   9           H        LEU   9  -8.891   5.079   1.909
   74    HA   LEU   9           HA       LEU   9  -7.530   7.498   1.449
   75   1HB   LEU   9          1HB       LEU   9  -8.185   6.219   4.105
   76   2HB   LEU   9          2HB       LEU   9  -7.833   7.915   3.830
   77    HG   LEU   9           HG       LEU   9 -10.241   6.432   2.773
   78   1HD1  LEU   9          1HD1      LEU   9 -10.345   6.758   5.175
   79   2HD1  LEU   9          2HD1      LEU   9 -11.493   7.817   4.354
   80   3HD1  LEU   9          3HD1      LEU   9  -9.977   8.472   4.974
   81   1HD2  LEU   9          1HD2      LEU   9 -11.029   8.650   2.095
   82   2HD2  LEU   9          2HD2      LEU   9  -9.540   8.203   1.263
   83   3HD2  LEU   9          3HD2      LEU   9  -9.491   9.348   2.604
   84    H    GLN  10           H        GLN  10  -6.563   4.485   2.986
   85    HA   GLN  10           HA       GLN  10  -4.081   5.332   4.006
   86   1HB   GLN  10          1HB       GLN  10  -5.349   3.187   4.545
   87   2HB   GLN  10          2HB       GLN  10  -4.729   2.543   3.033
   88   1HG   GLN  10          1HG       GLN  10  -2.923   3.595   5.188
   89   2HG   GLN  10          2HG       GLN  10  -3.493   1.930   5.164
   90   1HE2  GLN  10          1HE2      GLN  10  -0.793   3.078   4.915
   91   2HE2  GLN  10          2HE2      GLN  10  -0.159   2.451   3.437
   92    H    LEU  11           H        LEU  11  -4.979   3.809   0.932
   93    HA   LEU  11           HA       LEU  11  -2.460   3.645  -0.241
   94   1HB   LEU  11          1HB       LEU  11  -5.102   4.249  -1.577
   95   2HB   LEU  11          2HB       LEU  11  -3.655   3.697  -2.397
   96    HG   LEU  11           HG       LEU  11  -5.155   2.110  -0.314
   97   1HD1  LEU  11          1HD1      LEU  11  -5.136   1.860  -3.319
   98   2HD1  LEU  11          2HD1      LEU  11  -6.488   2.410  -2.328
   99   3HD1  LEU  11          3HD1      LEU  11  -5.916   0.748  -2.194
  100   1HD2  LEU  11          1HD2      LEU  11  -2.905   1.346  -2.177
  101   2HD2  LEU  11          2HD2      LEU  11  -3.765   0.251  -1.095
  102   3HD2  LEU  11          3HD2      LEU  11  -2.782   1.555  -0.429
  103    H    GLN  12           H        GLN  12  -4.776   6.306  -0.188
  104    HA   GLN  12           HA       GLN  12  -3.319   8.068  -1.838
  105   1HB   GLN  12          1HB       GLN  12  -5.338   8.666   0.333
  106   2HB   GLN  12          2HB       GLN  12  -4.770   9.826  -0.862
  107   1HG   GLN  12          1HG       GLN  12  -5.702   8.457  -2.649
  108   2HG   GLN  12          2HG       GLN  12  -6.253   7.275  -1.464
  109   1HE2  GLN  12          1HE2      GLN  12  -7.758   8.832  -3.410
  110   2HE2  GLN  12          2HE2      GLN  12  -8.935   9.733  -2.501
  111    H    ALA  13           H        ALA  13  -3.255   7.430   1.615
  112    HA   ALA  13           HA       ALA  13  -1.553   9.592   2.322
  113   1HB   ALA  13          1HB       ALA  13  -1.997   6.962   3.733
  114   2HB   ALA  13          2HB       ALA  13  -2.931   8.439   3.974
  115   3HB   ALA  13          3HB       ALA  13  -1.226   8.388   4.425
  116    H    LEU  14           H        LEU  14  -0.978   6.204   1.474
  117    HA   LEU  14           HA       LEU  14   1.807   6.181   1.838
  118   1HB   LEU  14          1HB       LEU  14   0.447   4.155   1.515
  119   2HB   LEU  14          2HB       LEU  14   0.141   4.625  -0.145
  120    HG   LEU  14           HG       LEU  14   2.562   4.417  -0.626
  121   1HD1  LEU  14          1HD1      LEU  14   3.422   4.834   1.611
  122   2HD1  LEU  14          2HD1      LEU  14   4.009   3.293   0.986
  123   3HD1  LEU  14          3HD1      LEU  14   2.709   3.323   2.177
  124   1HD2  LEU  14          1HD2      LEU  14   1.056   2.566  -1.093
  125   2HD2  LEU  14          2HD2      LEU  14   1.266   1.964   0.551
  126   3HD2  LEU  14          3HD2      LEU  14   2.631   1.971  -0.566
  127    H    GLU  15           H        GLU  15  -0.177   6.960  -0.994
  128    HA   GLU  15           HA       GLU  15   1.877   7.567  -2.793
  129   1HB   GLU  15          1HB       GLU  15  -0.474   7.405  -3.469
  130   2HB   GLU  15          2HB       GLU  15  -0.855   8.842  -2.528
  131   1HG   GLU  15          1HG       GLU  15   1.006   9.913  -4.054
  132   2HG   GLU  15          2HG       GLU  15   0.553   8.591  -5.129
  133    H    ALA  16           H        ALA  16   0.166   9.628  -0.467
  134    HA   ALA  16           HA       ALA  16   1.446  12.042  -1.089
  135   1HB   ALA  16          1HB       ALA  16  -0.604  11.916   0.239
  136   2HB   ALA  16          2HB       ALA  16   0.651  12.829   1.078
  137   3HB   ALA  16          3HB       ALA  16   0.296  11.169   1.560
  138    H    LEU  17           H        LEU  17   2.421   9.361   0.937
  139    HA   LEU  17           HA       LEU  17   4.528  10.635   2.309
  140   1HB   LEU  17          1HB       LEU  17   3.597   8.440   2.943
  141   2HB   LEU  17          2HB       LEU  17   4.288   7.737   1.492
  142    HG   LEU  17           HG       LEU  17   6.419   8.997   2.831
  143   1HD1  LEU  17          1HD1      LEU  17   4.742   7.336   4.703
  144   2HD1  LEU  17          2HD1      LEU  17   5.060   9.065   4.844
  145   3HD1  LEU  17          3HD1      LEU  17   6.381   7.908   5.017
  146   1HD2  LEU  17          1HD2      LEU  17   6.578   7.013   1.449
  147   2HD2  LEU  17          2HD2      LEU  17   5.640   6.092   2.626
  148   3HD2  LEU  17          3HD2      LEU  17   7.240   6.699   3.053
  149    H    LEU  18           H        LEU  18   4.500   8.713  -0.680
  150    HA   LEU  18           HA       LEU  18   7.290   9.211  -1.196
  151   1HB   LEU  18          1HB       LEU  18   5.144   8.017  -2.957
  152   2HB   LEU  18          2HB       LEU  18   6.860   8.022  -3.318
  153    HG   LEU  18           HG       LEU  18   5.614   6.632  -0.945
  154   1HD1  LEU  18          1HD1      LEU  18   4.927   5.590  -3.033
  155   2HD1  LEU  18          2HD1      LEU  18   6.070   4.565  -2.163
  156   3HD1  LEU  18          3HD1      LEU  18   6.610   5.504  -3.555
  157   1HD2  LEU  18          1HD2      LEU  18   7.922   7.319  -0.562
  158   2HD2  LEU  18          2HD2      LEU  18   8.413   6.544  -2.069
  159   3HD2  LEU  18          3HD2      LEU  18   7.807   5.568  -0.731
  160    H    ARG  19           H        ARG  19   4.424  10.914  -1.730
  161    HA   ARG  19           HA       ARG  19   5.258  12.392  -4.029
  162   1HB   ARG  19          1HB       ARG  19   2.875  12.181  -3.313
  163   2HB   ARG  19          2HB       ARG  19   3.245  13.167  -1.904
  164   1HG   ARG  19          1HG       ARG  19   4.044  14.924  -3.593
  165   2HG   ARG  19          2HG       ARG  19   3.173  13.963  -4.788
  166   1HD   ARG  19          1HD       ARG  19   1.988  15.139  -2.278
  167   2HD   ARG  19          2HD       ARG  19   1.817  15.808  -3.897
  168    HE   ARG  19           HE       ARG  19   0.904  13.158  -3.930
  169   1HH1  ARG  19          1HH1      ARG  19   0.058  16.258  -2.567
  170   2HH1  ARG  19          2HH1      ARG  19  -1.651  15.938  -2.544
  171   1HH2  ARG  19          1HH2      ARG  19  -1.350  12.705  -3.904
  172   2HH2  ARG  19          2HH2      ARG  19  -2.445  13.920  -3.298
  173    H    GLU  20           H        GLU  20   5.099  13.119  -0.548
  174    HA   GLU  20           HA       GLU  20   6.550  15.572  -0.833
  175   1HB   GLU  20          1HB       GLU  20   5.979  14.003   1.687
  176   2HB   GLU  20          2HB       GLU  20   6.473  15.689   1.591
  177   1HG   GLU  20          1HG       GLU  20   4.371  16.119   0.286
  178   2HG   GLU  20          2HG       GLU  20   3.871  14.482   0.704
  179    H    HIS  21           H        HIS  21   7.340  12.265   0.093
  180    HA   HIS  21           HA       HIS  21  10.178  12.944   0.226
  181   1HB   HIS  21          1HB       HIS  21   8.719  10.305   0.543
  182   2HB   HIS  21          2HB       HIS  21  10.472  10.457   0.576
  183    HD1  HIS  21           HD1      HIS  21  11.490  11.815   2.629
  184    HD2  HIS  21           HD2      HIS  21   7.450  10.849   2.918
  185    HE1  HIS  21           HE1      HIS  21  10.875  12.167   5.038
  186    HE2  HIS  21           HE2      HIS  21   8.398  11.728   5.162
  187    H    GLN  22           H        GLN  22   9.335  13.761  -1.979
  188    HA   GLN  22           HA       GLN  22   8.606  12.757  -4.216
  189   1HB   GLN  22          1HB       GLN  22  11.189  14.287  -3.981
  190   2HB   GLN  22          2HB       GLN  22  10.294  14.058  -5.477
  191   1HG   GLN  22          1HG       GLN  22   8.388  15.247  -4.519
  192   2HG   GLN  22          2HG       GLN  22   9.290  15.480  -3.020
  193   1HE2  GLN  22          1HE2      GLN  22   8.181  17.453  -4.864
  194   2HE2  GLN  22          2HE2      GLN  22   9.513  18.439  -5.372
  195    H    HIS  23           H        HIS  23   8.837  10.484  -4.130
  196    HA   HIS  23           HA       HIS  23  11.035   9.716  -5.909
  197   1HB   HIS  23          1HB       HIS  23  10.186   8.265  -3.406
  198   2HB   HIS  23          2HB       HIS  23  10.904   7.391  -4.754
  199    HD1  HIS  23           HD1      HIS  23  13.412   7.679  -5.160
  200    HD2  HIS  23           HD2      HIS  23  11.955   9.971  -2.011
  201    HE1  HIS  23           HE1      HIS  23  15.441   8.543  -3.950
  202    HE2  HIS  23           HE2      HIS  23  14.518  10.160  -2.254
  203    H    TRP  24           H        TRP  24   7.995  10.338  -5.698
  204    HA   TRP  24           HA       TRP  24   6.713   7.909  -6.530
  205   1HB   TRP  24          1HB       TRP  24   5.473   9.502  -5.189
  206   2HB   TRP  24          2HB       TRP  24   5.764  10.780  -6.362
  207    HD1  TRP  24           HD1      TRP  24   4.037  11.056  -8.269
  208    HE1  TRP  24           HE1      TRP  24   1.892   9.816  -8.959
  209    HE3  TRP  24           HE3      TRP  24   4.432   6.981  -5.202
  210    HZ2  TRP  24           HZ2      TRP  24   0.547   7.425  -8.295
  211    HZ3  TRP  24           HZ3      TRP  24   2.672   5.264  -5.292
  212    HH2  TRP  24           HH2      TRP  24   0.769   5.483  -6.807
  213    H    ARG  25           H        ARG  25   6.410   7.213  -8.529
  214    HA   ARG  25           HA       ARG  25   7.664   8.337 -10.768
  215   1HB   ARG  25          1HB       ARG  25   5.465   6.296 -10.508
  216   2HB   ARG  25          2HB       ARG  25   6.143   6.756 -12.058
  217   1HG   ARG  25          1HG       ARG  25   8.306   5.920 -11.409
  218   2HG   ARG  25          2HG       ARG  25   7.710   5.566  -9.782
  219   1HD   ARG  25          1HD       ARG  25   6.220   3.904 -10.603
  220   2HD   ARG  25          2HD       ARG  25   6.508   4.381 -12.273
  221    HE   ARG  25           HE       ARG  25   8.950   3.588 -11.178
  222   1HH1  ARG  25          1HH1      ARG  25   5.832   2.171 -11.894
  223   2HH1  ARG  25          2HH1      ARG  25   6.484   0.613 -12.283
  224   1HH2  ARG  25          1HH2      ARG  25   9.818   1.540 -11.703
  225   2HH2  ARG  25          2HH2      ARG  25   8.746   0.257 -12.186
  226    H    ASN  26           H        ASN  26   7.121  10.171 -11.774
  227    HA   ASN  26           HA       ASN  26   4.302  10.917 -12.047
  228   1HB   ASN  26          1HB       ASN  26   6.836  12.301 -12.971
  229   2HB   ASN  26          2HB       ASN  26   5.213  12.942 -13.189
  230   1HD2  ASN  26          1HD2      ASN  26   4.350  11.928 -10.555
  231   2HD2  ASN  26          2HD2      ASN  26   5.046  13.003  -9.395
  232    H    ASP  27           H        ASP  27   5.334   8.517 -13.193
  233    HA   ASP  27           HA       ASP  27   5.334   9.034 -16.085
  234   1HB   ASP  27          1HB       ASP  27   7.264   7.796 -14.892
  235   2HB   ASP  27          2HB       ASP  27   6.135   6.459 -14.720
  236    H    GLU  28           H        GLU  28   4.649   6.278 -16.736
  237    HA   GLU  28           HA       GLU  28   1.996   5.883 -15.619
  238   1HB   GLU  28          1HB       GLU  28   1.855   7.576 -17.534
  239   2HB   GLU  28          2HB       GLU  28   2.290   6.248 -18.598
  240   1HG   GLU  28          1HG       GLU  28   0.301   5.060 -18.054
  241   2HG   GLU  28          2HG       GLU  28  -0.091   6.200 -16.767
  242    HA   PRO  29           HA       PRO  29   3.290   1.707 -15.746
  243   1HB   PRO  29          1HB       PRO  29   0.454   1.172 -16.507
  244   2HB   PRO  29          2HB       PRO  29   1.438   0.434 -15.239
  245   1HG   PRO  29          1HG       PRO  29  -0.385   2.265 -14.631
  246   2HG   PRO  29          2HG       PRO  29   1.187   2.243 -13.808
  247   1HD   PRO  29          1HD       PRO  29   0.174   4.085 -15.920
  248   2HD   PRO  29          2HD       PRO  29   1.276   4.410 -14.568
  249    H    GLN  30           H        GLN  30   4.413   0.765 -17.265
  250    HA   GLN  30           HA       GLN  30   3.291   0.487 -19.977
  251   1HB   GLN  30          1HB       GLN  30   6.100   0.836 -18.981
  252   2HB   GLN  30          2HB       GLN  30   5.812   0.017 -20.508
  253   1HG   GLN  30          1HG       GLN  30   4.840   2.787 -19.855
  254   2HG   GLN  30          2HG       GLN  30   6.326   2.428 -20.733
  255   1HE2  GLN  30          1HE2      GLN  30   6.199   1.614 -22.827
  256   2HE2  GLN  30          2HE2      GLN  30   4.743   1.699 -23.764
  257    HA   PRO  31           HA       PRO  31   2.815  -3.838 -19.510
  258   1HB   PRO  31          1HB       PRO  31   3.953  -4.655 -21.940
  259   2HB   PRO  31          2HB       PRO  31   2.263  -4.239 -21.655
  260   1HG   PRO  31          1HG       PRO  31   4.454  -2.585 -22.803
  261   2HG   PRO  31          2HG       PRO  31   2.727  -2.604 -23.203
  262   1HD   PRO  31          1HD       PRO  31   3.802  -0.630 -21.748
  263   2HD   PRO  31          2HD       PRO  31   2.170  -1.246 -21.408
  264    H    HIS  32           H        HIS  32   6.041  -2.775 -20.585
  265    HA   HIS  32           HA       HIS  32   7.361  -5.224 -20.054
  266   1HB   HIS  32          1HB       HIS  32   8.280  -3.350 -21.442
  267   2HB   HIS  32          2HB       HIS  32   8.571  -2.453 -19.959
  268    HD1  HIS  32           HD1      HIS  32  10.081  -4.879 -22.217
  269    HD2  HIS  32           HD2      HIS  32  10.582  -3.731 -18.249
  270    HE1  HIS  32           HE1      HIS  32  12.343  -5.747 -21.536
  271    HE2  HIS  32           HE2      HIS  32  12.686  -4.908 -19.185
  272    H    GLN  33           H        GLN  33   6.307  -2.648 -17.986
  273    HA   GLN  33           HA       GLN  33   8.001  -3.277 -15.770
  274   1HB   GLN  33          1HB       GLN  33   5.374  -1.783 -15.884
  275   2HB   GLN  33          2HB       GLN  33   6.421  -1.867 -14.473
  276   1HG   GLN  33          1HG       GLN  33   8.162  -0.688 -15.629
  277   2HG   GLN  33          2HG       GLN  33   7.242  -0.727 -17.131
  278   1HE2  GLN  33          1HE2      GLN  33   8.293   1.533 -15.599
  279   2HE2  GLN  33          2HE2      GLN  33   6.925   2.540 -15.270
  280    H    PHE  34           H        PHE  34   5.130  -4.596 -17.083
  281    HA   PHE  34           HA       PHE  34   4.527  -6.083 -14.626
  282   1HB   PHE  34          1HB       PHE  34   2.937  -5.818 -17.191
  283   2HB   PHE  34          2HB       PHE  34   2.415  -6.692 -15.755
  284    HD1  PHE  34           HD1      PHE  34   1.961  -5.428 -13.652
  285    HD2  PHE  34           HD2      PHE  34   2.675  -3.480 -17.369
  286    HE1  PHE  34           HE1      PHE  34   0.959  -3.366 -12.760
  287    HE2  PHE  34           HE2      PHE  34   1.675  -1.415 -16.482
  288    HZ   PHE  34           HZ       PHE  34   0.816  -1.356 -14.175
  289    H    ASN  35           H        ASN  35   6.713  -6.476 -16.738
  290    HA   ASN  35           HA       ASN  35   6.143  -9.008 -17.964
  291   1HB   ASN  35          1HB       ASN  35   7.667  -7.354 -18.974
  292   2HB   ASN  35          2HB       ASN  35   8.755  -7.516 -17.605
  293   1HD2  ASN  35          1HD2      ASN  35  10.442  -8.103 -18.909
  294   2HD2  ASN  35          2HD2      ASN  35  10.548  -9.667 -19.644
  295    H    SER  36           H        SER  36   7.564 -10.926 -17.561
  296    HA   SER  36           HA       SER  36   8.339 -12.596 -16.249
  297   1HB   SER  36          1HB       SER  36   9.036 -10.353 -14.341
  298   2HB   SER  36          2HB       SER  36   9.534 -12.032 -14.133
  299    HG   SER  36           HG       SER  36  11.064 -11.727 -15.536
  300    H    THR  37           H        THR  37   5.736 -10.757 -15.519
  301    HA   THR  37           HA       THR  37   4.032 -10.783 -14.016
  302    HB   THR  37           HB       THR  37   3.319 -12.356 -15.685
  303    HG1  THR  37           HG1      THR  37   2.377 -13.869 -13.657
  304   1HG2  THR  37          1HG2      THR  37   3.597 -14.779 -15.438
  305   2HG2  THR  37          2HG2      THR  37   4.613 -14.519 -14.020
  306   3HG2  THR  37          3HG2      THR  37   5.153 -13.967 -15.605
  307    H    GLN  38           H        GLN  38   5.557 -10.260 -12.264
  308    HA   GLN  38           HA       GLN  38   5.650 -12.391 -10.236
  309   1HB   GLN  38          1HB       GLN  38   7.360  -9.952 -10.682
  310   2HB   GLN  38          2HB       GLN  38   7.338 -10.791  -9.137
  311   1HG   GLN  38          1HG       GLN  38   8.251 -12.745 -10.071
  312   2HG   GLN  38          2HG       GLN  38   7.949 -12.191 -11.719
  313   1HE2  GLN  38          1HE2      GLN  38  10.423 -13.034 -10.283
  314   2HE2  GLN  38          2HE2      GLN  38  11.547 -11.736 -10.566
  315    HA   PRO  39           HA       PRO  39   2.529 -10.299  -7.950
  316   1HB   PRO  39          1HB       PRO  39   3.358 -10.887  -5.390
  317   2HB   PRO  39          2HB       PRO  39   2.460 -11.997  -6.429
  318   1HG   PRO  39          1HG       PRO  39   5.398 -11.864  -5.888
  319   2HG   PRO  39          2HG       PRO  39   4.348 -13.285  -6.035
  320   1HD   PRO  39          1HD       PRO  39   5.958 -12.513  -8.039
  321   2HD   PRO  39          2HD       PRO  39   4.353 -13.204  -8.350
  322    H    PHE  40           H        PHE  40   5.898  -9.712  -7.193
  323    HA   PHE  40           HA       PHE  40   5.180  -7.037  -6.187
  324   1HB   PHE  40          1HB       PHE  40   7.616  -8.694  -5.502
  325   2HB   PHE  40          2HB       PHE  40   7.283  -7.074  -4.905
  326    HD1  PHE  40           HD1      PHE  40   5.452  -6.696  -3.310
  327    HD2  PHE  40           HD2      PHE  40   6.564 -10.607  -4.562
  328    HE1  PHE  40           HE1      PHE  40   4.251  -7.649  -1.388
  329    HE2  PHE  40           HE2      PHE  40   5.362 -11.568  -2.645
  330    HZ   PHE  40           HZ       PHE  40   4.206 -10.088  -1.054
  331    H    PHE  41           H        PHE  41   6.321  -8.571  -8.811
  332    HA   PHE  41           HA       PHE  41   7.789  -8.198 -10.511
  333   1HB   PHE  41          1HB       PHE  41   7.010  -5.342  -9.890
  334   2HB   PHE  41          2HB       PHE  41   7.743  -5.897 -11.395
  335    HD1  PHE  41           HD1      PHE  41   6.474  -7.718 -12.699
  336    HD2  PHE  41           HD2      PHE  41   4.704  -5.321  -9.658
  337    HE1  PHE  41           HE1      PHE  41   4.241  -8.240 -13.590
  338    HE2  PHE  41           HE2      PHE  41   2.470  -5.838 -10.545
  339    HZ   PHE  41           HZ       PHE  41   2.235  -7.301 -12.514
  340    H    MET  42           H        MET  42   9.632  -8.960  -9.438
  341    HA   MET  42           HA       MET  42  11.246  -7.056  -7.923
  342   1HB   MET  42          1HB       MET  42  11.647 -10.028  -8.304
  343   2HB   MET  42          2HB       MET  42  12.456  -9.002  -7.129
  344   1HG   MET  42          1HG       MET  42  10.425  -8.666  -5.918
  345   2HG   MET  42          2HG       MET  42   9.487  -9.478  -7.170
  346   1HE   MET  42          1HE       MET  42   9.180 -10.260  -4.119
  347   2HE   MET  42          2HE       MET  42   9.193 -12.020  -4.225
  348   3HE   MET  42          3HE       MET  42   8.321 -11.072  -5.428
  349    H    ASP  43           H        ASP  43  11.177  -8.705 -10.955
  350    HA   ASP  43           HA       ASP  43  14.001  -8.181 -11.474
  351   1HB   ASP  43          1HB       ASP  43  11.874  -9.748 -12.890
  352   2HB   ASP  43          2HB       ASP  43  13.320  -9.248 -13.760
  353    H    THR  44           H        THR  44  10.828  -7.268 -12.756
  354    HA   THR  44           HA       THR  44  11.891  -5.682 -14.856
  355    HB   THR  44           HB       THR  44   9.517  -4.821 -15.004
  356    HG1  THR  44           HG1      THR  44   8.022  -5.621 -13.614
  357   1HG2  THR  44          1HG2      THR  44   8.647  -6.961 -15.819
  358   2HG2  THR  44          2HG2      THR  44   9.950  -7.808 -14.983
  359   3HG2  THR  44          3HG2      THR  44  10.321  -6.716 -16.318
  360    H    MET  45           H        MET  45  10.831  -5.002 -11.584
  361    HA   MET  45           HA       MET  45  11.829  -2.256 -11.888
  362   1HB   MET  45          1HB       MET  45   9.322  -3.011 -10.361
  363   2HB   MET  45          2HB       MET  45   9.969  -1.391 -10.583
  364   1HG   MET  45          1HG       MET  45   9.550  -1.564 -12.991
  365   2HG   MET  45          2HG       MET  45   8.870  -3.172 -12.746
  366   1HE   MET  45          1HE       MET  45   6.676  -3.604 -11.224
  367   2HE   MET  45          2HE       MET  45   5.741  -2.301 -10.488
  368   3HE   MET  45          3HE       MET  45   7.372  -2.650  -9.914
  369    H    GLU  46           H        GLU  46  12.040  -1.260  -9.581
  370    HA   GLU  46           HA       GLU  46  13.324  -3.226  -7.860
  371   1HB   GLU  46          1HB       GLU  46  13.010  -0.227  -7.564
  372   2HB   GLU  46          2HB       GLU  46  13.939  -1.256  -6.481
  373   1HG   GLU  46          1HG       GLU  46  15.354  -1.903  -8.430
  374   2HG   GLU  46          2HG       GLU  46  14.496  -0.691  -9.382
  375    HA   PRO  47           HA       PRO  47   9.932  -4.209  -5.303
  376   1HB   PRO  47          1HB       PRO  47  11.666  -3.519  -2.976
  377   2HB   PRO  47          2HB       PRO  47  10.745  -4.994  -3.297
  378   1HG   PRO  47          1HG       PRO  47  13.376  -4.962  -3.638
  379   2HG   PRO  47          2HG       PRO  47  12.329  -5.815  -4.788
  380   1HD   PRO  47          1HD       PRO  47  13.715  -3.186  -5.075
  381   2HD   PRO  47          2HD       PRO  47  13.418  -4.445  -6.291
  382    H    LEU  48           H        LEU  48  11.589  -1.185  -4.613
  383    HA   LEU  48           HA       LEU  48   9.555  -0.115  -2.919
  384   1HB   LEU  48          1HB       LEU  48  11.876   0.673  -2.844
  385   2HB   LEU  48          2HB       LEU  48  11.732   1.278  -4.483
  386    HG   LEU  48           HG       LEU  48  10.001   2.880  -3.705
  387   1HD1  LEU  48          1HD1      LEU  48  10.761   1.880  -0.964
  388   2HD1  LEU  48          2HD1      LEU  48   9.208   1.637  -1.762
  389   3HD1  LEU  48          3HD1      LEU  48   9.724   3.262  -1.311
  390   1HD2  LEU  48          1HD2      LEU  48  11.550   4.380  -2.556
  391   2HD2  LEU  48          2HD2      LEU  48  12.333   3.563  -3.909
  392   3HD2  LEU  48          3HD2      LEU  48  12.642   3.029  -2.256
  393    H    GLU  49           H        GLU  49  10.040  -0.278  -6.349
  394    HA   GLU  49           HA       GLU  49   8.306   1.927  -6.988
  395   1HB   GLU  49          1HB       GLU  49   9.416  -0.255  -8.758
  396   2HB   GLU  49          2HB       GLU  49   8.616   1.208  -9.313
  397   1HG   GLU  49          1HG       GLU  49  10.414   2.551  -8.319
  398   2HG   GLU  49          2HG       GLU  49  11.225   1.066  -7.818
  399    H    TRP  50           H        TRP  50   7.844  -1.311  -6.136
  400    HA   TRP  50           HA       TRP  50   5.649  -2.046  -7.716
  401   1HB   TRP  50          1HB       TRP  50   6.911  -3.656  -6.383
  402   2HB   TRP  50          2HB       TRP  50   6.364  -2.883  -4.899
  403    HD1  TRP  50           HD1      TRP  50   4.682  -4.572  -7.974
  404    HE1  TRP  50           HE1      TRP  50   2.683  -5.942  -7.109
  405    HE3  TRP  50           HE3      TRP  50   4.989  -3.414  -3.008
  406    HZ2  TRP  50           HZ2      TRP  50   1.399  -6.453  -4.651
  407    HZ3  TRP  50           HZ3      TRP  50   3.337  -4.382  -1.467
  408    HH2  TRP  50           HH2      TRP  50   1.576  -5.863  -2.274
  409    H    LEU  51           H        LEU  51   5.883  -0.158  -4.776
  410    HA   LEU  51           HA       LEU  51   3.143  -0.009  -4.133
  411   1HB   LEU  51          1HB       LEU  51   5.286   2.078  -3.694
  412   2HB   LEU  51          2HB       LEU  51   3.744   2.003  -2.869
  413    HG   LEU  51           HG       LEU  51   5.903  -0.092  -2.631
  414   1HD1  LEU  51          1HD1      LEU  51   6.314   0.853  -0.420
  415   2HD1  LEU  51          2HD1      LEU  51   5.144   2.132  -0.743
  416   3HD1  LEU  51          3HD1      LEU  51   6.630   2.039  -1.688
  417   1HD2  LEU  51          1HD2      LEU  51   3.653  -0.943  -2.230
  418   2HD2  LEU  51          2HD2      LEU  51   3.361   0.356  -1.073
  419   3HD2  LEU  51          3HD2      LEU  51   4.581  -0.871  -0.731
  420    H    GLN  52           H        GLN  52   5.070   1.501  -6.565
  421    HA   GLN  52           HA       GLN  52   3.215   3.733  -6.879
  422   1HB   GLN  52          1HB       GLN  52   5.822   3.306  -8.322
  423   2HB   GLN  52          2HB       GLN  52   4.934   4.810  -8.113
  424   1HG   GLN  52          1HG       GLN  52   5.377   4.717  -5.701
  425   2HG   GLN  52          2HG       GLN  52   6.316   3.244  -5.947
  426   1HE2  GLN  52          1HE2      GLN  52   7.164   5.769  -4.854
  427   2HE2  GLN  52          2HE2      GLN  52   8.446   6.345  -5.868
  428    H    TRP  53           H        TRP  53   1.583   3.390  -8.172
  429    HA   TRP  53           HA       TRP  53   0.417   3.144 -10.078
  430   1HB   TRP  53          1HB       TRP  53   3.154   2.819 -11.284
  431   2HB   TRP  53          2HB       TRP  53   1.676   2.767 -12.243
  432    HD1  TRP  53           HD1      TRP  53   4.060   5.168 -10.600
  433    HE1  TRP  53           HE1      TRP  53   3.284   7.590 -11.028
  434    HE3  TRP  53           HE3      TRP  53  -0.569   4.202 -12.541
  435    HZ2  TRP  53           HZ2      TRP  53   1.012   8.903 -12.056
  436    HZ3  TRP  53           HZ3      TRP  53  -1.982   6.097 -13.222
  437    HH2  TRP  53           HH2      TRP  53  -1.206   8.398 -12.983
  438    H    VAL  54           H        VAL  54   1.989   0.654  -8.585
  439    HA   VAL  54           HA       VAL  54   0.305  -1.189 -10.140
  440    HB   VAL  54           HB       VAL  54   2.599  -2.033  -8.369
  441   1HG1  VAL  54          1HG1      VAL  54   2.183  -4.242  -9.317
  442   2HG1  VAL  54          2HG1      VAL  54   0.872  -3.588 -10.302
  443   3HG1  VAL  54          3HG1      VAL  54   0.718  -3.619  -8.547
  444   1HG2  VAL  54          1HG2      VAL  54   2.436  -1.912 -11.384
  445   2HG2  VAL  54          2HG2      VAL  54   3.757  -2.619 -10.454
  446   3HG2  VAL  54          3HG2      VAL  54   3.440  -0.887 -10.359
  447    H    LEU  55           H        LEU  55   1.649  -1.223  -6.814
  448    HA   LEU  55           HA       LEU  55  -0.440  -2.723  -5.775
  449   1HB   LEU  55          1HB       LEU  55   1.662  -2.433  -4.587
  450   2HB   LEU  55          2HB       LEU  55   1.300  -0.737  -4.317
  451    HG   LEU  55           HG       LEU  55  -0.643  -1.386  -2.936
  452   1HD1  LEU  55          1HD1      LEU  55  -1.142  -3.525  -3.972
  453   2HD1  LEU  55          2HD1      LEU  55  -0.914  -3.703  -2.232
  454   3HD1  LEU  55          3HD1      LEU  55   0.365  -4.191  -3.344
  455   1HD2  LEU  55          1HD2      LEU  55   1.497  -0.945  -1.868
  456   2HD2  LEU  55          2HD2      LEU  55   1.959  -2.634  -2.079
  457   3HD2  LEU  55          3HD2      LEU  55   0.616  -2.214  -1.017
  458    H    ILE  56           H        ILE  56  -0.042   0.823  -5.478
  459    HA   ILE  56           HA       ILE  56  -2.423   1.217  -4.081
  460    HB   ILE  56           HB       ILE  56  -0.911   3.167  -5.816
  461   1HG1  ILE  56          1HG1      ILE  56  -1.018   2.785  -2.821
  462   2HG1  ILE  56          2HG1      ILE  56   0.302   2.266  -3.864
  463   1HG2  ILE  56          1HG2      ILE  56  -3.225   3.894  -5.609
  464   2HG2  ILE  56          2HG2      ILE  56  -2.158   4.927  -4.657
  465   3HG2  ILE  56          3HG2      ILE  56  -3.139   3.697  -3.857
  466   1HD1  ILE  56          1HD1      ILE  56   0.740   4.594  -4.456
  467   2HD1  ILE  56          2HD1      ILE  56   0.850   4.327  -2.716
  468   3HD1  ILE  56          3HD1      ILE  56  -0.576   5.108  -3.400
  469    HA   PRO  57           HA       PRO  57  -4.687   2.206  -8.299
  470   1HB   PRO  57          1HB       PRO  57  -2.953   0.717 -10.193
  471   2HB   PRO  57          2HB       PRO  57  -3.801   2.254 -10.409
  472   1HG   PRO  57          1HG       PRO  57  -1.171   2.215 -10.069
  473   2HG   PRO  57          2HG       PRO  57  -2.163   3.462  -9.286
  474   1HD   PRO  57          1HD       PRO  57  -0.981   0.967  -8.111
  475   2HD   PRO  57          2HD       PRO  57  -1.044   2.607  -7.441
  476    H    ARG  58           H        ARG  58  -2.854  -0.853  -8.072
  477    HA   ARG  58           HA       ARG  58  -4.909  -2.466  -9.146
  478   1HB   ARG  58          1HB       ARG  58  -2.437  -3.067  -8.829
  479   2HB   ARG  58          2HB       ARG  58  -2.884  -3.481  -7.178
  480   1HG   ARG  58          1HG       ARG  58  -4.383  -5.172  -7.923
  481   2HG   ARG  58          2HG       ARG  58  -4.220  -4.654  -9.602
  482   1HD   ARG  58          1HD       ARG  58  -1.771  -5.223  -9.410
  483   2HD   ARG  58          2HD       ARG  58  -2.154  -5.985  -7.866
  484    HE   ARG  58           HE       ARG  58  -3.910  -7.038  -9.739
  485   1HH1  ARG  58          1HH1      ARG  58  -0.448  -6.988  -9.208
  486   2HH1  ARG  58          2HH1      ARG  58  -0.174  -8.512  -9.999
  487   1HH2  ARG  58          1HH2      ARG  58  -3.556  -9.028 -10.777
  488   2HH2  ARG  58          2HH2      ARG  58  -1.945  -9.673 -10.895
  489    H    MET  59           H        MET  59  -4.109  -1.420  -5.885
  490    HA   MET  59           HA       MET  59  -6.107  -2.963  -4.575
  491   1HB   MET  59          1HB       MET  59  -4.518  -0.542  -3.773
  492   2HB   MET  59          2HB       MET  59  -5.802  -1.165  -2.747
  493   1HG   MET  59          1HG       MET  59  -3.387  -2.709  -3.664
  494   2HG   MET  59          2HG       MET  59  -3.606  -1.983  -2.072
  495   1HE   MET  59          1HE       MET  59  -2.845  -5.043  -2.476
  496   2HE   MET  59          2HE       MET  59  -3.923  -5.813  -1.309
  497   3HE   MET  59          3HE       MET  59  -3.101  -4.310  -0.893
  498    H    HIS  60           H        HIS  60  -6.076   0.246  -6.045
  499    HA   HIS  60           HA       HIS  60  -8.627   1.088  -5.230
  500   1HB   HIS  60          1HB       HIS  60  -6.913   1.682  -7.611
  501   2HB   HIS  60          2HB       HIS  60  -8.592   2.201  -7.630
  502    HD1  HIS  60           HD1      HIS  60  -9.271   4.096  -6.027
  503    HD2  HIS  60           HD2      HIS  60  -5.243   3.086  -5.855
  504    HE1  HIS  60           HE1      HIS  60  -8.158   5.965  -4.764
  505    HE2  HIS  60           HE2      HIS  60  -5.693   5.450  -4.898
  506    H    ASP  61           H        ASP  61  -7.590  -0.898  -7.957
  507    HA   ASP  61           HA       ASP  61 -10.151  -1.382  -9.038
  508   1HB   ASP  61          1HB       ASP  61  -8.137  -1.801 -10.330
  509   2HB   ASP  61          2HB       ASP  61  -7.608  -3.019  -9.175
  510    H    LEU  62           H        LEU  62  -8.198  -3.098  -6.646
  511    HA   LEU  62           HA       LEU  62  -9.948  -5.276  -6.260
  512   1HB   LEU  62          1HB       LEU  62  -7.610  -5.272  -5.505
  513   2HB   LEU  62          2HB       LEU  62  -7.990  -4.035  -4.323
  514    HG   LEU  62           HG       LEU  62  -9.574  -5.656  -3.247
  515   1HD1  LEU  62          1HD1      LEU  62  -9.312  -8.030  -3.778
  516   2HD1  LEU  62          2HD1      LEU  62  -8.256  -7.608  -5.126
  517   3HD1  LEU  62          3HD1      LEU  62  -9.950  -7.119  -5.147
  518   1HD2  LEU  62          1HD2      LEU  62  -6.683  -6.488  -3.422
  519   2HD2  LEU  62          2HD2      LEU  62  -7.817  -6.960  -2.155
  520   3HD2  LEU  62          3HD2      LEU  62  -7.354  -5.268  -2.340
  521    H    LEU  63           H        LEU  63  -9.733  -2.101  -4.731
  522    HA   LEU  63           HA       LEU  63 -11.752  -2.620  -2.785
  523   1HB   LEU  63          1HB       LEU  63 -10.630  -0.019  -3.821
  524   2HB   LEU  63          2HB       LEU  63 -11.722  -0.155  -2.456
  525    HG   LEU  63           HG       LEU  63  -8.958  -1.360  -2.600
  526   1HD1  LEU  63          1HD1      LEU  63  -8.889   1.064  -2.459
  527   2HD1  LEU  63          2HD1      LEU  63  -8.374   0.333  -0.939
  528   3HD1  LEU  63          3HD1      LEU  63  -9.989   1.028  -1.081
  529   1HD2  LEU  63          1HD2      LEU  63 -10.951  -1.234  -0.341
  530   2HD2  LEU  63          2HD2      LEU  63  -9.293  -1.825  -0.218
  531   3HD2  LEU  63          3HD2      LEU  63 -10.462  -2.681  -1.222
  532    H    ASP  64           H        ASP  64 -11.748  -1.283  -6.038
  533    HA   ASP  64           HA       ASP  64 -14.459  -0.487  -6.099
  534   1HB   ASP  64          1HB       ASP  64 -13.095   0.257  -7.897
  535   2HB   ASP  64          2HB       ASP  64 -12.564  -1.382  -8.273
  536    H    ASN  65           H        ASN  65 -12.860  -3.506  -7.066
  537    HA   ASN  65           HA       ASN  65 -15.237  -4.984  -7.511
  538   1HB   ASN  65          1HB       ASN  65 -12.393  -5.767  -6.889
  539   2HB   ASN  65          2HB       ASN  65 -13.660  -6.980  -7.026
  540   1HD2  ASN  65          1HD2      ASN  65 -13.725  -4.104  -8.993
  541   2HD2  ASN  65          2HD2      ASN  65 -13.326  -4.884 -10.486
  542    H    LYS  66           H        LYS  66 -13.602  -3.917  -4.741
  543    HA   LYS  66           HA       LYS  66 -14.164  -3.836  -2.574
  544   1HB   LYS  66          1HB       LYS  66 -16.613  -5.405  -3.393
  545   2HB   LYS  66          2HB       LYS  66 -16.354  -4.688  -1.804
  546   1HG   LYS  66          1HG       LYS  66 -16.375  -2.490  -2.691
  547   2HG   LYS  66          2HG       LYS  66 -16.308  -3.086  -4.347
  548   1HD   LYS  66          1HD       LYS  66 -18.551  -4.117  -3.986
  549   2HD   LYS  66          2HD       LYS  66 -18.606  -3.318  -2.411
  550   1HE   LYS  66          1HE       LYS  66 -19.803  -2.003  -4.074
  551   2HE   LYS  66          2HE       LYS  66 -18.372  -1.140  -3.513
  552   1HZ   LYS  66          1HZ       LYS  66 -17.219  -2.017  -5.537
  553   2HZ   LYS  66          2HZ       LYS  66 -18.458  -0.914  -5.858
  554   3HZ   LYS  66          3HZ       LYS  66 -18.721  -2.572  -6.093
  555    H    GLN  67           H        GLN  67 -15.452  -7.067  -3.229
  556    HA   GLN  67           HA       GLN  67 -14.693  -9.153  -2.738
  557   1HB   GLN  67          1HB       GLN  67 -11.985  -7.823  -2.497
  558   2HB   GLN  67          2HB       GLN  67 -12.283  -9.543  -2.704
  559   1HG   GLN  67          1HG       GLN  67 -13.061  -7.435  -4.704
  560   2HG   GLN  67          2HG       GLN  67 -11.570  -8.372  -4.769
  561   1HE2  GLN  67          1HE2      GLN  67 -11.636 -10.507  -5.376
  562   2HE2  GLN  67          2HE2      GLN  67 -13.043 -11.233  -6.085
  563    HA   PRO  68           HA       PRO  68 -14.328  -9.536   1.710
  564   1HB   PRO  68          1HB       PRO  68 -12.835 -12.030   1.453
  565   2HB   PRO  68          2HB       PRO  68 -14.487 -11.777   2.021
  566   1HG   PRO  68          1HG       PRO  68 -13.914 -13.006  -0.326
  567   2HG   PRO  68          2HG       PRO  68 -15.389 -12.053  -0.071
  568   1HD   PRO  68          1HD       PRO  68 -12.847 -11.282  -1.460
  569   2HD   PRO  68          2HD       PRO  68 -14.530 -10.951  -1.926
  570    H    LEU  69           H        LEU  69 -11.714  -9.226  -0.344
  571    HA   LEU  69           HA       LEU  69  -9.654  -8.321  -0.115
  572   1HB   LEU  69          1HB       LEU  69 -10.389  -8.093   2.802
  573   2HB   LEU  69          2HB       LEU  69  -8.927  -7.434   2.095
  574    HG   LEU  69           HG       LEU  69 -11.747  -6.607   1.402
  575   1HD1  LEU  69          1HD1      LEU  69  -9.574  -5.178   2.929
  576   2HD1  LEU  69          2HD1      LEU  69 -11.056  -5.849   3.610
  577   3HD1  LEU  69          3HD1      LEU  69 -11.138  -4.498   2.481
  578   1HD2  LEU  69          1HD2      LEU  69 -10.669  -4.837   0.091
  579   2HD2  LEU  69          2HD2      LEU  69 -10.273  -6.441  -0.525
  580   3HD2  LEU  69          3HD2      LEU  69  -9.093  -5.548   0.436
  581    HA   PRO  70           HA       PRO  70  -7.079 -11.781   0.932
  582   1HB   PRO  70          1HB       PRO  70  -4.649 -10.547   0.889
  583   2HB   PRO  70          2HB       PRO  70  -5.534 -10.996  -0.573
  584   1HG   PRO  70          1HG       PRO  70  -5.304  -8.334   0.765
  585   2HG   PRO  70          2HG       PRO  70  -5.305  -8.725  -0.964
  586   1HD   PRO  70          1HD       PRO  70  -7.481  -7.751   0.354
  587   2HD   PRO  70          2HD       PRO  70  -7.597  -8.806  -1.068
  588    H    GLY  71           H        GLY  71  -7.435 -12.386   3.001
  589   1HA   GLY  71          1HA       GLY  71  -6.999 -10.587   5.204
  590   2HA   GLY  71          2HA       GLY  71  -7.577 -12.241   5.306
  591    H    ALA  72           H        ALA  72  -4.748 -12.026   3.497
  592    HA   ALA  72           HA       ALA  72  -3.031 -12.444   5.840
  593   1HB   ALA  72          1HB       ALA  72  -3.675 -14.655   5.006
  594   2HB   ALA  72          2HB       ALA  72  -1.957 -14.354   4.748
  595   3HB   ALA  72          3HB       ALA  72  -3.085 -14.226   3.400
  596    H    PHE  73           H        PHE  73  -3.472 -10.224   3.958
  597    HA   PHE  73           HA       PHE  73  -1.097 -10.197   2.289
  598   1HB   PHE  73          1HB       PHE  73  -3.278  -9.283   1.476
  599   2HB   PHE  73          2HB       PHE  73  -3.155  -8.019   2.692
  600    HD1  PHE  73           HD2      PHE  73  -1.651  -9.372  -0.384
  601    HD2  PHE  73           HD1      PHE  73  -1.764  -6.124   2.366
  602    HE1  PHE  73           HE2      PHE  73  -0.349  -7.999  -1.956
  603    HE2  PHE  73           HE1      PHE  73  -0.461  -4.746   0.798
  604    HZ   PHE  73           HZ       PHE  73   0.248  -5.685  -1.367
  605    H    ALA  74           H        ALA  74   0.720  -9.916   3.415
  606    HA   ALA  74           HA       ALA  74   0.945  -7.466   5.016
  607   1HB   ALA  74          1HB       ALA  74   1.987 -10.159   5.895
  608   2HB   ALA  74          2HB       ALA  74   0.621  -9.298   6.607
  609   3HB   ALA  74          3HB       ALA  74   2.247  -8.625   6.726
  610    H    VAL  75           H        VAL  75   2.325  -6.307   3.850
  611    HA   VAL  75           HA       VAL  75   4.526  -7.692   2.483
  612    HB   VAL  75           HB       VAL  75   4.739  -5.613   1.128
  613   1HG1  VAL  75          1HG1      VAL  75   3.495  -7.534   0.302
  614   2HG1  VAL  75          2HG1      VAL  75   2.756  -6.027  -0.240
  615   3HG1  VAL  75          3HG1      VAL  75   2.032  -6.938   1.085
  616   1HG2  VAL  75          1HG2      VAL  75   2.893  -3.996   1.157
  617   2HG2  VAL  75          2HG2      VAL  75   3.746  -4.033   2.700
  618   3HG2  VAL  75          3HG2      VAL  75   2.184  -4.835   2.536
  619    H    ALA  76           H        ALA  76   3.968  -5.952   5.246
  620    HA   ALA  76           HA       ALA  76   6.133  -4.213   5.417
  621   1HB   ALA  76          1HB       ALA  76   4.939  -5.810   7.677
  622   2HB   ALA  76          2HB       ALA  76   4.322  -4.278   7.062
  623   3HB   ALA  76          3HB       ALA  76   5.911  -4.346   7.824
  624    HA   PRO  77           HA       PRO  77   8.838  -7.918   7.129
  625   1HB   PRO  77          1HB       PRO  77   7.524 -10.211   5.798
  626   2HB   PRO  77          2HB       PRO  77   8.202 -10.093   7.425
  627   1HG   PRO  77          1HG       PRO  77   5.564 -10.152   7.039
  628   2HG   PRO  77          2HG       PRO  77   6.286  -9.132   8.298
  629   1HD   PRO  77          1HD       PRO  77   5.255  -8.364   5.593
  630   2HD   PRO  77          2HD       PRO  77   5.079  -7.525   7.145
  631    H    TYR  78           H        TYR  78   7.296  -7.800   4.000
  632    HA   TYR  78           HA       TYR  78   9.525  -8.899   2.562
  633   1HB   TYR  78          1HB       TYR  78   7.298  -9.083   1.601
  634   2HB   TYR  78          2HB       TYR  78   7.115  -7.332   1.607
  635    HD1  TYR  78           HD1      TYR  78   9.087 -10.101   0.108
  636    HD2  TYR  78           HD2      TYR  78   7.848  -6.042  -0.223
  637    HE1  TYR  78           HE1      TYR  78  10.040  -9.999  -2.156
  638    HE2  TYR  78           HE2      TYR  78   8.797  -5.931  -2.489
  639    HH   TYR  78           HH       TYR  78  10.502  -7.083  -3.829
  640    H    TYR  79           H        TYR  79   8.245  -5.646   3.162
  641    HA   TYR  79           HA       TYR  79  10.377  -4.390   1.718
  642   1HB   TYR  79          1HB       TYR  79   8.103  -3.391   3.382
  643   2HB   TYR  79          2HB       TYR  79   9.425  -2.301   2.965
  644    HD1  TYR  79           HD1      TYR  79   6.591  -4.232   1.664
  645    HD2  TYR  79           HD2      TYR  79   9.803  -1.622   0.675
  646    HE1  TYR  79           HE1      TYR  79   5.594  -3.849  -0.553
  647    HE2  TYR  79           HE2      TYR  79   8.813  -1.228  -1.538
  648    HH   TYR  79           HH       TYR  79   7.278  -2.395  -3.095
  649    H    GLU  80           H        GLU  80  10.012  -5.589   4.898
  650    HA   GLU  80           HA       GLU  80  12.073  -4.139   6.160
  651   1HB   GLU  80          1HB       GLU  80  10.534  -5.651   7.362
  652   2HB   GLU  80          2HB       GLU  80  11.259  -7.030   6.549
  653   1HG   GLU  80          1HG       GLU  80  13.385  -6.573   7.641
  654   2HG   GLU  80          2HG       GLU  80  12.681  -5.164   8.435
  655    H    MET  81           H        MET  81  12.021  -6.760   3.878
  656    HA   MET  81           HA       MET  81  14.897  -7.161   3.952
  657   1HB   MET  81          1HB       MET  81  12.737  -8.299   2.171
  658   2HB   MET  81          2HB       MET  81  14.432  -8.748   2.083
  659   1HG   MET  81          1HG       MET  81  14.359  -9.721   4.260
  660   2HG   MET  81          2HG       MET  81  12.728  -9.103   4.532
  661   1HE   MET  81          1HE       MET  81  13.526 -12.124   1.143
  662   2HE   MET  81          2HE       MET  81  14.843 -11.408   2.072
  663   3HE   MET  81          3HE       MET  81  13.824 -10.386   1.055
  664    H    ALA  82           H        ALA  82  12.436  -5.769   1.856
  665    HA   ALA  82           HA       ALA  82  14.128  -5.222  -0.337
  666   1HB   ALA  82          1HB       ALA  82  11.680  -5.381  -0.510
  667   2HB   ALA  82          2HB       ALA  82  12.302  -3.877  -1.188
  668   3HB   ALA  82          3HB       ALA  82  11.532  -3.877   0.399
  669    H    LEU  83           H        LEU  83  12.933  -3.162   2.308
  670    HA   LEU  83           HA       LEU  83  14.649  -0.978   1.452
  671   1HB   LEU  83          1HB       LEU  83  12.833  -1.214   3.856
  672   2HB   LEU  83          2HB       LEU  83  13.668   0.241   3.348
  673    HG   LEU  83           HG       LEU  83  11.542  -1.174   1.737
  674   1HD1  LEU  83          1HD1      LEU  83  10.120   0.724   2.343
  675   2HD1  LEU  83          2HD1      LEU  83  11.392   1.337   3.399
  676   3HD1  LEU  83          3HD1      LEU  83  10.612  -0.204   3.760
  677   1HD2  LEU  83          1HD2      LEU  83  13.149   0.043   0.359
  678   2HD2  LEU  83          2HD2      LEU  83  12.898   1.491   1.334
  679   3HD2  LEU  83          3HD2      LEU  83  11.578   0.844   0.361
  680    H    ALA  84           H        ALA  84  16.723  -1.389   1.846
  681    HA   ALA  84           HA       ALA  84  17.585  -2.794   4.218
  682   1HB   ALA  84          1HB       ALA  84  18.641  -3.144   2.009
  683   2HB   ALA  84          2HB       ALA  84  19.788  -2.661   3.257
  684   3HB   ALA  84          3HB       ALA  84  19.235  -1.485   2.065
  685    H    THR  85           H        THR  85  20.047  -1.421   4.570
  686    HA   THR  85           HA       THR  85  19.249   0.445   6.541
  687    HB   THR  85           HB       THR  85  22.055   0.600   5.802
  688    HG1  THR  85           HG1      THR  85  22.427  -1.460   5.430
  689   1HG2  THR  85          1HG2      THR  85  21.162   1.150   8.011
  690   2HG2  THR  85          2HG2      THR  85  22.323  -0.174   8.119
  691   3HG2  THR  85          3HG2      THR  85  20.592  -0.509   8.200
  692    H    ASP  86           H        ASP  86  19.874   0.753   3.207
  693    HA   ASP  86           HA       ASP  86  20.594   3.553   3.285
  694   1HB   ASP  86          1HB       ASP  86  21.300   1.843   1.484
  695   2HB   ASP  86          2HB       ASP  86  19.670   2.027   0.847
  696    H    HIS  87           H        HIS  87  19.121   4.890   1.562
  697    HA   HIS  87           HA       HIS  87  17.180   6.001   1.231
  698   1HB   HIS  87          1HB       HIS  87  16.028   4.074   0.500
  699   2HB   HIS  87          2HB       HIS  87  16.006   3.364   2.110
  700    HD1  HIS  87           HD1      HIS  87  14.276   5.959   0.000
  701    HD2  HIS  87           HD2      HIS  87  13.890   4.146   3.724
  702    HE1  HIS  87           HE1      HIS  87  12.036   6.690   0.887
  703    HE2  HIS  87           HE2      HIS  87  11.978   5.813   3.251
  704    HA   PRO  88           HA       PRO  88  16.850   7.874   5.265
  705   1HB   PRO  88          1HB       PRO  88  15.327   9.990   4.434
  706   2HB   PRO  88          2HB       PRO  88  17.083   9.913   4.258
  707   1HG   PRO  88          1HG       PRO  88  14.951   9.350   2.240
  708   2HG   PRO  88          2HG       PRO  88  16.487  10.213   2.038
  709   1HD   PRO  88          1HD       PRO  88  16.153   7.655   1.242
  710   2HD   PRO  88          2HD       PRO  88  17.703   8.263   1.857
  711    H    GLN  89           H        GLN  89  15.537   7.042   6.713
  712    HA   GLN  89           HA       GLN  89  13.687   6.524   7.909
  713   1HB   GLN  89          1HB       GLN  89  12.178   8.254   5.941
  714   2HB   GLN  89          2HB       GLN  89  11.618   7.747   7.529
  715   1HG   GLN  89          1HG       GLN  89  13.400   9.023   8.582
  716   2HG   GLN  89          2HG       GLN  89  14.002   9.505   6.998
  717   1HE2  GLN  89          1HE2      GLN  89  13.123  11.179   9.175
  718   2HE2  GLN  89          2HE2      GLN  89  11.801  12.123   8.569
  719    H    ARG  90           H        ARG  90  13.899   4.341   7.262
  720    HA   ARG  90           HA       ARG  90  12.218   3.386   5.090
  721   1HB   ARG  90          1HB       ARG  90  13.114   1.167   5.630
  722   2HB   ARG  90          2HB       ARG  90  14.412   2.336   5.436
  723   1HG   ARG  90          1HG       ARG  90  14.471   2.551   7.929
  724   2HG   ARG  90          2HG       ARG  90  13.340   1.204   8.007
  725   1HD   ARG  90          1HD       ARG  90  16.045   1.092   6.677
  726   2HD   ARG  90          2HD       ARG  90  15.723   0.552   8.321
  727    HE   ARG  90           HE       ARG  90  14.728  -0.707   5.858
  728   1HH1  ARG  90          1HH1      ARG  90  15.214  -0.804   9.326
  729   2HH1  ARG  90          2HH1      ARG  90  14.987  -2.526   9.435
  730   1HH2  ARG  90          1HH2      ARG  90  14.454  -2.970   6.004
  731   2HH2  ARG  90          2HH2      ARG  90  14.548  -3.746   7.556
  732    H    ALA  91           H        ALA  91  12.134   3.731   8.533
  733    HA   ALA  91           HA       ALA  91  10.230   1.730   9.127
  734   1HB   ALA  91          1HB       ALA  91  10.847   4.245  10.664
  735   2HB   ALA  91          2HB       ALA  91  11.719   2.717  10.801
  736   3HB   ALA  91          3HB       ALA  91  10.025   2.814  11.285
  737    H    LEU  92           H        LEU  92   9.876   5.112   8.169
  738    HA   LEU  92           HA       LEU  92   7.175   5.417   8.874
  739   1HB   LEU  92          1HB       LEU  92   8.763   6.743   6.678
  740   2HB   LEU  92          2HB       LEU  92   7.138   7.220   7.131
  741    HG   LEU  92           HG       LEU  92   9.612   7.387   8.853
  742   1HD1  LEU  92          1HD1      LEU  92   7.800   9.504   7.702
  743   2HD1  LEU  92          2HD1      LEU  92   9.434   9.125   7.157
  744   3HD1  LEU  92          3HD1      LEU  92   9.174   9.789   8.771
  745   1HD2  LEU  92          1HD2      LEU  92   6.754   8.076   9.537
  746   2HD2  LEU  92          2HD2      LEU  92   8.166   8.399  10.543
  747   3HD2  LEU  92          3HD2      LEU  92   7.685   6.736  10.205
  748    H    ILE  93           H        ILE  93   8.677   4.123   5.963
  749    HA   ILE  93           HA       ILE  93   6.270   3.791   4.498
  750    HB   ILE  93           HB       ILE  93   8.847   2.223   4.252
  751   1HG1  ILE  93          1HG1      ILE  93   7.899   4.698   2.789
  752   2HG1  ILE  93          2HG1      ILE  93   9.191   4.642   3.982
  753   1HG2  ILE  93          1HG2      ILE  93   6.566   2.576   2.308
  754   2HG2  ILE  93          2HG2      ILE  93   6.966   1.100   3.186
  755   3HG2  ILE  93          3HG2      ILE  93   8.081   1.735   1.974
  756   1HD1  ILE  93          1HD1      ILE  93  10.070   4.738   1.723
  757   2HD1  ILE  93          2HD1      ILE  93   9.198   3.263   1.308
  758   3HD1  ILE  93          3HD1      ILE  93  10.498   3.214   2.500
  759    H    LEU  94           H        LEU  94   8.153   1.688   6.630
  760    HA   LEU  94           HA       LEU  94   6.577  -0.619   6.412
  761   1HB   LEU  94          1HB       LEU  94   8.182   0.370   8.773
  762   2HB   LEU  94          2HB       LEU  94   7.557  -1.258   8.591
  763    HG   LEU  94           HG       LEU  94   9.591   0.029   6.766
  764   1HD1  LEU  94          1HD1      LEU  94  11.178  -1.520   7.800
  765   2HD1  LEU  94          2HD1      LEU  94   9.924  -2.055   8.919
  766   3HD1  LEU  94          3HD1      LEU  94  10.508  -0.393   8.979
  767   1HD2  LEU  94          1HD2      LEU  94   9.851  -2.229   5.858
  768   2HD2  LEU  94          2HD2      LEU  94   8.213  -1.622   5.622
  769   3HD2  LEU  94          3HD2      LEU  94   8.544  -2.797   6.895
  770    H    ALA  95           H        ALA  95   6.291   2.217   8.492
  771    HA   ALA  95           HA       ALA  95   4.265   1.327  10.196
  772   1HB   ALA  95          1HB       ALA  95   3.786   3.676  10.608
  773   2HB   ALA  95          2HB       ALA  95   4.697   4.133   9.168
  774   3HB   ALA  95          3HB       ALA  95   5.527   3.404  10.543
  775    H    GLU  96           H        GLU  96   4.026   2.977   7.056
  776    HA   GLU  96           HA       GLU  96   1.212   2.988   6.914
  777   1HB   GLU  96          1HB       GLU  96   3.361   3.069   4.804
  778   2HB   GLU  96          2HB       GLU  96   1.650   3.122   4.395
  779   1HG   GLU  96          1HG       GLU  96   2.991   5.078   6.244
  780   2HG   GLU  96          2HG       GLU  96   2.771   5.344   4.517
  781    H    LEU  97           H        LEU  97   3.613   0.620   5.868
  782    HA   LEU  97           HA       LEU  97   1.843  -1.122   4.537
  783   1HB   LEU  97          1HB       LEU  97   4.418  -1.802   5.955
  784   2HB   LEU  97          2HB       LEU  97   3.615  -2.788   4.748
  785    HG   LEU  97           HG       LEU  97   4.801  -0.056   4.255
  786   1HD1  LEU  97          1HD1      LEU  97   6.513  -1.716   4.686
  787   2HD1  LEU  97          2HD1      LEU  97   6.494  -1.276   2.977
  788   3HD1  LEU  97          3HD1      LEU  97   5.782  -2.801   3.503
  789   1HD2  LEU  97          1HD2      LEU  97   2.892  -0.532   2.809
  790   2HD2  LEU  97          2HD2      LEU  97   3.622  -2.068   2.342
  791   3HD2  LEU  97          3HD2      LEU  97   4.403  -0.551   1.900
  792    H    GLU  98           H        GLU  98   3.000  -1.053   7.888
  793    HA   GLU  98           HA       GLU  98   1.639  -3.342   8.802
  794   1HB   GLU  98          1HB       GLU  98   2.471  -0.825  10.253
  795   2HB   GLU  98          2HB       GLU  98   1.837  -2.252  11.059
  796   1HG   GLU  98          1HG       GLU  98   3.720  -3.560  10.291
  797   2HG   GLU  98          2HG       GLU  98   4.338  -2.176   9.387
  798    H    LYS  99           H        LYS  99   0.671   0.004   8.453
  799    HA   LYS  99           HA       LYS  99  -1.755  -0.127   9.884
  800   1HB   LYS  99          1HB       LYS  99  -0.433   1.923   9.083
  801   2HB   LYS  99          2HB       LYS  99  -1.225   1.681   7.533
  802   1HG   LYS  99          1HG       LYS  99  -3.392   1.984   8.557
  803   2HG   LYS  99          2HG       LYS  99  -2.644   2.137  10.148
  804   1HD   LYS  99          1HD       LYS  99  -2.327   3.998   7.797
  805   2HD   LYS  99          2HD       LYS  99  -3.156   4.335   9.318
  806   1HE   LYS  99          1HE       LYS  99  -0.206   3.871   8.916
  807   2HE   LYS  99          2HE       LYS  99  -0.991   5.392   9.332
  808   1HZ   LYS  99          1HZ       LYS  99  -1.771   4.215  11.408
  809   2HZ   LYS  99          2HZ       LYS  99  -0.113   4.556  11.316
  810   3HZ   LYS  99          3HZ       LYS  99  -0.669   2.981  11.026
  811    H    LEU 100           H        LEU 100  -0.997  -0.463   6.441
  812    HA   LEU 100           HA       LEU 100  -3.626  -0.928   5.549
  813   1HB   LEU 100          1HB       LEU 100  -1.664  -0.320   4.125
  814   2HB   LEU 100          2HB       LEU 100  -1.055  -1.948   4.344
  815    HG   LEU 100           HG       LEU 100  -3.073  -2.833   3.220
  816   1HD1  LEU 100          1HD1      LEU 100  -4.545  -1.294   2.022
  817   2HD1  LEU 100          2HD1      LEU 100  -3.695   0.078   2.733
  818   3HD1  LEU 100          3HD1      LEU 100  -4.612  -1.021   3.763
  819   1HD2  LEU 100          1HD2      LEU 100  -1.041  -2.440   1.942
  820   2HD2  LEU 100          2HD2      LEU 100  -1.525  -0.769   1.656
  821   3HD2  LEU 100          3HD2      LEU 100  -2.466  -2.090   0.963
  822    H    ASP 101           H        ASP 101  -1.047  -3.106   6.575
  823    HA   ASP 101           HA       ASP 101  -2.268  -5.560   6.057
  824   1HB   ASP 101          1HB       ASP 101   0.032  -5.558   6.617
  825   2HB   ASP 101          2HB       ASP 101  -0.252  -4.686   8.118
  826    H    ALA 102           H        ALA 102  -2.506  -3.443   8.878
  827    HA   ALA 102           HA       ALA 102  -4.015  -5.182  10.507
  828   1HB   ALA 102          1HB       ALA 102  -2.831  -3.219  11.373
  829   2HB   ALA 102          2HB       ALA 102  -4.534  -3.206  11.830
  830   3HB   ALA 102          3HB       ALA 102  -3.963  -2.165  10.526
  831    H    LEU 103           H        LEU 103  -4.910  -2.982   7.941
  832    HA   LEU 103           HA       LEU 103  -7.693  -2.908   8.497
  833   1HB   LEU 103          1HB       LEU 103  -6.219  -2.457   5.899
  834   2HB   LEU 103          2HB       LEU 103  -7.910  -2.083   6.171
  835    HG   LEU 103           HG       LEU 103  -5.575  -0.793   7.588
  836   1HD1  LEU 103          1HD1      LEU 103  -7.435   0.269   5.468
  837   2HD1  LEU 103          2HD1      LEU 103  -5.725  -0.113   5.263
  838   3HD1  LEU 103          3HD1      LEU 103  -6.212   1.205   6.329
  839   1HD2  LEU 103          1HD2      LEU 103  -7.548  -0.928   9.015
  840   2HD2  LEU 103          2HD2      LEU 103  -8.530  -0.206   7.740
  841   3HD2  LEU 103          3HD2      LEU 103  -7.249   0.734   8.506
  842    H    PHE 104           H        PHE 104  -5.670  -4.962   6.440
  843    HA   PHE 104           HA       PHE 104  -7.895  -6.470   5.428
  844   1HB   PHE 104          1HB       PHE 104  -4.931  -7.080   5.404
  845   2HB   PHE 104          2HB       PHE 104  -6.153  -8.015   4.548
  846    HD1  PHE 104           HD2      PHE 104  -7.779  -6.361   3.093
  847    HD2  PHE 104           HD1      PHE 104  -3.702  -5.673   4.100
  848    HE1  PHE 104           HE2      PHE 104  -7.555  -4.867   1.149
  849    HE2  PHE 104           HE1      PHE 104  -3.472  -4.178   2.161
  850    HZ   PHE 104           HZ       PHE 104  -5.400  -3.774   0.683
  851    H    ALA 105           H        ALA 105  -6.165  -6.475   8.332
  852    HA   ALA 105           HA       ALA 105  -6.259  -9.280   8.875
  853   1HB   ALA 105          1HB       ALA 105  -5.460  -8.682  11.090
  854   2HB   ALA 105          2HB       ALA 105  -5.784  -6.980  10.761
  855   3HB   ALA 105          3HB       ALA 105  -4.544  -7.834   9.844
  856    H    ASP 106           H        ASP 106  -8.318  -6.520   9.677
  857    HA   ASP 106           HA       ASP 106 -10.283  -8.387  10.775
  858   1HB   ASP 106          1HB       ASP 106  -9.023  -7.654  12.722
  859   2HB   ASP 106          2HB       ASP 106  -9.253  -5.968  12.269
  860    H    ASP 107           H        ASP 107 -12.130  -8.030   9.811
  861    HA   ASP 107           HA       ASP 107 -12.910  -5.264   9.182
  862   1HB   ASP 107          1HB       ASP 107 -12.432  -6.476   7.103
  863   2HB   ASP 107          2HB       ASP 107 -13.540  -7.760   7.579
  864    H    ALA 108           H        ALA 108 -15.293  -4.965   9.111
  865    HA   ALA 108           HA       ALA 108 -16.378  -5.919  11.566
  866   1HB   ALA 108          1HB       ALA 108 -18.255  -4.466  11.079
  867   2HB   ALA 108          2HB       ALA 108 -17.697  -4.269   9.418
  868   3HB   ALA 108          3HB       ALA 108 -16.733  -3.635  10.752
  869    H    SER 109           H        SER 109 -16.384  -7.282   8.486
  870    HA   SER 109           HA       SER 109 -19.011  -8.466   8.633
  871   1HB   SER 109          1HB       SER 109 -18.201  -9.794   6.654
  872   2HB   SER 109          2HB       SER 109 -18.115  -8.045   6.442
  873    HG   SER 109           HG       SER 109 -15.962  -8.098   6.581
  874    H    LEU 110           H        LEU 110 -16.136  -9.055  10.198
  875    HA   LEU 110           HA       LEU 110 -16.715 -11.928  10.486
  876   1HB   LEU 110          1HB       LEU 110 -14.117 -10.450  10.912
  877   2HB   LEU 110          2HB       LEU 110 -14.358 -12.164  11.187
  878    HG   LEU 110           HG       LEU 110 -14.593 -10.789   8.507
  879   1HD1  LEU 110          1HD1      LEU 110 -12.511 -11.931   7.966
  880   2HD1  LEU 110          2HD1      LEU 110 -12.425 -12.569   9.607
  881   3HD1  LEU 110          3HD1      LEU 110 -12.296 -10.832   9.329
  882   1HD2  LEU 110          1HD2      LEU 110 -14.667 -13.711   9.252
  883   2HD2  LEU 110          2HD2      LEU 110 -14.676 -13.063   7.611
  884   3HD2  LEU 110          3HD2      LEU 110 -16.034 -12.747   8.692
  885    H    GLU 111           H        GLU 111 -16.814 -12.826  12.510
  886    HA   GLU 111           HA       GLU 111 -17.469 -11.171  14.736
  887   1HB   GLU 111          1HB       GLU 111 -16.830 -14.129  14.581
  888   2HB   GLU 111          2HB       GLU 111 -17.500 -13.319  15.989
  889   1HG   GLU 111          1HG       GLU 111 -19.554 -12.960  14.957
  890   2HG   GLU 111          2HG       GLU 111 -18.894 -13.226  13.343
  891    H    HIS 112           H        HIS 112 -16.188 -10.527  16.436
  892    HA   HIS 112           HA       HIS 112 -13.351 -10.633  16.035
  893   1HB   HIS 112          1HB       HIS 112 -14.995  -9.572  18.342
  894   2HB   HIS 112          2HB       HIS 112 -13.243  -9.422  18.228
  895    HD1  HIS 112           HD1      HIS 112 -12.364  -8.012  16.103
  896    HD2  HIS 112           HD2      HIS 112 -16.397  -7.608  17.046
  897    HE1  HIS 112           HE1      HIS 112 -13.133  -5.933  14.919
  898    HE2  HIS 112           HE2      HIS 112 -15.528  -5.619  15.628
  899    H    HIS 113           H        HIS 113 -15.481 -11.862  18.622
  900    HA   HIS 113           HA       HIS 113 -13.504 -13.902  19.245
  901   1HB   HIS 113          1HB       HIS 113 -16.146 -13.122  20.447
  902   2HB   HIS 113          2HB       HIS 113 -15.439 -14.696  20.810
  903    HD1  HIS 113           HD1      HIS 113 -14.964 -14.151  23.269
  904    HD2  HIS 113           HD2      HIS 113 -13.176 -11.510  20.598
  905    HE1  HIS 113           HE1      HIS 113 -13.321 -12.817  24.626
  906    HE2  HIS 113           HE2      HIS 113 -12.090 -11.404  22.941
  907    H    HIS 114           H        HIS 114 -13.339 -15.493  17.861
  908    HA   HIS 114           HA       HIS 114 -15.364 -15.978  15.904
  909   1HB   HIS 114          1HB       HIS 114 -12.786 -17.472  16.427
  910   2HB   HIS 114          2HB       HIS 114 -13.789 -17.627  14.990
  911    HD1  HIS 114           HD1      HIS 114 -10.884 -15.923  16.186
  912    HD2  HIS 114           HD2      HIS 114 -13.995 -14.969  13.598
  913    HE1  HIS 114           HE1      HIS 114 -10.068 -13.965  14.836
  914    HE2  HIS 114           HE2      HIS 114 -12.041 -13.277  13.429
  915    H    HIS 115           H        HIS 115 -16.112 -18.156  15.354
  916    HA   HIS 115           HA       HIS 115 -16.494 -19.887  17.703
  917   1HB   HIS 115          1HB       HIS 115 -18.627 -18.850  15.832
  918   2HB   HIS 115          2HB       HIS 115 -18.864 -20.267  16.847
  919    HD1  HIS 115           HD1      HIS 115 -19.204 -16.647  16.853
  920    HD2  HIS 115           HD2      HIS 115 -18.621 -19.629  19.704
  921    HE1  HIS 115           HE1      HIS 115 -19.846 -15.623  19.059
  922    HE2  HIS 115           HE2      HIS 115 -19.640 -17.490  20.741
  923    H    HIS 116           H        HIS 116 -17.116 -22.075  17.139
  924    HA   HIS 116           HA       HIS 116 -16.245 -22.828  14.428
  925   1HB   HIS 116          1HB       HIS 116 -15.899 -24.115  17.084
  926   2HB   HIS 116          2HB       HIS 116 -16.173 -25.183  15.712
  927    HD1  HIS 116           HD1      HIS 116 -13.620 -22.931  17.239
  928    HD2  HIS 116           HD2      HIS 116 -14.107 -25.204  13.782
  929    HE1  HIS 116           HE1      HIS 116 -11.337 -23.087  16.196
  930    HE2  HIS 116           HE2      HIS 116 -11.679 -24.338  14.033
  931    H    HIS 117           H        HIS 117 -18.773 -23.018  16.803
  932    HA   HIS 117           HA       HIS 117 -20.749 -23.561  14.859
  933   1HB   HIS 117          1HB       HIS 117 -19.710 -25.855  15.106
  934   2HB   HIS 117          2HB       HIS 117 -20.253 -25.848  16.780
  935    HD1  HIS 117           HD1      HIS 117 -22.663 -26.467  17.223
  936    HD2  HIS 117           HD2      HIS 117 -21.832 -25.948  13.180
  937    HE1  HIS 117           HE1      HIS 117 -24.690 -27.310  16.002
  938    HE2  HIS 117           HE2      HIS 117 -24.231 -26.854  13.563
  Start of MODEL   16
    1   1H    MET   1          1H        MET   1 -18.108  -5.162   6.692
    2   2H    MET   1          2H        MET   1 -17.717  -3.674   7.394
    3   3H    MET   1          3H        MET   1 -16.514  -4.597   6.643
    4    HA   MET   1           HA       MET   1 -17.560  -4.320   4.507
    5   1HB   MET   1          1HB       MET   1 -19.475  -2.521   6.007
    6   2HB   MET   1          2HB       MET   1 -19.430  -2.748   4.265
    7   1HG   MET   1          1HG       MET   1 -20.059  -5.078   4.532
    8   2HG   MET   1          2HG       MET   1 -20.054  -4.889   6.285
    9   1HE   MET   1          1HE       MET   1 -23.859  -5.244   5.618
   10   2HE   MET   1          2HE       MET   1 -22.487  -5.776   6.591
   11   3HE   MET   1          3HE       MET   1 -22.529  -6.123   4.863
   12    H    THR   2           H        THR   2 -17.192  -1.919   7.082
   13    HA   THR   2           HA       THR   2 -16.501   0.197   5.279
   14    HB   THR   2           HB       THR   2 -16.013   0.299   8.238
   15    HG1  THR   2           HG1      THR   2 -18.079  -0.033   8.626
   16   1HG2  THR   2          1HG2      THR   2 -15.496   2.272   6.869
   17   2HG2  THR   2          2HG2      THR   2 -16.849   2.590   7.955
   18   3HG2  THR   2          3HG2      THR   2 -17.145   2.274   6.245
   19    H    THR   3           H        THR   3 -14.746  -2.406   6.207
   20    HA   THR   3           HA       THR   3 -12.236  -1.218   6.828
   21    HB   THR   3           HB       THR   3 -12.845  -3.982   5.761
   22    HG1  THR   3           HG1      THR   3 -12.132  -3.623   8.426
   23   1HG2  THR   3          1HG2      THR   3 -10.502  -3.352   5.437
   24   2HG2  THR   3          2HG2      THR   3 -10.666  -4.602   6.671
   25   3HG2  THR   3          3HG2      THR   3 -10.378  -2.929   7.144
   26    H    HIS   4           H        HIS   4 -13.898  -2.034   3.861
   27    HA   HIS   4           HA       HIS   4 -11.800  -1.855   2.022
   28   1HB   HIS   4          1HB       HIS   4 -14.672  -0.950   1.785
   29   2HB   HIS   4          2HB       HIS   4 -13.544  -0.944   0.436
   30    HD1  HIS   4           HD1      HIS   4 -16.256  -2.765   1.358
   31    HD2  HIS   4           HD2      HIS   4 -12.338  -3.884   0.522
   32    HE1  HIS   4           HE1      HIS   4 -16.368  -5.190   0.682
   33    HE2  HIS   4           HE2      HIS   4 -14.031  -5.737  -0.091
   34    H    ASP   5           H        ASP   5 -13.836   0.619   3.447
   35    HA   ASP   5           HA       ASP   5 -12.849   2.862   2.124
   36   1HB   ASP   5          1HB       ASP   5 -13.970   2.669   4.933
   37   2HB   ASP   5          2HB       ASP   5 -13.847   4.138   3.971
   38    H    ARG   6           H        ARG   6 -11.722   1.173   4.993
   39    HA   ARG   6           HA       ARG   6  -9.842   3.025   5.930
   40   1HB   ARG   6          1HB       ARG   6  -9.654   0.009   5.981
   41   2HB   ARG   6          2HB       ARG   6  -8.689   1.104   6.954
   42   1HG   ARG   6          1HG       ARG   6 -10.817   1.899   8.006
   43   2HG   ARG   6          2HG       ARG   6 -11.643   0.590   7.150
   44   1HD   ARG   6          1HD       ARG   6 -10.134  -1.032   8.221
   45   2HD   ARG   6          2HD       ARG   6  -9.363   0.281   9.105
   46    HE   ARG   6           HE       ARG   6 -11.892  -0.971   9.679
   47   1HH1  ARG   6          1HH1      ARG   6  -9.925   1.898  10.149
   48   2HH1  ARG   6          2HH1      ARG   6 -10.738   2.360  11.619
   49   1HH2  ARG   6          1HH2      ARG   6 -12.913  -0.393  11.616
   50   2HH2  ARG   6          2HH2      ARG   6 -12.421   1.048  12.467
   51    H    VAL   7           H        VAL   7  -9.410   0.268   3.743
   52    HA   VAL   7           HA       VAL   7  -6.661   0.592   3.347
   53    HB   VAL   7           HB       VAL   7  -8.638  -0.646   1.424
   54   1HG1  VAL   7          1HG1      VAL   7  -6.725  -1.971   0.658
   55   2HG1  VAL   7          2HG1      VAL   7  -5.668  -1.076   1.748
   56   3HG1  VAL   7          3HG1      VAL   7  -6.461  -0.245   0.409
   57   1HG2  VAL   7          1HG2      VAL   7  -8.864  -1.621   3.638
   58   2HG2  VAL   7          2HG2      VAL   7  -7.123  -1.896   3.715
   59   3HG2  VAL   7          3HG2      VAL   7  -8.103  -2.768   2.535
   60    H    ARG   8           H        ARG   8  -9.424   1.984   1.650
   61    HA   ARG   8           HA       ARG   8  -7.939   2.976  -0.549
   62   1HB   ARG   8          1HB       ARG   8 -10.482   2.694  -0.359
   63   2HB   ARG   8          2HB       ARG   8 -10.467   4.243   0.476
   64   1HG   ARG   8          1HG       ARG   8  -9.421   5.283  -1.472
   65   2HG   ARG   8          2HG       ARG   8  -9.449   3.732  -2.312
   66   1HD   ARG   8          1HD       ARG   8 -11.322   4.868  -3.121
   67   2HD   ARG   8          2HD       ARG   8 -11.964   3.759  -1.909
   68    HE   ARG   8           HE       ARG   8 -11.857   5.798  -0.377
   69   1HH1  ARG   8          1HH1      ARG   8 -12.499   5.926  -3.823
   70   2HH1  ARG   8          2HH1      ARG   8 -13.350   7.440  -3.741
   71   1HH2  ARG   8          1HH2      ARG   8 -12.989   7.775  -0.259
   72   2HH2  ARG   8          2HH2      ARG   8 -13.657   8.484  -1.702
   73    H    LEU   9           H        LEU   9  -8.977   4.457   2.503
   74    HA   LEU   9           HA       LEU   9  -7.792   6.979   2.005
   75   1HB   LEU   9          1HB       LEU   9  -8.389   5.632   4.638
   76   2HB   LEU   9          2HB       LEU   9  -7.932   7.313   4.456
   77    HG   LEU   9           HG       LEU   9 -10.496   5.986   3.608
   78   1HD1  LEU   9          1HD1      LEU   9  -9.888   8.366   5.359
   79   2HD1  LEU   9          2HD1      LEU   9 -10.334   6.752   5.919
   80   3HD1  LEU   9          3HD1      LEU   9 -11.491   7.719   5.003
   81   1HD2  LEU   9          1HD2      LEU   9  -9.522   8.745   2.862
   82   2HD2  LEU   9          2HD2      LEU   9 -11.149   8.116   2.591
   83   3HD2  LEU   9          3HD2      LEU   9  -9.773   7.393   1.756
   84    H    GLN  10           H        GLN  10  -6.556   3.953   3.224
   85    HA   GLN  10           HA       GLN  10  -4.083   5.043   4.155
   86   1HB   GLN  10          1HB       GLN  10  -5.005   2.919   5.021
   87   2HB   GLN  10          2HB       GLN  10  -4.754   2.182   3.443
   88   1HG   GLN  10          1HG       GLN  10  -3.002   1.625   5.094
   89   2HG   GLN  10          2HG       GLN  10  -2.380   2.414   3.644
   90   1HE2  GLN  10          1HE2      GLN  10  -0.545   3.168   4.635
   91   2HE2  GLN  10          2HE2      GLN  10  -0.562   4.464   5.789
   92    H    LEU  11           H        LEU  11  -5.230   3.648   1.135
   93    HA   LEU  11           HA       LEU  11  -2.739   3.577  -0.190
   94   1HB   LEU  11          1HB       LEU  11  -5.524   3.979  -1.283
   95   2HB   LEU  11          2HB       LEU  11  -4.105   3.747  -2.286
   96    HG   LEU  11           HG       LEU  11  -5.206   1.744  -0.313
   97   1HD1  LEU  11          1HD1      LEU  11  -5.793   0.457  -2.311
   98   2HD1  LEU  11          2HD1      LEU  11  -5.250   1.793  -3.326
   99   3HD1  LEU  11          3HD1      LEU  11  -6.637   2.004  -2.255
  100   1HD2  LEU  11          1HD2      LEU  11  -2.914   1.535  -2.264
  101   2HD2  LEU  11          2HD2      LEU  11  -3.567   0.209  -1.304
  102   3HD2  LEU  11          3HD2      LEU  11  -2.788   1.575  -0.506
  103    H    GLN  12           H        GLN  12  -5.090   6.128   0.344
  104    HA   GLN  12           HA       GLN  12  -3.688   8.045  -1.264
  105   1HB   GLN  12          1HB       GLN  12  -5.892   8.353   0.775
  106   2HB   GLN  12          2HB       GLN  12  -5.243   9.683  -0.176
  107   1HG   GLN  12          1HG       GLN  12  -5.944   8.574  -2.229
  108   2HG   GLN  12          2HG       GLN  12  -6.575   7.222  -1.289
  109   1HE2  GLN  12          1HE2      GLN  12  -7.918   9.077  -3.127
  110   2HE2  GLN  12          2HE2      GLN  12  -9.202   9.797  -2.208
  111    H    ALA  13           H        ALA  13  -3.671   7.064   2.093
  112    HA   ALA  13           HA       ALA  13  -2.080   9.183   3.098
  113   1HB   ALA  13          1HB       ALA  13  -2.292   6.323   4.048
  114   2HB   ALA  13          2HB       ALA  13  -3.284   7.677   4.590
  115   3HB   ALA  13          3HB       ALA  13  -1.557   7.649   4.948
  116    H    LEU  14           H        LEU  14  -1.267   5.925   1.940
  117    HA   LEU  14           HA       LEU  14   1.524   6.207   1.982
  118   1HB   LEU  14          1HB       LEU  14   0.366   4.059   1.701
  119   2HB   LEU  14          2HB       LEU  14  -0.214   4.572   0.129
  120    HG   LEU  14           HG       LEU  14   2.118   4.647  -0.693
  121   1HD1  LEU  14          1HD1      LEU  14   2.776   3.484   2.012
  122   2HD1  LEU  14          2HD1      LEU  14   3.240   5.082   1.427
  123   3HD1  LEU  14          3HD1      LEU  14   3.890   3.637   0.654
  124   1HD2  LEU  14          1HD2      LEU  14   1.271   2.029   0.540
  125   2HD2  LEU  14          2HD2      LEU  14   2.450   2.223  -0.756
  126   3HD2  LEU  14          3HD2      LEU  14   0.762   2.655  -1.028
  127    H    GLU  15           H        GLU  15  -0.890   6.969  -0.466
  128    HA   GLU  15           HA       GLU  15   0.725   7.803  -2.558
  129   1HB   GLU  15          1HB       GLU  15  -1.738   7.583  -2.665
  130   2HB   GLU  15          2HB       GLU  15  -1.897   9.012  -1.659
  131   1HG   GLU  15          1HG       GLU  15  -0.696  10.289  -3.437
  132   2HG   GLU  15          2HG       GLU  15  -0.811   8.852  -4.453
  133    H    ALA  16           H        ALA  16  -0.464   9.639   0.236
  134    HA   ALA  16           HA       ALA  16   0.706  12.107  -0.465
  135   1HB   ALA  16          1HB       ALA  16   0.298  12.757   1.851
  136   2HB   ALA  16          2HB       ALA  16  -0.004  11.073   2.279
  137   3HB   ALA  16          3HB       ALA  16  -1.097  11.911   1.179
  138    H    LEU  17           H        LEU  17   1.870   9.406   1.517
  139    HA   LEU  17           HA       LEU  17   4.273  10.610   2.349
  140   1HB   LEU  17          1HB       LEU  17   3.330   8.575   3.370
  141   2HB   LEU  17          2HB       LEU  17   3.669   7.681   1.903
  142    HG   LEU  17           HG       LEU  17   5.985   9.012   3.196
  143   1HD1  LEU  17          1HD1      LEU  17   4.802   8.134   5.132
  144   2HD1  LEU  17          2HD1      LEU  17   6.247   7.180   4.802
  145   3HD1  LEU  17          3HD1      LEU  17   4.658   6.561   4.349
  146   1HD2  LEU  17          1HD2      LEU  17   6.249   7.673   1.164
  147   2HD2  LEU  17          2HD2      LEU  17   5.549   6.278   1.988
  148   3HD2  LEU  17          3HD2      LEU  17   7.096   6.937   2.525
  149    H    LEU  18           H        LEU  18   3.584   8.456  -0.405
  150    HA   LEU  18           HA       LEU  18   6.171   8.531  -1.521
  151   1HB   LEU  18          1HB       LEU  18   3.498   8.165  -2.886
  152   2HB   LEU  18          2HB       LEU  18   5.054   7.828  -3.620
  153    HG   LEU  18           HG       LEU  18   4.003   6.420  -1.166
  154   1HD1  LEU  18          1HD1      LEU  18   4.024   5.516  -4.040
  155   2HD1  LEU  18          2HD1      LEU  18   2.599   5.926  -3.085
  156   3HD1  LEU  18          3HD1      LEU  18   3.580   4.526  -2.649
  157   1HD2  LEU  18          1HD2      LEU  18   6.426   6.423  -1.312
  158   2HD2  LEU  18          2HD2      LEU  18   6.347   5.846  -2.977
  159   3HD2  LEU  18          3HD2      LEU  18   5.795   4.813  -1.659
  160    H    ARG  19           H        ARG  19   3.418  10.643  -1.763
  161    HA   ARG  19           HA       ARG  19   4.251  12.322  -3.848
  162   1HB   ARG  19          1HB       ARG  19   1.988  12.337  -3.047
  163   2HB   ARG  19          2HB       ARG  19   2.506  12.788  -1.432
  164   1HG   ARG  19          1HG       ARG  19   3.239  14.966  -2.299
  165   2HG   ARG  19          2HG       ARG  19   2.642  14.504  -3.898
  166   1HD   ARG  19          1HD       ARG  19   0.394  14.232  -2.993
  167   2HD   ARG  19          2HD       ARG  19   0.979  14.648  -1.384
  168    HE   ARG  19           HE       ARG  19   1.356  16.885  -2.161
  169   1HH1  ARG  19          1HH1      ARG  19  -0.507  14.814  -4.291
  170   2HH1  ARG  19          2HH1      ARG  19  -1.228  16.140  -5.160
  171   1HH2  ARG  19          1HH2      ARG  19   0.415  18.625  -3.291
  172   2HH2  ARG  19          2HH2      ARG  19  -0.698  18.306  -4.592
  173    H    GLU  20           H        GLU  20   4.569  12.759  -0.313
  174    HA   GLU  20           HA       GLU  20   6.097  15.113  -0.421
  175   1HB   GLU  20          1HB       GLU  20   6.060  12.956   1.692
  176   2HB   GLU  20          2HB       GLU  20   6.786  14.542   1.894
  177   1HG   GLU  20          1HG       GLU  20   4.607  15.586   1.611
  178   2HG   GLU  20          2HG       GLU  20   3.871  13.998   1.386
  179    H    HIS  21           H        HIS  21   7.055  11.714  -0.325
  180    HA   HIS  21           HA       HIS  21   9.866  12.424  -0.256
  181   1HB   HIS  21          1HB       HIS  21   8.482   9.738  -0.344
  182   2HB   HIS  21          2HB       HIS  21  10.229   9.949  -0.253
  183    HD1  HIS  21           HD1      HIS  21  11.212  10.764   2.000
  184    HD2  HIS  21           HD2      HIS  21   7.081  10.313   2.018
  185    HE1  HIS  21           HE1      HIS  21  10.518  10.922   4.414
  186    HE2  HIS  21           HE2      HIS  21   7.995  10.931   4.347
  187    H    GLN  22           H        GLN  22   7.778  12.662  -2.584
  188    HA   GLN  22           HA       GLN  22   7.940  12.981  -4.807
  189   1HB   GLN  22          1HB       GLN  22  10.914  12.905  -4.274
  190   2HB   GLN  22          2HB       GLN  22  10.126  13.616  -5.677
  191   1HG   GLN  22          1HG       GLN  22   9.030  15.252  -4.249
  192   2HG   GLN  22          2HG       GLN  22   9.791  14.536  -2.830
  193   1HE2  GLN  22          1HE2      GLN  22   9.978  17.239  -3.857
  194   2HE2  GLN  22          2HE2      GLN  22  11.663  17.532  -4.157
  195    H    HIS  23           H        HIS  23   7.705  10.245  -4.002
  196    HA   HIS  23           HA       HIS  23   9.023   8.982  -6.310
  197   1HB   HIS  23          1HB       HIS  23   7.846   7.875  -3.790
  198   2HB   HIS  23          2HB       HIS  23   7.862   6.867  -5.235
  199    HD1  HIS  23           HD1      HIS  23  10.052   5.798  -5.891
  200    HD2  HIS  23           HD2      HIS  23  10.453   8.603  -2.841
  201    HE1  HIS  23           HE1      HIS  23  12.412   5.563  -5.053
  202    HE2  HIS  23           HE2      HIS  23  12.698   7.445  -3.401
  203    H    TRP  24           H        TRP  24   6.272  10.534  -5.404
  204    HA   TRP  24           HA       TRP  24   4.472   9.030  -7.122
  205   1HB   TRP  24          1HB       TRP  24   3.800  10.071  -4.880
  206   2HB   TRP  24          2HB       TRP  24   3.877  11.622  -5.700
  207    HD1  TRP  24           HD1      TRP  24   1.786  12.361  -7.036
  208    HE1  TRP  24           HE1      TRP  24  -0.457  11.254  -7.669
  209    HE3  TRP  24           HE3      TRP  24   2.774   7.591  -5.479
  210    HZ2  TRP  24           HZ2      TRP  24  -1.640   8.693  -7.517
  211    HZ3  TRP  24           HZ3      TRP  24   1.037   5.874  -5.759
  212    HH2  TRP  24           HH2      TRP  24  -1.125   6.414  -6.757
  213    H    ARG  25           H        ARG  25   5.327   9.368  -9.162
  214    HA   ARG  25           HA       ARG  25   5.371  12.159 -10.083
  215   1HB   ARG  25          1HB       ARG  25   6.926   9.761 -11.035
  216   2HB   ARG  25          2HB       ARG  25   6.813  11.250 -11.961
  217   1HG   ARG  25          1HG       ARG  25   7.726  12.422  -9.905
  218   2HG   ARG  25          2HG       ARG  25   8.112  10.809  -9.297
  219   1HD   ARG  25          1HD       ARG  25   9.994  11.944 -10.494
  220   2HD   ARG  25          2HD       ARG  25   9.545  10.370 -11.157
  221    HE   ARG  25           HE       ARG  25   8.832  11.402 -13.085
  222   1HH1  ARG  25          1HH1      ARG  25   9.496  13.834 -10.651
  223   2HH1  ARG  25          2HH1      ARG  25   9.271  15.169 -11.739
  224   1HH2  ARG  25          1HH2      ARG  25   8.526  13.136 -14.515
  225   2HH2  ARG  25          2HH2      ARG  25   8.738  14.770 -13.948
  226    H    ASN  26           H        ASN  26   4.909  12.392 -12.434
  227    HA   ASN  26           HA       ASN  26   2.394  11.131 -13.059
  228   1HB   ASN  26          1HB       ASN  26   2.870  13.549 -13.488
  229   2HB   ASN  26          2HB       ASN  26   4.042  13.067 -14.707
  230   1HD2  ASN  26          1HD2      ASN  26   2.952  14.109 -16.343
  231   2HD2  ASN  26          2HD2      ASN  26   1.449  13.533 -16.982
  232    H    ASP  27           H        ASP  27   5.677  10.594 -13.718
  233    HA   ASP  27           HA       ASP  27   5.276   9.191 -16.220
  234   1HB   ASP  27          1HB       ASP  27   7.753   9.414 -14.498
  235   2HB   ASP  27          2HB       ASP  27   7.688   8.781 -16.136
  236    H    GLU  28           H        GLU  28   4.729   7.113 -16.336
  237    HA   GLU  28           HA       GLU  28   5.193   5.429 -13.981
  238   1HB   GLU  28          1HB       GLU  28   3.707   3.896 -15.732
  239   2HB   GLU  28          2HB       GLU  28   3.083   4.791 -14.358
  240   1HG   GLU  28          1HG       GLU  28   1.725   5.287 -16.238
  241   2HG   GLU  28          2HG       GLU  28   2.682   6.720 -15.877
  242    HA   PRO  29           HA       PRO  29   8.560   3.202 -15.723
  243   1HB   PRO  29          1HB       PRO  29   7.152   0.771 -14.741
  244   2HB   PRO  29          2HB       PRO  29   8.807   1.319 -14.439
  245   1HG   PRO  29          1HG       PRO  29   6.944   1.558 -12.561
  246   2HG   PRO  29          2HG       PRO  29   8.146   2.837 -12.814
  247   1HD   PRO  29          1HD       PRO  29   5.272   2.749 -13.629
  248   2HD   PRO  29          2HD       PRO  29   6.237   4.116 -13.035
  249    H    GLN  30           H        GLN  30   9.104   1.450 -17.189
  250    HA   GLN  30           HA       GLN  30   7.702   1.641 -19.589
  251   1HB   GLN  30          1HB       GLN  30   9.212  -0.148 -20.378
  252   2HB   GLN  30          2HB       GLN  30  10.073   1.106 -19.496
  253   1HG   GLN  30          1HG       GLN  30  10.102  -0.310 -17.508
  254   2HG   GLN  30          2HG       GLN  30   9.244  -1.568 -18.392
  255   1HE2  GLN  30          1HE2      GLN  30  11.740   0.432 -19.796
  256   2HE2  GLN  30          2HE2      GLN  30  12.914  -0.826 -19.967
  257    HA   PRO  31           HA       PRO  31   4.398  -1.315 -19.282
  258   1HB   PRO  31          1HB       PRO  31   4.849  -1.774 -22.172
  259   2HB   PRO  31          2HB       PRO  31   3.394  -1.228 -21.332
  260   1HG   PRO  31          1HG       PRO  31   4.847   0.464 -22.799
  261   2HG   PRO  31          2HG       PRO  31   4.090   0.979 -21.281
  262   1HD   PRO  31          1HD       PRO  31   6.942   0.254 -21.825
  263   2HD   PRO  31          2HD       PRO  31   6.285   1.572 -20.830
  264    H    HIS  32           H        HIS  32   7.427  -2.104 -20.879
  265    HA   HIS  32           HA       HIS  32   7.102  -4.898 -21.047
  266   1HB   HIS  32          1HB       HIS  32   8.880  -3.659 -22.213
  267   2HB   HIS  32          2HB       HIS  32   9.641  -3.289 -20.673
  268    HD1  HIS  32           HD1      HIS  32   9.028  -6.132 -23.054
  269    HD2  HIS  32           HD2      HIS  32  11.278  -5.278 -19.661
  270    HE1  HIS  32           HE1      HIS  32  10.675  -8.020 -22.835
  271    HE2  HIS  32           HE2      HIS  32  12.175  -7.342 -20.930
  272    H    GLN  33           H        GLN  33   7.750  -2.799 -18.393
  273    HA   GLN  33           HA       GLN  33   8.812  -4.793 -16.624
  274   1HB   GLN  33          1HB       GLN  33   9.307  -2.390 -16.360
  275   2HB   GLN  33          2HB       GLN  33   7.609  -2.079 -16.040
  276   1HG   GLN  33          1HG       GLN  33   7.732  -3.398 -14.003
  277   2HG   GLN  33          2HG       GLN  33   9.425  -3.768 -14.335
  278   1HE2  GLN  33          1HE2      GLN  33   8.240  -2.389 -12.054
  279   2HE2  GLN  33          2HE2      GLN  33   9.002  -0.840 -11.992
  280    H    PHE  34           H        PHE  34   5.671  -3.605 -17.519
  281    HA   PHE  34           HA       PHE  34   4.275  -4.734 -15.278
  282   1HB   PHE  34          1HB       PHE  34   3.503  -2.743 -16.648
  283   2HB   PHE  34          2HB       PHE  34   3.106  -3.878 -17.930
  284    HD1  PHE  34           HD1      PHE  34   2.433  -3.277 -14.315
  285    HD2  PHE  34           HD2      PHE  34   0.966  -4.730 -18.041
  286    HE1  PHE  34           HE1      PHE  34   0.220  -3.621 -13.304
  287    HE2  PHE  34           HE2      PHE  34  -1.255  -5.075 -17.031
  288    HZ   PHE  34           HZ       PHE  34  -1.628  -4.524 -14.659
  289    H    ASN  35           H        ASN  35   5.735  -6.008 -17.939
  290    HA   ASN  35           HA       ASN  35   3.853  -8.123 -18.536
  291   1HB   ASN  35          1HB       ASN  35   5.356  -7.055 -20.244
  292   2HB   ASN  35          2HB       ASN  35   6.730  -7.787 -19.427
  293   1HD2  ASN  35          1HD2      ASN  35   7.363  -9.002 -21.138
  294   2HD2  ASN  35          2HD2      ASN  35   6.451 -10.346 -21.745
  295    H    SER  36           H        SER  36   6.299  -7.541 -16.260
  296    HA   SER  36           HA       SER  36   7.036 -10.275 -15.801
  297   1HB   SER  36          1HB       SER  36   7.324  -7.851 -14.005
  298   2HB   SER  36          2HB       SER  36   8.119  -9.407 -13.773
  299    HG   SER  36           HG       SER  36   9.354  -9.062 -15.578
  300    H    THR  37           H        THR  37   5.374 -11.612 -15.276
  301    HA   THR  37           HA       THR  37   3.243 -10.638 -13.557
  302    HB   THR  37           HB       THR  37   2.643 -11.981 -15.517
  303    HG1  THR  37           HG1      THR  37   2.072 -12.964 -12.921
  304   1HG2  THR  37          1HG2      THR  37   3.104 -14.401 -15.550
  305   2HG2  THR  37          2HG2      THR  37   4.117 -14.219 -14.119
  306   3HG2  THR  37          3HG2      THR  37   4.584 -13.448 -15.633
  307    H    GLN  38           H        GLN  38   6.184 -11.523 -12.880
  308    HA   GLN  38           HA       GLN  38   6.038 -13.392 -10.782
  309   1HB   GLN  38          1HB       GLN  38   8.176 -12.620 -11.693
  310   2HB   GLN  38          2HB       GLN  38   7.832 -10.979 -11.173
  311   1HG   GLN  38          1HG       GLN  38   9.196 -11.575  -9.485
  312   2HG   GLN  38          2HG       GLN  38   7.685 -12.178  -8.810
  313   1HE2  GLN  38          1HE2      GLN  38  10.725 -12.991 -10.209
  314   2HE2  GLN  38          2HE2      GLN  38  10.680 -14.689  -9.864
  315    HA   PRO  39           HA       PRO  39   3.811 -11.140  -7.551
  316   1HB   PRO  39          1HB       PRO  39   5.924 -12.438  -5.884
  317   2HB   PRO  39          2HB       PRO  39   4.175 -12.371  -5.620
  318   1HG   PRO  39          1HG       PRO  39   5.287 -14.599  -6.509
  319   2HG   PRO  39          2HG       PRO  39   3.751 -14.037  -7.201
  320   1HD   PRO  39          1HD       PRO  39   6.517 -13.869  -8.328
  321   2HD   PRO  39          2HD       PRO  39   4.981 -14.199  -9.156
  322    H    PHE  40           H        PHE  40   4.133  -9.163  -6.702
  323    HA   PHE  40           HA       PHE  40   5.088  -7.148  -6.295
  324   1HB   PHE  40          1HB       PHE  40   7.607  -8.704  -5.681
  325   2HB   PHE  40          2HB       PHE  40   7.241  -7.063  -5.172
  326    HD1  PHE  40           HD2      PHE  40   6.554 -10.608  -4.625
  327    HD2  PHE  40           HD1      PHE  40   5.758  -6.643  -3.316
  328    HE1  PHE  40           HE2      PHE  40   5.615 -11.496  -2.541
  329    HE2  PHE  40           HE1      PHE  40   4.817  -7.526  -1.219
  330    HZ   PHE  40           HZ       PHE  40   4.755  -9.959  -0.837
  331    H    PHE  41           H        PHE  41   5.626  -8.792  -8.919
  332    HA   PHE  41           HA       PHE  41   6.644  -8.537 -10.920
  333   1HB   PHE  41          1HB       PHE  41   6.547  -5.699  -9.928
  334   2HB   PHE  41          2HB       PHE  41   7.196  -6.093 -11.518
  335    HD1  PHE  41           HD2      PHE  41   4.206  -7.024  -9.476
  336    HD2  PHE  41           HD1      PHE  41   5.730  -5.820 -13.259
  337    HE1  PHE  41           HE2      PHE  41   1.930  -7.072 -10.401
  338    HE2  PHE  41           HE1      PHE  41   3.453  -5.874 -14.192
  339    HZ   PHE  41           HZ       PHE  41   1.551  -6.498 -12.763
  340    H    MET  42           H        MET  42   8.268  -9.397  -8.808
  341    HA   MET  42           HA       MET  42  10.809  -8.054  -8.915
  342   1HB   MET  42          1HB       MET  42  10.181 -10.796  -7.795
  343   2HB   MET  42          2HB       MET  42  11.583  -9.798  -7.428
  344   1HG   MET  42          1HG       MET  42  10.108  -8.123  -6.416
  345   2HG   MET  42          2HG       MET  42   8.725  -9.164  -6.747
  346   1HE   MET  42          1HE       MET  42   9.502 -12.084  -5.934
  347   2HE   MET  42          2HE       MET  42   8.057 -11.204  -5.438
  348   3HE   MET  42          3HE       MET  42   9.043 -12.027  -4.232
  349    H    ASP  43           H        ASP  43  10.962  -8.145 -11.271
  350    HA   ASP  43           HA       ASP  43  12.492 -10.457 -12.119
  351   1HB   ASP  43          1HB       ASP  43  10.356 -11.265 -12.779
  352   2HB   ASP  43          2HB       ASP  43   9.870  -9.692 -13.394
  353    H    THR  44           H        THR  44  10.830  -7.681 -13.630
  354    HA   THR  44           HA       THR  44  13.048  -7.101 -15.322
  355    HB   THR  44           HB       THR  44  11.605  -4.859 -15.510
  356    HG1  THR  44           HG1      THR  44   9.487  -6.591 -14.970
  357   1HG2  THR  44          1HG2      THR  44  11.970  -6.456 -17.324
  358   2HG2  THR  44          2HG2      THR  44  10.278  -5.962 -17.260
  359   3HG2  THR  44          3HG2      THR  44  10.763  -7.537 -16.629
  360    H    MET  45           H        MET  45  11.718  -5.610 -12.396
  361    HA   MET  45           HA       MET  45  14.331  -4.328 -11.989
  362   1HB   MET  45          1HB       MET  45  11.604  -3.105 -11.605
  363   2HB   MET  45          2HB       MET  45  13.042  -2.455 -10.831
  364   1HG   MET  45          1HG       MET  45  14.059  -2.193 -13.082
  365   2HG   MET  45          2HG       MET  45  12.521  -2.694 -13.782
  366   1HE   MET  45          1HE       MET  45  13.029   1.130 -11.242
  367   2HE   MET  45          2HE       MET  45  14.353   0.021 -11.597
  368   3HE   MET  45          3HE       MET  45  13.028  -0.492 -10.552
  369    H    GLU  46           H        GLU  46  14.086  -3.321  -9.551
  370    HA   GLU  46           HA       GLU  46  14.053  -5.702  -7.920
  371   1HB   GLU  46          1HB       GLU  46  14.752  -2.833  -7.261
  372   2HB   GLU  46          2HB       GLU  46  14.973  -4.200  -6.174
  373   1HG   GLU  46          1HG       GLU  46  16.547  -5.204  -7.742
  374   2HG   GLU  46          2HG       GLU  46  16.313  -3.851  -8.848
  375    HA   PRO  47           HA       PRO  47  10.109  -5.169  -6.074
  376   1HB   PRO  47          1HB       PRO  47  11.115  -5.887  -3.430
  377   2HB   PRO  47          2HB       PRO  47  10.069  -6.809  -4.512
  378   1HG   PRO  47          1HG       PRO  47  12.634  -7.521  -3.984
  379   2HG   PRO  47          2HG       PRO  47  11.829  -7.871  -5.524
  380   1HD   PRO  47          1HD       PRO  47  13.795  -5.721  -4.856
  381   2HD   PRO  47          2HD       PRO  47  13.653  -6.706  -6.327
  382    H    LEU  48           H        LEU  48   9.886  -2.908  -6.177
  383    HA   LEU  48           HA       LEU  48   9.858  -1.632  -3.584
  384   1HB   LEU  48          1HB       LEU  48  12.137  -1.175  -4.400
  385   2HB   LEU  48          2HB       LEU  48  11.470  -0.448  -5.848
  386    HG   LEU  48           HG       LEU  48  10.399   1.298  -4.445
  387   1HD1  LEU  48          1HD1      LEU  48  11.111   1.543  -2.117
  388   2HD1  LEU  48          2HD1      LEU  48  11.974   0.008  -2.219
  389   3HD1  LEU  48          3HD1      LEU  48  10.217   0.045  -2.368
  390   1HD2  LEU  48          1HD2      LEU  48  12.566   1.697  -5.503
  391   2HD2  LEU  48          2HD2      LEU  48  13.384   1.030  -4.090
  392   3HD2  LEU  48          3HD2      LEU  48  12.450   2.519  -3.948
  393    H    GLU  49           H        GLU  49   9.666  -0.749  -7.047
  394    HA   GLU  49           HA       GLU  49   7.715   1.260  -6.522
  395   1HB   GLU  49          1HB       GLU  49   8.572   0.101  -9.175
  396   2HB   GLU  49          2HB       GLU  49   7.689   1.603  -8.936
  397   1HG   GLU  49          1HG       GLU  49   9.672   2.361  -7.539
  398   2HG   GLU  49          2HG       GLU  49  10.530   0.976  -8.209
  399    H    TRP  50           H        TRP  50   7.390  -2.029  -6.705
  400    HA   TRP  50           HA       TRP  50   4.982  -2.431  -8.078
  401   1HB   TRP  50          1HB       TRP  50   6.337  -4.296  -7.286
  402   2HB   TRP  50          2HB       TRP  50   6.080  -3.815  -5.615
  403    HD1  TRP  50           HD1      TRP  50   4.193  -5.340  -8.596
  404    HE1  TRP  50           HE1      TRP  50   2.180  -6.664  -7.698
  405    HE3  TRP  50           HE3      TRP  50   4.516  -4.059  -3.660
  406    HZ2  TRP  50           HZ2      TRP  50   0.895  -7.104  -5.230
  407    HZ3  TRP  50           HZ3      TRP  50   2.851  -4.972  -2.097
  408    HH2  TRP  50           HH2      TRP  50   1.082  -6.465  -2.867
  409    H    LEU  51           H        LEU  51   5.685  -1.338  -4.835
  410    HA   LEU  51           HA       LEU  51   3.193  -1.519  -3.647
  411   1HB   LEU  51          1HB       LEU  51   5.326  -1.042  -2.505
  412   2HB   LEU  51          2HB       LEU  51   5.331   0.564  -3.207
  413    HG   LEU  51           HG       LEU  51   3.231   1.059  -1.959
  414   1HD1  LEU  51          1HD1      LEU  51   2.415  -1.206  -1.666
  415   2HD1  LEU  51          2HD1      LEU  51   2.620  -0.420  -0.101
  416   3HD1  LEU  51          3HD1      LEU  51   3.807  -1.599  -0.659
  417   1HD2  LEU  51          1HD2      LEU  51   4.328   1.317   0.208
  418   2HD2  LEU  51          2HD2      LEU  51   5.409   1.757  -1.114
  419   3HD2  LEU  51          3HD2      LEU  51   5.600   0.205  -0.297
  420    H    GLN  52           H        GLN  52   4.511   1.035  -5.704
  421    HA   GLN  52           HA       GLN  52   2.103   2.630  -5.244
  422   1HB   GLN  52          1HB       GLN  52   3.367   4.473  -6.299
  423   2HB   GLN  52          2HB       GLN  52   4.168   3.814  -4.881
  424   1HG   GLN  52          1HG       GLN  52   5.696   2.567  -6.296
  425   2HG   GLN  52          2HG       GLN  52   4.872   3.168  -7.734
  426   1HE2  GLN  52          1HE2      GLN  52   5.141   5.312  -8.339
  427   2HE2  GLN  52          2HE2      GLN  52   6.410   6.302  -7.704
  428    H    TRP  53           H        TRP  53   3.897   1.061  -7.849
  429    HA   TRP  53           HA       TRP  53   2.263   2.328  -9.873
  430   1HB   TRP  53          1HB       TRP  53   4.677   1.936 -10.226
  431   2HB   TRP  53          2HB       TRP  53   4.393   0.200 -10.157
  432    HD1  TRP  53           HD1      TRP  53   2.486   2.917 -12.188
  433    HE1  TRP  53           HE1      TRP  53   2.514   2.209 -14.666
  434    HE3  TRP  53           HE3      TRP  53   5.332  -1.316 -11.789
  435    HZ2  TRP  53           HZ2      TRP  53   3.610   0.136 -16.238
  436    HZ3  TRP  53           HZ3      TRP  53   5.830  -2.597 -13.831
  437    HH2  TRP  53           HH2      TRP  53   4.985  -1.884 -16.006
  438    H    VAL  54           H        VAL  54   2.389  -0.744  -8.224
  439    HA   VAL  54           HA       VAL  54   0.324  -1.771 -10.055
  440    HB   VAL  54           HB       VAL  54   2.139  -3.344  -8.227
  441   1HG1  VAL  54          1HG1      VAL  54  -0.044  -4.404  -8.476
  442   2HG1  VAL  54          2HG1      VAL  54   1.199  -5.319  -9.332
  443   3HG1  VAL  54          3HG1      VAL  54   0.088  -4.283 -10.231
  444   1HG2  VAL  54          1HG2      VAL  54   3.333  -2.428 -10.130
  445   2HG2  VAL  54          2HG2      VAL  54   2.108  -3.071 -11.226
  446   3HG2  VAL  54          3HG2      VAL  54   3.137  -4.171 -10.309
  447    H    LEU  55           H        LEU  55   1.266  -1.910  -6.614
  448    HA   LEU  55           HA       LEU  55  -1.068  -3.186  -5.772
  449   1HB   LEU  55          1HB       LEU  55   1.053  -3.034  -4.486
  450   2HB   LEU  55          2HB       LEU  55   0.670  -1.360  -4.121
  451    HG   LEU  55           HG       LEU  55  -1.353  -2.085  -2.925
  452   1HD1  LEU  55          1HD1      LEU  55  -1.742  -4.436  -2.468
  453   2HD1  LEU  55          2HD1      LEU  55  -0.359  -4.876  -3.470
  454   3HD1  LEU  55          3HD1      LEU  55  -1.779  -4.129  -4.206
  455   1HD2  LEU  55          1HD2      LEU  55  -0.233  -3.110  -1.009
  456   2HD2  LEU  55          2HD2      LEU  55   0.723  -1.791  -1.689
  457   3HD2  LEU  55          3HD2      LEU  55   1.169  -3.466  -2.019
  458    H    ILE  56           H        ILE  56  -0.269   0.297  -5.479
  459    HA   ILE  56           HA       ILE  56  -2.641   1.055  -4.269
  460    HB   ILE  56           HB       ILE  56  -0.839   2.677  -6.056
  461   1HG1  ILE  56          1HG1      ILE  56  -1.202   2.576  -3.056
  462   2HG1  ILE  56          2HG1      ILE  56   0.140   1.875  -3.955
  463   1HG2  ILE  56          1HG2      ILE  56  -3.056   3.668  -6.123
  464   2HG2  ILE  56          2HG2      ILE  56  -1.961   4.668  -5.167
  465   3HG2  ILE  56          3HG2      ILE  56  -3.140   3.633  -4.361
  466   1HD1  ILE  56          1HD1      ILE  56  -0.528   4.802  -3.784
  467   2HD1  ILE  56          2HD1      ILE  56   0.820   4.099  -4.678
  468   3HD1  ILE  56          3HD1      ILE  56   0.769   3.975  -2.919
  469    HA   PRO  57           HA       PRO  57  -4.667   2.077  -8.569
  470   1HB   PRO  57          1HB       PRO  57  -3.137   0.343 -10.417
  471   2HB   PRO  57          2HB       PRO  57  -3.717   1.996 -10.644
  472   1HG   PRO  57          1HG       PRO  57  -1.126   1.490 -10.260
  473   2HG   PRO  57          2HG       PRO  57  -1.897   2.927  -9.562
  474   1HD   PRO  57          1HD       PRO  57  -1.166   0.339  -8.245
  475   2HD   PRO  57          2HD       PRO  57  -0.997   1.998  -7.644
  476    H    ARG  58           H        ARG  58  -3.222  -1.128  -8.129
  477    HA   ARG  58           HA       ARG  58  -5.371  -2.591  -9.254
  478   1HB   ARG  58          1HB       ARG  58  -3.204  -3.619  -9.063
  479   2HB   ARG  58          2HB       ARG  58  -3.198  -3.395  -7.320
  480   1HG   ARG  58          1HG       ARG  58  -5.020  -4.978  -7.090
  481   2HG   ARG  58          2HG       ARG  58  -5.079  -5.183  -8.842
  482   1HD   ARG  58          1HD       ARG  58  -2.887  -6.151  -8.866
  483   2HD   ARG  58          2HD       ARG  58  -2.647  -5.763  -7.161
  484    HE   ARG  58           HE       ARG  58  -4.685  -7.327  -6.862
  485   1HH1  ARG  58          1HH1      ARG  58  -2.168  -7.750  -9.270
  486   2HH1  ARG  58          2HH1      ARG  58  -2.312  -9.488  -9.285
  487   1HH2  ARG  58          1HH2      ARG  58  -4.897  -9.584  -6.913
  488   2HH2  ARG  58          2HH2      ARG  58  -3.879 -10.520  -7.969
  489    H    MET  59           H        MET  59  -4.568  -1.679  -5.918
  490    HA   MET  59           HA       MET  59  -6.790  -3.096  -4.807
  491   1HB   MET  59          1HB       MET  59  -5.093  -0.901  -3.596
  492   2HB   MET  59          2HB       MET  59  -6.258  -1.883  -2.719
  493   1HG   MET  59          1HG       MET  59  -3.702  -2.789  -4.012
  494   2HG   MET  59          2HG       MET  59  -4.094  -2.760  -2.294
  495   1HE   MET  59          1HE       MET  59  -6.863  -5.551  -2.092
  496   2HE   MET  59          2HE       MET  59  -7.101  -3.822  -2.347
  497   3HE   MET  59          3HE       MET  59  -5.913  -4.386  -1.172
  498    H    HIS  60           H        HIS  60  -6.294   0.178  -5.991
  499    HA   HIS  60           HA       HIS  60  -8.646   1.355  -5.029
  500   1HB   HIS  60          1HB       HIS  60  -6.877   1.834  -7.369
  501   2HB   HIS  60          2HB       HIS  60  -8.493   2.525  -7.442
  502    HD1  HIS  60           HD1      HIS  60  -9.063   4.406  -5.753
  503    HD2  HIS  60           HD2      HIS  60  -5.133   3.059  -5.562
  504    HE1  HIS  60           HE1      HIS  60  -7.822   6.124  -4.401
  505    HE2  HIS  60           HE2      HIS  60  -5.406   5.403  -4.492
  506    H    ASP  61           H        ASP  61  -8.060  -0.549  -7.941
  507    HA   ASP  61           HA       ASP  61 -10.678  -0.621  -8.952
  508   1HB   ASP  61          1HB       ASP  61  -8.789  -1.343 -10.288
  509   2HB   ASP  61          2HB       ASP  61  -8.412  -2.622  -9.142
  510    H    LEU  62           H        LEU  62  -8.998  -2.801  -6.719
  511    HA   LEU  62           HA       LEU  62 -11.059  -4.687  -6.430
  512   1HB   LEU  62          1HB       LEU  62  -8.643  -4.956  -5.812
  513   2HB   LEU  62          2HB       LEU  62  -8.940  -3.953  -4.410
  514    HG   LEU  62           HG       LEU  62 -10.543  -6.448  -4.797
  515   1HD1  LEU  62          1HD1      LEU  62  -7.777  -6.317  -3.605
  516   2HD1  LEU  62          2HD1      LEU  62  -8.212  -7.118  -5.114
  517   3HD1  LEU  62          3HD1      LEU  62  -8.851  -7.715  -3.583
  518   1HD2  LEU  62          1HD2      LEU  62 -11.168  -4.922  -2.998
  519   2HD2  LEU  62          2HD2      LEU  62  -9.524  -4.984  -2.364
  520   3HD2  LEU  62          3HD2      LEU  62 -10.530  -6.430  -2.347
  521    H    LEU  63           H        LEU  63 -10.256  -1.796  -4.556
  522    HA   LEU  63           HA       LEU  63 -12.249  -2.212  -2.567
  523   1HB   LEU  63          1HB       LEU  63 -10.752   0.284  -3.360
  524   2HB   LEU  63          2HB       LEU  63 -11.762   0.135  -1.933
  525    HG   LEU  63           HG       LEU  63  -9.323  -1.563  -2.442
  526   1HD1  LEU  63          1HD1      LEU  63  -8.660   0.756  -2.228
  527   2HD1  LEU  63          2HD1      LEU  63  -8.219  -0.143  -0.776
  528   3HD1  LEU  63          3HD1      LEU  63  -9.628   0.917  -0.763
  529   1HD2  LEU  63          1HD2      LEU  63 -10.958  -1.097   0.047
  530   2HD2  LEU  63          2HD2      LEU  63  -9.529  -2.123  -0.085
  531   3HD2  LEU  63          3HD2      LEU  63 -11.003  -2.550  -0.953
  532    H    ASP  64           H        ASP  64 -12.139  -0.327  -5.559
  533    HA   ASP  64           HA       ASP  64 -14.659   0.952  -5.088
  534   1HB   ASP  64          1HB       ASP  64 -12.781   1.813  -6.583
  535   2HB   ASP  64          2HB       ASP  64 -13.307   0.620  -7.766
  536    H    ASN  65           H        ASN  65 -13.593  -2.004  -6.564
  537    HA   ASN  65           HA       ASN  65 -16.118  -2.612  -7.807
  538   1HB   ASN  65          1HB       ASN  65 -13.697  -3.498  -8.359
  539   2HB   ASN  65          2HB       ASN  65 -14.085  -4.711  -7.143
  540   1HD2  ASN  65          1HD2      ASN  65 -14.784  -3.478 -10.291
  541   2HD2  ASN  65          2HD2      ASN  65 -15.755  -4.809 -10.831
  542    H    LYS  66           H        LYS  66 -14.896  -2.669  -4.683
  543    HA   LYS  66           HA       LYS  66 -15.806  -3.197  -2.682
  544   1HB   LYS  66          1HB       LYS  66 -18.252  -3.984  -4.280
  545   2HB   LYS  66          2HB       LYS  66 -18.196  -3.730  -2.540
  546   1HG   LYS  66          1HG       LYS  66 -17.647  -1.390  -2.873
  547   2HG   LYS  66          2HG       LYS  66 -17.627  -1.628  -4.620
  548   1HD   LYS  66          1HD       LYS  66 -20.001  -2.257  -4.543
  549   2HD   LYS  66          2HD       LYS  66 -20.010  -1.969  -2.801
  550   1HE   LYS  66          1HE       LYS  66 -19.337   0.106  -4.885
  551   2HE   LYS  66          2HE       LYS  66 -20.919  -0.080  -4.130
  552   1HZ   LYS  66          1HZ       LYS  66 -20.014   0.479  -2.021
  553   2HZ   LYS  66          2HZ       LYS  66 -19.492   1.663  -3.118
  554   3HZ   LYS  66          3HZ       LYS  66 -18.421   0.451  -2.608
  555    H    GLN  67           H        GLN  67 -14.289  -5.115  -4.243
  556    HA   GLN  67           HA       GLN  67 -15.420  -7.720  -3.799
  557   1HB   GLN  67          1HB       GLN  67 -12.605  -6.878  -4.512
  558   2HB   GLN  67          2HB       GLN  67 -13.186  -8.537  -4.497
  559   1HG   GLN  67          1HG       GLN  67 -14.793  -7.989  -6.250
  560   2HG   GLN  67          2HG       GLN  67 -14.204  -6.328  -6.266
  561   1HE2  GLN  67          1HE2      GLN  67 -12.099  -9.064  -5.813
  562   2HE2  GLN  67          2HE2      GLN  67 -11.302  -8.947  -7.339
  563    HA   PRO  68           HA       PRO  68 -14.039  -8.515   0.346
  564   1HB   PRO  68          1HB       PRO  68 -13.149 -11.183  -0.553
  565   2HB   PRO  68          2HB       PRO  68 -14.357 -10.750   0.661
  566   1HG   PRO  68          1HG       PRO  68 -15.066 -11.763  -1.719
  567   2HG   PRO  68          2HG       PRO  68 -16.044 -10.529  -0.904
  568   1HD   PRO  68          1HD       PRO  68 -14.129 -10.230  -3.186
  569   2HD   PRO  68          2HD       PRO  68 -15.706  -9.454  -2.929
  570    H    LEU  69           H        LEU  69 -12.188  -8.123   1.410
  571    HA   LEU  69           HA       LEU  69  -9.775  -7.710  -0.059
  572   1HB   LEU  69          1HB       LEU  69 -10.336  -7.613   2.907
  573   2HB   LEU  69          2HB       LEU  69  -8.825  -7.124   2.169
  574    HG   LEU  69           HG       LEU  69 -11.503  -5.823   1.670
  575   1HD1  LEU  69          1HD1      LEU  69 -10.676  -5.434   3.934
  576   2HD1  LEU  69          2HD1      LEU  69 -10.604  -3.964   2.963
  577   3HD1  LEU  69          3HD1      LEU  69  -9.135  -4.884   3.279
  578   1HD2  LEU  69          1HD2      LEU  69  -8.729  -5.048   0.774
  579   2HD2  LEU  69          2HD2      LEU  69 -10.196  -4.102   0.527
  580   3HD2  LEU  69          3HD2      LEU  69 -10.018  -5.671  -0.257
  581    HA   PRO  70           HA       PRO  70  -7.778 -11.641   0.763
  582   1HB   PRO  70          1HB       PRO  70  -5.189 -10.799   0.569
  583   2HB   PRO  70          2HB       PRO  70  -6.212 -11.125  -0.834
  584   1HG   PRO  70          1HG       PRO  70  -5.513  -8.517   0.443
  585   2HG   PRO  70          2HG       PRO  70  -5.651  -8.922  -1.278
  586   1HD   PRO  70          1HD       PRO  70  -7.594  -7.609   0.087
  587   2HD   PRO  70          2HD       PRO  70  -7.940  -8.690  -1.276
  588    H    GLY  71           H        GLY  71  -7.972 -12.265   2.838
  589   1HA   GLY  71          1HA       GLY  71  -7.319 -10.636   5.063
  590   2HA   GLY  71          2HA       GLY  71  -7.718 -12.345   5.120
  591    H    ALA  72           H        ALA  72  -5.484 -12.931   3.215
  592    HA   ALA  72           HA       ALA  72  -3.345 -12.858   5.221
  593   1HB   ALA  72          1HB       ALA  72  -2.356 -14.729   4.023
  594   2HB   ALA  72          2HB       ALA  72  -3.598 -14.613   2.776
  595   3HB   ALA  72          3HB       ALA  72  -4.039 -15.081   4.419
  596    H    PHE  73           H        PHE  73  -3.612 -10.487   4.093
  597    HA   PHE  73           HA       PHE  73  -1.561 -10.339   1.997
  598   1HB   PHE  73          1HB       PHE  73  -3.793  -9.283   1.556
  599   2HB   PHE  73          2HB       PHE  73  -3.494  -8.193   2.903
  600    HD1  PHE  73           HD1      PHE  73  -1.705  -6.495   2.742
  601    HD2  PHE  73           HD2      PHE  73  -2.780  -8.958  -0.556
  602    HE1  PHE  73           HE1      PHE  73  -0.570  -4.937   1.215
  603    HE2  PHE  73           HE2      PHE  73  -1.647  -7.406  -2.089
  604    HZ   PHE  73           HZ       PHE  73  -0.545  -5.392  -1.203
  605    H    ALA  74           H        ALA  74   0.406  -9.762   2.614
  606    HA   ALA  74           HA       ALA  74   0.782  -7.743   4.661
  607   1HB   ALA  74          1HB       ALA  74   0.697  -9.798   5.984
  608   2HB   ALA  74          2HB       ALA  74   2.316  -9.100   5.999
  609   3HB   ALA  74          3HB       ALA  74   1.967 -10.500   4.985
  610    H    VAL  75           H        VAL  75   2.140  -6.365   3.739
  611    HA   VAL  75           HA       VAL  75   4.271  -7.472   2.021
  612    HB   VAL  75           HB       VAL  75   4.346  -5.280   0.882
  613   1HG1  VAL  75          1HG1      VAL  75   1.643  -6.617   0.862
  614   2HG1  VAL  75          2HG1      VAL  75   3.056  -7.110  -0.070
  615   3HG1  VAL  75          3HG1      VAL  75   2.280  -5.562  -0.399
  616   1HG2  VAL  75          1HG2      VAL  75   2.481  -3.700   1.188
  617   2HG2  VAL  75          2HG2      VAL  75   3.463  -3.863   2.644
  618   3HG2  VAL  75          3HG2      VAL  75   1.900  -4.671   2.540
  619    H    ALA  76           H        ALA  76   3.594  -5.671   4.861
  620    HA   ALA  76           HA       ALA  76   5.860  -4.027   5.009
  621   1HB   ALA  76          1HB       ALA  76   5.434  -3.847   7.372
  622   2HB   ALA  76          2HB       ALA  76   4.413  -5.283   7.335
  623   3HB   ALA  76          3HB       ALA  76   3.905  -3.819   6.496
  624    HA   PRO  77           HA       PRO  77   8.013  -7.689   7.499
  625   1HB   PRO  77          1HB       PRO  77   6.750  -9.971   6.077
  626   2HB   PRO  77          2HB       PRO  77   7.227  -9.827   7.773
  627   1HG   PRO  77          1HG       PRO  77   4.665  -9.714   7.077
  628   2HG   PRO  77          2HG       PRO  77   5.308  -8.652   8.347
  629   1HD   PRO  77          1HD       PRO  77   4.654  -8.023   5.496
  630   2HD   PRO  77          2HD       PRO  77   4.389  -7.050   6.956
  631    H    TYR  78           H        TYR  78   7.050  -7.894   4.111
  632    HA   TYR  78           HA       TYR  78   9.544  -9.157   3.381
  633   1HB   TYR  78          1HB       TYR  78   7.465  -9.701   2.143
  634   2HB   TYR  78          2HB       TYR  78   7.411  -8.039   1.550
  635    HD1  TYR  78           HD2      TYR  78   9.709 -10.969   1.691
  636    HD2  TYR  78           HD1      TYR  78   8.430  -7.549  -0.492
  637    HE1  TYR  78           HE2      TYR  78  11.226 -11.581  -0.141
  638    HE2  TYR  78           HE1      TYR  78   9.955  -8.149  -2.331
  639    HH   TYR  78           HH       TYR  78  11.944  -9.434  -2.713
  640    H    TYR  79           H        TYR  79   8.012  -5.974   2.871
  641    HA   TYR  79           HA       TYR  79  10.208  -4.887   1.448
  642   1HB   TYR  79          1HB       TYR  79   7.831  -3.700   2.821
  643   2HB   TYR  79          2HB       TYR  79   9.136  -2.651   2.277
  644    HD1  TYR  79           HD2      TYR  79   9.957  -3.359  -0.238
  645    HD2  TYR  79           HD1      TYR  79   6.044  -3.852   1.362
  646    HE1  TYR  79           HE2      TYR  79   9.032  -3.349  -2.514
  647    HE2  TYR  79           HE1      TYR  79   5.111  -3.849  -0.914
  648    HH   TYR  79           HH       TYR  79   6.976  -4.227  -3.668
  649    H    GLU  80           H        GLU  80   9.620  -5.348   4.830
  650    HA   GLU  80           HA       GLU  80  11.487  -3.586   5.920
  651   1HB   GLU  80          1HB       GLU  80   9.922  -4.970   7.251
  652   2HB   GLU  80          2HB       GLU  80  10.842  -6.405   6.822
  653   1HG   GLU  80          1HG       GLU  80  12.799  -5.470   7.972
  654   2HG   GLU  80          2HG       GLU  80  11.830  -4.073   8.445
  655    H    MET  81           H        MET  81  11.886  -6.710   4.374
  656    HA   MET  81           HA       MET  81  14.760  -6.727   4.866
  657   1HB   MET  81          1HB       MET  81  13.053  -8.689   3.323
  658   2HB   MET  81          2HB       MET  81  14.722  -8.926   3.817
  659   1HG   MET  81          1HG       MET  81  14.060  -8.931   6.148
  660   2HG   MET  81          2HG       MET  81  12.388  -8.615   5.688
  661   1HE   MET  81          1HE       MET  81  11.547 -11.908   3.670
  662   2HE   MET  81          2HE       MET  81  12.198 -10.395   3.037
  663   3HE   MET  81          3HE       MET  81  10.906 -10.367   4.238
  664    H    ALA  82           H        ALA  82  12.452  -6.322   2.258
  665    HA   ALA  82           HA       ALA  82  14.265  -6.425   0.106
  666   1HB   ALA  82          1HB       ALA  82  11.844  -6.677  -0.163
  667   2HB   ALA  82          2HB       ALA  82  12.491  -5.417  -1.213
  668   3HB   ALA  82          3HB       ALA  82  11.627  -4.979   0.260
  669    H    LEU  83           H        LEU  83  13.254  -3.824   2.228
  670    HA   LEU  83           HA       LEU  83  14.942  -1.952   0.734
  671   1HB   LEU  83          1HB       LEU  83  12.582  -1.326   1.310
  672   2HB   LEU  83          2HB       LEU  83  13.037  -1.373   3.002
  673    HG   LEU  83           HG       LEU  83  14.570   0.476   2.698
  674   1HD1  LEU  83          1HD1      LEU  83  15.322  -0.042   0.432
  675   2HD1  LEU  83          2HD1      LEU  83  14.772   1.628   0.559
  676   3HD1  LEU  83          3HD1      LEU  83  13.741   0.416  -0.204
  677   1HD2  LEU  83          1HD2      LEU  83  11.875   0.994   1.444
  678   2HD2  LEU  83          2HD2      LEU  83  12.955   2.226   2.101
  679   3HD2  LEU  83          3HD2      LEU  83  12.249   1.011   3.169
  680    H    ALA  84           H        ALA  84  16.880  -1.512   1.438
  681    HA   ALA  84           HA       ALA  84  18.170  -2.929   3.418
  682   1HB   ALA  84          1HB       ALA  84  18.964  -0.256   2.277
  683   2HB   ALA  84          2HB       ALA  84  19.294  -1.827   1.549
  684   3HB   ALA  84          3HB       ALA  84  20.032  -1.397   3.092
  685    H    THR  85           H        THR  85  18.596  -2.692   5.519
  686    HA   THR  85           HA       THR  85  17.030  -1.053   7.156
  687    HB   THR  85           HB       THR  85  18.580  -1.798   8.973
  688    HG1  THR  85           HG1      THR  85  20.048  -2.611   6.738
  689   1HG2  THR  85          1HG2      THR  85  16.643  -3.151   8.356
  690   2HG2  THR  85          2HG2      THR  85  18.002  -4.176   8.818
  691   3HG2  THR  85          3HG2      THR  85  17.599  -3.962   7.115
  692    H    ASP  86           H        ASP  86  20.145  -0.553   5.687
  693    HA   ASP  86           HA       ASP  86  20.899   1.634   7.384
  694   1HB   ASP  86          1HB       ASP  86  22.784   1.858   5.823
  695   2HB   ASP  86          2HB       ASP  86  22.606   0.209   6.394
  696    H    HIS  87           H        HIS  87  18.457   1.504   5.385
  697    HA   HIS  87           HA       HIS  87  18.888   4.200   4.278
  698   1HB   HIS  87          1HB       HIS  87  18.248   2.210   2.748
  699   2HB   HIS  87          2HB       HIS  87  16.657   2.329   3.486
  700    HD1  HIS  87           HD1      HIS  87  18.712   3.685   0.812
  701    HD2  HIS  87           HD2      HIS  87  15.360   4.905   2.958
  702    HE1  HIS  87           HE1      HIS  87  17.662   5.523  -0.548
  703    HE2  HIS  87           HE2      HIS  87  15.740   6.362   0.847
  704    HA   PRO  88           HA       PRO  88  16.575   4.774   8.164
  705   1HB   PRO  88          1HB       PRO  88  16.673   7.545   8.041
  706   2HB   PRO  88          2HB       PRO  88  17.891   6.506   8.785
  707   1HG   PRO  88          1HG       PRO  88  17.866   7.750   6.068
  708   2HG   PRO  88          2HG       PRO  88  19.216   7.553   7.201
  709   1HD   PRO  88          1HD       PRO  88  18.951   5.945   5.085
  710   2HD   PRO  88          2HD       PRO  88  19.514   5.314   6.648
  711    H    GLN  89           H        GLN  89  15.778   6.180   5.078
  712    HA   GLN  89           HA       GLN  89  13.326   7.394   5.831
  713   1HB   GLN  89          1HB       GLN  89  14.163   6.407   3.096
  714   2HB   GLN  89          2HB       GLN  89  12.910   7.591   3.444
  715   1HG   GLN  89          1HG       GLN  89  14.530   9.168   4.238
  716   2HG   GLN  89          2HG       GLN  89  15.819   7.971   4.118
  717   1HE2  GLN  89          1HE2      GLN  89  15.638  10.584   2.872
  718   2HE2  GLN  89          2HE2      GLN  89  15.743  10.316   1.162
  719    H    ARG  90           H        ARG  90  14.194   4.161   5.558
  720    HA   ARG  90           HA       ARG  90  11.898   2.974   4.432
  721   1HB   ARG  90          1HB       ARG  90  12.713   0.902   5.385
  722   2HB   ARG  90          2HB       ARG  90  14.075   1.824   4.760
  723   1HG   ARG  90          1HG       ARG  90  14.381   2.672   7.143
  724   2HG   ARG  90          2HG       ARG  90  13.269   1.389   7.617
  725   1HD   ARG  90          1HD       ARG  90  15.802   0.939   6.054
  726   2HD   ARG  90          2HD       ARG  90  15.695   0.815   7.806
  727    HE   ARG  90           HE       ARG  90  14.502  -1.011   5.851
  728   1HH1  ARG  90          1HH1      ARG  90  15.065  -0.110   9.185
  729   2HH1  ARG  90          2HH1      ARG  90  14.787  -1.715   9.801
  730   1HH2  ARG  90          1HH2      ARG  90  14.173  -3.139   6.650
  731   2HH2  ARG  90          2HH2      ARG  90  14.318  -3.441   8.359
  732    H    ALA  91           H        ALA  91  12.567   4.196   7.620
  733    HA   ALA  91           HA       ALA  91  10.777   2.638   9.110
  734   1HB   ALA  91          1HB       ALA  91  12.588   3.966  10.092
  735   2HB   ALA  91          2HB       ALA  91  11.030   4.306  10.846
  736   3HB   ALA  91          3HB       ALA  91  11.713   5.442   9.682
  737    H    LEU  92           H        LEU  92  10.301   5.617   7.304
  738    HA   LEU  92           HA       LEU  92   7.672   6.086   8.333
  739   1HB   LEU  92          1HB       LEU  92   8.984   7.174   5.840
  740   2HB   LEU  92          2HB       LEU  92   7.512   7.784   6.575
  741    HG   LEU  92           HG       LEU  92  10.259   7.846   7.827
  742   1HD1  LEU  92          1HD1      LEU  92  10.043   9.405   5.980
  743   2HD1  LEU  92          2HD1      LEU  92  10.083  10.264   7.520
  744   3HD1  LEU  92          3HD1      LEU  92   8.551  10.044   6.673
  745   1HD2  LEU  92          1HD2      LEU  92   7.626   8.946   8.806
  746   2HD2  LEU  92          2HD2      LEU  92   9.198   9.227   9.551
  747   3HD2  LEU  92          3HD2      LEU  92   8.522   7.600   9.510
  748    H    ILE  93           H        ILE  93   9.022   4.559   5.468
  749    HA   ILE  93           HA       ILE  93   6.575   4.116   4.119
  750    HB   ILE  93           HB       ILE  93   9.140   2.528   3.912
  751   1HG1  ILE  93          1HG1      ILE  93   8.175   4.890   2.282
  752   2HG1  ILE  93          2HG1      ILE  93   9.454   4.944   3.490
  753   1HG2  ILE  93          1HG2      ILE  93   7.231   1.350   2.968
  754   2HG2  ILE  93          2HG2      ILE  93   8.312   1.903   1.690
  755   3HG2  ILE  93          3HG2      ILE  93   6.810   2.770   2.011
  756   1HD1  ILE  93          1HD1      ILE  93   9.513   3.347   0.940
  757   2HD1  ILE  93          2HD1      ILE  93  10.799   3.425   2.144
  758   3HD1  ILE  93          3HD1      ILE  93  10.352   4.869   1.234
  759    H    LEU  94           H        LEU  94   8.563   2.065   6.232
  760    HA   LEU  94           HA       LEU  94   6.893  -0.193   6.188
  761   1HB   LEU  94          1HB       LEU  94   8.772   0.766   8.350
  762   2HB   LEU  94          2HB       LEU  94   8.043  -0.829   8.294
  763    HG   LEU  94           HG       LEU  94   9.939   0.280   6.219
  764   1HD1  LEU  94          1HD1      LEU  94  10.397  -1.784   8.367
  765   2HD1  LEU  94          2HD1      LEU  94  11.048  -0.145   8.356
  766   3HD1  LEU  94          3HD1      LEU  94  11.552  -1.301   7.124
  767   1HD2  LEU  94          1HD2      LEU  94   8.770  -2.479   6.556
  768   2HD2  LEU  94          2HD2      LEU  94   9.969  -2.001   5.353
  769   3HD2  LEU  94          3HD2      LEU  94   8.344  -1.320   5.297
  770    H    ALA  95           H        ALA  95   6.782   2.758   8.058
  771    HA   ALA  95           HA       ALA  95   4.935   2.007  10.025
  772   1HB   ALA  95          1HB       ALA  95   4.478   4.383  10.269
  773   2HB   ALA  95          2HB       ALA  95   5.258   4.706   8.719
  774   3HB   ALA  95          3HB       ALA  95   6.211   4.105  10.076
  775    H    GLU  96           H        GLU  96   4.382   3.491   6.823
  776    HA   GLU  96           HA       GLU  96   1.550   3.401   7.052
  777   1HB   GLU  96          1HB       GLU  96   3.357   3.679   4.655
  778   2HB   GLU  96          2HB       GLU  96   1.603   3.769   4.559
  779   1HG   GLU  96          1HG       GLU  96   3.476   5.636   5.975
  780   2HG   GLU  96          2HG       GLU  96   2.388   5.988   4.636
  781    H    LEU  97           H        LEU  97   3.940   1.103   6.046
  782    HA   LEU  97           HA       LEU  97   2.137  -0.685   4.756
  783   1HB   LEU  97          1HB       LEU  97   4.841  -1.182   5.995
  784   2HB   LEU  97          2HB       LEU  97   3.960  -2.348   5.025
  785    HG   LEU  97           HG       LEU  97   5.045   0.305   4.085
  786   1HD1  LEU  97          1HD1      LEU  97   6.742  -1.416   4.408
  787   2HD1  LEU  97          2HD1      LEU  97   6.510  -1.052   2.699
  788   3HD1  LEU  97          3HD1      LEU  97   5.821  -2.521   3.390
  789   1HD2  LEU  97          1HD2      LEU  97   4.278  -0.378   1.867
  790   2HD2  LEU  97          2HD2      LEU  97   2.933  -0.198   2.990
  791   3HD2  LEU  97          3HD2      LEU  97   3.518  -1.806   2.569
  792    H    GLU  98           H        GLU  98   3.380  -0.368   8.067
  793    HA   GLU  98           HA       GLU  98   2.195  -2.600   9.228
  794   1HB   GLU  98          1HB       GLU  98   2.519   0.178  10.380
  795   2HB   GLU  98          2HB       GLU  98   2.041  -1.227  11.318
  796   1HG   GLU  98          1HG       GLU  98   4.207  -2.289  10.656
  797   2HG   GLU  98          2HG       GLU  98   4.671  -0.735   9.959
  798    H    LYS  99           H        LYS  99   0.846   0.590   8.555
  799    HA   LYS  99           HA       LYS  99  -1.707   0.119   9.647
  800   1HB   LYS  99          1HB       LYS  99  -0.878   1.992   7.423
  801   2HB   LYS  99          2HB       LYS  99  -2.425   2.041   8.257
  802   1HG   LYS  99          1HG       LYS  99  -1.252   2.494  10.367
  803   2HG   LYS  99          2HG       LYS  99   0.281   2.503   9.492
  804   1HD   LYS  99          1HD       LYS  99  -0.571   4.368   8.104
  805   2HD   LYS  99          2HD       LYS  99  -2.038   4.389   9.086
  806   1HE   LYS  99          1HE       LYS  99  -0.538   6.099   9.874
  807   2HE   LYS  99          2HE       LYS  99  -0.650   4.823  11.083
  808   1HZ   LYS  99          1HZ       LYS  99   1.556   5.185   9.122
  809   2HZ   LYS  99          2HZ       LYS  99   1.445   3.923  10.256
  810   3HZ   LYS  99          3HZ       LYS  99   1.632   5.520  10.785
  811    H    LEU 100           H        LEU 100  -0.541  -0.117   6.295
  812    HA   LEU 100           HA       LEU 100  -2.955  -0.812   5.086
  813   1HB   LEU 100          1HB       LEU 100  -0.865  -0.125   3.921
  814   2HB   LEU 100          2HB       LEU 100  -0.187  -1.702   4.273
  815    HG   LEU 100           HG       LEU 100  -2.030  -2.730   2.932
  816   1HD1  LEU 100          1HD1      LEU 100  -3.676  -0.973   3.080
  817   2HD1  LEU 100          2HD1      LEU 100  -3.260  -1.248   1.388
  818   3HD1  LEU 100          3HD1      LEU 100  -2.603   0.148   2.241
  819   1HD2  LEU 100          1HD2      LEU 100  -1.072  -2.128   0.765
  820   2HD2  LEU 100          2HD2      LEU 100   0.183  -2.370   1.980
  821   3HD2  LEU 100          3HD2      LEU 100  -0.277  -0.735   1.501
  822    H    ASP 101           H        ASP 101  -0.319  -2.992   6.100
  823    HA   ASP 101           HA       ASP 101  -1.568  -5.407   5.504
  824   1HB   ASP 101          1HB       ASP 101   0.504  -4.676   7.566
  825   2HB   ASP 101          2HB       ASP 101  -0.061  -6.329   7.370
  826    H    ALA 102           H        ALA 102  -1.751  -3.413   8.406
  827    HA   ALA 102           HA       ALA 102  -3.200  -5.319   9.952
  828   1HB   ALA 102          1HB       ALA 102  -3.540  -3.513  11.537
  829   2HB   ALA 102          2HB       ALA 102  -2.979  -2.341  10.345
  830   3HB   ALA 102          3HB       ALA 102  -1.866  -3.548  10.986
  831    H    LEU 103           H        LEU 103  -4.116  -3.182   7.448
  832    HA   LEU 103           HA       LEU 103  -6.871  -2.956   8.299
  833   1HB   LEU 103          1HB       LEU 103  -5.550  -2.239   5.683
  834   2HB   LEU 103          2HB       LEU 103  -7.218  -1.887   6.092
  835    HG   LEU 103           HG       LEU 103  -4.780  -0.778   7.482
  836   1HD1  LEU 103          1HD1      LEU 103  -6.817   0.561   5.717
  837   2HD1  LEU 103          2HD1      LEU 103  -5.161   0.160   5.260
  838   3HD1  LEU 103          3HD1      LEU 103  -5.463   1.346   6.532
  839   1HD2  LEU 103          1HD2      LEU 103  -7.705  -0.234   7.965
  840   2HD2  LEU 103          2HD2      LEU 103  -6.359   0.617   8.721
  841   3HD2  LEU 103          3HD2      LEU 103  -6.614  -1.097   9.050
  842    H    PHE 104           H        PHE 104  -4.990  -4.911   6.042
  843    HA   PHE 104           HA       PHE 104  -7.285  -6.286   5.013
  844   1HB   PHE 104          1HB       PHE 104  -4.354  -7.027   5.011
  845   2HB   PHE 104          2HB       PHE 104  -5.604  -7.966   4.198
  846    HD1  PHE 104           HD1      PHE 104  -6.822  -7.009   2.280
  847    HD2  PHE 104           HD2      PHE 104  -3.554  -4.981   4.102
  848    HE1  PHE 104           HE1      PHE 104  -6.633  -5.550   0.312
  849    HE2  PHE 104           HE2      PHE 104  -3.362  -3.518   2.135
  850    HZ   PHE 104           HZ       PHE 104  -4.905  -3.802   0.238
  851    H    ALA 105           H        ALA 105  -5.300  -6.595   7.811
  852    HA   ALA 105           HA       ALA 105  -6.561  -9.130   8.552
  853   1HB   ALA 105          1HB       ALA 105  -4.404  -7.546   9.947
  854   2HB   ALA 105          2HB       ALA 105  -4.143  -8.919   8.872
  855   3HB   ALA 105          3HB       ALA 105  -4.976  -9.149  10.409
  856    H    ASP 106           H        ASP 106  -7.757  -6.285   8.471
  857    HA   ASP 106           HA       ASP 106  -8.393  -5.762  11.248
  858   1HB   ASP 106          1HB       ASP 106  -8.066  -3.837   9.858
  859   2HB   ASP 106          2HB       ASP 106  -9.221  -4.425   8.668
  860    H    ASP 107           H        ASP 107 -10.051  -6.959   8.369
  861    HA   ASP 107           HA       ASP 107 -12.484  -7.364   9.948
  862   1HB   ASP 107          1HB       ASP 107 -12.694  -6.214   7.757
  863   2HB   ASP 107          2HB       ASP 107 -12.073  -7.658   6.962
  864    H    ALA 108           H        ALA 108 -13.367  -9.345  10.313
  865    HA   ALA 108           HA       ALA 108 -11.785 -11.675   9.430
  866   1HB   ALA 108          1HB       ALA 108 -13.186 -11.322  12.081
  867   2HB   ALA 108          2HB       ALA 108 -11.446 -11.221  11.814
  868   3HB   ALA 108          3HB       ALA 108 -12.289 -12.750  11.563
  869    H    SER 109           H        SER 109 -14.223 -10.354   8.323
  870    HA   SER 109           HA       SER 109 -16.005 -12.694   8.375
  871   1HB   SER 109          1HB       SER 109 -17.924 -11.011   8.261
  872   2HB   SER 109          2HB       SER 109 -17.105 -11.154   9.816
  873    HG   SER 109           HG       SER 109 -15.930  -9.299   8.192
  874    H    LEU 110           H        LEU 110 -13.969 -11.801   6.513
  875    HA   LEU 110           HA       LEU 110 -14.750 -10.400   4.306
  876   1HB   LEU 110          1HB       LEU 110 -13.112 -12.932   4.295
  877   2HB   LEU 110          2HB       LEU 110 -13.106 -11.692   3.056
  878    HG   LEU 110           HG       LEU 110 -12.222 -11.239   5.905
  879   1HD1  LEU 110          1HD1      LEU 110  -9.950 -11.261   5.010
  880   2HD1  LEU 110          2HD1      LEU 110 -10.576 -11.716   3.425
  881   3HD1  LEU 110          3HD1      LEU 110 -10.743 -12.821   4.791
  882   1HD2  LEU 110          1HD2      LEU 110 -11.949  -9.558   3.415
  883   2HD2  LEU 110          2HD2      LEU 110 -11.249  -9.182   4.988
  884   3HD2  LEU 110          3HD2      LEU 110 -13.000  -9.222   4.790
  885    H    GLU 111           H        GLU 111 -16.097 -10.665   2.648
  886    HA   GLU 111           HA       GLU 111 -18.104 -12.613   2.659
  887   1HB   GLU 111          1HB       GLU 111 -17.202 -10.551   0.687
  888   2HB   GLU 111          2HB       GLU 111 -18.404 -11.740   0.205
  889   1HG   GLU 111          1HG       GLU 111 -18.649  -9.878   2.556
  890   2HG   GLU 111          2HG       GLU 111 -19.413  -9.652   0.981
  891    H    HIS 112           H        HIS 112 -18.497 -14.385   1.424
  892    HA   HIS 112           HA       HIS 112 -16.192 -15.504  -0.027
  893   1HB   HIS 112          1HB       HIS 112 -18.440 -16.992   1.360
  894   2HB   HIS 112          2HB       HIS 112 -17.102 -17.734   0.497
  895    HD1  HIS 112           HD1      HIS 112 -14.880 -17.960   1.734
  896    HD2  HIS 112           HD2      HIS 112 -17.770 -15.880   3.882
  897    HE1  HIS 112           HE1      HIS 112 -13.967 -17.741   4.068
  898    HE2  HIS 112           HE2      HIS 112 -15.830 -16.673   5.395
  899    H    HIS 113           H        HIS 113 -16.716 -16.817  -1.903
  900    HA   HIS 113           HA       HIS 113 -18.702 -15.638  -3.563
  901   1HB   HIS 113          1HB       HIS 113 -16.934 -18.061  -3.884
  902   2HB   HIS 113          2HB       HIS 113 -18.112 -17.600  -5.107
  903    HD1  HIS 113           HD1      HIS 113 -14.934 -16.351  -3.468
  904    HD2  HIS 113           HD2      HIS 113 -17.333 -15.563  -6.777
  905    HE1  HIS 113           HE1      HIS 113 -13.634 -14.729  -4.881
  906    HE2  HIS 113           HE2      HIS 113 -15.017 -14.427  -6.963
  907    H    HIS 114           H        HIS 114 -18.504 -18.703  -1.806
  908    HA   HIS 114           HA       HIS 114 -21.403 -19.025  -2.256
  909   1HB   HIS 114          1HB       HIS 114 -20.028 -20.838  -3.270
  910   2HB   HIS 114          2HB       HIS 114 -19.376 -21.201  -1.677
  911    HD1  HIS 114           HD1      HIS 114 -22.476 -21.546  -3.756
  912    HD2  HIS 114           HD2      HIS 114 -21.078 -22.654   0.005
  913    HE1  HIS 114           HE1      HIS 114 -24.137 -23.215  -2.878
  914    HE2  HIS 114           HE2      HIS 114 -23.333 -23.805  -0.565
  915    H    HIS 115           H        HIS 115 -22.484 -18.435  -0.499
  916    HA   HIS 115           HA       HIS 115 -21.190 -18.429   2.098
  917   1HB   HIS 115          1HB       HIS 115 -23.652 -17.276   0.928
  918   2HB   HIS 115          2HB       HIS 115 -23.711 -17.655   2.644
  919    HD1  HIS 115           HD1      HIS 115 -22.729 -15.985   4.194
  920    HD2  HIS 115           HD2      HIS 115 -21.522 -15.397   0.254
  921    HE1  HIS 115           HE1      HIS 115 -21.453 -13.817   4.191
  922    HE2  HIS 115           HE2      HIS 115 -21.020 -13.341   1.751
  923    H    HIS 116           H        HIS 116 -22.190 -19.313   3.996
  924    HA   HIS 116           HA       HIS 116 -24.082 -21.517   3.509
  925   1HB   HIS 116          1HB       HIS 116 -21.611 -21.478   5.209
  926   2HB   HIS 116          2HB       HIS 116 -22.985 -22.459   5.710
  927    HD1  HIS 116           HD1      HIS 116 -23.350 -24.649   4.537
  928    HD2  HIS 116           HD2      HIS 116 -20.436 -22.301   2.721
  929    HE1  HIS 116           HE1      HIS 116 -22.268 -26.123   2.811
  930    HE2  HIS 116           HE2      HIS 116 -20.406 -24.731   1.828
  931    H    HIS 117           H        HIS 117 -25.919 -21.298   4.564
  932    HA   HIS 117           HA       HIS 117 -27.566 -20.385   5.822
  933   1HB   HIS 117          1HB       HIS 117 -25.296 -20.001   7.777
  934   2HB   HIS 117          2HB       HIS 117 -26.971 -19.615   8.156
  935    HD1  HIS 117           HD1      HIS 117 -24.589 -22.281   8.402
  936    HD2  HIS 117           HD2      HIS 117 -28.696 -22.029   7.795
  937    HE1  HIS 117           HE1      HIS 117 -25.503 -24.561   8.964
  938    HE2  HIS 117           HE2      HIS 117 -27.961 -24.427   8.415
  Start of MODEL   17
    1   1H    MET   1          1H        MET   1 -17.582   1.905  10.828
    2   2H    MET   1          2H        MET   1 -18.762   0.735  11.175
    3   3H    MET   1          3H        MET   1 -18.749   1.509   9.666
    4    HA   MET   1           HA       MET   1 -16.643  -0.290  10.700
    5   1HB   MET   1          1HB       MET   1 -18.761  -0.693   8.583
    6   2HB   MET   1          2HB       MET   1 -17.379  -1.757   8.796
    7   1HG   MET   1          1HG       MET   1 -19.498  -1.212  10.863
    8   2HG   MET   1          2HG       MET   1 -19.405  -2.644   9.839
    9   1HE   MET   1          1HE       MET   1 -17.481  -4.493  10.039
   10   2HE   MET   1          2HE       MET   1 -16.080  -4.308  11.094
   11   3HE   MET   1          3HE       MET   1 -16.311  -3.212   9.732
   12    H    THR   2           H        THR   2 -17.863   0.757   7.522
   13    HA   THR   2           HA       THR   2 -16.752   1.400   5.635
   14    HB   THR   2           HB       THR   2 -15.171   3.476   6.297
   15    HG1  THR   2           HG1      THR   2 -15.260   3.558   8.452
   16   1HG2  THR   2          1HG2      THR   2 -18.191   3.474   6.354
   17   2HG2  THR   2          2HG2      THR   2 -17.179   3.583   4.912
   18   3HG2  THR   2          3HG2      THR   2 -17.168   4.888   6.100
   19    H    THR   3           H        THR   3 -15.503  -0.846   6.428
   20    HA   THR   3           HA       THR   3 -12.759  -0.585   7.037
   21    HB   THR   3           HB       THR   3 -14.156  -2.898   5.676
   22    HG1  THR   3           HG1      THR   3 -14.141  -3.659   7.972
   23   1HG2  THR   3          1HG2      THR   3 -11.711  -3.015   5.542
   24   2HG2  THR   3          2HG2      THR   3 -12.347  -4.247   6.631
   25   3HG2  THR   3          3HG2      THR   3 -11.603  -2.790   7.288
   26    H    HIS   4           H        HIS   4 -14.537  -0.815   4.000
   27    HA   HIS   4           HA       HIS   4 -12.277  -1.077   2.313
   28   1HB   HIS   4          1HB       HIS   4 -15.011   0.076   1.717
   29   2HB   HIS   4          2HB       HIS   4 -13.798  -0.308   0.503
   30    HD1  HIS   4           HD1      HIS   4 -16.626  -1.715   2.254
   31    HD2  HIS   4           HD2      HIS   4 -13.169  -3.189   0.468
   32    HE1  HIS   4           HE1      HIS   4 -17.037  -4.174   1.899
   33    HE2  HIS   4           HE2      HIS   4 -14.868  -5.069   0.969
   34    H    ASP   5           H        ASP   5 -13.973   1.688   3.663
   35    HA   ASP   5           HA       ASP   5 -12.593   3.602   2.050
   36   1HB   ASP   5          1HB       ASP   5 -14.876   3.918   3.146
   37   2HB   ASP   5          2HB       ASP   5 -13.999   4.192   4.650
   38    H    ARG   6           H        ARG   6 -12.222   2.325   5.323
   39    HA   ARG   6           HA       ARG   6 -10.142   3.977   6.183
   40   1HB   ARG   6          1HB       ARG   6 -10.801   1.108   6.840
   41   2HB   ARG   6          2HB       ARG   6  -9.450   1.950   7.586
   42   1HG   ARG   6          1HG       ARG   6 -11.041   3.664   8.414
   43   2HG   ARG   6          2HG       ARG   6 -12.363   2.689   7.766
   44   1HD   ARG   6          1HD       ARG   6 -10.356   1.663   9.770
   45   2HD   ARG   6          2HD       ARG   6 -11.895   2.393  10.223
   46    HE   ARG   6           HE       ARG   6 -12.891   0.543   8.789
   47   1HH1  ARG   6          1HH1      ARG   6  -9.899   0.203  10.593
   48   2HH1  ARG   6          2HH1      ARG   6 -10.079  -1.514  10.791
   49   1HH2  ARG   6          1HH2      ARG   6 -13.114  -1.728   9.063
   50   2HH2  ARG   6          2HH2      ARG   6 -11.885  -2.612   9.930
   51    H    VAL   7           H        VAL   7 -10.003   0.907   4.400
   52    HA   VAL   7           HA       VAL   7  -7.203   0.806   4.124
   53    HB   VAL   7           HB       VAL   7  -9.351  -0.308   2.304
   54   1HG1  VAL   7          1HG1      VAL   7  -6.426  -1.032   2.440
   55   2HG1  VAL   7          2HG1      VAL   7  -7.192  -0.116   1.144
   56   3HG1  VAL   7          3HG1      VAL   7  -7.645  -1.798   1.422
   57   1HG2  VAL   7          1HG2      VAL   7  -8.903  -2.417   3.467
   58   2HG2  VAL   7          2HG2      VAL   7  -9.466  -1.166   4.576
   59   3HG2  VAL   7          3HG2      VAL   7  -7.755  -1.587   4.518
   60    H    ARG   8           H        ARG   8  -9.724   2.283   2.148
   61    HA   ARG   8           HA       ARG   8  -8.170   3.078  -0.030
   62   1HB   ARG   8          1HB       ARG   8 -10.649   3.123   0.053
   63   2HB   ARG   8          2HB       ARG   8 -10.566   4.501   1.141
   64   1HG   ARG   8          1HG       ARG   8  -9.395   5.770  -0.633
   65   2HG   ARG   8          2HG       ARG   8  -9.633   4.398  -1.717
   66   1HD   ARG   8          1HD       ARG   8 -11.351   6.047  -2.112
   67   2HD   ARG   8          2HD       ARG   8 -12.065   4.600  -1.401
   68    HE   ARG   8           HE       ARG   8 -12.420   5.779   0.609
   69   1HH1  ARG   8          1HH1      ARG   8 -10.988   7.781  -1.890
   70   2HH1  ARG   8          2HH1      ARG   8 -11.386   9.275  -1.094
   71   1HH2  ARG   8          1HH2      ARG   8 -12.934   7.715   1.660
   72   2HH2  ARG   8          2HH2      ARG   8 -12.480   9.243   0.948
   73    H    LEU   9           H        LEU   9  -8.899   4.768   3.003
   74    HA   LEU   9           HA       LEU   9  -7.618   7.190   2.366
   75   1HB   LEU   9          1HB       LEU   9  -8.025   5.934   5.081
   76   2HB   LEU   9          2HB       LEU   9  -7.631   7.615   4.784
   77    HG   LEU   9           HG       LEU   9 -10.191   6.228   3.986
   78   1HD1  LEU   9          1HD1      LEU   9  -9.616   8.314   6.080
   79   2HD1  LEU   9          2HD1      LEU   9 -10.035   6.628   6.375
   80   3HD1  LEU   9          3HD1      LEU   9 -11.214   7.714   5.639
   81   1HD2  LEU   9          1HD2      LEU   9  -9.548   7.940   2.365
   82   2HD2  LEU   9          2HD2      LEU   9  -9.368   9.111   3.671
   83   3HD2  LEU   9          3HD2      LEU   9 -10.955   8.438   3.303
   84    H    GLN  10           H        GLN  10  -6.415   4.191   3.760
   85    HA   GLN  10           HA       GLN  10  -3.822   5.250   4.350
   86   1HB   GLN  10          1HB       GLN  10  -5.187   2.684   4.607
   87   2HB   GLN  10          2HB       GLN  10  -3.486   2.523   4.187
   88   1HG   GLN  10          1HG       GLN  10  -4.336   2.677   6.696
   89   2HG   GLN  10          2HG       GLN  10  -2.774   3.313   6.185
   90   1HE2  GLN  10          1HE2      GLN  10  -2.424   5.502   6.170
   91   2HE2  GLN  10          2HE2      GLN  10  -3.555   6.643   6.830
   92    H    LEU  11           H        LEU  11  -5.278   3.650   1.588
   93    HA   LEU  11           HA       LEU  11  -2.916   3.300   0.081
   94   1HB   LEU  11          1HB       LEU  11  -5.737   3.879  -0.827
   95   2HB   LEU  11          2HB       LEU  11  -4.428   3.433  -1.903
   96    HG   LEU  11           HG       LEU  11  -5.530   1.693   0.304
   97   1HD1  LEU  11          1HD1      LEU  11  -5.868   1.521  -2.684
   98   2HD1  LEU  11          2HD1      LEU  11  -7.113   2.005  -1.531
   99   3HD1  LEU  11          3HD1      LEU  11  -6.472   0.362  -1.502
  100   1HD2  LEU  11          1HD2      LEU  11  -3.173   1.262  -0.123
  101   2HD2  LEU  11          2HD2      LEU  11  -3.496   1.130  -1.851
  102   3HD2  LEU  11          3HD2      LEU  11  -4.166  -0.061  -0.736
  103    H    GLN  12           H        GLN  12  -5.175   5.998   0.409
  104    HA   GLN  12           HA       GLN  12  -3.840   7.758  -1.354
  105   1HB   GLN  12          1HB       GLN  12  -5.681   8.289   0.978
  106   2HB   GLN  12          2HB       GLN  12  -5.090   9.547  -0.099
  107   1HG   GLN  12          1HG       GLN  12  -6.163   8.433  -1.989
  108   2HG   GLN  12          2HG       GLN  12  -6.757   7.174  -0.907
  109   1HE2  GLN  12          1HE2      GLN  12  -8.174   9.120  -2.611
  110   2HE2  GLN  12          2HE2      GLN  12  -9.256   9.959  -1.548
  111    H    ALA  13           H        ALA  13  -3.403   6.970   2.030
  112    HA   ALA  13           HA       ALA  13  -1.612   9.050   2.685
  113   1HB   ALA  13          1HB       ALA  13  -0.936   7.634   4.557
  114   2HB   ALA  13          2HB       ALA  13  -1.778   6.264   3.833
  115   3HB   ALA  13          3HB       ALA  13  -2.690   7.670   4.387
  116    H    LEU  14           H        LEU  14  -1.052   5.713   1.589
  117    HA   LEU  14           HA       LEU  14   1.731   5.834   1.327
  118   1HB   LEU  14          1HB       LEU  14  -0.316   4.291  -0.268
  119   2HB   LEU  14          2HB       LEU  14   1.413   4.037  -0.401
  120    HG   LEU  14           HG       LEU  14  -0.118   3.690   2.173
  121   1HD1  LEU  14          1HD1      LEU  14  -0.934   2.104   0.517
  122   2HD1  LEU  14          2HD1      LEU  14   0.033   1.288   1.744
  123   3HD1  LEU  14          3HD1      LEU  14   0.721   1.615   0.153
  124   1HD2  LEU  14          1HD2      LEU  14   2.277   4.134   2.418
  125   2HD2  LEU  14          2HD2      LEU  14   2.636   2.805   1.317
  126   3HD2  LEU  14          3HD2      LEU  14   1.879   2.477   2.875
  127    H    GLU  15           H        GLU  15  -0.830   6.596  -0.981
  128    HA   GLU  15           HA       GLU  15   0.714   7.302  -3.187
  129   1HB   GLU  15          1HB       GLU  15  -1.735   7.026  -3.218
  130   2HB   GLU  15          2HB       GLU  15  -1.911   8.491  -2.263
  131   1HG   GLU  15          1HG       GLU  15  -0.838   9.751  -4.115
  132   2HG   GLU  15          2HG       GLU  15  -0.866   8.269  -5.073
  133    H    ALA  16           H        ALA  16  -0.577   9.388  -0.611
  134    HA   ALA  16           HA       ALA  16   0.587  11.778  -1.529
  135   1HB   ALA  16          1HB       ALA  16   0.055  12.676   0.677
  136   2HB   ALA  16          2HB       ALA  16  -0.260  11.044   1.269
  137   3HB   ALA  16          3HB       ALA  16  -1.291  11.744   0.021
  138    H    LEU  17           H        LEU  17   1.712   9.377   0.827
  139    HA   LEU  17           HA       LEU  17   3.949  10.717   1.796
  140   1HB   LEU  17          1HB       LEU  17   2.983   8.539   2.618
  141   2HB   LEU  17          2HB       LEU  17   3.753   7.749   1.260
  142    HG   LEU  17           HG       LEU  17   5.389   9.307   3.247
  143   1HD1  LEU  17          1HD1      LEU  17   4.548   6.421   3.475
  144   2HD1  LEU  17          2HD1      LEU  17   4.042   7.735   4.537
  145   3HD1  LEU  17          3HD1      LEU  17   5.733   7.237   4.494
  146   1HD2  LEU  17          1HD2      LEU  17   6.002   6.936   1.480
  147   2HD2  LEU  17          2HD2      LEU  17   7.142   7.754   2.550
  148   3HD2  LEU  17          3HD2      LEU  17   6.468   8.607   1.162
  149    H    LEU  18           H        LEU  18   3.701   8.515  -0.980
  150    HA   LEU  18           HA       LEU  18   6.408   8.878  -1.770
  151   1HB   LEU  18          1HB       LEU  18   3.994   7.727  -3.135
  152   2HB   LEU  18          2HB       LEU  18   5.549   7.848  -3.942
  153    HG   LEU  18           HG       LEU  18   5.149   6.392  -1.332
  154   1HD1  LEU  18          1HD1      LEU  18   5.229   4.335  -2.654
  155   2HD1  LEU  18          2HD1      LEU  18   5.214   5.291  -4.136
  156   3HD1  LEU  18          3HD1      LEU  18   3.819   5.315  -3.056
  157   1HD2  LEU  18          1HD2      LEU  18   7.426   7.149  -1.757
  158   2HD2  LEU  18          2HD2      LEU  18   7.395   6.393  -3.350
  159   3HD2  LEU  18          3HD2      LEU  18   7.316   5.395  -1.897
  160    H    ARG  19           H        ARG  19   3.391  10.460  -2.586
  161    HA   ARG  19           HA       ARG  19   4.257  11.921  -4.824
  162   1HB   ARG  19          1HB       ARG  19   1.893  11.718  -4.136
  163   2HB   ARG  19          2HB       ARG  19   2.225  12.714  -2.726
  164   1HG   ARG  19          1HG       ARG  19   2.932  14.530  -4.336
  165   2HG   ARG  19          2HG       ARG  19   2.242  13.530  -5.617
  166   1HD   ARG  19          1HD       ARG  19   0.612  15.158  -4.886
  167   2HD   ARG  19          2HD       ARG  19   0.087  13.540  -4.421
  168    HE   ARG  19           HE       ARG  19   1.534  15.141  -2.436
  169   1HH1  ARG  19          1HH1      ARG  19  -1.506  13.765  -3.553
  170   2HH1  ARG  19          2HH1      ARG  19  -2.328  14.065  -2.047
  171   1HH2  ARG  19          1HH2      ARG  19   0.463  15.486  -0.464
  172   2HH2  ARG  19          2HH2      ARG  19  -1.198  15.007  -0.279
  173    H    GLU  20           H        GLU  20   4.351  12.673  -1.357
  174    HA   GLU  20           HA       GLU  20   5.485  15.266  -1.720
  175   1HB   GLU  20          1HB       GLU  20   5.493  13.514   0.744
  176   2HB   GLU  20          2HB       GLU  20   5.834  15.238   0.701
  177   1HG   GLU  20          1HG       GLU  20   3.215  13.883   0.120
  178   2HG   GLU  20          2HG       GLU  20   3.606  14.919   1.491
  179    H    HIS  21           H        HIS  21   6.737  12.083  -1.645
  180    HA   HIS  21           HA       HIS  21   9.488  13.101  -1.503
  181   1HB   HIS  21          1HB       HIS  21   8.347  10.324  -1.164
  182   2HB   HIS  21          2HB       HIS  21  10.073  10.621  -1.361
  183    HD1  HIS  21           HD1      HIS  21  11.267  11.964   0.567
  184    HD2  HIS  21           HD2      HIS  21   7.340  10.837   1.370
  185    HE1  HIS  21           HE1      HIS  21  10.969  12.240   3.051
  186    HE2  HIS  21           HE2      HIS  21   8.542  11.723   3.489
  187    H    GLN  22           H        GLN  22   7.565  13.329  -3.712
  188    HA   GLN  22           HA       GLN  22   7.567  13.399  -5.950
  189   1HB   GLN  22          1HB       GLN  22  10.458  12.540  -5.783
  190   2HB   GLN  22          2HB       GLN  22   9.671  13.325  -7.147
  191   1HG   GLN  22          1HG       GLN  22   9.282  15.305  -5.759
  192   2HG   GLN  22          2HG       GLN  22  10.106  14.513  -4.419
  193   1HE2  GLN  22          1HE2      GLN  22  10.749  16.984  -5.705
  194   2HE2  GLN  22          2HE2      GLN  22  12.362  16.819  -6.327
  195    H    HIS  23           H        HIS  23   9.953  10.847  -6.071
  196    HA   HIS  23           HA       HIS  23   9.923   9.057  -7.521
  197   1HB   HIS  23          1HB       HIS  23   8.282   8.542  -5.109
  198   2HB   HIS  23          2HB       HIS  23   8.249   7.321  -6.376
  199    HD1  HIS  23           HD1      HIS  23  10.269   5.836  -6.632
  200    HD2  HIS  23           HD2      HIS  23  10.849   8.934  -3.911
  201    HE1  HIS  23           HE1      HIS  23  12.409   5.290  -5.423
  202    HE2  HIS  23           HE2      HIS  23  12.849   7.293  -3.959
  203    H    TRP  24           H        TRP  24   6.673   8.500  -6.585
  204    HA   TRP  24           HA       TRP  24   5.092   7.447  -7.947
  205   1HB   TRP  24          1HB       TRP  24   4.383   9.681  -7.046
  206   2HB   TRP  24          2HB       TRP  24   4.763  10.365  -8.623
  207    HD1  TRP  24           HD1      TRP  24   2.840  10.400 -10.312
  208    HE1  TRP  24           HE1      TRP  24   0.544   9.249 -10.523
  209    HE3  TRP  24           HE3      TRP  24   3.154   7.213  -6.315
  210    HZ2  TRP  24           HZ2      TRP  24  -0.929   7.262  -9.174
  211    HZ3  TRP  24           HZ3      TRP  24   1.256   5.725  -5.849
  212    HH2  TRP  24           HH2      TRP  24  -0.744   5.750  -7.249
  213    H    ARG  25           H        ARG  25   5.634  10.136 -10.158
  214    HA   ARG  25           HA       ARG  25   5.342   8.271 -12.351
  215   1HB   ARG  25          1HB       ARG  25   4.073  10.392 -12.321
  216   2HB   ARG  25          2HB       ARG  25   5.586  11.285 -12.382
  217   1HG   ARG  25          1HG       ARG  25   6.073  10.376 -14.571
  218   2HG   ARG  25          2HG       ARG  25   4.609   9.390 -14.509
  219   1HD   ARG  25          1HD       ARG  25   3.253  11.426 -14.387
  220   2HD   ARG  25          2HD       ARG  25   4.717  12.403 -14.458
  221    HE   ARG  25           HE       ARG  25   5.054  11.263 -16.709
  222   1HH1  ARG  25          1HH1      ARG  25   1.894  11.879 -15.325
  223   2HH1  ARG  25          2HH1      ARG  25   1.109  12.072 -16.866
  224   1HH2  ARG  25          1HH2      ARG  25   4.024  11.536 -18.750
  225   2HH2  ARG  25          2HH2      ARG  25   2.318  11.869 -18.808
  226    H    ASN  26           H        ASN  26   7.221   7.164 -12.576
  227    HA   ASN  26           HA       ASN  26   9.820   8.194 -12.582
  228   1HB   ASN  26          1HB       ASN  26   8.806   5.922 -14.312
  229   2HB   ASN  26          2HB       ASN  26  10.463   6.190 -13.786
  230   1HD2  ASN  26          1HD2      ASN  26  11.067   5.604 -11.713
  231   2HD2  ASN  26          2HD2      ASN  26  10.058   4.660 -10.670
  232    H    ASP  27           H        ASP  27  11.160   8.946 -14.258
  233    HA   ASP  27           HA       ASP  27   9.929  10.599 -16.182
  234   1HB   ASP  27          1HB       ASP  27  12.257  10.890 -15.234
  235   2HB   ASP  27          2HB       ASP  27  12.776   9.576 -16.283
  236    H    GLU  28           H        GLU  28  11.597   7.492 -16.465
  237    HA   GLU  28           HA       GLU  28  10.173   7.063 -19.006
  238   1HB   GLU  28          1HB       GLU  28  12.558   7.317 -19.439
  239   2HB   GLU  28          2HB       GLU  28  12.934   6.101 -18.226
  240   1HG   GLU  28          1HG       GLU  28  13.143   5.068 -20.342
  241   2HG   GLU  28          2HG       GLU  28  11.665   4.449 -19.610
  242    HA   PRO  29           HA       PRO  29   8.576   3.686 -16.418
  243   1HB   PRO  29          1HB       PRO  29   6.635   3.481 -18.607
  244   2HB   PRO  29          2HB       PRO  29   6.351   3.762 -16.888
  245   1HG   PRO  29          1HG       PRO  29   5.977   5.682 -18.751
  246   2HG   PRO  29          2HG       PRO  29   6.510   6.045 -17.100
  247   1HD   PRO  29          1HD       PRO  29   8.110   5.901 -19.624
  248   2HD   PRO  29          2HD       PRO  29   8.238   7.044 -18.269
  249    H    GLN  30           H        GLN  30  10.103   2.137 -16.738
  250    HA   GLN  30           HA       GLN  30  10.980   1.232 -19.263
  251   1HB   GLN  30          1HB       GLN  30  11.204  -0.094 -16.555
  252   2HB   GLN  30          2HB       GLN  30  12.090  -0.578 -17.993
  253   1HG   GLN  30          1HG       GLN  30  12.302   2.111 -16.663
  254   2HG   GLN  30          2HG       GLN  30  13.425   0.774 -16.430
  255   1HE2  GLN  30          1HE2      GLN  30  13.210  -0.024 -19.263
  256   2HE2  GLN  30          2HE2      GLN  30  14.169   1.122 -20.137
  257    HA   PRO  31           HA       PRO  31   7.416  -1.282 -20.246
  258   1HB   PRO  31          1HB       PRO  31   8.629  -2.526 -22.400
  259   2HB   PRO  31          2HB       PRO  31   7.778  -0.981 -22.469
  260   1HG   PRO  31          1HG       PRO  31  10.705  -1.528 -22.285
  261   2HG   PRO  31          2HG       PRO  31   9.848  -0.276 -23.203
  262   1HD   PRO  31          1HD       PRO  31  11.119   0.276 -20.898
  263   2HD   PRO  31          2HD       PRO  31   9.609   1.095 -21.354
  264    H    HIS  32           H        HIS  32  10.697  -2.493 -19.810
  265    HA   HIS  32           HA       HIS  32   9.972  -5.248 -19.843
  266   1HB   HIS  32          1HB       HIS  32  12.287  -4.337 -20.284
  267   2HB   HIS  32          2HB       HIS  32  12.433  -4.065 -18.552
  268    HD1  HIS  32           HD1      HIS  32  11.895  -6.919 -20.997
  269    HD2  HIS  32           HD2      HIS  32  13.288  -6.241 -17.137
  270    HE1  HIS  32           HE1      HIS  32  12.815  -9.123 -20.208
  271    HE2  HIS  32           HE2      HIS  32  13.431  -8.741 -17.797
  272    H    GLN  33           H        GLN  33   9.664  -2.794 -17.476
  273    HA   GLN  33           HA       GLN  33   9.878  -4.285 -15.108
  274   1HB   GLN  33          1HB       GLN  33   8.084  -1.937 -15.734
  275   2HB   GLN  33          2HB       GLN  33   8.360  -2.577 -14.121
  276   1HG   GLN  33          1HG       GLN  33  10.719  -2.014 -14.280
  277   2HG   GLN  33          2HG       GLN  33  10.478  -1.416 -15.921
  278   1HE2  GLN  33          1HE2      GLN  33  11.487  -0.020 -13.586
  279   2HE2  GLN  33          2HE2      GLN  33  10.423   1.326 -13.331
  280    H    PHE  34           H        PHE  34   7.085  -3.684 -17.208
  281    HA   PHE  34           HA       PHE  34   5.404  -5.427 -15.641
  282   1HB   PHE  34          1HB       PHE  34   4.927  -4.026 -18.276
  283   2HB   PHE  34          2HB       PHE  34   3.713  -4.971 -17.422
  284    HD1  PHE  34           HD2      PHE  34   2.763  -4.163 -15.320
  285    HD2  PHE  34           HD1      PHE  34   5.557  -1.835 -17.529
  286    HE1  PHE  34           HE2      PHE  34   2.124  -2.172 -14.019
  287    HE2  PHE  34           HE1      PHE  34   4.926   0.160 -16.235
  288    HZ   PHE  34           HZ       PHE  34   3.206  -0.008 -14.477
  289    H    ASN  35           H        ASN  35   7.672  -5.855 -18.113
  290    HA   ASN  35           HA       ASN  35   6.412  -8.196 -19.260
  291   1HB   ASN  35          1HB       ASN  35   9.115  -6.922 -19.693
  292   2HB   ASN  35          2HB       ASN  35   8.655  -8.443 -20.452
  293   1HD2  ASN  35          1HD2      ASN  35   9.319  -5.940 -21.727
  294   2HD2  ASN  35          2HD2      ASN  35   7.920  -5.441 -22.621
  295    H    SER  36           H        SER  36   8.824  -7.501 -16.802
  296    HA   SER  36           HA       SER  36   9.196 -10.304 -16.248
  297   1HB   SER  36          1HB       SER  36   9.655  -8.000 -14.342
  298   2HB   SER  36          2HB       SER  36  10.379  -9.606 -14.283
  299    HG   SER  36           HG       SER  36  11.319  -7.452 -15.465
  300    H    THR  37           H        THR  37   7.017 -10.999 -16.225
  301    HA   THR  37           HA       THR  37   5.075  -9.476 -14.751
  302    HB   THR  37           HB       THR  37   4.717 -11.996 -16.384
  303    HG1  THR  37           HG1      THR  37   5.129  -9.404 -17.072
  304   1HG2  THR  37          1HG2      THR  37   2.348 -11.348 -16.448
  305   2HG2  THR  37          2HG2      THR  37   2.692  -9.982 -15.388
  306   3HG2  THR  37          3HG2      THR  37   2.882 -11.629 -14.790
  307    H    GLN  38           H        GLN  38   6.445 -10.024 -12.834
  308    HA   GLN  38           HA       GLN  38   5.359 -12.370 -11.446
  309   1HB   GLN  38          1HB       GLN  38   7.354 -10.283 -10.541
  310   2HB   GLN  38          2HB       GLN  38   6.825 -11.653  -9.578
  311   1HG   GLN  38          1HG       GLN  38   7.777 -13.166 -11.281
  312   2HG   GLN  38          2HG       GLN  38   8.392 -11.751 -12.141
  313   1HE2  GLN  38          1HE2      GLN  38   9.864 -13.955 -10.911
  314   2HE2  GLN  38          2HE2      GLN  38  10.913 -13.227  -9.739
  315    HA   PRO  39           HA       PRO  39   2.195 -10.160  -9.263
  316   1HB   PRO  39          1HB       PRO  39   3.497 -10.904  -6.694
  317   2HB   PRO  39          2HB       PRO  39   1.831 -11.155  -7.226
  318   1HG   PRO  39          1HG       PRO  39   3.553 -13.180  -7.166
  319   2HG   PRO  39          2HG       PRO  39   2.370 -13.026  -8.478
  320   1HD   PRO  39          1HD       PRO  39   5.299 -12.442  -8.486
  321   2HD   PRO  39          2HD       PRO  39   4.280 -13.129  -9.766
  322    H    PHE  40           H        PHE  40   5.517  -9.589  -8.250
  323    HA   PHE  40           HA       PHE  40   4.755  -6.841  -7.487
  324   1HB   PHE  40          1HB       PHE  40   7.188  -8.292  -6.457
  325   2HB   PHE  40          2HB       PHE  40   6.517  -6.776  -5.882
  326    HD1  PHE  40           HD1      PHE  40   6.088 -10.420  -5.939
  327    HD2  PHE  40           HD2      PHE  40   4.772  -6.733  -4.278
  328    HE1  PHE  40           HE1      PHE  40   4.896 -11.645  -4.176
  329    HE2  PHE  40           HE2      PHE  40   3.569  -7.954  -2.517
  330    HZ   PHE  40           HZ       PHE  40   3.637 -10.413  -2.466
  331    H    PHE  41           H        PHE  41   6.107  -8.488  -9.928
  332    HA   PHE  41           HA       PHE  41   7.665  -8.118 -11.560
  333   1HB   PHE  41          1HB       PHE  41   7.483  -5.232 -10.665
  334   2HB   PHE  41          2HB       PHE  41   8.013  -5.815 -12.240
  335    HD1  PHE  41           HD2      PHE  41   6.269  -7.235 -13.570
  336    HD2  PHE  41           HD1      PHE  41   5.280  -4.600 -10.372
  337    HE1  PHE  41           HE2      PHE  41   3.949  -7.120 -14.382
  338    HE2  PHE  41           HE1      PHE  41   2.958  -4.492 -11.178
  339    HZ   PHE  41           HZ       PHE  41   2.291  -5.750 -13.185
  340    H    MET  42           H        MET  42   8.721  -8.971  -9.140
  341    HA   MET  42           HA       MET  42  10.761  -7.261  -8.108
  342   1HB   MET  42          1HB       MET  42  10.393 -10.231  -7.696
  343   2HB   MET  42          2HB       MET  42  11.336  -9.142  -6.687
  344   1HG   MET  42          1HG       MET  42   9.346  -7.984  -6.003
  345   2HG   MET  42          2HG       MET  42   8.374  -8.947  -7.115
  346   1HE   MET  42          1HE       MET  42   8.219 -12.418  -5.460
  347   2HE   MET  42          2HE       MET  42   9.194 -11.880  -6.828
  348   3HE   MET  42          3HE       MET  42   7.525 -11.333  -6.663
  349    H    ASP  43           H        ASP  43  10.647  -9.391 -10.756
  350    HA   ASP  43           HA       ASP  43  13.405 -10.213 -10.603
  351   1HB   ASP  43          1HB       ASP  43  11.345 -11.464 -11.663
  352   2HB   ASP  43          2HB       ASP  43  11.759 -10.512 -13.086
  353    H    THR  44           H        THR  44  11.822  -7.447 -11.616
  354    HA   THR  44           HA       THR  44  13.790  -6.789 -13.669
  355    HB   THR  44           HB       THR  44  11.876  -4.699 -12.881
  356    HG1  THR  44           HG1      THR  44  10.181  -5.969 -12.899
  357   1HG2  THR  44          1HG2      THR  44  11.641  -4.474 -15.265
  358   2HG2  THR  44          2HG2      THR  44  12.408  -6.037 -15.532
  359   3HG2  THR  44          3HG2      THR  44  13.351  -4.687 -14.899
  360    H    MET  45           H        MET  45  12.721  -5.776 -10.470
  361    HA   MET  45           HA       MET  45  15.207  -4.524  -9.849
  362   1HB   MET  45          1HB       MET  45  13.706  -2.915 -11.361
  363   2HB   MET  45          2HB       MET  45  12.930  -2.590  -9.817
  364   1HG   MET  45          1HG       MET  45  14.921  -1.738  -8.882
  365   2HG   MET  45          2HG       MET  45  15.899  -2.363 -10.208
  366   1HE   MET  45          1HE       MET  45  12.447  -0.460 -10.317
  367   2HE   MET  45          2HE       MET  45  12.991   1.200 -10.553
  368   3HE   MET  45          3HE       MET  45  13.350   0.361  -9.044
  369    H    GLU  46           H        GLU  46  14.652  -3.094  -7.652
  370    HA   GLU  46           HA       GLU  46  13.721  -5.071  -5.850
  371   1HB   GLU  46          1HB       GLU  46  14.102  -3.482  -4.079
  372   2HB   GLU  46          2HB       GLU  46  15.434  -3.397  -5.218
  373   1HG   GLU  46          1HG       GLU  46  13.135  -1.470  -5.316
  374   2HG   GLU  46          2HG       GLU  46  14.527  -1.218  -4.266
  375    HA   PRO  47           HA       PRO  47   9.378  -4.252  -5.796
  376   1HB   PRO  47          1HB       PRO  47   9.397  -5.139  -2.991
  377   2HB   PRO  47          2HB       PRO  47   8.584  -5.852  -4.388
  378   1HG   PRO  47          1HG       PRO  47  10.713  -7.023  -3.242
  379   2HG   PRO  47          2HG       PRO  47  10.433  -7.098  -4.992
  380   1HD   PRO  47          1HD       PRO  47  12.310  -5.346  -3.446
  381   2HD   PRO  47          2HD       PRO  47  12.577  -6.205  -4.979
  382    H    LEU  48           H        LEU  48   9.867  -1.929  -5.840
  383    HA   LEU  48           HA       LEU  48   8.811  -0.707  -3.396
  384   1HB   LEU  48          1HB       LEU  48  11.203  -0.266  -3.357
  385   2HB   LEU  48          2HB       LEU  48  11.146   0.345  -4.999
  386    HG   LEU  48           HG       LEU  48   9.745   2.229  -4.249
  387   1HD1  LEU  48          1HD1      LEU  48   9.401   2.648  -1.888
  388   2HD1  LEU  48          2HD1      LEU  48  10.219   1.142  -1.477
  389   3HD1  LEU  48          3HD1      LEU  48   8.683   1.104  -2.343
  390   1HD2  LEU  48          1HD2      LEU  48  11.479   3.421  -3.002
  391   2HD2  LEU  48          2HD2      LEU  48  12.160   2.501  -4.342
  392   3HD2  LEU  48          3HD2      LEU  48  12.306   1.895  -2.693
  393    H    GLU  49           H        GLU  49   9.645  -0.148  -6.802
  394    HA   GLU  49           HA       GLU  49   7.862   1.956  -7.281
  395   1HB   GLU  49          1HB       GLU  49   8.664  -0.127  -9.314
  396   2HB   GLU  49          2HB       GLU  49   8.237   1.553  -9.610
  397   1HG   GLU  49          1HG       GLU  49  10.692   0.579  -8.164
  398   2HG   GLU  49          2HG       GLU  49  10.634   1.165  -9.823
  399    H    TRP  50           H        TRP  50   7.378  -1.442  -7.019
  400    HA   TRP  50           HA       TRP  50   5.008  -1.828  -8.433
  401   1HB   TRP  50          1HB       TRP  50   6.270  -3.709  -7.647
  402   2HB   TRP  50          2HB       TRP  50   6.115  -3.187  -5.973
  403    HD1  TRP  50           HD1      TRP  50   3.915  -4.557  -8.840
  404    HE1  TRP  50           HE1      TRP  50   1.954  -5.844  -7.787
  405    HE3  TRP  50           HE3      TRP  50   4.824  -3.538  -3.913
  406    HZ2  TRP  50           HZ2      TRP  50   0.924  -6.360  -5.207
  407    HZ3  TRP  50           HZ3      TRP  50   3.306  -4.467  -2.216
  408    HH2  TRP  50           HH2      TRP  50   1.395  -5.846  -2.851
  409    H    LEU  51           H        LEU  51   5.579  -0.520  -5.236
  410    HA   LEU  51           HA       LEU  51   2.988  -0.622  -4.194
  411   1HB   LEU  51          1HB       LEU  51   4.963  -0.035  -2.865
  412   2HB   LEU  51          2HB       LEU  51   5.157   1.445  -3.780
  413    HG   LEU  51           HG       LEU  51   3.054   2.309  -2.855
  414   1HD1  LEU  51          1HD1      LEU  51   1.895   0.177  -2.549
  415   2HD1  LEU  51          2HD1      LEU  51   1.916   1.119  -1.058
  416   3HD1  LEU  51          3HD1      LEU  51   3.015  -0.245  -1.254
  417   1HD2  LEU  51          1HD2      LEU  51   4.946   1.289  -0.739
  418   2HD2  LEU  51          2HD2      LEU  51   3.819   2.634  -0.566
  419   3HD2  LEU  51          3HD2      LEU  51   5.167   2.754  -1.697
  420    H    GLN  52           H        GLN  52   4.527   1.547  -6.447
  421    HA   GLN  52           HA       GLN  52   2.252   3.360  -6.508
  422   1HB   GLN  52          1HB       GLN  52   4.697   3.429  -8.266
  423   2HB   GLN  52          2HB       GLN  52   3.610   4.756  -7.873
  424   1HG   GLN  52          1HG       GLN  52   4.403   4.800  -5.611
  425   2HG   GLN  52          2HG       GLN  52   5.396   3.370  -5.894
  426   1HE2  GLN  52          1HE2      GLN  52   6.196   5.980  -4.991
  427   2HE2  GLN  52          2HE2      GLN  52   7.351   6.555  -6.138
  428    H    TRP  53           H        TRP  53   0.980   3.675  -8.338
  429    HA   TRP  53           HA       TRP  53   0.002   3.345 -10.350
  430   1HB   TRP  53          1HB       TRP  53   2.438   1.692 -11.029
  431   2HB   TRP  53          2HB       TRP  53   1.237   2.284 -12.174
  432    HD1  TRP  53           HD1      TRP  53   4.461   3.219 -10.595
  433    HE1  TRP  53           HE1      TRP  53   5.080   5.651 -11.165
  434    HE3  TRP  53           HE3      TRP  53  -0.008   4.740 -12.551
  435    HZ2  TRP  53           HZ2      TRP  53   3.830   7.909 -12.308
  436    HZ3  TRP  53           HZ3      TRP  53  -0.212   7.052 -13.362
  437    HH2  TRP  53           HH2      TRP  53   1.670   8.603 -13.242
  438    H    VAL  54           H        VAL  54   1.342   0.405  -8.893
  439    HA   VAL  54           HA       VAL  54  -0.851  -1.126 -10.068
  440    HB   VAL  54           HB       VAL  54   1.482  -2.167  -8.453
  441   1HG1  VAL  54          1HG1      VAL  54   0.843  -4.339  -9.381
  442   2HG1  VAL  54          2HG1      VAL  54  -0.515  -3.587 -10.220
  443   3HG1  VAL  54          3HG1      VAL  54  -0.485  -3.632  -8.458
  444   1HG2  VAL  54          1HG2      VAL  54   2.430  -2.853 -10.610
  445   2HG2  VAL  54          2HG2      VAL  54   2.255  -1.101 -10.509
  446   3HG2  VAL  54          3HG2      VAL  54   1.101  -2.048 -11.446
  447    H    LEU  55           H        LEU  55   0.700  -1.129  -6.825
  448    HA   LEU  55           HA       LEU  55  -1.314  -2.656  -5.680
  449   1HB   LEU  55          1HB       LEU  55   0.926  -2.365  -4.712
  450   2HB   LEU  55          2HB       LEU  55   0.499  -0.730  -4.237
  451    HG   LEU  55           HG       LEU  55  -1.239  -1.604  -2.738
  452   1HD1  LEU  55          1HD1      LEU  55  -1.829  -3.618  -3.971
  453   2HD1  LEU  55          2HD1      LEU  55  -1.400  -4.009  -2.306
  454   3HD1  LEU  55          3HD1      LEU  55  -0.252  -4.318  -3.608
  455   1HD2  LEU  55          1HD2      LEU  55   1.442  -2.917  -2.321
  456   2HD2  LEU  55          2HD2      LEU  55   0.220  -2.636  -1.079
  457   3HD2  LEU  55          3HD2      LEU  55   1.015  -1.268  -1.862
  458    H    ILE  56           H        ILE  56  -0.917   0.902  -5.276
  459    HA   ILE  56           HA       ILE  56  -3.154   1.242  -3.663
  460    HB   ILE  56           HB       ILE  56  -1.718   3.155  -5.466
  461   1HG1  ILE  56          1HG1      ILE  56  -1.540   4.350  -3.196
  462   2HG1  ILE  56          2HG1      ILE  56  -2.145   2.851  -2.504
  463   1HG2  ILE  56          1HG2      ILE  56  -4.063   3.798  -5.677
  464   2HG2  ILE  56          2HG2      ILE  56  -3.162   4.985  -4.733
  465   3HG2  ILE  56          3HG2      ILE  56  -4.217   3.830  -3.920
  466   1HD1  ILE  56          1HD1      ILE  56  -0.228   1.662  -3.449
  467   2HD1  ILE  56          2HD1      ILE  56   0.257   2.957  -2.356
  468   3HD1  ILE  56          3HD1      ILE  56   0.381   3.184  -4.100
  469    HA   PRO  57           HA       PRO  57  -5.945   2.179  -7.533
  470   1HB   PRO  57          1HB       PRO  57  -4.411   0.872  -9.706
  471   2HB   PRO  57          2HB       PRO  57  -5.323   2.386  -9.723
  472   1HG   PRO  57          1HG       PRO  57  -2.667   2.417  -9.714
  473   2HG   PRO  57          2HG       PRO  57  -3.587   3.594  -8.755
  474   1HD   PRO  57          1HD       PRO  57  -2.203   1.088  -7.859
  475   2HD   PRO  57          2HD       PRO  57  -2.232   2.691  -7.096
  476    H    ARG  58           H        ARG  58  -3.983  -0.781  -7.614
  477    HA   ARG  58           HA       ARG  58  -6.046  -2.453  -8.605
  478   1HB   ARG  58          1HB       ARG  58  -3.551  -2.905  -8.633
  479   2HB   ARG  58          2HB       ARG  58  -3.704  -3.353  -6.941
  480   1HG   ARG  58          1HG       ARG  58  -5.065  -5.207  -7.450
  481   2HG   ARG  58          2HG       ARG  58  -5.328  -4.652  -9.106
  482   1HD   ARG  58          1HD       ARG  58  -2.880  -4.931  -9.505
  483   2HD   ARG  58          2HD       ARG  58  -2.755  -5.656  -7.902
  484    HE   ARG  58           HE       ARG  58  -4.199  -7.446  -8.699
  485   1HH1  ARG  58          1HH1      ARG  58  -2.853  -5.333 -11.138
  486   2HH1  ARG  58          2HH1      ARG  58  -2.883  -6.536 -12.395
  487   1HH2  ARG  58          1HH2      ARG  58  -4.272  -9.039 -10.335
  488   2HH2  ARG  58          2HH2      ARG  58  -3.719  -8.647 -11.938
  489    H    MET  59           H        MET  59  -5.056  -1.501  -5.370
  490    HA   MET  59           HA       MET  59  -6.906  -3.294  -4.094
  491   1HB   MET  59          1HB       MET  59  -5.239  -1.004  -3.087
  492   2HB   MET  59          2HB       MET  59  -6.413  -1.817  -2.059
  493   1HG   MET  59          1HG       MET  59  -4.020  -3.048  -3.402
  494   2HG   MET  59          2HG       MET  59  -4.238  -2.753  -1.677
  495   1HE   MET  59          1HE       MET  59  -4.365  -6.684  -1.996
  496   2HE   MET  59          2HE       MET  59  -3.541  -5.315  -1.250
  497   3HE   MET  59          3HE       MET  59  -3.397  -5.593  -2.985
  498    H    HIS  60           H        HIS  60  -7.013  -0.054  -5.367
  499    HA   HIS  60           HA       HIS  60  -9.412   0.796  -4.175
  500   1HB   HIS  60          1HB       HIS  60  -8.042   1.470  -6.750
  501   2HB   HIS  60          2HB       HIS  60  -9.705   1.990  -6.514
  502    HD1  HIS  60           HD1      HIS  60 -10.101   3.536  -4.325
  503    HD2  HIS  60           HD2      HIS  60  -6.178   3.110  -5.627
  504    HE1  HIS  60           HE1      HIS  60  -8.835   5.447  -3.302
  505    HE2  HIS  60           HE2      HIS  60  -6.541   5.326  -4.332
  506    H    ASP  61           H        ASP  61  -8.794  -1.210  -7.036
  507    HA   ASP  61           HA       ASP  61 -11.418  -1.609  -7.885
  508   1HB   ASP  61          1HB       ASP  61  -9.045  -3.481  -7.912
  509   2HB   ASP  61          2HB       ASP  61 -10.585  -3.889  -8.657
  510    H    LEU  62           H        LEU  62  -9.548  -3.347  -5.451
  511    HA   LEU  62           HA       LEU  62 -11.473  -5.265  -4.759
  512   1HB   LEU  62          1HB       LEU  62  -9.101  -5.419  -4.191
  513   2HB   LEU  62          2HB       LEU  62  -9.255  -4.040  -3.122
  514    HG   LEU  62           HG       LEU  62 -10.793  -5.377  -1.697
  515   1HD1  LEU  62          1HD1      LEU  62  -9.945  -7.635  -3.508
  516   2HD1  LEU  62          2HD1      LEU  62 -11.568  -6.956  -3.390
  517   3HD1  LEU  62          3HD1      LEU  62 -10.863  -7.799  -2.010
  518   1HD2  LEU  62          1HD2      LEU  62  -8.067  -6.570  -2.173
  519   2HD2  LEU  62          2HD2      LEU  62  -9.036  -6.747  -0.711
  520   3HD2  LEU  62          3HD2      LEU  62  -8.419  -5.162  -1.173
  521    H    LEU  63           H        LEU  63 -11.007  -1.953  -3.747
  522    HA   LEU  63           HA       LEU  63 -12.858  -2.161  -1.533
  523   1HB   LEU  63          1HB       LEU  63 -11.538   0.279  -2.717
  524   2HB   LEU  63          2HB       LEU  63 -12.358   0.187  -1.170
  525    HG   LEU  63           HG       LEU  63  -9.855  -1.349  -1.863
  526   1HD1  LEU  63          1HD1      LEU  63  -9.426   1.047  -1.827
  527   2HD1  LEU  63          2HD1      LEU  63  -8.693   0.248  -0.435
  528   3HD1  LEU  63          3HD1      LEU  63 -10.187   1.168  -0.240
  529   1HD2  LEU  63          1HD2      LEU  63  -9.748  -1.768   0.546
  530   2HD2  LEU  63          2HD2      LEU  63 -11.230  -2.419  -0.156
  531   3HD2  LEU  63          3HD2      LEU  63 -11.277  -0.915   0.762
  532    H    ASP  64           H        ASP  64 -12.763  -0.544  -4.699
  533    HA   ASP  64           HA       ASP  64 -15.298   0.712  -4.383
  534   1HB   ASP  64          1HB       ASP  64 -13.555   0.249  -6.799
  535   2HB   ASP  64          2HB       ASP  64 -15.094   1.096  -6.887
  536    H    ASN  65           H        ASN  65 -14.283  -2.385  -5.662
  537    HA   ASN  65           HA       ASN  65 -16.894  -2.941  -6.774
  538   1HB   ASN  65          1HB       ASN  65 -14.529  -4.770  -6.303
  539   2HB   ASN  65          2HB       ASN  65 -16.021  -5.254  -7.100
  540   1HD2  ASN  65          1HD2      ASN  65 -13.418  -5.355  -8.214
  541   2HD2  ASN  65          2HD2      ASN  65 -13.386  -4.299  -9.586
  542    H    LYS  66           H        LYS  66 -15.718  -2.716  -3.740
  543    HA   LYS  66           HA       LYS  66 -16.430  -3.321  -1.679
  544   1HB   LYS  66          1HB       LYS  66 -18.991  -4.076  -3.101
  545   2HB   LYS  66          2HB       LYS  66 -18.810  -3.703  -1.390
  546   1HG   LYS  66          1HG       LYS  66 -18.334  -1.420  -1.851
  547   2HG   LYS  66          2HG       LYS  66 -18.191  -1.739  -3.581
  548   1HD   LYS  66          1HD       LYS  66 -20.607  -2.436  -3.548
  549   2HD   LYS  66          2HD       LYS  66 -20.685  -1.829  -1.891
  550   1HE   LYS  66          1HE       LYS  66 -20.061   0.388  -2.647
  551   2HE   LYS  66          2HE       LYS  66 -19.872  -0.204  -4.297
  552   1HZ   LYS  66          1HZ       LYS  66 -21.971   0.858  -4.134
  553   2HZ   LYS  66          2HZ       LYS  66 -22.390  -0.012  -2.740
  554   3HZ   LYS  66          3HZ       LYS  66 -22.266  -0.811  -4.231
  555    H    GLN  67           H        GLN  67 -14.778  -5.076  -2.159
  556    HA   GLN  67           HA       GLN  67 -16.044  -7.734  -2.054
  557   1HB   GLN  67          1HB       GLN  67 -13.220  -7.014  -2.868
  558   2HB   GLN  67          2HB       GLN  67 -13.917  -8.627  -2.881
  559   1HG   GLN  67          1HG       GLN  67 -15.527  -7.892  -4.583
  560   2HG   GLN  67          2HG       GLN  67 -14.761  -6.303  -4.591
  561   1HE2  GLN  67          1HE2      GLN  67 -12.720  -6.072  -5.483
  562   2HE2  GLN  67          2HE2      GLN  67 -12.024  -7.265  -6.523
  563    HA   PRO  68           HA       PRO  68 -14.273  -8.346   1.997
  564   1HB   PRO  68          1HB       PRO  68 -13.508 -10.960   1.869
  565   2HB   PRO  68          2HB       PRO  68 -15.191 -10.458   2.059
  566   1HG   PRO  68          1HG       PRO  68 -13.741 -11.334  -0.405
  567   2HG   PRO  68          2HG       PRO  68 -15.386 -11.723   0.128
  568   1HD   PRO  68          1HD       PRO  68 -14.857  -9.852  -1.766
  569   2HD   PRO  68          2HD       PRO  68 -16.245  -9.741  -0.664
  570    H    LEU  69           H        LEU  69 -12.270  -8.139   2.947
  571    HA   LEU  69           HA       LEU  69 -10.062  -7.790   1.107
  572   1HB   LEU  69          1HB       LEU  69 -10.173  -7.390   4.098
  573   2HB   LEU  69          2HB       LEU  69  -8.863  -6.889   3.044
  574    HG   LEU  69           HG       LEU  69 -11.674  -5.787   3.061
  575   1HD1  LEU  69          1HD1      LEU  69 -10.617  -3.741   3.811
  576   2HD1  LEU  69          2HD1      LEU  69  -9.036  -4.522   3.775
  577   3HD1  LEU  69          3HD1      LEU  69 -10.260  -5.062   4.925
  578   1HD2  LEU  69          1HD2      LEU  69 -10.791  -5.863   0.789
  579   2HD2  LEU  69          2HD2      LEU  69  -9.323  -5.044   1.324
  580   3HD2  LEU  69          3HD2      LEU  69 -10.874  -4.205   1.384
  581    HA   PRO  70           HA       PRO  70  -8.147 -11.730   1.922
  582   1HB   PRO  70          1HB       PRO  70  -5.552 -10.975   1.412
  583   2HB   PRO  70          2HB       PRO  70  -6.720 -11.416   0.164
  584   1HG   PRO  70          1HG       PRO  70  -5.854  -8.712   1.084
  585   2HG   PRO  70          2HG       PRO  70  -6.219  -9.277  -0.556
  586   1HD   PRO  70          1HD       PRO  70  -7.952  -7.785   0.885
  587   2HD   PRO  70          2HD       PRO  70  -8.491  -9.016  -0.277
  588    H    GLY  71           H        GLY  71  -8.337 -12.064   4.086
  589   1HA   GLY  71          1HA       GLY  71  -7.317 -10.384   6.094
  590   2HA   GLY  71          2HA       GLY  71  -7.869 -12.034   6.325
  591    H    ALA  72           H        ALA  72  -5.670 -12.633   4.157
  592    HA   ALA  72           HA       ALA  72  -3.485 -12.742   6.119
  593   1HB   ALA  72          1HB       ALA  72  -4.390 -14.948   5.562
  594   2HB   ALA  72          2HB       ALA  72  -2.724 -14.779   5.013
  595   3HB   ALA  72          3HB       ALA  72  -4.049 -14.656   3.857
  596    H    PHE  73           H        PHE  73  -4.160 -10.647   4.078
  597    HA   PHE  73           HA       PHE  73  -1.967 -10.791   2.201
  598   1HB   PHE  73          1HB       PHE  73  -4.083  -9.623   1.628
  599   2HB   PHE  73          2HB       PHE  73  -3.757  -8.448   2.896
  600    HD1  PHE  73           HD1      PHE  73  -2.545  -9.761  -0.334
  601    HD2  PHE  73           HD2      PHE  73  -2.328  -6.611   2.519
  602    HE1  PHE  73           HE1      PHE  73  -1.274  -8.400  -1.941
  603    HE2  PHE  73           HE2      PHE  73  -1.058  -5.242   0.917
  604    HZ   PHE  73           HZ       PHE  73  -0.528  -6.136  -1.317
  605    H    ALA  74           H        ALA  74   0.050 -10.332   2.712
  606    HA   ALA  74           HA       ALA  74   0.642  -8.207   4.616
  607   1HB   ALA  74          1HB       ALA  74   2.133  -9.607   5.953
  608   2HB   ALA  74          2HB       ALA  74   1.656 -11.021   5.013
  609   3HB   ALA  74          3HB       ALA  74   0.471 -10.196   6.027
  610    H    VAL  75           H        VAL  75   1.960  -6.961   3.468
  611    HA   VAL  75           HA       VAL  75   4.053  -8.289   1.869
  612    HB   VAL  75           HB       VAL  75   4.102  -6.327   0.399
  613   1HG1  VAL  75          1HG1      VAL  75   1.399  -7.621   0.685
  614   2HG1  VAL  75          2HG1      VAL  75   2.759  -8.200  -0.278
  615   3HG1  VAL  75          3HG1      VAL  75   1.935  -6.705  -0.722
  616   1HG2  VAL  75          1HG2      VAL  75   3.323  -4.614   1.930
  617   2HG2  VAL  75          2HG2      VAL  75   1.738  -5.382   2.020
  618   3HG2  VAL  75          3HG2      VAL  75   2.283  -4.661   0.505
  619    H    ALA  76           H        ALA  76   3.414  -6.242   4.486
  620    HA   ALA  76           HA       ALA  76   5.634  -4.521   4.375
  621   1HB   ALA  76          1HB       ALA  76   5.245  -4.129   6.754
  622   2HB   ALA  76          2HB       ALA  76   4.137  -5.501   6.797
  623   3HB   ALA  76          3HB       ALA  76   3.745  -4.079   5.828
  624    HA   PRO  77           HA       PRO  77   7.870  -7.954   7.192
  625   1HB   PRO  77          1HB       PRO  77   6.572 -10.268   5.823
  626   2HB   PRO  77          2HB       PRO  77   7.148 -10.123   7.488
  627   1HG   PRO  77          1HG       PRO  77   4.551  -9.999   6.957
  628   2HG   PRO  77          2HG       PRO  77   5.275  -8.929   8.173
  629   1HD   PRO  77          1HD       PRO  77   4.398  -8.316   5.386
  630   2HD   PRO  77          2HD       PRO  77   4.307  -7.312   6.847
  631    H    TYR  78           H        TYR  78   6.823  -8.502   3.851
  632    HA   TYR  78           HA       TYR  78   9.364  -9.563   3.047
  633   1HB   TYR  78          1HB       TYR  78   7.319 -10.231   1.864
  634   2HB   TYR  78          2HB       TYR  78   7.058  -8.564   1.357
  635    HD1  TYR  78           HD2      TYR  78   9.482 -11.371   1.090
  636    HD2  TYR  78           HD1      TYR  78   7.999  -7.779  -0.642
  637    HE1  TYR  78           HE2      TYR  78  10.893 -11.748  -0.887
  638    HE2  TYR  78           HE1      TYR  78   9.404  -8.145  -2.620
  639    HH   TYR  78           HH       TYR  78  11.632  -9.408  -3.072
  640    H    TYR  79           H        TYR  79   7.724  -6.447   2.823
  641    HA   TYR  79           HA       TYR  79   9.610  -5.152   1.194
  642   1HB   TYR  79          1HB       TYR  79   7.320  -4.378   2.833
  643   2HB   TYR  79          2HB       TYR  79   8.568  -3.139   2.750
  644    HD1  TYR  79           HD2      TYR  79   6.517  -5.373   0.579
  645    HD2  TYR  79           HD1      TYR  79   8.685  -1.729   0.918
  646    HE1  TYR  79           HE2      TYR  79   5.716  -4.694  -1.648
  647    HE2  TYR  79           HE1      TYR  79   7.888  -1.039  -1.300
  648    HH   TYR  79           HH       TYR  79   7.044  -2.047  -3.333
  649    H    GLU  80           H        GLU  80   9.595  -5.807   4.618
  650    HA   GLU  80           HA       GLU  80  11.548  -4.028   5.495
  651   1HB   GLU  80          1HB       GLU  80  10.278  -5.438   7.023
  652   2HB   GLU  80          2HB       GLU  80  11.021  -6.882   6.350
  653   1HG   GLU  80          1HG       GLU  80  12.999  -4.999   7.308
  654   2HG   GLU  80          2HG       GLU  80  11.859  -5.466   8.570
  655    H    MET  81           H        MET  81  11.841  -7.072   3.765
  656    HA   MET  81           HA       MET  81  14.743  -6.994   3.829
  657   1HB   MET  81          1HB       MET  81  12.882  -8.853   2.340
  658   2HB   MET  81          2HB       MET  81  14.617  -9.060   2.522
  659   1HG   MET  81          1HG       MET  81  14.368  -9.366   4.903
  660   2HG   MET  81          2HG       MET  81  12.638  -9.051   4.784
  661   1HE   MET  81          1HE       MET  81  12.060 -10.565   1.977
  662   2HE   MET  81          2HE       MET  81  10.973 -10.617   3.366
  663   3HE   MET  81          3HE       MET  81  11.478 -12.117   2.587
  664    H    ALA  82           H        ALA  82  12.099  -6.404   1.610
  665    HA   ALA  82           HA       ALA  82  13.546  -6.214  -0.778
  666   1HB   ALA  82          1HB       ALA  82  11.109  -6.408  -0.681
  667   2HB   ALA  82          2HB       ALA  82  11.614  -5.031  -1.660
  668   3HB   ALA  82          3HB       ALA  82  11.007  -4.773  -0.026
  669    H    LEU  83           H        LEU  83  12.864  -3.815   1.713
  670    HA   LEU  83           HA       LEU  83  14.145  -1.703   0.186
  671   1HB   LEU  83          1HB       LEU  83  13.034  -1.717   2.993
  672   2HB   LEU  83          2HB       LEU  83  13.621  -0.298   2.147
  673    HG   LEU  83           HG       LEU  83  11.238  -1.968   1.340
  674   1HD1  LEU  83          1HD1      LEU  83  10.825  -0.641   3.337
  675   2HD1  LEU  83          2HD1      LEU  83   9.939   0.006   1.957
  676   3HD1  LEU  83          3HD1      LEU  83  11.412   0.803   2.512
  677   1HD2  LEU  83          1HD2      LEU  83  12.304   0.592   0.154
  678   2HD2  LEU  83          2HD2      LEU  83  10.841  -0.263  -0.340
  679   3HD2  LEU  83          3HD2      LEU  83  12.422  -1.007  -0.583
  680    H    ALA  84           H        ALA  84  15.089  -4.161   2.250
  681    HA   ALA  84           HA       ALA  84  17.023  -4.742   3.271
  682   1HB   ALA  84          1HB       ALA  84  18.225  -2.529   1.612
  683   2HB   ALA  84          2HB       ALA  84  17.995  -4.198   1.089
  684   3HB   ALA  84          3HB       ALA  84  19.107  -3.834   2.409
  685    H    THR  85           H        THR  85  19.171  -3.394   4.252
  686    HA   THR  85           HA       THR  85  17.955  -1.712   6.313
  687    HB   THR  85           HB       THR  85  20.343  -2.103   7.322
  688    HG1  THR  85           HG1      THR  85  21.506  -3.212   5.915
  689   1HG2  THR  85          1HG2      THR  85  18.278  -3.003   8.281
  690   2HG2  THR  85          2HG2      THR  85  19.577  -4.195   8.349
  691   3HG2  THR  85          3HG2      THR  85  18.316  -4.335   7.125
  692    H    ASP  86           H        ASP  86  19.949  -1.567   3.559
  693    HA   ASP  86           HA       ASP  86  21.647   0.575   4.355
  694   1HB   ASP  86          1HB       ASP  86  21.052  -0.715   1.697
  695   2HB   ASP  86          2HB       ASP  86  22.184   0.616   1.878
  696    H    HIS  87           H        HIS  87  18.447   0.428   3.137
  697    HA   HIS  87           HA       HIS  87  18.574   3.204   2.193
  698   1HB   HIS  87          1HB       HIS  87  17.445   1.138   0.949
  699   2HB   HIS  87          2HB       HIS  87  16.086   1.563   1.982
  700    HD1  HIS  87           HD1      HIS  87  18.299   3.075  -0.694
  701    HD2  HIS  87           HD2      HIS  87  14.579   3.671   1.078
  702    HE1  HIS  87           HE1      HIS  87  17.194   4.893  -2.028
  703    HE2  HIS  87           HE2      HIS  87  14.855   5.024  -1.117
  704    HA   PRO  88           HA       PRO  88  17.260   3.864   6.448
  705   1HB   PRO  88          1HB       PRO  88  17.466   6.583   6.411
  706   2HB   PRO  88          2HB       PRO  88  18.845   5.499   6.613
  707   1HG   PRO  88          1HG       PRO  88  17.878   6.890   4.145
  708   2HG   PRO  88          2HG       PRO  88  19.538   6.684   4.737
  709   1HD   PRO  88          1HD       PRO  88  18.521   5.146   2.769
  710   2HD   PRO  88          2HD       PRO  88  19.680   4.512   3.956
  711    H    GLN  89           H        GLN  89  15.837   5.431   3.655
  712    HA   GLN  89           HA       GLN  89  13.684   6.636   5.107
  713   1HB   GLN  89          1HB       GLN  89  13.878   6.159   2.131
  714   2HB   GLN  89          2HB       GLN  89  12.841   7.320   2.952
  715   1HG   GLN  89          1HG       GLN  89  14.918   8.438   3.791
  716   2HG   GLN  89          2HG       GLN  89  15.836   7.376   2.727
  717   1HE2  GLN  89          1HE2      GLN  89  15.675  10.243   2.708
  718   2HE2  GLN  89          2HE2      GLN  89  15.059  10.696   1.151
  719    H    ARG  90           H        ARG  90  14.250   3.553   4.789
  720    HA   ARG  90           HA       ARG  90  11.905   2.413   3.706
  721   1HB   ARG  90          1HB       ARG  90  12.585   0.382   4.912
  722   2HB   ARG  90          2HB       ARG  90  13.941   1.107   4.058
  723   1HG   ARG  90          1HG       ARG  90  14.741   2.093   6.142
  724   2HG   ARG  90          2HG       ARG  90  13.374   1.391   7.005
  725   1HD   ARG  90          1HD       ARG  90  14.162  -0.848   6.448
  726   2HD   ARG  90          2HD       ARG  90  15.513  -0.158   5.548
  727    HE   ARG  90           HE       ARG  90  15.905   0.935   7.940
  728   1HH1  ARG  90          1HH1      ARG  90  15.152  -2.371   7.063
  729   2HH1  ARG  90          2HH1      ARG  90  15.945  -3.055   8.447
  730   1HH2  ARG  90          1HH2      ARG  90  16.977   0.036   9.749
  731   2HH2  ARG  90          2HH2      ARG  90  16.978  -1.694   9.970
  732    H    ALA  91           H        ALA  91  12.714   3.722   6.838
  733    HA   ALA  91           HA       ALA  91  10.843   2.475   8.457
  734   1HB   ALA  91          1HB       ALA  91  11.880   5.294   8.695
  735   2HB   ALA  91          2HB       ALA  91  12.673   3.845   9.312
  736   3HB   ALA  91          3HB       ALA  91  11.121   4.355   9.980
  737    H    LEU  92           H        LEU  92  10.510   5.501   6.637
  738    HA   LEU  92           HA       LEU  92   7.918   6.153   7.497
  739   1HB   LEU  92          1HB       LEU  92   9.218   6.784   4.846
  740   2HB   LEU  92          2HB       LEU  92   7.829   7.606   5.529
  741    HG   LEU  92           HG       LEU  92  10.593   7.608   6.741
  742   1HD1  LEU  92          1HD1      LEU  92   9.150   9.727   5.158
  743   2HD1  LEU  92          2HD1      LEU  92  10.563   8.812   4.634
  744   3HD1  LEU  92          3HD1      LEU  92  10.691   9.935   5.987
  745   1HD2  LEU  92          1HD2      LEU  92   9.709   9.384   8.170
  746   2HD2  LEU  92          2HD2      LEU  92   8.822   7.877   8.394
  747   3HD2  LEU  92          3HD2      LEU  92   8.115   9.182   7.440
  748    H    ILE  93           H        ILE  93   9.044   4.388   4.644
  749    HA   ILE  93           HA       ILE  93   6.486   3.996   3.512
  750    HB   ILE  93           HB       ILE  93   8.970   2.335   3.060
  751   1HG1  ILE  93          1HG1      ILE  93   8.033   4.859   1.671
  752   2HG1  ILE  93          2HG1      ILE  93   9.424   4.726   2.741
  753   1HG2  ILE  93          1HG2      ILE  93   6.533   2.797   1.341
  754   2HG2  ILE  93          2HG2      ILE  93   6.952   1.304   2.181
  755   3HG2  ILE  93          3HG2      ILE  93   7.968   1.888   0.862
  756   1HD1  ILE  93          1HD1      ILE  93   9.116   3.342   0.089
  757   2HD1  ILE  93          2HD1      ILE  93  10.517   3.245   1.156
  758   3HD1  ILE  93          3HD1      ILE  93  10.085   4.781   0.403
  759    H    LEU  94           H        LEU  94   8.573   1.905   5.491
  760    HA   LEU  94           HA       LEU  94   6.888  -0.350   5.439
  761   1HB   LEU  94          1HB       LEU  94   8.986   0.514   7.420
  762   2HB   LEU  94          2HB       LEU  94   8.148  -1.023   7.520
  763    HG   LEU  94           HG       LEU  94   9.892  -0.128   5.223
  764   1HD1  LEU  94          1HD1      LEU  94  11.428  -1.853   6.012
  765   2HD1  LEU  94          2HD1      LEU  94  10.368  -2.177   7.382
  766   3HD1  LEU  94          3HD1      LEU  94  11.172  -0.615   7.240
  767   1HD2  LEU  94          1HD2      LEU  94   8.070  -1.582   4.501
  768   2HD2  LEU  94          2HD2      LEU  94   8.508  -2.758   5.740
  769   3HD2  LEU  94          3HD2      LEU  94   9.620  -2.417   4.415
  770    H    ALA  95           H        ALA  95   7.124   2.353   7.725
  771    HA   ALA  95           HA       ALA  95   5.387   1.385   9.681
  772   1HB   ALA  95          1HB       ALA  95   6.804   3.379   9.960
  773   2HB   ALA  95          2HB       ALA  95   5.122   3.687  10.394
  774   3HB   ALA  95          3HB       ALA  95   5.754   4.263   8.850
  775    H    GLU  96           H        GLU  96   4.675   3.354   6.803
  776    HA   GLU  96           HA       GLU  96   1.879   3.478   7.327
  777   1HB   GLU  96          1HB       GLU  96   3.268   5.069   5.889
  778   2HB   GLU  96          2HB       GLU  96   3.171   3.847   4.629
  779   1HG   GLU  96          1HG       GLU  96   1.492   5.573   4.316
  780   2HG   GLU  96          2HG       GLU  96   0.743   4.010   4.640
  781    H    LEU  97           H        LEU  97   3.941   1.354   5.395
  782    HA   LEU  97           HA       LEU  97   1.898  -0.126   4.160
  783   1HB   LEU  97          1HB       LEU  97   4.703  -0.864   4.944
  784   2HB   LEU  97          2HB       LEU  97   3.630  -2.006   4.159
  785    HG   LEU  97           HG       LEU  97   4.627   0.602   3.021
  786   1HD1  LEU  97          1HD1      LEU  97   6.264  -1.199   3.010
  787   2HD1  LEU  97          2HD1      LEU  97   5.708  -0.840   1.375
  788   3HD1  LEU  97          3HD1      LEU  97   5.099  -2.263   2.220
  789   1HD2  LEU  97          1HD2      LEU  97   2.759  -1.421   1.786
  790   2HD2  LEU  97          2HD2      LEU  97   3.399   0.026   1.004
  791   3HD2  LEU  97          3HD2      LEU  97   2.292   0.176   2.371
  792    H    GLU  98           H        GLU  98   3.539  -0.578   7.277
  793    HA   GLU  98           HA       GLU  98   2.225  -2.945   8.025
  794   1HB   GLU  98          1HB       GLU  98   3.338  -0.708   9.717
  795   2HB   GLU  98          2HB       GLU  98   2.760  -2.232  10.372
  796   1HG   GLU  98          1HG       GLU  98   4.464  -3.425   9.086
  797   2HG   GLU  98          2HG       GLU  98   5.047  -1.887   8.446
  798    H    LYS  99           H        LYS  99   1.256   0.408   8.191
  799    HA   LYS  99           HA       LYS  99  -0.964   0.080   9.913
  800   1HB   LYS  99          1HB       LYS  99   0.142   2.256   9.283
  801   2HB   LYS  99          2HB       LYS  99  -0.644   2.130   7.717
  802   1HG   LYS  99          1HG       LYS  99  -2.836   2.131   8.868
  803   2HG   LYS  99          2HG       LYS  99  -1.992   2.389  10.397
  804   1HD   LYS  99          1HD       LYS  99  -1.877   4.214   7.994
  805   2HD   LYS  99          2HD       LYS  99  -2.841   4.491   9.445
  806   1HE   LYS  99          1HE       LYS  99  -0.915   4.783  10.783
  807   2HE   LYS  99          2HE       LYS  99   0.143   4.138   9.530
  808   1HZ   LYS  99          1HZ       LYS  99  -0.225   6.060   8.193
  809   2HZ   LYS  99          2HZ       LYS  99   0.210   6.596   9.744
  810   3HZ   LYS  99          3HZ       LYS  99  -1.410   6.655   9.252
  811    H    LEU 100           H        LEU 100  -0.701   0.208   6.367
  812    HA   LEU 100           HA       LEU 100  -3.401  -0.427   5.814
  813   1HB   LEU 100          1HB       LEU 100  -1.784   0.559   4.200
  814   2HB   LEU 100          2HB       LEU 100  -0.952  -0.981   4.136
  815    HG   LEU 100           HG       LEU 100  -3.095  -1.997   3.285
  816   1HD1  LEU 100          1HD1      LEU 100  -4.748  -0.476   2.328
  817   2HD1  LEU 100          2HD1      LEU 100  -3.872   0.901   2.997
  818   3HD1  LEU 100          3HD1      LEU 100  -4.621  -0.275   4.075
  819   1HD2  LEU 100          1HD2      LEU 100  -2.772  -1.192   1.012
  820   2HD2  LEU 100          2HD2      LEU 100  -1.221  -1.444   1.813
  821   3HD2  LEU 100          3HD2      LEU 100  -1.858   0.189   1.617
  822    H    ASP 101           H        ASP 101  -0.505  -2.354   6.204
  823    HA   ASP 101           HA       ASP 101  -1.427  -4.895   5.533
  824   1HB   ASP 101          1HB       ASP 101   0.942  -4.149   6.007
  825   2HB   ASP 101          2HB       ASP 101   0.553  -4.206   7.720
  826    H    ALA 102           H        ALA 102  -1.762  -3.026   8.482
  827    HA   ALA 102           HA       ALA 102  -2.815  -5.174  10.060
  828   1HB   ALA 102          1HB       ALA 102  -2.895  -2.198  10.547
  829   2HB   ALA 102          2HB       ALA 102  -1.631  -3.301  11.091
  830   3HB   ALA 102          3HB       ALA 102  -3.269  -3.452  11.729
  831    H    LEU 103           H        LEU 103  -4.105  -2.924   7.804
  832    HA   LEU 103           HA       LEU 103  -6.808  -2.998   8.735
  833   1HB   LEU 103          1HB       LEU 103  -5.680  -2.241   6.038
  834   2HB   LEU 103          2HB       LEU 103  -7.345  -2.001   6.528
  835    HG   LEU 103           HG       LEU 103  -4.950  -0.697   7.825
  836   1HD1  LEU 103          1HD1      LEU 103  -5.759   1.352   6.783
  837   2HD1  LEU 103          2HD1      LEU 103  -7.036   0.444   5.976
  838   3HD1  LEU 103          3HD1      LEU 103  -5.348   0.140   5.570
  839   1HD2  LEU 103          1HD2      LEU 103  -6.602   0.656   9.002
  840   2HD2  LEU 103          2HD2      LEU 103  -6.798  -1.055   9.378
  841   3HD2  LEU 103          3HD2      LEU 103  -7.904  -0.267   8.253
  842    H    PHE 104           H        PHE 104  -4.916  -4.766   6.337
  843    HA   PHE 104           HA       PHE 104  -7.094  -6.370   5.440
  844   1HB   PHE 104          1HB       PHE 104  -4.103  -6.785   5.284
  845   2HB   PHE 104          2HB       PHE 104  -5.274  -7.885   4.560
  846    HD1  PHE 104           HD1      PHE 104  -6.832  -7.010   2.800
  847    HD2  PHE 104           HD2      PHE 104  -3.478  -4.800   4.198
  848    HE1  PHE 104           HE1      PHE 104  -6.940  -5.589   0.794
  849    HE2  PHE 104           HE2      PHE 104  -3.575  -3.375   2.194
  850    HZ   PHE 104           HZ       PHE 104  -5.311  -3.766   0.488
  851    H    ALA 105           H        ALA 105  -4.877  -6.526   8.103
  852    HA   ALA 105           HA       ALA 105  -5.666  -9.179   8.905
  853   1HB   ALA 105          1HB       ALA 105  -3.439  -8.326   9.449
  854   2HB   ALA 105          2HB       ALA 105  -4.338  -8.745  10.907
  855   3HB   ALA 105          3HB       ALA 105  -4.163  -7.056  10.433
  856    H    ASP 106           H        ASP 106  -7.105  -6.176   9.011
  857    HA   ASP 106           HA       ASP 106  -8.520  -6.582  11.518
  858   1HB   ASP 106          1HB       ASP 106  -7.904  -4.295  10.947
  859   2HB   ASP 106          2HB       ASP 106  -8.771  -4.415   9.418
  860    H    ASP 107           H        ASP 107  -9.245  -6.443   8.048
  861    HA   ASP 107           HA       ASP 107 -11.954  -7.351   8.485
  862   1HB   ASP 107          1HB       ASP 107 -11.218  -5.781   6.606
  863   2HB   ASP 107          2HB       ASP 107 -10.532  -7.204   5.828
  864    H    ALA 108           H        ALA 108 -11.575  -9.310   9.545
  865    HA   ALA 108           HA       ALA 108 -10.575 -11.459   7.805
  866   1HB   ALA 108          1HB       ALA 108  -9.694 -12.591   9.780
  867   2HB   ALA 108          2HB       ALA 108 -10.215 -11.244  10.792
  868   3HB   ALA 108          3HB       ALA 108  -8.960 -11.000   9.577
  869    H    SER 109           H        SER 109 -11.741 -13.291   7.719
  870    HA   SER 109           HA       SER 109 -14.427 -13.229   8.752
  871   1HB   SER 109          1HB       SER 109 -14.028 -14.051   6.486
  872   2HB   SER 109          2HB       SER 109 -12.941 -15.293   7.101
  873    HG   SER 109           HG       SER 109 -14.678 -16.468   7.154
  874    H    LEU 110           H        LEU 110 -15.265 -14.465  10.383
  875    HA   LEU 110           HA       LEU 110 -13.574 -15.588  12.339
  876   1HB   LEU 110          1HB       LEU 110 -16.522 -16.043  11.849
  877   2HB   LEU 110          2HB       LEU 110 -15.662 -16.552  13.289
  878    HG   LEU 110           HG       LEU 110 -16.040 -13.692  12.394
  879   1HD1  LEU 110          1HD1      LEU 110 -17.293 -15.228  14.665
  880   2HD1  LEU 110          2HD1      LEU 110 -18.104 -14.729  13.179
  881   3HD1  LEU 110          3HD1      LEU 110 -17.522 -13.513  14.318
  882   1HD2  LEU 110          1HD2      LEU 110 -13.931 -14.038  13.592
  883   2HD2  LEU 110          2HD2      LEU 110 -14.809 -14.806  14.915
  884   3HD2  LEU 110          3HD2      LEU 110 -15.075 -13.101  14.551
  885    H    GLU 111           H        GLU 111 -15.076 -16.869   9.499
  886    HA   GLU 111           HA       GLU 111 -13.928 -19.509  10.078
  887   1HB   GLU 111          1HB       GLU 111 -16.346 -19.461   9.504
  888   2HB   GLU 111          2HB       GLU 111 -15.946 -18.727   7.959
  889   1HG   GLU 111          1HG       GLU 111 -14.796 -20.695   7.246
  890   2HG   GLU 111          2HG       GLU 111 -14.953 -21.420   8.845
  891    H    HIS 112           H        HIS 112 -11.916 -19.640   9.341
  892    HA   HIS 112           HA       HIS 112 -10.841 -17.779   7.489
  893   1HB   HIS 112          1HB       HIS 112  -9.741 -20.279   8.754
  894   2HB   HIS 112          2HB       HIS 112  -8.815 -19.344   7.586
  895    HD1  HIS 112           HD1      HIS 112  -9.811 -19.433  11.138
  896    HD2  HIS 112           HD2      HIS 112  -8.124 -16.708   8.481
  897    HE1  HIS 112           HE1      HIS 112  -8.834 -17.604  12.562
  898    HE2  HIS 112           HE2      HIS 112  -7.644 -16.078  10.944
  899    H    HIS 113           H        HIS 113 -11.956 -21.102   7.212
  900    HA   HIS 113           HA       HIS 113 -11.555 -20.879   4.298
  901   1HB   HIS 113          1HB       HIS 113 -11.827 -23.357   6.018
  902   2HB   HIS 113          2HB       HIS 113 -11.793 -23.372   4.256
  903    HD1  HIS 113           HD1      HIS 113  -9.636 -24.386   6.641
  904    HD2  HIS 113           HD2      HIS 113  -9.244 -21.463   3.710
  905    HE1  HIS 113           HE1      HIS 113  -7.164 -24.073   6.320
  906    HE2  HIS 113           HE2      HIS 113  -6.964 -22.129   4.730
  907    H    HIS 114           H        HIS 114 -13.429 -19.632   4.050
  908    HA   HIS 114           HA       HIS 114 -15.935 -20.757   5.025
  909   1HB   HIS 114          1HB       HIS 114 -15.505 -18.372   5.426
  910   2HB   HIS 114          2HB       HIS 114 -15.383 -18.097   3.692
  911    HD1  HIS 114           HD1      HIS 114 -18.000 -19.730   5.939
  912    HD2  HIS 114           HD2      HIS 114 -17.695 -17.027   2.787
  913    HE1  HIS 114           HE1      HIS 114 -20.355 -18.983   5.447
  914    HE2  HIS 114           HE2      HIS 114 -20.162 -17.483   3.430
  915    H    HIS 115           H        HIS 115 -16.969 -22.123   3.806
  916    HA   HIS 115           HA       HIS 115 -16.797 -22.010   0.904
  917   1HB   HIS 115          1HB       HIS 115 -18.279 -23.861   2.792
  918   2HB   HIS 115          2HB       HIS 115 -18.347 -23.994   1.039
  919    HD1  HIS 115           HD1      HIS 115 -16.863 -25.769   0.208
  920    HD2  HIS 115           HD2      HIS 115 -15.304 -23.937   3.604
  921    HE1  HIS 115           HE1      HIS 115 -14.685 -26.940   0.673
  922    HE2  HIS 115           HE2      HIS 115 -13.686 -25.719   2.641
  923    H    HIS 116           H        HIS 116 -18.961 -22.185  -0.301
  924    HA   HIS 116           HA       HIS 116 -20.613 -19.964   0.580
  925   1HB   HIS 116          1HB       HIS 116 -20.695 -21.654  -1.927
  926   2HB   HIS 116          2HB       HIS 116 -21.787 -20.311  -1.607
  927    HD1  HIS 116           HD1      HIS 116 -18.642 -21.070  -3.188
  928    HD2  HIS 116           HD2      HIS 116 -20.265 -17.778  -1.230
  929    HE1  HIS 116           HE1      HIS 116 -17.224 -19.110  -3.866
  930    HE2  HIS 116           HE2      HIS 116 -18.086 -17.176  -2.492
  931    H    HIS 117           H        HIS 117 -20.590 -23.325   0.836
  932    HA   HIS 117           HA       HIS 117 -23.459 -23.453   1.408
  933   1HB   HIS 117          1HB       HIS 117 -22.547 -25.232  -0.033
  934   2HB   HIS 117          2HB       HIS 117 -21.395 -25.669   1.225
  935    HD1  HIS 117           HD1      HIS 117 -25.088 -25.768   0.462
  936    HD2  HIS 117           HD2      HIS 117 -22.360 -27.373   3.161
  937    HE1  HIS 117           HE1      HIS 117 -26.352 -27.534   1.741
  938    HE2  HIS 117           HE2      HIS 117 -24.655 -28.553   3.308
  Start of MODEL   18
    1   1H    MET   1          1H        MET   1 -18.217  -3.755   5.586
    2   2H    MET   1          2H        MET   1 -17.113  -4.558   4.577
    3   3H    MET   1          3H        MET   1 -18.759  -4.953   4.517
    4    HA   MET   1           HA       MET   1 -18.074  -3.589   2.634
    5   1HB   MET   1          1HB       MET   1 -20.001  -2.347   4.598
    6   2HB   MET   1          2HB       MET   1 -19.817  -1.796   2.942
    7   1HG   MET   1          1HG       MET   1 -20.496  -4.011   2.144
    8   2HG   MET   1          2HG       MET   1 -20.717  -4.530   3.814
    9   1HE   MET   1          1HE       MET   1 -22.981  -4.679   1.492
   10   2HE   MET   1          2HE       MET   1 -24.397  -4.186   2.419
   11   3HE   MET   1          3HE       MET   1 -23.215  -5.284   3.134
   12    H    THR   2           H        THR   2 -18.296  -1.488   5.497
   13    HA   THR   2           HA       THR   2 -17.303   0.790   4.297
   14    HB   THR   2           HB       THR   2 -17.016   0.131   7.228
   15    HG1  THR   2           HG1      THR   2 -19.293   0.784   5.650
   16   1HG2  THR   2          1HG2      THR   2 -17.540   2.738   5.792
   17   2HG2  THR   2          2HG2      THR   2 -15.995   2.246   6.486
   18   3HG2  THR   2          3HG2      THR   2 -17.383   2.522   7.537
   19    H    THR   3           H        THR   3 -15.505  -1.807   5.854
   20    HA   THR   3           HA       THR   3 -13.080  -0.549   6.329
   21    HB   THR   3           HB       THR   3 -13.478  -3.408   5.429
   22    HG1  THR   3           HG1      THR   3 -13.507  -3.726   7.795
   23   1HG2  THR   3          1HG2      THR   3 -11.127  -2.731   5.425
   24   2HG2  THR   3          2HG2      THR   3 -11.448  -3.860   6.742
   25   3HG2  THR   3          3HG2      THR   3 -11.285  -2.136   7.077
   26    H    HIS   4           H        HIS   4 -14.444  -1.620   3.298
   27    HA   HIS   4           HA       HIS   4 -12.023  -1.859   1.853
   28   1HB   HIS   4          1HB       HIS   4 -14.861  -1.410   0.918
   29   2HB   HIS   4          2HB       HIS   4 -13.506  -1.669  -0.179
   30    HD1  HIS   4           HD1      HIS   4 -16.124  -3.581   0.545
   31    HD2  HIS   4           HD2      HIS   4 -12.106  -4.159   1.460
   32    HE1  HIS   4           HE1      HIS   4 -15.856  -6.053   0.909
   33    HE2  HIS   4           HE2      HIS   4 -13.483  -6.331   1.721
   34    H    ASP   5           H        ASP   5 -14.091   0.901   2.546
   35    HA   ASP   5           HA       ASP   5 -12.697   2.548   0.617
   36   1HB   ASP   5          1HB       ASP   5 -15.128   2.877   1.162
   37   2HB   ASP   5          2HB       ASP   5 -14.629   3.466   2.748
   38    H    ARG   6           H        ARG   6 -12.590   1.892   4.035
   39    HA   ARG   6           HA       ARG   6 -11.005   4.071   4.846
   40   1HB   ARG   6          1HB       ARG   6 -11.060   1.262   5.961
   41   2HB   ARG   6          2HB       ARG   6 -10.362   2.662   6.761
   42   1HG   ARG   6          1HG       ARG   6 -12.627   3.706   6.740
   43   2HG   ARG   6          2HG       ARG   6 -13.261   2.174   6.133
   44   1HD   ARG   6          1HD       ARG   6 -12.367   1.036   8.114
   45   2HD   ARG   6          2HD       ARG   6 -11.778   2.579   8.727
   46    HE   ARG   6           HE       ARG   6 -14.549   1.664   8.624
   47   1HH1  ARG   6          1HH1      ARG   6 -12.289   4.258   9.292
   48   2HH1  ARG   6          2HH1      ARG   6 -13.395   5.129  10.310
   49   1HH2  ARG   6          1HH2      ARG   6 -16.010   2.816   9.969
   50   2HH2  ARG   6          2HH2      ARG   6 -15.510   4.329  10.672
   51    H    VAL   7           H        VAL   7 -10.206   0.950   3.438
   52    HA   VAL   7           HA       VAL   7  -7.406   1.111   3.698
   53    HB   VAL   7           HB       VAL   7  -8.988  -0.280   1.525
   54   1HG1  VAL   7          1HG1      VAL   7  -6.630  -0.030   0.960
   55   2HG1  VAL   7          2HG1      VAL   7  -7.025  -1.715   1.293
   56   3HG1  VAL   7          3HG1      VAL   7  -6.174  -0.754   2.502
   57   1HG2  VAL   7          1HG2      VAL   7  -9.706  -1.027   3.717
   58   2HG2  VAL   7          2HG2      VAL   7  -8.034  -1.303   4.198
   59   3HG2  VAL   7          3HG2      VAL   7  -8.762  -2.290   2.931
   60    H    ARG   8           H        ARG   8  -9.660   2.406   1.344
   61    HA   ARG   8           HA       ARG   8  -7.798   3.188  -0.628
   62   1HB   ARG   8          1HB       ARG   8 -10.333   3.111  -0.843
   63   2HB   ARG   8          2HB       ARG   8 -10.362   4.638   0.030
   64   1HG   ARG   8          1HG       ARG   8  -8.652   5.353  -1.831
   65   2HG   ARG   8          2HG       ARG   8  -9.422   4.040  -2.723
   66   1HD   ARG   8          1HD       ARG   8 -10.679   6.530  -1.607
   67   2HD   ARG   8          2HD       ARG   8 -10.598   6.000  -3.286
   68    HE   ARG   8           HE       ARG   8 -12.282   4.745  -1.206
   69   1HH1  ARG   8          1HH1      ARG   8 -11.628   5.591  -4.544
   70   2HH1  ARG   8          2HH1      ARG   8 -13.141   4.961  -5.131
   71   1HH2  ARG   8          1HH2      ARG   8 -14.285   4.000  -1.940
   72   2HH2  ARG   8          2HH2      ARG   8 -14.685   4.087  -3.635
   73    H    LEU   9           H        LEU   9  -9.049   4.751   2.263
   74    HA   LEU   9           HA       LEU   9  -7.865   7.278   1.881
   75   1HB   LEU   9          1HB       LEU   9  -8.409   5.924   4.522
   76   2HB   LEU   9          2HB       LEU   9  -8.278   7.648   4.227
   77    HG   LEU   9           HG       LEU   9 -10.478   5.830   3.246
   78   1HD1  LEU   9          1HD1      LEU   9 -10.604   6.340   5.627
   79   2HD1  LEU   9          2HD1      LEU   9 -11.897   7.137   4.732
   80   3HD1  LEU   9          3HD1      LEU   9 -10.494   8.063   5.268
   81   1HD2  LEU   9          1HD2      LEU   9  -9.994   7.563   1.604
   82   2HD2  LEU   9          2HD2      LEU   9 -10.113   8.798   2.858
   83   3HD2  LEU   9          3HD2      LEU   9 -11.538   7.862   2.401
   84    H    GLN  10           H        GLN  10  -6.716   4.319   3.399
   85    HA   GLN  10           HA       GLN  10  -4.268   5.387   4.350
   86   1HB   GLN  10          1HB       GLN  10  -5.487   3.209   5.027
   87   2HB   GLN  10          2HB       GLN  10  -4.698   2.497   3.629
   88   1HG   GLN  10          1HG       GLN  10  -3.164   3.904   5.787
   89   2HG   GLN  10          2HG       GLN  10  -3.581   2.195   5.884
   90   1HE2  GLN  10          1HE2      GLN  10  -0.985   3.613   5.682
   91   2HE2  GLN  10          2HE2      GLN  10  -0.200   2.893   4.316
   92    H    LEU  11           H        LEU  11  -5.253   3.831   1.338
   93    HA   LEU  11           HA       LEU  11  -2.747   3.598   0.124
   94   1HB   LEU  11          1HB       LEU  11  -5.424   4.205  -1.127
   95   2HB   LEU  11          2HB       LEU  11  -3.986   3.790  -2.036
   96    HG   LEU  11           HG       LEU  11  -5.408   2.000  -0.066
   97   1HD1  LEU  11          1HD1      LEU  11  -5.967   0.680  -2.045
   98   2HD1  LEU  11          2HD1      LEU  11  -5.189   1.884  -3.071
   99   3HD1  LEU  11          3HD1      LEU  11  -6.632   2.309  -2.150
  100   1HD2  LEU  11          1HD2      LEU  11  -2.995   1.484  -1.798
  101   2HD2  LEU  11          2HD2      LEU  11  -3.853   0.270  -0.851
  102   3HD2  LEU  11          3HD2      LEU  11  -3.012   1.592  -0.039
  103    H    GLN  12           H        GLN  12  -4.926   6.362   0.385
  104    HA   GLN  12           HA       GLN  12  -3.422   8.078  -1.298
  105   1HB   GLN  12          1HB       GLN  12  -5.331   8.771   0.942
  106   2HB   GLN  12          2HB       GLN  12  -4.706   9.909  -0.243
  107   1HG   GLN  12          1HG       GLN  12  -5.756   8.534  -2.026
  108   2HG   GLN  12          2HG       GLN  12  -6.494   7.550  -0.762
  109   1HE2  GLN  12          1HE2      GLN  12  -7.737   9.184  -2.822
  110   2HE2  GLN  12          2HE2      GLN  12  -8.728  10.345  -1.996
  111    H    ALA  13           H        ALA  13  -3.272   7.280   2.117
  112    HA   ALA  13           HA       ALA  13  -1.360   9.220   2.873
  113   1HB   ALA  13          1HB       ALA  13  -2.624   7.898   4.510
  114   2HB   ALA  13          2HB       ALA  13  -0.885   7.771   4.775
  115   3HB   ALA  13          3HB       ALA  13  -1.757   6.448   4.003
  116    H    LEU  14           H        LEU  14  -1.046   5.937   1.565
  117    HA   LEU  14           HA       LEU  14   1.778   5.861   1.516
  118   1HB   LEU  14          1HB       LEU  14  -0.239   4.479  -0.252
  119   2HB   LEU  14          2HB       LEU  14   1.473   4.109  -0.231
  120    HG   LEU  14           HG       LEU  14  -0.411   3.769   2.107
  121   1HD1  LEU  14          1HD1      LEU  14   0.860   1.710   0.307
  122   2HD1  LEU  14          2HD1      LEU  14  -0.836   2.189   0.276
  123   3HD1  LEU  14          3HD1      LEU  14  -0.172   1.389   1.701
  124   1HD2  LEU  14          1HD2      LEU  14   1.854   4.264   2.830
  125   2HD2  LEU  14          2HD2      LEU  14   2.491   3.017   1.759
  126   3HD2  LEU  14          3HD2      LEU  14   1.474   2.569   3.128
  127    H    GLU  15           H        GLU  15  -0.629   7.010  -0.782
  128    HA   GLU  15           HA       GLU  15   1.034   7.623  -2.939
  129   1HB   GLU  15          1HB       GLU  15  -1.433   7.660  -3.021
  130   2HB   GLU  15          2HB       GLU  15  -1.443   9.082  -1.990
  131   1HG   GLU  15          1HG       GLU  15  -0.214  10.313  -3.744
  132   2HG   GLU  15          2HG       GLU  15  -0.339   8.891  -4.780
  133    H    ALA  16           H        ALA  16   0.085   9.583  -0.141
  134    HA   ALA  16           HA       ALA  16   1.646  11.849  -0.847
  135   1HB   ALA  16          1HB       ALA  16  -0.250  12.000   0.687
  136   2HB   ALA  16          2HB       ALA  16   1.227  12.609   1.434
  137   3HB   ALA  16          3HB       ALA  16   0.616  11.010   1.863
  138    H    LEU  17           H        LEU  17   2.276   8.953   1.043
  139    HA   LEU  17           HA       LEU  17   4.728   9.703   2.172
  140   1HB   LEU  17          1HB       LEU  17   3.496   7.704   2.856
  141   2HB   LEU  17          2HB       LEU  17   3.784   6.975   1.288
  142    HG   LEU  17           HG       LEU  17   6.325   7.558   2.147
  143   1HD1  LEU  17          1HD1      LEU  17   5.503   8.165   4.359
  144   2HD1  LEU  17          2HD1      LEU  17   6.500   6.712   4.416
  145   3HD1  LEU  17          3HD1      LEU  17   4.744   6.580   4.516
  146   1HD2  LEU  17          1HD2      LEU  17   5.630   5.538   1.024
  147   2HD2  LEU  17          2HD2      LEU  17   4.748   5.011   2.459
  148   3HD2  LEU  17          3HD2      LEU  17   6.504   5.138   2.500
  149    H    LEU  18           H        LEU  18   4.026   7.979  -0.863
  150    HA   LEU  18           HA       LEU  18   6.711   7.837  -1.738
  151   1HB   LEU  18          1HB       LEU  18   4.154   7.835  -3.343
  152   2HB   LEU  18          2HB       LEU  18   5.733   7.422  -3.981
  153    HG   LEU  18           HG       LEU  18   4.242   5.905  -1.835
  154   1HD1  LEU  18          1HD1      LEU  18   4.857   5.196  -4.700
  155   2HD1  LEU  18          2HD1      LEU  18   3.273   5.619  -4.050
  156   3HD1  LEU  18          3HD1      LEU  18   4.078   4.144  -3.518
  157   1HD2  LEU  18          1HD2      LEU  18   6.040   4.260  -2.025
  158   2HD2  LEU  18          2HD2      LEU  18   6.658   5.822  -1.487
  159   3HD2  LEU  18          3HD2      LEU  18   6.889   5.311  -3.159
  160    H    ARG  19           H        ARG  19   4.284  10.286  -1.888
  161    HA   ARG  19           HA       ARG  19   5.467  12.028  -3.769
  162   1HB   ARG  19          1HB       ARG  19   3.132  12.170  -2.970
  163   2HB   ARG  19          2HB       ARG  19   3.713  12.641  -1.382
  164   1HG   ARG  19          1HG       ARG  19   4.775  14.640  -2.515
  165   2HG   ARG  19          2HG       ARG  19   3.822  14.206  -3.938
  166   1HD   ARG  19          1HD       ARG  19   1.800  14.207  -2.404
  167   2HD   ARG  19          2HD       ARG  19   2.835  14.970  -1.200
  168    HE   ARG  19           HE       ARG  19   2.106  16.150  -3.804
  169   1HH1  ARG  19          1HH1      ARG  19   3.237  16.500  -0.503
  170   2HH1  ARG  19          2HH1      ARG  19   2.963  18.217  -0.456
  171   1HH2  ARG  19          1HH2      ARG  19   1.775  18.402  -3.755
  172   2HH2  ARG  19          2HH2      ARG  19   2.128  19.295  -2.306
  173    H    GLU  20           H        GLU  20   5.552  11.989  -0.200
  174    HA   GLU  20           HA       GLU  20   7.403  14.089   0.116
  175   1HB   GLU  20          1HB       GLU  20   6.987  11.718   1.941
  176   2HB   GLU  20          2HB       GLU  20   7.735  13.244   2.379
  177   1HG   GLU  20          1HG       GLU  20   5.594  14.382   1.974
  178   2HG   GLU  20          2HG       GLU  20   4.858  12.819   1.613
  179    H    HIS  21           H        HIS  21   7.835  10.576  -0.042
  180    HA   HIS  21           HA       HIS  21  10.697  10.857   0.324
  181   1HB   HIS  21          1HB       HIS  21   8.910   8.441   0.024
  182   2HB   HIS  21          2HB       HIS  21  10.661   8.332   0.184
  183    HD1  HIS  21           HD1      HIS  21  11.601   8.409   2.517
  184    HD2  HIS  21           HD2      HIS  21   7.612   9.578   2.372
  185    HE1  HIS  21           HE1      HIS  21  10.875   8.652   4.910
  186    HE2  HIS  21           HE2      HIS  21   8.553   9.628   4.773
  187    H    GLN  22           H        GLN  22   8.949  11.534  -2.183
  188    HA   GLN  22           HA       GLN  22   9.346  11.802  -4.395
  189   1HB   GLN  22          1HB       GLN  22  12.185  11.533  -3.408
  190   2HB   GLN  22          2HB       GLN  22  11.725  12.167  -4.985
  191   1HG   GLN  22          1HG       GLN  22  10.523  13.983  -3.941
  192   2HG   GLN  22          2HG       GLN  22  10.880  13.331  -2.344
  193   1HE2  GLN  22          1HE2      GLN  22  11.502  15.916  -3.505
  194   2HE2  GLN  22          2HE2      GLN  22  13.219  16.096  -3.406
  195    H    HIS  23           H        HIS  23   8.783   9.090  -3.702
  196    HA   HIS  23           HA       HIS  23  10.457   7.661  -5.649
  197   1HB   HIS  23          1HB       HIS  23   9.011   6.791  -3.212
  198   2HB   HIS  23          2HB       HIS  23   9.044   5.658  -4.561
  199    HD1  HIS  23           HD1      HIS  23  11.607   5.300  -5.556
  200    HD2  HIS  23           HD2      HIS  23  11.201   6.592  -1.619
  201    HE1  HIS  23           HE1      HIS  23  13.798   4.760  -4.432
  202    HE2  HIS  23           HE2      HIS  23  13.516   5.497  -2.033
  203    H    TRP  24           H        TRP  24   7.920   9.459  -5.818
  204    HA   TRP  24           HA       TRP  24   6.254   7.655  -7.404
  205   1HB   TRP  24          1HB       TRP  24   5.246   9.262  -5.709
  206   2HB   TRP  24          2HB       TRP  24   5.738  10.569  -6.780
  207    HD1  TRP  24           HD1      TRP  24   4.397  10.830  -9.093
  208    HE1  TRP  24           HE1      TRP  24   2.076   9.983  -9.833
  209    HE3  TRP  24           HE3      TRP  24   3.627   7.339  -5.452
  210    HZ2  TRP  24           HZ2      TRP  24   0.174   8.084  -8.968
  211    HZ3  TRP  24           HZ3      TRP  24   1.533   6.055  -5.473
  212    HH2  TRP  24           HH2      TRP  24  -0.159   6.419  -7.193
  213    H    ARG  25           H        ARG  25   7.231   7.357  -9.330
  214    HA   ARG  25           HA       ARG  25   8.666   9.354 -10.756
  215   1HB   ARG  25          1HB       ARG  25   7.374   6.801 -11.722
  216   2HB   ARG  25          2HB       ARG  25   8.409   7.816 -12.709
  217   1HG   ARG  25          1HG       ARG  25  10.253   7.385 -11.083
  218   2HG   ARG  25          2HG       ARG  25   9.186   6.221 -10.281
  219   1HD   ARG  25          1HD       ARG  25   8.918   5.041 -12.438
  220   2HD   ARG  25          2HD       ARG  25  10.069   6.155 -13.164
  221    HE   ARG  25           HE       ARG  25  11.019   4.642 -10.862
  222   1HH1  ARG  25          1HH1      ARG  25  10.889   5.012 -14.347
  223   2HH1  ARG  25          2HH1      ARG  25  12.145   3.853 -14.655
  224   1HH2  ARG  25          1HH2      ARG  25  12.658   3.101 -11.258
  225   2HH2  ARG  25          2HH2      ARG  25  13.163   2.780 -12.896
  226    H    ASN  26           H        ASN  26   8.046  10.199 -12.889
  227    HA   ASN  26           HA       ASN  26   5.134  10.517 -13.198
  228   1HB   ASN  26          1HB       ASN  26   5.554  12.496 -14.514
  229   2HB   ASN  26          2HB       ASN  26   6.468  12.637 -13.019
  230   1HD2  ASN  26          1HD2      ASN  26   6.832  13.906 -15.638
  231   2HD2  ASN  26          2HD2      ASN  26   8.447  13.520 -16.135
  232    H    ASP  27           H        ASP  27   7.397   8.507 -14.045
  233    HA   ASP  27           HA       ASP  27   7.353   8.386 -16.876
  234   1HB   ASP  27          1HB       ASP  27   8.036   6.316 -14.780
  235   2HB   ASP  27          2HB       ASP  27   8.232   6.050 -16.508
  236    H    GLU  28           H        GLU  28   6.577   6.409 -18.037
  237    HA   GLU  28           HA       GLU  28   3.866   5.718 -17.141
  238   1HB   GLU  28          1HB       GLU  28   3.486   5.011 -19.482
  239   2HB   GLU  28          2HB       GLU  28   3.940   6.706 -19.360
  240   1HG   GLU  28          1HG       GLU  28   6.141   6.253 -20.123
  241   2HG   GLU  28          2HG       GLU  28   5.888   4.513 -20.004
  242    HA   PRO  29           HA       PRO  29   5.396   1.562 -16.574
  243   1HB   PRO  29          1HB       PRO  29   3.080   0.346 -15.992
  244   2HB   PRO  29          2HB       PRO  29   3.823   1.498 -14.875
  245   1HG   PRO  29          1HG       PRO  29   1.516   1.867 -16.726
  246   2HG   PRO  29          2HG       PRO  29   1.771   2.532 -15.104
  247   1HD   PRO  29          1HD       PRO  29   2.207   3.879 -17.511
  248   2HD   PRO  29          2HD       PRO  29   2.839   4.363 -15.925
  249    H    GLN  30           H        GLN  30   5.614  -0.288 -17.790
  250    HA   GLN  30           HA       GLN  30   4.027  -0.389 -20.270
  251   1HB   GLN  30          1HB       GLN  30   6.852  -1.291 -19.703
  252   2HB   GLN  30          2HB       GLN  30   5.969  -1.800 -21.135
  253   1HG   GLN  30          1HG       GLN  30   7.267  -0.005 -21.848
  254   2HG   GLN  30          2HG       GLN  30   5.658   0.676 -21.629
  255   1HE2  GLN  30          1HE2      GLN  30   6.386   2.758 -21.344
  256   2HE2  GLN  30          2HE2      GLN  30   7.238   3.266 -19.929
  257    HA   PRO  31           HA       PRO  31   2.037  -4.137 -19.095
  258   1HB   PRO  31          1HB       PRO  31   2.799  -5.045 -21.834
  259   2HB   PRO  31          2HB       PRO  31   1.224  -5.084 -21.030
  260   1HG   PRO  31          1HG       PRO  31   1.738  -3.236 -22.860
  261   2HG   PRO  31          2HG       PRO  31   0.835  -2.824 -21.390
  262   1HD   PRO  31          1HD       PRO  31   3.671  -2.231 -22.105
  263   2HD   PRO  31          2HD       PRO  31   2.508  -1.251 -21.192
  264    H    HIS  32           H        HIS  32   5.175  -4.399 -20.744
  265    HA   HIS  32           HA       HIS  32   5.697  -7.074 -20.020
  266   1HB   HIS  32          1HB       HIS  32   6.960  -5.866 -21.764
  267   2HB   HIS  32          2HB       HIS  32   7.697  -4.859 -20.522
  268    HD1  HIS  32           HD1      HIS  32   7.766  -8.335 -21.943
  269    HD2  HIS  32           HD2      HIS  32   9.784  -6.047 -19.113
  270    HE1  HIS  32           HE1      HIS  32   9.791  -9.674 -21.305
  271    HE2  HIS  32           HE2      HIS  32  10.901  -8.355 -19.471
  272    H    GLN  33           H        GLN  33   6.062  -4.066 -18.284
  273    HA   GLN  33           HA       GLN  33   7.657  -5.085 -16.161
  274   1HB   GLN  33          1HB       GLN  33   5.760  -2.728 -16.231
  275   2HB   GLN  33          2HB       GLN  33   6.894  -3.066 -14.930
  276   1HG   GLN  33          1HG       GLN  33   8.761  -2.760 -16.427
  277   2HG   GLN  33          2HG       GLN  33   7.666  -2.534 -17.790
  278   1HE2  GLN  33          1HE2      GLN  33   9.708  -0.763 -16.672
  279   2HE2  GLN  33          2HE2      GLN  33   8.885   0.712 -16.287
  280    H    PHE  34           H        PHE  34   4.354  -5.340 -17.006
  281    HA   PHE  34           HA       PHE  34   3.591  -6.211 -14.325
  282   1HB   PHE  34          1HB       PHE  34   1.926  -5.721 -16.801
  283   2HB   PHE  34          2HB       PHE  34   1.282  -6.257 -15.254
  284    HD1  PHE  34           HD2      PHE  34   1.460  -4.742 -13.269
  285    HD2  PHE  34           HD1      PHE  34   2.370  -3.451 -17.222
  286    HE1  PHE  34           HE2      PHE  34   1.243  -2.399 -12.550
  287    HE2  PHE  34           HE1      PHE  34   2.156  -1.107 -16.507
  288    HZ   PHE  34           HZ       PHE  34   1.591  -0.579 -14.171
  289    H    ASN  35           H        ASN  35   5.090  -7.590 -16.810
  290    HA   ASN  35           HA       ASN  35   3.488  -9.986 -17.077
  291   1HB   ASN  35          1HB       ASN  35   6.191  -9.207 -18.161
  292   2HB   ASN  35          2HB       ASN  35   5.535 -10.828 -18.358
  293   1HD2  ASN  35          1HD2      ASN  35   2.779  -9.818 -18.598
  294   2HD2  ASN  35          2HD2      ASN  35   2.676  -9.152 -20.191
  295    H    SER  36           H        SER  36   5.965  -8.837 -15.016
  296    HA   SER  36           HA       SER  36   6.882 -11.409 -14.144
  297   1HB   SER  36          1HB       SER  36   7.096  -8.731 -12.741
  298   2HB   SER  36          2HB       SER  36   8.048 -10.178 -12.397
  299    HG   SER  36           HG       SER  36   8.751 -10.002 -14.672
  300    H    THR  37           H        THR  37   5.063 -12.596 -13.585
  301    HA   THR  37           HA       THR  37   3.045 -11.556 -11.860
  302    HB   THR  37           HB       THR  37   2.547 -13.320 -13.508
  303    HG1  THR  37           HG1      THR  37   2.018 -13.644 -10.766
  304   1HG2  THR  37          1HG2      THR  37   4.609 -14.614 -13.345
  305   2HG2  THR  37          2HG2      THR  37   3.203 -15.643 -13.065
  306   3HG2  THR  37          3HG2      THR  37   4.187 -15.102 -11.704
  307    H    GLN  38           H        GLN  38   6.139 -12.717 -11.324
  308    HA   GLN  38           HA       GLN  38   5.964 -13.937  -8.808
  309   1HB   GLN  38          1HB       GLN  38   8.002 -13.713 -10.336
  310   2HB   GLN  38          2HB       GLN  38   8.178 -12.083  -9.705
  311   1HG   GLN  38          1HG       GLN  38   8.415 -12.997  -7.444
  312   2HG   GLN  38          2HG       GLN  38   8.284 -14.628  -8.101
  313   1HE2  GLN  38          1HE2      GLN  38  10.295 -11.852  -7.717
  314   2HE2  GLN  38          2HE2      GLN  38  11.752 -12.557  -8.319
  315    HA   PRO  39           HA       PRO  39   4.422 -10.816  -6.068
  316   1HB   PRO  39          1HB       PRO  39   6.691 -11.710  -4.338
  317   2HB   PRO  39          2HB       PRO  39   4.985 -11.480  -3.929
  318   1HG   PRO  39          1HG       PRO  39   5.968 -13.921  -4.318
  319   2HG   PRO  39          2HG       PRO  39   4.345 -13.489  -4.884
  320   1HD   PRO  39          1HD       PRO  39   6.850 -13.882  -6.436
  321   2HD   PRO  39          2HD       PRO  39   5.168 -14.170  -6.913
  322    H    PHE  40           H        PHE  40   4.782  -8.708  -5.885
  323    HA   PHE  40           HA       PHE  40   5.768  -6.678  -5.721
  324   1HB   PHE  40          1HB       PHE  40   8.318  -8.217  -5.205
  325   2HB   PHE  40          2HB       PHE  40   8.123  -6.479  -5.009
  326    HD1  PHE  40           HD2      PHE  40   6.672  -5.599  -3.213
  327    HD2  PHE  40           HD1      PHE  40   7.559  -9.745  -3.565
  328    HE1  PHE  40           HE2      PHE  40   5.939  -5.954  -0.891
  329    HE2  PHE  40           HE1      PHE  40   6.828 -10.106  -1.247
  330    HZ   PHE  40           HZ       PHE  40   6.018  -8.209   0.095
  331    H    PHE  41           H        PHE  41   6.358  -8.843  -8.137
  332    HA   PHE  41           HA       PHE  41   7.085  -8.698 -10.285
  333   1HB   PHE  41          1HB       PHE  41   6.565  -5.769  -9.732
  334   2HB   PHE  41          2HB       PHE  41   6.954  -6.398 -11.328
  335    HD1  PHE  41           HD2      PHE  41   4.573  -7.158  -8.543
  336    HD2  PHE  41           HD1      PHE  41   5.191  -6.785 -12.734
  337    HE1  PHE  41           HE2      PHE  41   2.200  -7.662  -8.934
  338    HE2  PHE  41           HE1      PHE  41   2.817  -7.292 -13.130
  339    HZ   PHE  41           HZ       PHE  41   1.318  -7.732 -11.230
  340    H    MET  42           H        MET  42   9.025  -8.908  -8.339
  341    HA   MET  42           HA       MET  42  11.035  -7.046  -8.132
  342   1HB   MET  42          1HB       MET  42  11.463 -10.035  -8.196
  343   2HB   MET  42          2HB       MET  42  12.464  -8.840  -7.385
  344   1HG   MET  42          1HG       MET  42  10.777  -8.410  -5.766
  345   2HG   MET  42          2HG       MET  42   9.596  -9.365  -6.661
  346   1HE   MET  42          1HE       MET  42   8.887 -10.939  -4.699
  347   2HE   MET  42          2HE       MET  42   9.858  -9.908  -3.645
  348   3HE   MET  42          3HE       MET  42  10.032 -11.662  -3.569
  349    H    ASP  43           H        ASP  43  10.478  -9.301 -10.749
  350    HA   ASP  43           HA       ASP  43  13.118  -9.338 -11.753
  351   1HB   ASP  43          1HB       ASP  43  10.511  -9.968 -13.143
  352   2HB   ASP  43          2HB       ASP  43  12.109 -10.331 -13.787
  353    H    THR  44           H        THR  44  10.232  -7.572 -12.918
  354    HA   THR  44           HA       THR  44  11.996  -6.103 -14.739
  355    HB   THR  44           HB       THR  44   9.832  -5.363 -15.809
  356    HG1  THR  44           HG1      THR  44   8.591  -7.534 -14.514
  357   1HG2  THR  44          1HG2      THR  44  10.415  -8.324 -15.691
  358   2HG2  THR  44          2HG2      THR  44  11.174  -7.151 -16.770
  359   3HG2  THR  44          3HG2      THR  44   9.457  -7.520 -16.935
  360    H    MET  45           H        MET  45  10.068  -5.637 -11.901
  361    HA   MET  45           HA       MET  45  10.417  -2.723 -12.193
  362   1HB   MET  45          1HB       MET  45   8.268  -4.238 -10.703
  363   2HB   MET  45          2HB       MET  45   8.499  -2.497 -10.608
  364   1HG   MET  45          1HG       MET  45   8.126  -2.374 -13.058
  365   2HG   MET  45          2HG       MET  45   7.743  -4.095 -13.042
  366   1HE   MET  45          1HE       MET  45   6.873  -1.401 -10.303
  367   2HE   MET  45          2HE       MET  45   5.265  -0.893 -10.818
  368   3HE   MET  45          3HE       MET  45   6.670  -0.518 -11.815
  369    H    GLU  46           H        GLU  46  11.037  -1.535 -10.354
  370    HA   GLU  46           HA       GLU  46  12.641  -2.975  -8.444
  371   1HB   GLU  46          1HB       GLU  46  13.027  -0.594  -9.442
  372   2HB   GLU  46          2HB       GLU  46  11.894  -0.071  -8.203
  373   1HG   GLU  46          1HG       GLU  46  14.044   0.249  -7.307
  374   2HG   GLU  46          2HG       GLU  46  13.397  -1.193  -6.523
  375    HA   PRO  47           HA       PRO  47   9.376  -3.903  -5.570
  376   1HB   PRO  47          1HB       PRO  47  11.006  -3.664  -3.294
  377   2HB   PRO  47          2HB       PRO  47  10.683  -5.138  -4.207
  378   1HG   PRO  47          1HG       PRO  47  13.010  -3.287  -4.352
  379   2HG   PRO  47          2HG       PRO  47  12.958  -5.049  -4.548
  380   1HD   PRO  47          1HD       PRO  47  13.227  -3.434  -6.659
  381   2HD   PRO  47          2HD       PRO  47  12.230  -4.903  -6.754
  382    H    LEU  48           H        LEU  48  11.597  -1.222  -4.874
  383    HA   LEU  48           HA       LEU  48   9.878   0.025  -2.975
  384   1HB   LEU  48          1HB       LEU  48  12.245   1.106  -4.508
  385   2HB   LEU  48          2HB       LEU  48  11.416   1.983  -3.240
  386    HG   LEU  48           HG       LEU  48  13.334   1.118  -2.223
  387   1HD1  LEU  48          1HD1      LEU  48  11.114  -0.812  -1.596
  388   2HD1  LEU  48          2HD1      LEU  48  11.354   0.782  -0.876
  389   3HD1  LEU  48          3HD1      LEU  48  12.533  -0.499  -0.594
  390   1HD2  LEU  48          1HD2      LEU  48  12.730  -1.556  -3.471
  391   2HD2  LEU  48          2HD2      LEU  48  14.063  -1.204  -2.372
  392   3HD2  LEU  48          3HD2      LEU  48  14.006  -0.441  -3.961
  393    H    GLU  49           H        GLU  49   9.813  -0.108  -6.356
  394    HA   GLU  49           HA       GLU  49   8.282   2.400  -6.512
  395   1HB   GLU  49          1HB       GLU  49   9.567   0.884  -8.788
  396   2HB   GLU  49          2HB       GLU  49   8.857   2.494  -8.852
  397   1HG   GLU  49          1HG       GLU  49  10.592   3.231  -7.209
  398   2HG   GLU  49          2HG       GLU  49  11.354   1.655  -7.400
  399    H    TRP  50           H        TRP  50   7.896  -0.830  -6.252
  400    HA   TRP  50           HA       TRP  50   5.836  -1.432  -8.090
  401   1HB   TRP  50          1HB       TRP  50   7.070  -3.184  -6.940
  402   2HB   TRP  50          2HB       TRP  50   6.508  -2.602  -5.378
  403    HD1  TRP  50           HD1      TRP  50   5.230  -4.432  -8.512
  404    HE1  TRP  50           HE1      TRP  50   3.118  -5.748  -7.869
  405    HE3  TRP  50           HE3      TRP  50   4.640  -2.735  -3.727
  406    HZ2  TRP  50           HZ2      TRP  50   1.424  -6.033  -5.631
  407    HZ3  TRP  50           HZ3      TRP  50   2.747  -3.580  -2.402
  408    HH2  TRP  50           HH2      TRP  50   1.171  -5.189  -3.336
  409    H    LEU  51           H        LEU  51   5.917   0.133  -4.989
  410    HA   LEU  51           HA       LEU  51   3.230   0.017  -4.236
  411   1HB   LEU  51          1HB       LEU  51   5.216   2.245  -3.770
  412   2HB   LEU  51          2HB       LEU  51   3.734   1.995  -2.871
  413    HG   LEU  51           HG       LEU  51   6.044   0.052  -2.906
  414   1HD1  LEU  51          1HD1      LEU  51   6.523   0.875  -0.653
  415   2HD1  LEU  51          2HD1      LEU  51   5.267   2.101  -0.834
  416   3HD1  LEU  51          3HD1      LEU  51   6.699   2.151  -1.859
  417   1HD2  LEU  51          1HD2      LEU  51   4.901  -0.960  -1.009
  418   2HD2  LEU  51          2HD2      LEU  51   3.863  -0.958  -2.435
  419   3HD2  LEU  51          3HD2      LEU  51   3.598   0.220  -1.149
  420    H    GLN  52           H        GLN  52   4.869   1.968  -6.590
  421    HA   GLN  52           HA       GLN  52   3.037   4.141  -6.603
  422   1HB   GLN  52          1HB       GLN  52   5.388   4.385  -7.252
  423   2HB   GLN  52          2HB       GLN  52   5.117   3.338  -8.639
  424   1HG   GLN  52          1HG       GLN  52   3.453   4.997  -9.470
  425   2HG   GLN  52          2HG       GLN  52   3.950   6.065  -8.157
  426   1HE2  GLN  52          1HE2      GLN  52   4.129   6.472 -11.016
  427   2HE2  GLN  52          2HE2      GLN  52   5.805   6.722 -11.360
  428    H    TRP  53           H        TRP  53   3.783   1.881  -9.285
  429    HA   TRP  53           HA       TRP  53   1.282   2.724 -10.504
  430   1HB   TRP  53          1HB       TRP  53   3.789   1.505 -11.522
  431   2HB   TRP  53          2HB       TRP  53   2.305   1.182 -12.414
  432    HD1  TRP  53           HD1      TRP  53   5.056   3.521 -12.460
  433    HE1  TRP  53           HE1      TRP  53   4.415   5.723 -13.641
  434    HE3  TRP  53           HE3      TRP  53  -0.035   3.004 -12.469
  435    HZ2  TRP  53           HZ2      TRP  53   2.078   7.058 -14.458
  436    HZ3  TRP  53           HZ3      TRP  53  -1.399   4.792 -13.471
  437    HH2  TRP  53           HH2      TRP  53  -0.361   6.776 -14.443
  438    H    VAL  54           H        VAL  54   2.268   0.095  -8.622
  439    HA   VAL  54           HA       VAL  54   0.194  -1.556  -9.894
  440    HB   VAL  54           HB       VAL  54   2.323  -2.567  -8.017
  441   1HG1  VAL  54          1HG1      VAL  54   1.592  -4.769  -8.841
  442   2HG1  VAL  54          2HG1      VAL  54   0.346  -3.982  -9.811
  443   3HG1  VAL  54          3HG1      VAL  54   0.278  -3.893  -8.051
  444   1HG2  VAL  54          1HG2      VAL  54   3.327  -1.740 -10.098
  445   2HG2  VAL  54          2HG2      VAL  54   2.212  -2.739 -11.030
  446   3HG2  VAL  54          3HG2      VAL  54   3.417  -3.499  -9.990
  447    H    LEU  55           H        LEU  55   1.552  -1.169  -6.595
  448    HA   LEU  55           HA       LEU  55  -0.501  -2.466  -5.292
  449   1HB   LEU  55          1HB       LEU  55   1.565  -1.918  -4.166
  450   2HB   LEU  55          2HB       LEU  55   1.199  -0.204  -4.259
  451    HG   LEU  55           HG       LEU  55  -0.780  -0.589  -2.802
  452   1HD1  LEU  55          1HD1      LEU  55  -1.160  -2.931  -3.312
  453   2HD1  LEU  55          2HD1      LEU  55  -0.967  -2.682  -1.577
  454   3HD1  LEU  55          3HD1      LEU  55   0.358  -3.359  -2.522
  455   1HD2  LEU  55          1HD2      LEU  55   1.858  -1.477  -1.654
  456   2HD2  LEU  55          2HD2      LEU  55   0.475  -0.888  -0.732
  457   3HD2  LEU  55          3HD2      LEU  55   1.314   0.190  -1.847
  458    H    ILE  56           H        ILE  56  -0.182   1.098  -5.324
  459    HA   ILE  56           HA       ILE  56  -2.638   1.517  -4.073
  460    HB   ILE  56           HB       ILE  56  -1.090   3.435  -5.820
  461   1HG1  ILE  56          1HG1      ILE  56  -1.184   3.107  -2.814
  462   2HG1  ILE  56          2HG1      ILE  56   0.126   2.548  -3.848
  463   1HG2  ILE  56          1HG2      ILE  56  -2.344   5.197  -4.673
  464   2HG2  ILE  56          2HG2      ILE  56  -3.314   3.971  -3.856
  465   3HG2  ILE  56          3HG2      ILE  56  -3.404   4.146  -5.610
  466   1HD1  ILE  56          1HD1      ILE  56   0.603   4.844  -4.491
  467   2HD1  ILE  56          2HD1      ILE  56   0.682   4.638  -2.741
  468   3HD1  ILE  56          3HD1      ILE  56  -0.723   5.411  -3.477
  469    HA   PRO  57           HA       PRO  57  -4.586   2.507  -8.444
  470   1HB   PRO  57          1HB       PRO  57  -2.885   0.822 -10.191
  471   2HB   PRO  57          2HB       PRO  57  -3.578   2.419 -10.492
  472   1HG   PRO  57          1HG       PRO  57  -0.983   2.139 -10.000
  473   2HG   PRO  57          2HG       PRO  57  -1.893   3.514  -9.342
  474   1HD   PRO  57          1HD       PRO  57  -1.001   1.001  -7.977
  475   2HD   PRO  57          2HD       PRO  57  -0.991   2.671  -7.384
  476    H    ARG  58           H        ARG  58  -3.001  -0.688  -8.167
  477    HA   ARG  58           HA       ARG  58  -5.137  -2.165  -9.261
  478   1HB   ARG  58          1HB       ARG  58  -2.854  -3.068  -9.011
  479   2HB   ARG  58          2HB       ARG  58  -3.072  -3.099  -7.266
  480   1HG   ARG  58          1HG       ARG  58  -4.995  -4.651  -7.611
  481   2HG   ARG  58          2HG       ARG  58  -4.559  -4.718  -9.320
  482   1HD   ARG  58          1HD       ARG  58  -2.376  -5.613  -8.754
  483   2HD   ARG  58          2HD       ARG  58  -2.739  -5.470  -7.034
  484    HE   ARG  58           HE       ARG  58  -3.802  -7.453  -8.898
  485   1HH1  ARG  58          1HH1      ARG  58  -3.815  -6.075  -5.681
  486   2HH1  ARG  58          2HH1      ARG  58  -4.564  -7.457  -4.940
  487   1HH2  ARG  58          1HH2      ARG  58  -4.821  -9.265  -7.944
  488   2HH2  ARG  58          2HH2      ARG  58  -5.163  -9.263  -6.242
  489    H    MET  59           H        MET  59  -4.321  -1.303  -5.921
  490    HA   MET  59           HA       MET  59  -6.434  -2.817  -4.771
  491   1HB   MET  59          1HB       MET  59  -4.808  -0.537  -3.646
  492   2HB   MET  59          2HB       MET  59  -5.973  -1.466  -2.713
  493   1HG   MET  59          1HG       MET  59  -3.440  -2.470  -3.986
  494   2HG   MET  59          2HG       MET  59  -3.780  -2.303  -2.265
  495   1HE   MET  59          1HE       MET  59  -3.039  -4.793  -1.753
  496   2HE   MET  59          2HE       MET  59  -2.595  -4.954  -3.453
  497   3HE   MET  59          3HE       MET  59  -3.600  -6.184  -2.684
  498    H    HIS  60           H        HIS  60  -6.232   0.408  -6.093
  499    HA   HIS  60           HA       HIS  60  -8.610   1.460  -5.025
  500   1HB   HIS  60          1HB       HIS  60  -6.978   2.020  -7.445
  501   2HB   HIS  60          2HB       HIS  60  -8.633   2.616  -7.441
  502    HD1  HIS  60           HD1      HIS  60  -9.184   4.584  -5.936
  503    HD2  HIS  60           HD2      HIS  60  -5.274   3.226  -5.521
  504    HE1  HIS  60           HE1      HIS  60  -8.004   6.314  -4.537
  505    HE2  HIS  60           HE2      HIS  60  -5.588   5.602  -4.538
  506    H    ASP  61           H        ASP  61  -8.052  -0.510  -7.924
  507    HA   ASP  61           HA       ASP  61 -10.747  -0.737  -8.740
  508   1HB   ASP  61          1HB       ASP  61  -8.262  -2.337  -9.214
  509   2HB   ASP  61          2HB       ASP  61  -9.814  -3.016  -9.685
  510    H    LEU  62           H        LEU  62  -8.762  -2.720  -6.588
  511    HA   LEU  62           HA       LEU  62 -10.602  -4.763  -6.079
  512   1HB   LEU  62          1HB       LEU  62  -8.192  -4.770  -5.462
  513   2HB   LEU  62          2HB       LEU  62  -8.540  -3.614  -4.193
  514    HG   LEU  62           HG       LEU  62 -10.126  -5.379  -3.235
  515   1HD1  LEU  62          1HD1      LEU  62  -8.534  -7.128  -5.104
  516   2HD1  LEU  62          2HD1      LEU  62 -10.264  -6.794  -5.208
  517   3HD1  LEU  62          3HD1      LEU  62  -9.620  -7.691  -3.832
  518   1HD2  LEU  62          1HD2      LEU  62  -7.163  -5.937  -3.305
  519   2HD2  LEU  62          2HD2      LEU  62  -8.301  -6.529  -2.095
  520   3HD2  LEU  62          3HD2      LEU  62  -7.979  -4.800  -2.232
  521    H    LEU  63           H        LEU  63 -10.057  -1.699  -4.382
  522    HA   LEU  63           HA       LEU  63 -11.997  -2.240  -2.355
  523   1HB   LEU  63          1HB       LEU  63 -10.702   0.379  -3.088
  524   2HB   LEU  63          2HB       LEU  63 -11.536   0.012  -1.588
  525    HG   LEU  63           HG       LEU  63  -8.990  -1.317  -2.518
  526   1HD1  LEU  63          1HD1      LEU  63  -8.627   1.014  -1.953
  527   2HD1  LEU  63          2HD1      LEU  63  -7.929  -0.041  -0.724
  528   3HD1  LEU  63          3HD1      LEU  63  -9.456   0.785  -0.413
  529   1HD2  LEU  63          1HD2      LEU  63 -10.482  -1.499   0.096
  530   2HD2  LEU  63          2HD2      LEU  63  -8.922  -2.240  -0.257
  531   3HD2  LEU  63          3HD2      LEU  63 -10.364  -2.768  -1.122
  532    H    ASP  64           H        ASP  64 -11.973  -0.202  -5.273
  533    HA   ASP  64           HA       ASP  64 -14.500   0.983  -4.927
  534   1HB   ASP  64          1HB       ASP  64 -12.934   1.755  -6.645
  535   2HB   ASP  64          2HB       ASP  64 -13.070   0.217  -7.489
  536    H    ASN  65           H        ASN  65 -13.498  -2.050  -6.359
  537    HA   ASN  65           HA       ASN  65 -16.071  -2.846  -7.291
  538   1HB   ASN  65          1HB       ASN  65 -13.639  -3.636  -7.925
  539   2HB   ASN  65          2HB       ASN  65 -13.893  -4.791  -6.628
  540   1HD2  ASN  65          1HD2      ASN  65 -13.587  -5.032  -9.566
  541   2HD2  ASN  65          2HD2      ASN  65 -14.946  -5.978 -10.085
  542    H    LYS  66           H        LYS  66 -14.679  -2.648  -4.250
  543    HA   LYS  66           HA       LYS  66 -15.288  -3.270  -2.167
  544   1HB   LYS  66          1HB       LYS  66 -17.905  -4.068  -3.455
  545   2HB   LYS  66          2HB       LYS  66 -17.637  -3.731  -1.747
  546   1HG   LYS  66          1HG       LYS  66 -17.151  -1.420  -2.231
  547   2HG   LYS  66          2HG       LYS  66 -17.268  -1.726  -3.965
  548   1HD   LYS  66          1HD       LYS  66 -19.664  -2.527  -3.423
  549   2HD   LYS  66          2HD       LYS  66 -19.442  -1.652  -1.904
  550   1HE   LYS  66          1HE       LYS  66 -20.524  -0.240  -3.573
  551   2HE   LYS  66          2HE       LYS  66 -18.931   0.387  -3.150
  552   1HZ   LYS  66          1HZ       LYS  66 -18.028  -0.429  -5.172
  553   2HZ   LYS  66          2HZ       LYS  66 -19.471   0.360  -5.587
  554   3HZ   LYS  66          3HZ       LYS  66 -19.420  -1.331  -5.519
  555    H    GLN  67           H        GLN  67 -13.908  -5.069  -3.820
  556    HA   GLN  67           HA       GLN  67 -14.874  -7.735  -3.433
  557   1HB   GLN  67          1HB       GLN  67 -12.192  -6.592  -4.220
  558   2HB   GLN  67          2HB       GLN  67 -12.503  -8.318  -4.113
  559   1HG   GLN  67          1HG       GLN  67 -14.129  -6.497  -5.855
  560   2HG   GLN  67          2HG       GLN  67 -12.638  -7.261  -6.405
  561   1HE2  GLN  67          1HE2      GLN  67 -13.069  -9.688  -4.879
  562   2HE2  GLN  67          2HE2      GLN  67 -14.313 -10.560  -5.716
  563    HA   PRO  68           HA       PRO  68 -13.616  -8.344   0.806
  564   1HB   PRO  68          1HB       PRO  68 -13.004 -11.095  -0.143
  565   2HB   PRO  68          2HB       PRO  68 -14.020 -10.571   1.207
  566   1HG   PRO  68          1HG       PRO  68 -15.104 -11.487  -1.052
  567   2HG   PRO  68          2HG       PRO  68 -15.842 -10.144  -0.159
  568   1HD   PRO  68          1HD       PRO  68 -14.221 -10.095  -2.667
  569   2HD   PRO  68          2HD       PRO  68 -15.616  -9.099  -2.204
  570    H    LEU  69           H        LEU  69 -11.694  -8.052   1.782
  571    HA   LEU  69           HA       LEU  69  -9.393  -7.717   0.166
  572   1HB   LEU  69          1HB       LEU  69  -9.671  -7.735   3.172
  573   2HB   LEU  69          2HB       LEU  69  -8.244  -7.203   2.298
  574    HG   LEU  69           HG       LEU  69 -10.974  -5.911   2.263
  575   1HD1  LEU  69          1HD1      LEU  69  -9.801  -4.003   3.224
  576   2HD1  LEU  69          2HD1      LEU  69  -8.299  -4.927   3.236
  577   3HD1  LEU  69          3HD1      LEU  69  -9.652  -5.431   4.249
  578   1HD2  LEU  69          1HD2      LEU  69  -8.506  -5.151   0.711
  579   2HD2  LEU  69          2HD2      LEU  69 -10.018  -4.248   0.771
  580   3HD2  LEU  69          3HD2      LEU  69  -9.975  -5.849   0.033
  581    HA   PRO  70           HA       PRO  70  -7.443 -11.560  -0.108
  582   1HB   PRO  70          1HB       PRO  70  -4.834 -10.958   0.619
  583   2HB   PRO  70          2HB       PRO  70  -5.539 -10.695  -0.980
  584   1HG   PRO  70          1HG       PRO  70  -5.172  -8.759   1.270
  585   2HG   PRO  70          2HG       PRO  70  -4.934  -8.516  -0.471
  586   1HD   PRO  70          1HD       PRO  70  -7.123  -7.604   0.746
  587   2HD   PRO  70          2HD       PRO  70  -7.216  -8.316  -0.881
  588    H    GLY  71           H        GLY  71  -7.031  -9.888   2.949
  589   1HA   GLY  71          1HA       GLY  71  -7.284 -10.784   5.071
  590   2HA   GLY  71          2HA       GLY  71  -7.370 -12.386   4.353
  591    H    ALA  72           H        ALA  72  -4.696 -11.117   3.037
  592    HA   ALA  72           HA       ALA  72  -2.818 -11.392   5.156
  593   1HB   ALA  72          1HB       ALA  72  -1.723 -13.435   4.369
  594   2HB   ALA  72          2HB       ALA  72  -2.993 -13.656   3.165
  595   3HB   ALA  72          3HB       ALA  72  -3.379 -13.756   4.883
  596    H    PHE  73           H        PHE  73  -2.226  -9.407   4.288
  597    HA   PHE  73           HA       PHE  73  -0.533  -9.640   1.898
  598   1HB   PHE  73          1HB       PHE  73  -2.702  -8.536   1.319
  599   2HB   PHE  73          2HB       PHE  73  -2.325  -7.273   2.486
  600    HD1  PHE  73           HD1      PHE  73  -1.238  -8.826  -0.684
  601    HD2  PHE  73           HD2      PHE  73  -0.912  -5.476   1.918
  602    HE1  PHE  73           HE1      PHE  73  -0.032  -7.588  -2.435
  603    HE2  PHE  73           HE2      PHE  73   0.297  -4.234   0.175
  604    HZ   PHE  73           HZ       PHE  73   0.736  -5.288  -2.004
  605    H    ALA  74           H        ALA  74   1.244  -9.810   3.285
  606    HA   ALA  74           HA       ALA  74   1.854  -7.399   4.868
  607   1HB   ALA  74          1HB       ALA  74   1.678  -9.443   6.211
  608   2HB   ALA  74          2HB       ALA  74   3.317  -8.792   6.227
  609   3HB   ALA  74          3HB       ALA  74   2.933 -10.193   5.228
  610    H    VAL  75           H        VAL  75   2.994  -6.117   3.549
  611    HA   VAL  75           HA       VAL  75   5.222  -7.304   2.029
  612    HB   VAL  75           HB       VAL  75   5.237  -5.233   0.704
  613   1HG1  VAL  75          1HG1      VAL  75   2.516  -6.521   0.879
  614   2HG1  VAL  75          2HG1      VAL  75   3.890  -7.114  -0.054
  615   3HG1  VAL  75          3HG1      VAL  75   3.128  -5.582  -0.483
  616   1HG2  VAL  75          1HG2      VAL  75   4.410  -3.678   2.392
  617   2HG2  VAL  75          2HG2      VAL  75   2.827  -4.457   2.350
  618   3HG2  VAL  75          3HG2      VAL  75   3.426  -3.598   0.931
  619    H    ALA  76           H        ALA  76   4.513  -5.497   4.775
  620    HA   ALA  76           HA       ALA  76   6.499  -3.587   4.937
  621   1HB   ALA  76          1HB       ALA  76   4.669  -3.747   6.534
  622   2HB   ALA  76          2HB       ALA  76   6.229  -3.688   7.355
  623   3HB   ALA  76          3HB       ALA  76   5.371  -5.221   7.202
  624    HA   PRO  77           HA       PRO  77   9.418  -6.886   7.146
  625   1HB   PRO  77          1HB       PRO  77   9.047  -9.417   6.052
  626   2HB   PRO  77          2HB       PRO  77   8.512  -8.904   7.653
  627   1HG   PRO  77          1HG       PRO  77   6.972  -9.078   5.102
  628   2HG   PRO  77          2HG       PRO  77   6.460  -9.471   6.755
  629   1HD   PRO  77          1HD       PRO  77   5.689  -7.205   5.578
  630   2HD   PRO  77          2HD       PRO  77   6.105  -7.241   7.304
  631    H    TYR  78           H        TYR  78   8.282  -7.315   3.835
  632    HA   TYR  78           HA       TYR  78  10.831  -8.073   2.797
  633   1HB   TYR  78          1HB       TYR  78   8.739  -8.721   1.680
  634   2HB   TYR  78          2HB       TYR  78   8.383  -7.029   1.357
  635    HD1  TYR  78           HD1      TYR  78  10.630  -9.831   0.525
  636    HD2  TYR  78           HD2      TYR  78   9.405  -5.881  -0.474
  637    HE1  TYR  78           HE1      TYR  78  11.860  -9.992  -1.596
  638    HE2  TYR  78           HE2      TYR  78  10.633  -6.030  -2.597
  639    HH   TYR  78           HH       TYR  78  12.628  -7.365  -3.493
  640    H    TYR  79           H        TYR  79   8.942  -5.067   2.789
  641    HA   TYR  79           HA       TYR  79  10.844  -3.573   1.328
  642   1HB   TYR  79          1HB       TYR  79   8.483  -2.855   3.018
  643   2HB   TYR  79          2HB       TYR  79   9.576  -1.592   2.458
  644    HD1  TYR  79           HD1      TYR  79   7.214  -4.211   1.370
  645    HD2  TYR  79           HD2      TYR  79   9.601  -0.903   0.181
  646    HE1  TYR  79           HE1      TYR  79   6.067  -4.171  -0.801
  647    HE2  TYR  79           HE2      TYR  79   8.462  -0.855  -1.994
  648    HH   TYR  79           HH       TYR  79   7.209  -2.350  -3.441
  649    H    GLU  80           H        GLU  80  10.535  -4.326   4.715
  650    HA   GLU  80           HA       GLU  80  12.265  -2.419   5.796
  651   1HB   GLU  80          1HB       GLU  80  10.904  -3.998   7.128
  652   2HB   GLU  80          2HB       GLU  80  11.950  -5.315   6.613
  653   1HG   GLU  80          1HG       GLU  80  13.853  -4.136   7.696
  654   2HG   GLU  80          2HG       GLU  80  12.703  -2.959   8.326
  655    H    MET  81           H        MET  81  12.905  -5.405   4.073
  656    HA   MET  81           HA       MET  81  15.778  -5.169   4.479
  657   1HB   MET  81          1HB       MET  81  14.201  -7.179   2.863
  658   2HB   MET  81          2HB       MET  81  15.921  -7.266   3.219
  659   1HG   MET  81          1HG       MET  81  15.421  -7.498   5.594
  660   2HG   MET  81          2HG       MET  81  13.695  -7.395   5.242
  661   1HE   MET  81          1HE       MET  81  13.787  -9.019   2.391
  662   2HE   MET  81          2HE       MET  81  12.478  -9.155   3.565
  663   3HE   MET  81          3HE       MET  81  13.273 -10.609   2.954
  664    H    ALA  82           H        ALA  82  13.365  -4.716   1.975
  665    HA   ALA  82           HA       ALA  82  15.205  -4.507  -0.186
  666   1HB   ALA  82          1HB       ALA  82  13.291  -3.734  -1.489
  667   2HB   ALA  82          2HB       ALA  82  12.352  -3.539  -0.008
  668   3HB   ALA  82          3HB       ALA  82  12.866  -5.146  -0.521
  669    H    LEU  83           H        LEU  83  13.707  -2.196   1.996
  670    HA   LEU  83           HA       LEU  83  14.840   0.083   0.585
  671   1HB   LEU  83          1HB       LEU  83  12.576   0.161   1.621
  672   2HB   LEU  83          2HB       LEU  83  13.315  -0.048   3.194
  673    HG   LEU  83           HG       LEU  83  14.537   2.112   2.821
  674   1HD1  LEU  83          1HD1      LEU  83  12.650   2.348   0.487
  675   2HD1  LEU  83          2HD1      LEU  83  14.401   2.161   0.387
  676   3HD1  LEU  83          3HD1      LEU  83  13.707   3.618   1.101
  677   1HD2  LEU  83          1HD2      LEU  83  12.552   1.999   4.208
  678   2HD2  LEU  83          2HD2      LEU  83  11.525   2.192   2.787
  679   3HD2  LEU  83          3HD2      LEU  83  12.582   3.509   3.296
  680    H    ALA  84           H        ALA  84  15.968  -2.195   2.618
  681    HA   ALA  84           HA       ALA  84  17.841  -2.466   3.861
  682   1HB   ALA  84          1HB       ALA  84  19.540  -0.751   4.013
  683   2HB   ALA  84          2HB       ALA  84  18.423   0.447   3.360
  684   3HB   ALA  84          3HB       ALA  84  18.970  -0.892   2.349
  685    H    THR  85           H        THR  85  18.042  -2.614   5.988
  686    HA   THR  85           HA       THR  85  16.130  -1.424   7.684
  687    HB   THR  85           HB       THR  85  17.705  -2.422   9.492
  688    HG1  THR  85           HG1      THR  85  18.714  -3.984   7.384
  689   1HG2  THR  85          1HG2      THR  85  15.621  -3.473   8.816
  690   2HG2  THR  85          2HG2      THR  85  16.877  -4.698   9.003
  691   3HG2  THR  85          3HG2      THR  85  16.404  -4.157   7.392
  692    H    ASP  86           H        ASP  86  19.378  -0.579   6.798
  693    HA   ASP  86           HA       ASP  86  19.945   1.185   8.952
  694   1HB   ASP  86          1HB       ASP  86  21.742   0.245   7.646
  695   2HB   ASP  86          2HB       ASP  86  21.103   0.957   6.169
  696    H    HIS  87           H        HIS  87  18.022   1.489   6.139
  697    HA   HIS  87           HA       HIS  87  18.339   4.164   5.433
  698   1HB   HIS  87          1HB       HIS  87  17.056   2.415   4.161
  699   2HB   HIS  87          2HB       HIS  87  15.750   2.609   5.322
  700    HD1  HIS  87           HD1      HIS  87  17.218   4.076   2.283
  701    HD2  HIS  87           HD2      HIS  87  14.403   5.149   5.151
  702    HE1  HIS  87           HE1      HIS  87  15.951   6.016   1.298
  703    HE2  HIS  87           HE2      HIS  87  14.257   6.660   3.051
  704    HA   PRO  88           HA       PRO  88  16.651   6.056   9.130
  705   1HB   PRO  88          1HB       PRO  88  17.088   8.617   8.341
  706   2HB   PRO  88          2HB       PRO  88  18.363   7.579   8.990
  707   1HG   PRO  88          1HG       PRO  88  17.731   8.252   6.145
  708   2HG   PRO  88          2HG       PRO  88  19.309   8.130   6.947
  709   1HD   PRO  88          1HD       PRO  88  18.295   6.158   5.382
  710   2HD   PRO  88          2HD       PRO  88  19.366   5.840   6.763
  711    H    GLN  89           H        GLN  89  14.674   6.797   9.624
  712    HA   GLN  89           HA       GLN  89  12.510   7.431   9.444
  713   1HB   GLN  89          1HB       GLN  89  13.628   9.406   8.212
  714   2HB   GLN  89          2HB       GLN  89  13.074   8.625   6.737
  715   1HG   GLN  89          1HG       GLN  89  10.766   8.730   7.566
  716   2HG   GLN  89          2HG       GLN  89  11.338   9.556   9.012
  717   1HE2  GLN  89          1HE2      GLN  89  10.152  11.394   8.639
  718   2HE2  GLN  89          2HE2      GLN  89  10.519  12.500   7.361
  719    H    ARG  90           H        ARG  90  13.347   4.888   8.596
  720    HA   ARG  90           HA       ARG  90  11.789   4.184   6.253
  721   1HB   ARG  90          1HB       ARG  90  12.532   1.916   6.655
  722   2HB   ARG  90          2HB       ARG  90  13.912   2.989   6.850
  723   1HG   ARG  90          1HG       ARG  90  13.800   2.835   9.222
  724   2HG   ARG  90          2HG       ARG  90  12.259   1.984   9.150
  725   1HD   ARG  90          1HD       ARG  90  13.849   0.365   7.640
  726   2HD   ARG  90          2HD       ARG  90  14.994   0.971   8.842
  727    HE   ARG  90           HE       ARG  90  12.412  -0.137   9.714
  728   1HH1  ARG  90          1HH1      ARG  90  15.921  -0.262   9.775
  729   2HH1  ARG  90          2HH1      ARG  90  15.964  -1.540  10.946
  730   1HH2  ARG  90          1HH2      ARG  90  12.479  -1.780  11.243
  731   2HH2  ARG  90          2HH2      ARG  90  14.003  -2.429  11.769
  732    H    ALA  91           H        ALA  91  11.395   4.492   9.633
  733    HA   ALA  91           HA       ALA  91   9.552   2.520  10.263
  734   1HB   ALA  91          1HB       ALA  91  10.713   3.886  11.924
  735   2HB   ALA  91          2HB       ALA  91   8.970   3.878  12.190
  736   3HB   ALA  91          3HB       ALA  91   9.742   5.282  11.454
  737    H    LEU  92           H        LEU  92   8.916   5.854   9.172
  738    HA   LEU  92           HA       LEU  92   6.137   5.798   9.359
  739   1HB   LEU  92          1HB       LEU  92   7.865   7.243   7.351
  740   2HB   LEU  92          2HB       LEU  92   6.159   7.555   7.599
  741    HG   LEU  92           HG       LEU  92   8.356   7.981   9.624
  742   1HD1  LEU  92          1HD1      LEU  92   7.826  10.344   9.349
  743   2HD1  LEU  92          2HD1      LEU  92   6.638   9.937   8.111
  744   3HD1  LEU  92          3HD1      LEU  92   8.350   9.624   7.827
  745   1HD2  LEU  92          1HD2      LEU  92   5.401   8.557   9.837
  746   2HD2  LEU  92          2HD2      LEU  92   6.631   8.964  11.034
  747   3HD2  LEU  92          3HD2      LEU  92   6.262   7.274  10.687
  748    H    ILE  93           H        ILE  93   8.241   4.720   6.756
  749    HA   ILE  93           HA       ILE  93   6.163   4.224   4.885
  750    HB   ILE  93           HB       ILE  93   8.948   3.051   4.969
  751   1HG1  ILE  93          1HG1      ILE  93   7.889   5.536   3.602
  752   2HG1  ILE  93          2HG1      ILE  93   8.963   5.505   4.993
  753   1HG2  ILE  93          1HG2      ILE  93   8.650   2.717   2.561
  754   2HG2  ILE  93          2HG2      ILE  93   6.998   3.324   2.681
  755   3HG2  ILE  93          3HG2      ILE  93   7.445   1.821   3.487
  756   1HD1  ILE  93          1HD1      ILE  93  10.159   5.997   2.932
  757   2HD1  ILE  93          2HD1      ILE  93   9.624   4.460   2.253
  758   3HD1  ILE  93          3HD1      ILE  93  10.702   4.479   3.647
  759    H    LEU  94           H        LEU  94   8.043   2.130   7.050
  760    HA   LEU  94           HA       LEU  94   6.731  -0.256   6.245
  761   1HB   LEU  94          1HB       LEU  94   8.315   0.338   8.743
  762   2HB   LEU  94          2HB       LEU  94   7.817  -1.261   8.222
  763    HG   LEU  94           HG       LEU  94   9.709   0.571   6.749
  764   1HD1  LEU  94          1HD1      LEU  94  10.692  -0.415   8.740
  765   2HD1  LEU  94          2HD1      LEU  94  11.380  -1.122   7.278
  766   3HD1  LEU  94          3HD1      LEU  94  10.181  -2.018   8.211
  767   1HD2  LEU  94          1HD2      LEU  94   8.353  -0.767   5.215
  768   2HD2  LEU  94          2HD2      LEU  94   8.817  -2.231   6.083
  769   3HD2  LEU  94          3HD2      LEU  94  10.036  -1.292   5.218
  770    H    ALA  95           H        ALA  95   6.191   2.061   8.845
  771    HA   ALA  95           HA       ALA  95   4.326   0.603  10.347
  772   1HB   ALA  95          1HB       ALA  95   5.352   2.674  11.145
  773   2HB   ALA  95          2HB       ALA  95   3.590   2.748  11.236
  774   3HB   ALA  95          3HB       ALA  95   4.443   3.587   9.939
  775    H    GLU  96           H        GLU  96   3.864   2.826   7.626
  776    HA   GLU  96           HA       GLU  96   1.050   2.576   7.580
  777   1HB   GLU  96          1HB       GLU  96   3.058   3.505   5.541
  778   2HB   GLU  96          2HB       GLU  96   1.335   3.437   5.185
  779   1HG   GLU  96          1HG       GLU  96   2.732   5.111   7.246
  780   2HG   GLU  96          2HG       GLU  96   1.803   5.649   5.847
  781    H    LEU  97           H        LEU  97   3.637   0.708   6.128
  782    HA   LEU  97           HA       LEU  97   1.978  -0.866   4.449
  783   1HB   LEU  97          1HB       LEU  97   4.661  -1.493   5.683
  784   2HB   LEU  97          2HB       LEU  97   3.879  -2.467   4.452
  785    HG   LEU  97           HG       LEU  97   4.786   0.392   4.102
  786   1HD1  LEU  97          1HD1      LEU  97   6.647  -1.176   4.273
  787   2HD1  LEU  97          2HD1      LEU  97   6.480  -0.554   2.630
  788   3HD1  LEU  97          3HD1      LEU  97   5.922  -2.181   3.020
  789   1HD2  LEU  97          1HD2      LEU  97   2.827  -0.106   2.755
  790   2HD2  LEU  97          2HD2      LEU  97   3.601  -1.564   2.136
  791   3HD2  LEU  97          3HD2      LEU  97   4.260   0.022   1.735
  792    H    GLU  98           H        GLU  98   3.072  -1.192   7.795
  793    HA   GLU  98           HA       GLU  98   1.851  -3.720   8.261
  794   1HB   GLU  98          1HB       GLU  98   2.554  -1.537  10.234
  795   2HB   GLU  98          2HB       GLU  98   2.155  -3.197  10.649
  796   1HG   GLU  98          1HG       GLU  98   4.131  -3.976   9.450
  797   2HG   GLU  98          2HG       GLU  98   4.532  -2.310   9.028
  798    H    LYS  99           H        LYS  99   0.802  -0.389   8.548
  799    HA   LYS  99           HA       LYS  99  -1.683  -0.862   9.795
  800   1HB   LYS  99          1HB       LYS  99  -0.630   1.367   9.626
  801   2HB   LYS  99          2HB       LYS  99  -0.898   1.354   7.889
  802   1HG   LYS  99          1HG       LYS  99  -3.308   1.310   8.252
  803   2HG   LYS  99          2HG       LYS  99  -3.049   1.301   9.997
  804   1HD   LYS  99          1HD       LYS  99  -1.990   3.487   8.217
  805   2HD   LYS  99          2HD       LYS  99  -3.610   3.541   8.907
  806   1HE   LYS  99          1HE       LYS  99  -2.278   4.788  10.382
  807   2HE   LYS  99          2HE       LYS  99  -2.491   3.229  11.170
  808   1HZ   LYS  99          1HZ       LYS  99  -0.288   2.585  10.457
  809   2HZ   LYS  99          2HZ       LYS  99  -0.211   4.044  11.312
  810   3HZ   LYS  99          3HZ       LYS  99  -0.089   4.050   9.619
  811    H    LEU 100           H        LEU 100  -0.761  -0.537   6.384
  812    HA   LEU 100           HA       LEU 100  -3.288  -1.033   5.261
  813   1HB   LEU 100          1HB       LEU 100  -1.285  -0.142   4.063
  814   2HB   LEU 100          2HB       LEU 100  -0.583  -1.747   4.119
  815    HG   LEU 100           HG       LEU 100  -2.493  -2.584   2.769
  816   1HD1  LEU 100          1HD1      LEU 100  -3.192   0.344   2.586
  817   2HD1  LEU 100          2HD1      LEU 100  -4.150  -0.917   3.366
  818   3HD1  LEU 100          3HD1      LEU 100  -3.912  -0.945   1.619
  819   1HD2  LEU 100          1HD2      LEU 100  -0.400  -2.010   1.695
  820   2HD2  LEU 100          2HD2      LEU 100  -0.897  -0.323   1.575
  821   3HD2  LEU 100          3HD2      LEU 100  -1.753  -1.561   0.657
  822    H    ASP 101           H        ASP 101  -0.646  -3.191   6.155
  823    HA   ASP 101           HA       ASP 101  -1.692  -5.639   5.350
  824   1HB   ASP 101          1HB       ASP 101   0.529  -5.661   6.104
  825   2HB   ASP 101          2HB       ASP 101   0.132  -4.808   7.591
  826    H    ALA 102           H        ALA 102  -2.126  -3.900   8.404
  827    HA   ALA 102           HA       ALA 102  -3.723  -5.779   9.714
  828   1HB   ALA 102          1HB       ALA 102  -2.693  -3.888  10.854
  829   2HB   ALA 102          2HB       ALA 102  -4.434  -3.932  11.143
  830   3HB   ALA 102          3HB       ALA 102  -3.759  -2.778   9.993
  831    H    LEU 103           H        LEU 103  -4.564  -3.166   7.507
  832    HA   LEU 103           HA       LEU 103  -7.360  -3.332   7.775
  833   1HB   LEU 103          1HB       LEU 103  -5.750  -2.492   5.362
  834   2HB   LEU 103          2HB       LEU 103  -7.445  -2.145   5.637
  835    HG   LEU 103           HG       LEU 103  -5.161  -1.101   7.313
  836   1HD1  LEU 103          1HD1      LEU 103  -5.714   1.059   6.304
  837   2HD1  LEU 103          2HD1      LEU 103  -6.910   0.270   5.275
  838   3HD1  LEU 103          3HD1      LEU 103  -5.198  -0.114   5.091
  839   1HD2  LEU 103          1HD2      LEU 103  -7.209  -1.400   8.603
  840   2HD2  LEU 103          2HD2      LEU 103  -8.112  -0.491   7.393
  841   3HD2  LEU 103          3HD2      LEU 103  -6.866   0.311   8.348
  842    H    PHE 104           H        PHE 104  -5.140  -4.822   5.423
  843    HA   PHE 104           HA       PHE 104  -7.149  -6.160   3.964
  844   1HB   PHE 104          1HB       PHE 104  -4.181  -6.590   4.198
  845   2HB   PHE 104          2HB       PHE 104  -5.190  -7.624   3.195
  846    HD1  PHE 104           HD2      PHE 104  -6.990  -5.961   1.831
  847    HD2  PHE 104           HD1      PHE 104  -2.973  -5.115   2.939
  848    HE1  PHE 104           HE2      PHE 104  -6.832  -4.336  -0.007
  849    HE2  PHE 104           HE1      PHE 104  -2.807  -3.487   1.103
  850    HZ   PHE 104           HZ       PHE 104  -4.735  -3.099  -0.375
  851    H    ALA 105           H        ALA 105  -5.361  -7.051   6.842
  852    HA   ALA 105           HA       ALA 105  -6.264  -9.794   6.755
  853   1HB   ALA 105          1HB       ALA 105  -5.110 -10.035   8.883
  854   2HB   ALA 105          2HB       ALA 105  -4.880  -8.289   8.972
  855   3HB   ALA 105          3HB       ALA 105  -4.078  -9.221   7.707
  856    H    ASP 106           H        ASP 106  -7.444  -6.812   7.935
  857    HA   ASP 106           HA       ASP 106  -9.002  -7.855  10.101
  858   1HB   ASP 106          1HB       ASP 106  -8.196  -5.522  10.060
  859   2HB   ASP 106          2HB       ASP 106  -9.230  -5.198   8.671
  860    H    ASP 107           H        ASP 107  -9.691  -6.863   6.770
  861    HA   ASP 107           HA       ASP 107 -12.477  -7.579   7.000
  862   1HB   ASP 107          1HB       ASP 107 -11.761  -5.777   5.467
  863   2HB   ASP 107          2HB       ASP 107 -10.848  -6.949   4.525
  864    H    ALA 108           H        ALA 108 -12.932  -9.649   7.270
  865    HA   ALA 108           HA       ALA 108 -11.233 -11.719   6.208
  866   1HB   ALA 108          1HB       ALA 108 -12.696 -13.254   7.399
  867   2HB   ALA 108          2HB       ALA 108 -13.828 -11.944   7.731
  868   3HB   ALA 108          3HB       ALA 108 -12.215 -11.919   8.445
  869    H    SER 109           H        SER 109 -11.671 -13.115   4.581
  870    HA   SER 109           HA       SER 109 -13.588 -12.341   2.610
  871   1HB   SER 109          1HB       SER 109 -12.728 -14.496   1.502
  872   2HB   SER 109          2HB       SER 109 -11.548 -13.213   1.790
  873    HG   SER 109           HG       SER 109 -11.614 -15.743   2.766
  874    H    LEU 110           H        LEU 110 -13.654 -14.356   5.337
  875    HA   LEU 110           HA       LEU 110 -15.870 -15.976   4.347
  876   1HB   LEU 110          1HB       LEU 110 -14.503 -16.015   7.043
  877   2HB   LEU 110          2HB       LEU 110 -15.691 -17.171   6.474
  878    HG   LEU 110           HG       LEU 110 -12.941 -16.777   5.287
  879   1HD1  LEU 110          1HD1      LEU 110 -14.028 -18.986   7.024
  880   2HD1  LEU 110          2HD1      LEU 110 -12.854 -17.765   7.515
  881   3HD1  LEU 110          3HD1      LEU 110 -12.433 -18.946   6.274
  882   1HD2  LEU 110          1HD2      LEU 110 -15.079 -18.821   4.698
  883   2HD2  LEU 110          2HD2      LEU 110 -13.442 -18.826   4.042
  884   3HD2  LEU 110          3HD2      LEU 110 -14.554 -17.522   3.628
  885    H    GLU 111           H        GLU 111 -17.813 -15.043   4.420
  886    HA   GLU 111           HA       GLU 111 -18.442 -13.058   6.429
  887   1HB   GLU 111          1HB       GLU 111 -20.534 -12.753   5.282
  888   2HB   GLU 111          2HB       GLU 111 -19.262 -12.848   4.078
  889   1HG   GLU 111          1HG       GLU 111 -21.165 -15.068   4.805
  890   2HG   GLU 111          2HG       GLU 111 -21.281 -14.030   3.387
  891    H    HIS 112           H        HIS 112 -19.395 -16.342   5.595
  892    HA   HIS 112           HA       HIS 112 -20.954 -16.623   8.029
  893   1HB   HIS 112          1HB       HIS 112 -20.255 -18.567   5.821
  894   2HB   HIS 112          2HB       HIS 112 -21.196 -19.006   7.241
  895    HD1  HIS 112           HD1      HIS 112 -21.604 -17.950   3.857
  896    HD2  HIS 112           HD2      HIS 112 -23.636 -17.269   7.422
  897    HE1  HIS 112           HE1      HIS 112 -23.903 -17.168   3.193
  898    HE2  HIS 112           HE2      HIS 112 -25.082 -16.661   5.364
  899    H    HIS 113           H        HIS 113 -20.328 -17.670   9.819
  900    HA   HIS 113           HA       HIS 113 -17.710 -19.013   9.805
  901   1HB   HIS 113          1HB       HIS 113 -18.819 -17.132  11.901
  902   2HB   HIS 113          2HB       HIS 113 -17.442 -18.191  12.182
  903    HD1  HIS 113           HD1      HIS 113 -18.006 -14.815  11.527
  904    HD2  HIS 113           HD2      HIS 113 -15.493 -17.652   9.807
  905    HE1  HIS 113           HE1      HIS 113 -16.188 -13.512  10.379
  906    HE2  HIS 113           HE2      HIS 113 -14.605 -15.250   9.472
  907    H    HIS 114           H        HIS 114 -17.684 -20.182  12.225
  908    HA   HIS 114           HA       HIS 114 -19.877 -22.065  11.930
  909   1HB   HIS 114          1HB       HIS 114 -17.302 -22.132  13.483
  910   2HB   HIS 114          2HB       HIS 114 -18.563 -23.336  13.733
  911    HD1  HIS 114           HD1      HIS 114 -15.566 -22.948  11.917
  912    HD2  HIS 114           HD2      HIS 114 -19.336 -24.445  10.984
  913    HE1  HIS 114           HE1      HIS 114 -15.250 -24.362   9.857
  914    HE2  HIS 114           HE2      HIS 114 -17.568 -25.139   9.229
  915    H    HIS 115           H        HIS 115 -18.706 -19.697  14.214
  916    HA   HIS 115           HA       HIS 115 -20.791 -20.371  16.127
  917   1HB   HIS 115          1HB       HIS 115 -18.523 -19.638  16.867
  918   2HB   HIS 115          2HB       HIS 115 -18.842 -18.055  16.164
  919    HD1  HIS 115           HD1      HIS 115 -20.063 -20.330  18.927
  920    HD2  HIS 115           HD2      HIS 115 -20.263 -16.336  17.769
  921    HE1  HIS 115           HE1      HIS 115 -21.168 -19.119  20.841
  922    HE2  HIS 115           HE2      HIS 115 -21.395 -16.729  20.063
  923    H    HIS 116           H        HIS 116 -20.340 -18.339  13.434
  924    HA   HIS 116           HA       HIS 116 -22.951 -17.098  13.919
  925   1HB   HIS 116          1HB       HIS 116 -21.431 -15.329  14.465
  926   2HB   HIS 116          2HB       HIS 116 -20.426 -15.671  13.063
  927    HD1  HIS 116           HD1      HIS 116 -23.764 -14.150  13.985
  928    HD2  HIS 116           HD2      HIS 116 -21.173 -14.389  10.735
  929    HE1  HIS 116           HE1      HIS 116 -24.658 -12.531  12.273
  930    HE2  HIS 116           HE2      HIS 116 -23.151 -12.788  10.268
  931    H    HIS 117           H        HIS 117 -24.111 -18.157  12.424
  932    HA   HIS 117           HA       HIS 117 -23.010 -18.547   9.751
  933   1HB   HIS 117          1HB       HIS 117 -25.699 -19.361  10.889
  934   2HB   HIS 117          2HB       HIS 117 -25.061 -19.832   9.318
  935    HD1  HIS 117           HD1      HIS 117 -24.740 -20.531  12.971
  936    HD2  HIS 117           HD2      HIS 117 -23.139 -21.885   9.376
  937    HE1  HIS 117           HE1      HIS 117 -23.544 -22.676  13.527
  938    HE2  HIS 117           HE2      HIS 117 -22.635 -23.515  11.330
  Start of MODEL   19
    1   1H    MET   1          1H        MET   1 -16.617   5.404   4.481
    2   2H    MET   1          2H        MET   1 -16.056   3.941   3.836
    3   3H    MET   1          3H        MET   1 -15.588   4.414   5.396
    4    HA   MET   1           HA       MET   1 -17.845   4.211   6.178
    5   1HB   MET   1          1HB       MET   1 -18.387   3.226   3.366
    6   2HB   MET   1          2HB       MET   1 -19.540   3.194   4.694
    7   1HG   MET   1          1HG       MET   1 -19.590   5.591   4.777
    8   2HG   MET   1          2HG       MET   1 -18.303   5.700   3.579
    9   1HE   MET   1          1HE       MET   1 -18.595   5.032   1.024
   10   2HE   MET   1          2HE       MET   1 -20.075   4.338   0.363
   11   3HE   MET   1          3HE       MET   1 -19.117   3.424   1.530
   12    H    THR   2           H        THR   2 -16.672   1.961   3.696
   13    HA   THR   2           HA       THR   2 -16.737  -0.223   5.645
   14    HB   THR   2           HB       THR   2 -16.297  -1.669   3.664
   15    HG1  THR   2           HG1      THR   2 -16.389   0.850   2.309
   16   1HG2  THR   2          1HG2      THR   2 -18.656   0.198   3.370
   17   2HG2  THR   2          2HG2      THR   2 -18.600  -1.252   4.372
   18   3HG2  THR   2          3HG2      THR   2 -18.502  -1.389   2.615
   19    H    THR   3           H        THR   3 -14.833  -1.854   5.216
   20    HA   THR   3           HA       THR   3 -12.399  -0.634   5.932
   21    HB   THR   3           HB       THR   3 -12.775  -3.369   4.695
   22    HG1  THR   3           HG1      THR   3 -12.619  -3.687   7.250
   23   1HG2  THR   3          1HG2      THR   3 -10.445  -2.645   4.831
   24   2HG2  THR   3          2HG2      THR   3 -10.762  -3.937   5.988
   25   3HG2  THR   3          3HG2      THR   3 -10.650  -2.266   6.541
   26    H    HIS   4           H        HIS   4 -13.786  -1.608   2.875
   27    HA   HIS   4           HA       HIS   4 -11.464  -1.459   1.291
   28   1HB   HIS   4          1HB       HIS   4 -14.334  -0.978   0.459
   29   2HB   HIS   4          2HB       HIS   4 -12.992  -1.332  -0.624
   30    HD1  HIS   4           HD1      HIS   4 -15.774  -2.987   0.457
   31    HD2  HIS   4           HD2      HIS   4 -11.739  -3.971   0.692
   32    HE1  HIS   4           HE1      HIS   4 -15.694  -5.486   0.749
   33    HE2  HIS   4           HE2      HIS   4 -13.269  -5.996   1.191
   34    H    ASP   5           H        ASP   5 -13.776   0.977   2.336
   35    HA   ASP   5           HA       ASP   5 -12.798   3.118   0.759
   36   1HB   ASP   5          1HB       ASP   5 -14.149   3.162   3.471
   37   2HB   ASP   5          2HB       ASP   5 -13.829   4.589   2.496
   38    H    ARG   6           H        ARG   6 -12.024   1.943   3.987
   39    HA   ARG   6           HA       ARG   6 -10.238   4.013   4.671
   40   1HB   ARG   6          1HB       ARG   6 -10.543   1.205   5.744
   41   2HB   ARG   6          2HB       ARG   6  -9.505   2.429   6.471
   42   1HG   ARG   6          1HG       ARG   6 -11.390   3.838   6.937
   43   2HG   ARG   6          2HG       ARG   6 -12.467   2.761   6.050
   44   1HD   ARG   6          1HD       ARG   6 -12.091   1.004   7.693
   45   2HD   ARG   6          2HD       ARG   6 -10.958   2.042   8.563
   46    HE   ARG   6           HE       ARG   6 -12.896   3.560   8.931
   47   1HH1  ARG   6          1HH1      ARG   6 -13.387   0.131   8.409
   48   2HH1  ARG   6          2HH1      ARG   6 -14.971   0.120   9.131
   49   1HH2  ARG   6          1HH2      ARG   6 -14.959   3.557   9.887
   50   2HH2  ARG   6          2HH2      ARG   6 -15.877   2.079   9.951
   51    H    VAL   7           H        VAL   7  -9.752   0.854   3.154
   52    HA   VAL   7           HA       VAL   7  -6.928   0.983   3.075
   53    HB   VAL   7           HB       VAL   7  -8.756  -0.427   1.115
   54   1HG1  VAL   7          1HG1      VAL   7  -6.811  -1.871   0.693
   55   2HG1  VAL   7          2HG1      VAL   7  -5.839  -0.857   1.758
   56   3HG1  VAL   7          3HG1      VAL   7  -6.492  -0.192   0.262
   57   1HG2  VAL   7          1HG2      VAL   7  -8.356  -2.428   2.494
   58   2HG2  VAL   7          2HG2      VAL   7  -9.209  -1.167   3.381
   59   3HG2  VAL   7          3HG2      VAL   7  -7.490  -1.433   3.664
   60    H    ARG   8           H        ARG   8  -9.448   2.168   0.894
   61    HA   ARG   8           HA       ARG   8  -7.769   3.008  -1.208
   62   1HB   ARG   8          1HB       ARG   8 -10.257   2.827  -1.355
   63   2HB   ARG   8          2HB       ARG   8 -10.386   4.261  -0.345
   64   1HG   ARG   8          1HG       ARG   8  -9.139   5.531  -2.064
   65   2HG   ARG   8          2HG       ARG   8  -9.155   4.094  -3.086
   66   1HD   ARG   8          1HD       ARG   8 -10.935   5.528  -3.789
   67   2HD   ARG   8          2HD       ARG   8 -11.643   4.129  -2.986
   68    HE   ARG   8           HE       ARG   8 -12.159   5.511  -1.112
   69   1HH1  ARG   8          1HH1      ARG   8 -10.928   7.257  -3.892
   70   2HH1  ARG   8          2HH1      ARG   8 -11.583   8.785  -3.375
   71   1HH2  ARG   8          1HH2      ARG   8 -13.013   7.501  -0.439
   72   2HH2  ARG   8          2HH2      ARG   8 -12.756   8.933  -1.399
   73    H    LEU   9           H        LEU   9  -8.947   4.675   1.683
   74    HA   LEU   9           HA       LEU   9  -7.675   7.153   1.184
   75   1HB   LEU   9          1HB       LEU   9  -8.396   5.879   3.827
   76   2HB   LEU   9          2HB       LEU   9  -7.997   7.570   3.587
   77    HG   LEU   9           HG       LEU   9 -10.389   6.164   2.393
   78   1HD1  LEU   9          1HD1      LEU   9 -10.586   6.398   4.808
   79   2HD1  LEU   9          2HD1      LEU   9 -11.692   7.491   3.974
   80   3HD1  LEU   9          3HD1      LEU   9 -10.202   8.115   4.682
   81   1HD2  LEU   9          1HD2      LEU   9  -9.585   9.070   2.383
   82   2HD2  LEU   9          2HD2      LEU   9 -11.112   8.426   1.783
   83   3HD2  LEU   9          3HD2      LEU   9  -9.600   7.987   0.991
   84    H    GLN  10           H        GLN  10  -6.684   4.249   2.927
   85    HA   GLN  10           HA       GLN  10  -4.198   5.074   3.869
   86   1HB   GLN  10          1HB       GLN  10  -5.164   2.983   4.570
   87   2HB   GLN  10          2HB       GLN  10  -5.155   2.369   2.925
   88   1HG   GLN  10          1HG       GLN  10  -3.393   1.326   4.135
   89   2HG   GLN  10          2HG       GLN  10  -2.681   2.435   2.965
   90   1HE2  GLN  10          1HE2      GLN  10  -1.666   4.299   3.697
   91   2HE2  GLN  10          2HE2      GLN  10  -1.190   4.501   5.355
   92    H    LEU  11           H        LEU  11  -5.119   3.754   0.721
   93    HA   LEU  11           HA       LEU  11  -2.577   3.555  -0.415
   94   1HB   LEU  11          1HB       LEU  11  -5.203   4.216  -1.748
   95   2HB   LEU  11          2HB       LEU  11  -3.743   3.750  -2.596
   96    HG   LEU  11           HG       LEU  11  -5.252   2.001  -0.649
   97   1HD1  LEU  11          1HD1      LEU  11  -6.495   2.374  -2.717
   98   2HD1  LEU  11          2HD1      LEU  11  -5.894   0.718  -2.621
   99   3HD1  LEU  11          3HD1      LEU  11  -5.083   1.891  -3.659
  100   1HD2  LEU  11          1HD2      LEU  11  -3.772   0.227  -1.498
  101   2HD2  LEU  11          2HD2      LEU  11  -2.884   1.494  -0.655
  102   3HD2  LEU  11          3HD2      LEU  11  -2.875   1.435  -2.416
  103    H    GLN  12           H        GLN  12  -4.873   6.270  -0.446
  104    HA   GLN  12           HA       GLN  12  -3.220   8.015  -1.931
  105   1HB   GLN  12          1HB       GLN  12  -5.485   8.558  -0.014
  106   2HB   GLN  12          2HB       GLN  12  -4.689   9.816  -0.948
  107   1HG   GLN  12          1HG       GLN  12  -5.343   8.663  -3.018
  108   2HG   GLN  12          2HG       GLN  12  -6.195   7.458  -2.054
  109   1HE2  GLN  12          1HE2      GLN  12  -7.141   9.375  -4.074
  110   2HE2  GLN  12          2HE2      GLN  12  -8.393  10.291  -3.303
  111    H    ALA  13           H        ALA  13  -3.520   7.364   1.513
  112    HA   ALA  13           HA       ALA  13  -1.865   9.451   2.439
  113   1HB   ALA  13          1HB       ALA  13  -3.337   8.142   3.906
  114   2HB   ALA  13          2HB       ALA  13  -1.673   8.163   4.491
  115   3HB   ALA  13          3HB       ALA  13  -2.304   6.733   3.670
  116    H    LEU  14           H        LEU  14  -1.161   6.088   1.569
  117    HA   LEU  14           HA       LEU  14   1.625   6.206   2.030
  118   1HB   LEU  14          1HB       LEU  14   0.377   4.101   1.816
  119   2HB   LEU  14          2HB       LEU  14   0.046   4.461   0.132
  120    HG   LEU  14           HG       LEU  14   2.470   4.331  -0.349
  121   1HD1  LEU  14          1HD1      LEU  14   3.992   3.413   1.315
  122   2HD1  LEU  14          2HD1      LEU  14   2.697   3.411   2.513
  123   3HD1  LEU  14          3HD1      LEU  14   3.301   4.939   1.872
  124   1HD2  LEU  14          1HD2      LEU  14   2.654   1.909  -0.158
  125   2HD2  LEU  14          2HD2      LEU  14   1.027   2.378  -0.651
  126   3HD2  LEU  14          3HD2      LEU  14   1.336   1.891   1.015
  127    H    GLU  15           H        GLU  15  -0.375   6.788  -0.821
  128    HA   GLU  15           HA       GLU  15   1.608   7.285  -2.711
  129   1HB   GLU  15          1HB       GLU  15  -0.829   7.106  -3.175
  130   2HB   GLU  15          2HB       GLU  15  -1.063   8.681  -2.433
  131   1HG   GLU  15          1HG       GLU  15   0.519   9.595  -4.168
  132   2HG   GLU  15          2HG       GLU  15   0.391   8.030  -4.974
  133    H    ALA  16           H        ALA  16  -0.011   9.534  -0.488
  134    HA   ALA  16           HA       ALA  16   1.426  11.839  -1.212
  135   1HB   ALA  16          1HB       ALA  16  -0.654  11.896   0.090
  136   2HB   ALA  16          2HB       ALA  16   0.643  12.778   0.896
  137   3HB   ALA  16          3HB       ALA  16   0.188  11.169   1.457
  138    H    LEU  17           H        LEU  17   2.012   9.355   1.222
  139    HA   LEU  17           HA       LEU  17   4.244  10.504   2.464
  140   1HB   LEU  17          1HB       LEU  17   2.927   8.570   3.311
  141   2HB   LEU  17          2HB       LEU  17   3.639   7.570   2.063
  142    HG   LEU  17           HG       LEU  17   5.436   8.957   4.017
  143   1HD1  LEU  17          1HD1      LEU  17   3.729   7.899   5.397
  144   2HD1  LEU  17          2HD1      LEU  17   5.256   7.025   5.511
  145   3HD1  LEU  17          3HD1      LEU  17   3.945   6.386   4.520
  146   1HD2  LEU  17          1HD2      LEU  17   5.556   6.329   2.539
  147   2HD2  LEU  17          2HD2      LEU  17   6.791   6.936   3.642
  148   3HD2  LEU  17          3HD2      LEU  17   6.449   7.796   2.139
  149    H    LEU  18           H        LEU  18   4.061   8.210  -0.255
  150    HA   LEU  18           HA       LEU  18   6.854   8.073  -0.686
  151   1HB   LEU  18          1HB       LEU  18   4.567   7.615  -2.605
  152   2HB   LEU  18          2HB       LEU  18   6.237   7.178  -2.917
  153    HG   LEU  18           HG       LEU  18   4.543   6.047  -0.687
  154   1HD1  LEU  18          1HD1      LEU  18   5.397   4.806  -3.293
  155   2HD1  LEU  18          2HD1      LEU  18   3.767   5.345  -2.894
  156   3HD1  LEU  18          3HD1      LEU  18   4.497   4.010  -2.004
  157   1HD2  LEU  18          1HD2      LEU  18   7.297   5.306  -1.669
  158   2HD2  LEU  18          2HD2      LEU  18   6.373   4.433  -0.448
  159   3HD2  LEU  18          3HD2      LEU  18   6.911   6.082  -0.133
  160    H    ARG  19           H        ARG  19   4.354  10.228  -1.852
  161    HA   ARG  19           HA       ARG  19   5.934  11.610  -3.747
  162   1HB   ARG  19          1HB       ARG  19   3.426  11.656  -3.598
  163   2HB   ARG  19          2HB       ARG  19   3.583  12.693  -2.189
  164   1HG   ARG  19          1HG       ARG  19   4.595  14.425  -3.498
  165   2HG   ARG  19          2HG       ARG  19   4.670  13.370  -4.911
  166   1HD   ARG  19          1HD       ARG  19   2.223  13.262  -4.952
  167   2HD   ARG  19          2HD       ARG  19   2.158  14.328  -3.549
  168    HE   ARG  19           HE       ARG  19   3.608  15.740  -5.360
  169   1HH1  ARG  19          1HH1      ARG  19   0.501  14.136  -5.546
  170   2HH1  ARG  19          2HH1      ARG  19  -0.176  15.293  -6.656
  171   1HH2  ARG  19          1HH2      ARG  19   2.732  17.270  -6.810
  172   2HH2  ARG  19          2HH2      ARG  19   1.092  17.081  -7.369
  173    H    GLU  20           H        GLU  20   5.421  11.996  -0.277
  174    HA   GLU  20           HA       GLU  20   6.728  14.433   0.134
  175   1HB   GLU  20          1HB       GLU  20   6.726  11.987   1.911
  176   2HB   GLU  20          2HB       GLU  20   7.274  13.579   2.406
  177   1HG   GLU  20          1HG       GLU  20   5.006  14.447   2.009
  178   2HG   GLU  20          2HG       GLU  20   4.481  12.809   1.610
  179    H    HIS  21           H        HIS  21   8.001  11.167  -0.177
  180    HA   HIS  21           HA       HIS  21  10.719  12.109   0.271
  181   1HB   HIS  21          1HB       HIS  21   9.697   9.309  -0.257
  182   2HB   HIS  21          2HB       HIS  21  11.350   9.728   0.178
  183    HD1  HIS  21           HD1      HIS  21  11.772  10.462   2.666
  184    HD2  HIS  21           HD2      HIS  21   7.877   9.271   1.837
  185    HE1  HIS  21           HE1      HIS  21  10.653  10.181   4.901
  186    HE2  HIS  21           HE2      HIS  21   8.232   9.734   4.351
  187    H    GLN  22           H        GLN  22   8.820  12.437  -2.186
  188    HA   GLN  22           HA       GLN  22   9.088  12.902  -4.371
  189   1HB   GLN  22          1HB       GLN  22  11.996  13.013  -3.572
  190   2HB   GLN  22          2HB       GLN  22  11.334  13.654  -5.072
  191   1HG   GLN  22          1HG       GLN  22   9.901  15.166  -3.774
  192   2HG   GLN  22          2HG       GLN  22  10.628  14.553  -2.289
  193   1HE2  GLN  22          1HE2      GLN  22  10.578  17.246  -3.364
  194   2HE2  GLN  22          2HE2      GLN  22  12.233  17.728  -3.539
  195    H    HIS  23           H        HIS  23   9.058  10.076  -3.677
  196    HA   HIS  23           HA       HIS  23  10.725   8.917  -5.780
  197   1HB   HIS  23          1HB       HIS  23   9.119   7.808  -3.536
  198   2HB   HIS  23          2HB       HIS  23   9.277   6.810  -4.978
  199    HD1  HIS  23           HD1      HIS  23  11.482   5.636  -5.363
  200    HD2  HIS  23           HD2      HIS  23  11.610   8.366  -2.218
  201    HE1  HIS  23           HE1      HIS  23  13.659   5.211  -4.175
  202    HE2  HIS  23           HE2      HIS  23  13.830   7.051  -2.466
  203    H    TRP  24           H        TRP  24   7.691  10.278  -5.399
  204    HA   TRP  24           HA       TRP  24   6.153   8.710  -7.172
  205   1HB   TRP  24          1HB       TRP  24   5.205  10.304  -5.511
  206   2HB   TRP  24          2HB       TRP  24   5.814  11.638  -6.484
  207    HD1  TRP  24           HD1      TRP  24   4.168  12.583  -8.213
  208    HE1  TRP  24           HE1      TRP  24   1.956  11.790  -9.275
  209    HE3  TRP  24           HE3      TRP  24   3.964   7.872  -6.234
  210    HZ2  TRP  24           HZ2      TRP  24   0.348   9.468  -9.275
  211    HZ3  TRP  24           HZ3      TRP  24   2.059   6.430  -6.815
  212    HH2  TRP  24           HH2      TRP  24   0.288   7.212  -8.303
  213    H    ARG  25           H        ARG  25   6.240   8.559  -9.290
  214    HA   ARG  25           HA       ARG  25   7.598  10.676 -10.834
  215   1HB   ARG  25          1HB       ARG  25   7.500   7.696 -11.351
  216   2HB   ARG  25          2HB       ARG  25   8.147   8.873 -12.478
  217   1HG   ARG  25          1HG       ARG  25   9.933   9.418 -10.968
  218   2HG   ARG  25          2HG       ARG  25   9.231   8.386  -9.715
  219   1HD   ARG  25          1HD       ARG  25   9.539   6.431 -11.130
  220   2HD   ARG  25          2HD       ARG  25  10.185   7.447 -12.417
  221    HE   ARG  25           HE       ARG  25  12.187   7.636 -11.257
  222   1HH1  ARG  25          1HH1      ARG  25   9.804   5.942  -9.342
  223   2HH1  ARG  25          2HH1      ARG  25  10.967   5.270  -8.234
  224   1HH2  ARG  25          1HH2      ARG  25  13.736   6.703  -9.850
  225   2HH2  ARG  25          2HH2      ARG  25  13.207   5.680  -8.550
  226    H    ASN  26           H        ASN  26   6.481  11.513 -12.542
  227    HA   ASN  26           HA       ASN  26   3.838  10.504 -13.130
  228   1HB   ASN  26          1HB       ASN  26   4.406  12.945 -13.278
  229   2HB   ASN  26          2HB       ASN  26   5.442  12.576 -14.652
  230   1HD2  ASN  26          1HD2      ASN  26   4.509  11.979 -16.612
  231   2HD2  ASN  26          2HD2      ASN  26   2.831  12.229 -16.949
  232    H    ASP  27           H        ASP  27   4.271   8.391 -13.751
  233    HA   ASP  27           HA       ASP  27   6.055   7.956 -16.041
  234   1HB   ASP  27          1HB       ASP  27   6.020   6.637 -13.723
  235   2HB   ASP  27          2HB       ASP  27   4.774   5.707 -14.542
  236    H    GLU  28           H        GLU  28   5.029   5.640 -17.081
  237    HA   GLU  28           HA       GLU  28   2.253   6.265 -17.816
  238   1HB   GLU  28          1HB       GLU  28   2.752   5.665 -20.166
  239   2HB   GLU  28          2HB       GLU  28   3.604   7.108 -19.642
  240   1HG   GLU  28          1HG       GLU  28   5.639   5.790 -19.336
  241   2HG   GLU  28          2HG       GLU  28   4.779   4.347 -19.870
  242    HA   PRO  29           HA       PRO  29   1.761   2.001 -16.765
  243   1HB   PRO  29          1HB       PRO  29  -0.694   1.586 -17.871
  244   2HB   PRO  29          2HB       PRO  29  -0.447   2.453 -16.352
  245   1HG   PRO  29          1HG       PRO  29  -0.939   3.533 -19.092
  246   2HG   PRO  29          2HG       PRO  29  -1.562   4.099 -17.532
  247   1HD   PRO  29          1HD       PRO  29   0.508   5.298 -18.838
  248   2HD   PRO  29          2HD       PRO  29   0.335   5.308 -17.071
  249    H    GLN  30           H        GLN  30   3.340   1.025 -18.002
  250    HA   GLN  30           HA       GLN  30   2.810   0.486 -20.822
  251   1HB   GLN  30          1HB       GLN  30   5.209  -0.193 -19.110
  252   2HB   GLN  30          2HB       GLN  30   5.097  -0.412 -20.850
  253   1HG   GLN  30          1HG       GLN  30   4.973   1.960 -21.197
  254   2HG   GLN  30          2HG       GLN  30   4.895   2.247 -19.459
  255   1HE2  GLN  30          1HE2      GLN  30   6.968  -0.167 -20.880
  256   2HE2  GLN  30          2HE2      GLN  30   8.460   0.633 -20.535
  257    HA   PRO  31           HA       PRO  31   1.286  -3.617 -20.101
  258   1HB   PRO  31          1HB       PRO  31   2.204  -4.791 -22.410
  259   2HB   PRO  31          2HB       PRO  31   0.736  -3.816 -22.303
  260   1HG   PRO  31          1HG       PRO  31   3.463  -3.037 -23.248
  261   2HG   PRO  31          2HG       PRO  31   1.878  -2.601 -23.913
  262   1HD   PRO  31          1HD       PRO  31   3.296  -0.895 -22.389
  263   2HD   PRO  31          2HD       PRO  31   1.523  -0.956 -22.324
  264    H    HIS  32           H        HIS  32   4.624  -2.927 -20.837
  265    HA   HIS  32           HA       HIS  32   5.480  -5.545 -19.887
  266   1HB   HIS  32          1HB       HIS  32   6.522  -4.304 -21.889
  267   2HB   HIS  32          2HB       HIS  32   7.325  -3.305 -20.683
  268    HD1  HIS  32           HD1      HIS  32   7.171  -6.847 -21.950
  269    HD2  HIS  32           HD2      HIS  32   9.528  -4.482 -19.462
  270    HE1  HIS  32           HE1      HIS  32   9.209  -8.232 -21.418
  271    HE2  HIS  32           HE2      HIS  32  10.591  -6.809 -19.865
  272    H    GLN  33           H        GLN  33   4.306  -3.130 -18.297
  273    HA   GLN  33           HA       GLN  33   6.279  -3.314 -16.120
  274   1HB   GLN  33          1HB       GLN  33   3.869  -1.508 -16.429
  275   2HB   GLN  33          2HB       GLN  33   4.903  -1.556 -15.010
  276   1HG   GLN  33          1HG       GLN  33   6.777  -0.753 -16.301
  277   2HG   GLN  33          2HG       GLN  33   5.815  -0.814 -17.779
  278   1HE2  GLN  33          1HE2      GLN  33   7.156   1.466 -16.569
  279   2HE2  GLN  33          2HE2      GLN  33   5.929   2.651 -16.289
  280    H    PHE  34           H        PHE  34   3.003  -4.038 -17.098
  281    HA   PHE  34           HA       PHE  34   2.372  -5.083 -14.443
  282   1HB   PHE  34          1HB       PHE  34   0.574  -4.470 -16.792
  283   2HB   PHE  34          2HB       PHE  34   0.025  -5.081 -15.234
  284    HD1  PHE  34           HD2      PHE  34   0.241  -3.663 -13.214
  285    HD2  PHE  34           HD1      PHE  34   1.071  -2.179 -17.118
  286    HE1  PHE  34           HE2      PHE  34   0.065  -1.360 -12.369
  287    HE2  PHE  34           HE1      PHE  34   0.897   0.130 -16.277
  288    HZ   PHE  34           HZ       PHE  34   0.392   0.540 -13.901
  289    H    ASN  35           H        ASN  35   3.754  -6.326 -17.068
  290    HA   ASN  35           HA       ASN  35   2.152  -8.725 -17.332
  291   1HB   ASN  35          1HB       ASN  35   3.755  -9.441 -18.972
  292   2HB   ASN  35          2HB       ASN  35   3.448  -7.731 -19.248
  293   1HD2  ASN  35          1HD2      ASN  35   5.783 -10.100 -18.627
  294   2HD2  ASN  35          2HD2      ASN  35   7.149  -9.044 -18.438
  295    H    SER  36           H        SER  36   4.593  -7.580 -15.286
  296    HA   SER  36           HA       SER  36   5.644 -10.105 -14.469
  297   1HB   SER  36          1HB       SER  36   6.898  -8.045 -14.033
  298   2HB   SER  36          2HB       SER  36   5.580  -7.432 -13.038
  299    HG   SER  36           HG       SER  36   7.131  -9.766 -12.500
  300    H    THR  37           H        THR  37   4.385 -11.603 -13.596
  301    HA   THR  37           HA       THR  37   2.023 -10.773 -12.087
  302    HB   THR  37           HB       THR  37   1.590 -12.346 -13.886
  303    HG1  THR  37           HG1      THR  37   1.258 -13.162 -11.217
  304   1HG2  THR  37          1HG2      THR  37   2.514 -14.618 -13.865
  305   2HG2  THR  37          2HG2      THR  37   3.515 -14.197 -12.474
  306   3HG2  THR  37          3HG2      THR  37   3.782 -13.403 -14.026
  307    H    GLN  38           H        GLN  38   4.924 -10.853 -11.206
  308    HA   GLN  38           HA       GLN  38   4.917 -12.723  -9.007
  309   1HB   GLN  38          1HB       GLN  38   6.952 -11.677 -10.324
  310   2HB   GLN  38          2HB       GLN  38   6.755 -10.352  -9.184
  311   1HG   GLN  38          1HG       GLN  38   7.100 -11.850  -7.325
  312   2HG   GLN  38          2HG       GLN  38   7.193 -13.229  -8.418
  313   1HE2  GLN  38          1HE2      GLN  38   8.732 -11.660 -10.404
  314   2HE2  GLN  38          2HE2      GLN  38  10.334 -11.579  -9.749
  315    HA   PRO  39           HA       PRO  39   2.376 -10.509  -6.244
  316   1HB   PRO  39          1HB       PRO  39   4.444 -10.987  -4.151
  317   2HB   PRO  39          2HB       PRO  39   2.716 -11.357  -4.133
  318   1HG   PRO  39          1HG       PRO  39   4.470 -13.297  -4.503
  319   2HG   PRO  39          2HG       PRO  39   2.980 -13.253  -5.468
  320   1HD   PRO  39          1HD       PRO  39   5.766 -12.465  -6.237
  321   2HD   PRO  39          2HD       PRO  39   4.543 -13.341  -7.184
  322    H    PHE  40           H        PHE  40   5.757  -9.570  -6.306
  323    HA   PHE  40           HA       PHE  40   4.968  -6.883  -5.392
  324   1HB   PHE  40          1HB       PHE  40   7.696  -8.181  -5.198
  325   2HB   PHE  40          2HB       PHE  40   7.277  -6.569  -4.630
  326    HD1  PHE  40           HD1      PHE  40   6.914 -10.164  -4.014
  327    HD2  PHE  40           HD2      PHE  40   6.076  -6.247  -2.579
  328    HE1  PHE  40           HE1      PHE  40   6.329 -11.101  -1.821
  329    HE2  PHE  40           HE2      PHE  40   5.486  -7.179  -0.379
  330    HZ   PHE  40           HZ       PHE  40   5.620  -9.609  -0.001
  331    H    PHE  41           H        PHE  41   5.247  -8.355  -8.127
  332    HA   PHE  41           HA       PHE  41   5.978  -7.944 -10.249
  333   1HB   PHE  41          1HB       PHE  41   5.594  -5.172  -9.136
  334   2HB   PHE  41          2HB       PHE  41   6.044  -5.439 -10.816
  335    HD1  PHE  41           HD2      PHE  41   3.619  -7.163  -8.546
  336    HD2  PHE  41           HD1      PHE  41   4.240  -5.011 -12.166
  337    HE1  PHE  41           HE2      PHE  41   1.254  -7.481  -9.136
  338    HE2  PHE  41           HE1      PHE  41   1.874  -5.328 -12.756
  339    HZ   PHE  41           HZ       PHE  41   0.379  -6.564 -11.246
  340    H    MET  42           H        MET  42   8.052  -8.609  -8.522
  341    HA   MET  42           HA       MET  42  10.171  -6.691  -8.673
  342   1HB   MET  42          1HB       MET  42  10.118  -9.550  -7.698
  343   2HB   MET  42          2HB       MET  42  11.526  -8.499  -7.591
  344   1HG   MET  42          1HG       MET  42  10.204  -6.927  -6.233
  345   2HG   MET  42          2HG       MET  42   8.852  -8.058  -6.291
  346   1HE   MET  42          1HE       MET  42   8.565 -10.084  -4.751
  347   2HE   MET  42          2HE       MET  42   9.916 -10.964  -4.039
  348   3HE   MET  42          3HE       MET  42   9.759 -10.858  -5.793
  349    H    ASP  43           H        ASP  43   8.932  -8.370 -11.072
  350    HA   ASP  43           HA       ASP  43  11.432  -9.168 -12.334
  351   1HB   ASP  43          1HB       ASP  43   8.611  -9.047 -13.429
  352   2HB   ASP  43          2HB       ASP  43  10.006  -9.637 -14.321
  353    H    THR  44           H        THR  44   8.979  -6.667 -12.540
  354    HA   THR  44           HA       THR  44  10.478  -5.316 -14.659
  355    HB   THR  44           HB       THR  44   8.318  -3.997 -14.895
  356    HG1  THR  44           HG1      THR  44   6.508  -4.821 -13.859
  357   1HG2  THR  44          1HG2      THR  44   8.185  -6.988 -15.298
  358   2HG2  THR  44          2HG2      THR  44   8.932  -5.835 -16.403
  359   3HG2  THR  44          3HG2      THR  44   7.191  -5.788 -16.123
  360    H    MET  45           H        MET  45   9.337  -4.947 -11.377
  361    HA   MET  45           HA       MET  45  10.562  -2.274 -11.320
  362   1HB   MET  45          1HB       MET  45   8.078  -3.171  -9.854
  363   2HB   MET  45          2HB       MET  45   8.880  -1.623  -9.619
  364   1HG   MET  45          1HG       MET  45   8.480  -1.117 -12.014
  365   2HG   MET  45          2HG       MET  45   7.557  -2.611 -12.134
  366   1HE   MET  45          1HE       MET  45   7.689  -0.061  -9.119
  367   2HE   MET  45          2HE       MET  45   6.332   0.992  -9.523
  368   3HE   MET  45          3HE       MET  45   7.765   0.962 -10.553
  369    H    GLU  46           H        GLU  46  11.010  -1.582  -9.003
  370    HA   GLU  46           HA       GLU  46  12.617  -3.688  -7.799
  371   1HB   GLU  46          1HB       GLU  46  12.514  -0.702  -7.329
  372   2HB   GLU  46          2HB       GLU  46  13.616  -1.801  -6.510
  373   1HG   GLU  46          1HG       GLU  46  14.679  -2.366  -8.592
  374   2HG   GLU  46          2HG       GLU  46  13.504  -1.408  -9.492
  375    HA   PRO  47           HA       PRO  47   9.871  -4.414  -4.431
  376   1HB   PRO  47          1HB       PRO  47  12.192  -4.958  -2.727
  377   2HB   PRO  47          2HB       PRO  47  10.939  -6.061  -3.299
  378   1HG   PRO  47          1HG       PRO  47  13.471  -6.171  -4.217
  379   2HG   PRO  47          2HG       PRO  47  12.074  -6.562  -5.237
  380   1HD   PRO  47          1HD       PRO  47  13.704  -4.049  -5.134
  381   2HD   PRO  47          2HD       PRO  47  13.060  -4.919  -6.543
  382    H    LEU  48           H        LEU  48   9.550  -2.020  -4.428
  383    HA   LEU  48           HA       LEU  48   9.388  -1.052  -1.830
  384   1HB   LEU  48          1HB       LEU  48  11.740  -0.633  -1.797
  385   2HB   LEU  48          2HB       LEU  48  11.708   0.057  -3.408
  386    HG   LEU  48           HG       LEU  48  10.449   1.992  -2.551
  387   1HD1  LEU  48          1HD1      LEU  48  10.816   0.690   0.138
  388   2HD1  LEU  48          2HD1      LEU  48   9.290   0.968  -0.696
  389   3HD1  LEU  48          3HD1      LEU  48  10.249   2.336  -0.126
  390   1HD2  LEU  48          1HD2      LEU  48  12.283   2.998  -1.266
  391   2HD2  LEU  48          2HD2      LEU  48  12.856   2.130  -2.688
  392   3HD2  LEU  48          3HD2      LEU  48  13.016   1.405  -1.089
  393    H    GLU  49           H        GLU  49  10.027   0.096  -5.113
  394    HA   GLU  49           HA       GLU  49   8.112   2.237  -4.785
  395   1HB   GLU  49          1HB       GLU  49   9.734   1.471  -7.215
  396   2HB   GLU  49          2HB       GLU  49   8.893   2.997  -6.948
  397   1HG   GLU  49          1HG       GLU  49  10.344   3.409  -4.992
  398   2HG   GLU  49          2HG       GLU  49  11.228   1.934  -5.377
  399    H    TRP  50           H        TRP  50   7.809  -0.920  -5.395
  400    HA   TRP  50           HA       TRP  50   5.869  -1.020  -7.448
  401   1HB   TRP  50          1HB       TRP  50   6.888  -3.069  -6.817
  402   2HB   TRP  50          2HB       TRP  50   6.538  -2.811  -5.112
  403    HD1  TRP  50           HD1      TRP  50   4.640  -3.594  -8.398
  404    HE1  TRP  50           HE1      TRP  50   2.550  -4.965  -7.792
  405    HE3  TRP  50           HE3      TRP  50   5.049  -3.497  -3.308
  406    HZ2  TRP  50           HZ2      TRP  50   1.242  -5.877  -5.465
  407    HZ3  TRP  50           HZ3      TRP  50   3.336  -4.637  -1.963
  408    HH2  TRP  50           HH2      TRP  50   1.469  -5.799  -3.021
  409    H    LEU  51           H        LEU  51   5.814  -0.114  -4.116
  410    HA   LEU  51           HA       LEU  51   3.137  -0.395  -3.440
  411   1HB   LEU  51          1HB       LEU  51   5.054   1.805  -2.660
  412   2HB   LEU  51          2HB       LEU  51   3.534   1.466  -1.853
  413    HG   LEU  51           HG       LEU  51   5.890  -0.418  -1.991
  414   1HD1  LEU  51          1HD1      LEU  51   4.852   1.245   0.299
  415   2HD1  LEU  51          2HD1      LEU  51   6.339   1.542  -0.601
  416   3HD1  LEU  51          3HD1      LEU  51   6.175   0.082   0.373
  417   1HD2  LEU  51          1HD2      LEU  51   4.652  -1.734  -0.350
  418   2HD2  LEU  51          2HD2      LEU  51   3.748  -1.585  -1.858
  419   3HD2  LEU  51          3HD2      LEU  51   3.299  -0.609  -0.459
  420    H    GLN  52           H        GLN  52   4.775   2.206  -5.159
  421    HA   GLN  52           HA       GLN  52   2.237   3.584  -5.581
  422   1HB   GLN  52          1HB       GLN  52   3.636   5.382  -6.546
  423   2HB   GLN  52          2HB       GLN  52   4.089   4.989  -4.894
  424   1HG   GLN  52          1HG       GLN  52   5.981   3.709  -5.679
  425   2HG   GLN  52          2HG       GLN  52   5.506   3.990  -7.352
  426   1HE2  GLN  52          1HE2      GLN  52   7.434   4.962  -7.848
  427   2HE2  GLN  52          2HE2      GLN  52   7.857   6.548  -7.295
  428    H    TRP  53           H        TRP  53   1.549   4.158  -7.665
  429    HA   TRP  53           HA       TRP  53   1.210   4.047  -9.890
  430   1HB   TRP  53          1HB       TRP  53   3.710   4.361 -10.023
  431   2HB   TRP  53          2HB       TRP  53   3.844   2.612 -10.191
  432    HD1  TRP  53           HD1      TRP  53   3.844   1.774 -12.623
  433    HE1  TRP  53           HE1      TRP  53   3.064   2.711 -14.891
  434    HE3  TRP  53           HE3      TRP  53   1.706   6.133 -11.007
  435    HZ2  TRP  53           HZ2      TRP  53   1.706   4.993 -15.856
  436    HZ3  TRP  53           HZ3      TRP  53   0.684   7.633 -12.668
  437    HH2  TRP  53           HH2      TRP  53   0.688   7.073 -15.042
  438    H    VAL  54           H        VAL  54   2.434   1.005  -8.493
  439    HA   VAL  54           HA       VAL  54   0.524  -0.395 -10.233
  440    HB   VAL  54           HB       VAL  54   2.764  -1.560  -8.574
  441   1HG1  VAL  54          1HG1      VAL  54   0.827  -2.892 -10.475
  442   2HG1  VAL  54          2HG1      VAL  54   0.860  -3.085  -8.722
  443   3HG1  VAL  54          3HG1      VAL  54   2.206  -3.672  -9.698
  444   1HG2  VAL  54          1HG2      VAL  54   3.785  -2.070 -10.730
  445   2HG2  VAL  54          2HG2      VAL  54   3.532  -0.334 -10.554
  446   3HG2  VAL  54          3HG2      VAL  54   2.444  -1.287 -11.564
  447    H    LEU  55           H        LEU  55   1.676  -0.841  -6.855
  448    HA   LEU  55           HA       LEU  55  -0.459  -2.447  -6.097
  449   1HB   LEU  55          1HB       LEU  55   1.555  -2.303  -4.765
  450   2HB   LEU  55          2HB       LEU  55   1.221  -0.622  -4.387
  451    HG   LEU  55           HG       LEU  55  -0.799  -1.318  -3.144
  452   1HD1  LEU  55          1HD1      LEU  55   0.181  -4.112  -3.684
  453   2HD1  LEU  55          2HD1      LEU  55  -1.275  -3.375  -4.353
  454   3HD1  LEU  55          3HD1      LEU  55  -1.152  -3.665  -2.619
  455   1HD2  LEU  55          1HD2      LEU  55   1.739  -2.680  -2.265
  456   2HD2  LEU  55          2HD2      LEU  55   0.363  -2.291  -1.233
  457   3HD2  LEU  55          3HD2      LEU  55   1.307  -0.995  -1.968
  458    H    ILE  56           H        ILE  56  -0.108   1.060  -5.527
  459    HA   ILE  56           HA       ILE  56  -2.514   1.392  -4.187
  460    HB   ILE  56           HB       ILE  56  -0.924   3.362  -5.814
  461   1HG1  ILE  56          1HG1      ILE  56  -1.301   3.079  -2.834
  462   2HG1  ILE  56          2HG1      ILE  56   0.053   2.395  -3.728
  463   1HG2  ILE  56          1HG2      ILE  56  -3.312   3.919  -4.064
  464   2HG2  ILE  56          2HG2      ILE  56  -3.233   4.119  -5.815
  465   3HG2  ILE  56          3HG2      ILE  56  -2.247   5.137  -4.765
  466   1HD1  ILE  56          1HD1      ILE  56   0.758   4.624  -4.388
  467   2HD1  ILE  56          2HD1      ILE  56   0.648   4.486  -2.633
  468   3HD1  ILE  56          3HD1      ILE  56  -0.618   5.322  -3.533
  469    HA   PRO  57           HA       PRO  57  -4.796   2.515  -8.366
  470   1HB   PRO  57          1HB       PRO  57  -2.984   1.181 -10.311
  471   2HB   PRO  57          2HB       PRO  57  -3.920   2.671 -10.481
  472   1HG   PRO  57          1HG       PRO  57  -1.305   2.792 -10.124
  473   2HG   PRO  57          2HG       PRO  57  -2.376   3.934  -9.288
  474   1HD   PRO  57          1HD       PRO  57  -1.025   1.475  -8.222
  475   2HD   PRO  57          2HD       PRO  57  -1.217   3.071  -7.478
  476    H    ARG  58           H        ARG  58  -2.851  -0.478  -8.358
  477    HA   ARG  58           HA       ARG  58  -4.796  -2.139  -9.506
  478   1HB   ARG  58          1HB       ARG  58  -2.465  -2.816  -9.312
  479   2HB   ARG  58          2HB       ARG  58  -2.596  -2.842  -7.560
  480   1HG   ARG  58          1HG       ARG  58  -4.087  -4.702  -7.631
  481   2HG   ARG  58          2HG       ARG  58  -4.211  -4.599  -9.388
  482   1HD   ARG  58          1HD       ARG  58  -1.925  -5.245  -9.652
  483   2HD   ARG  58          2HD       ARG  58  -1.638  -5.132  -7.915
  484    HE   ARG  58           HE       ARG  58  -3.380  -6.998  -7.785
  485   1HH1  ARG  58          1HH1      ARG  58  -1.218  -6.596 -10.510
  486   2HH1  ARG  58          2HH1      ARG  58  -1.158  -8.292 -10.882
  487   1HH2  ARG  58          1HH2      ARG  58  -3.323  -9.229  -8.275
  488   2HH2  ARG  58          2HH2      ARG  58  -2.371  -9.786  -9.623
  489    H    MET  59           H        MET  59  -4.169  -1.287  -6.124
  490    HA   MET  59           HA       MET  59  -6.257  -2.954  -5.112
  491   1HB   MET  59          1HB       MET  59  -4.665  -0.708  -3.892
  492   2HB   MET  59          2HB       MET  59  -5.958  -1.522  -3.020
  493   1HG   MET  59          1HG       MET  59  -3.487  -2.824  -4.141
  494   2HG   MET  59          2HG       MET  59  -3.781  -2.438  -2.447
  495   1HE   MET  59          1HE       MET  59  -3.992  -6.400  -2.704
  496   2HE   MET  59          2HE       MET  59  -3.121  -5.047  -1.979
  497   3HE   MET  59          3HE       MET  59  -2.987  -5.356  -3.711
  498    H    HIS  60           H        HIS  60  -6.085   0.351  -6.275
  499    HA   HIS  60           HA       HIS  60  -8.561   1.295  -5.370
  500   1HB   HIS  60          1HB       HIS  60  -6.875   1.883  -7.763
  501   2HB   HIS  60          2HB       HIS  60  -8.534   2.460  -7.764
  502    HD1  HIS  60           HD1      HIS  60  -9.095   4.450  -6.287
  503    HD2  HIS  60           HD2      HIS  60  -5.179   3.129  -5.866
  504    HE1  HIS  60           HE1      HIS  60  -7.902   6.260  -5.009
  505    HE2  HIS  60           HE2      HIS  60  -5.483   5.560  -5.025
  506    H    ASP  61           H        ASP  61  -7.728  -0.721  -8.126
  507    HA   ASP  61           HA       ASP  61 -10.367  -0.966  -9.163
  508   1HB   ASP  61          1HB       ASP  61  -8.393  -1.379 -10.539
  509   2HB   ASP  61          2HB       ASP  61  -7.920  -2.718  -9.502
  510    H    LEU  62           H        LEU  62  -8.329  -3.079  -7.173
  511    HA   LEU  62           HA       LEU  62 -10.099  -5.206  -6.871
  512   1HB   LEU  62          1HB       LEU  62  -7.699  -5.249  -6.300
  513   2HB   LEU  62          2HB       LEU  62  -8.007  -4.201  -4.932
  514    HG   LEU  62           HG       LEU  62  -9.395  -6.854  -5.085
  515   1HD1  LEU  62          1HD1      LEU  62  -6.584  -6.408  -4.085
  516   2HD1  LEU  62          2HD1      LEU  62  -7.033  -7.329  -5.520
  517   3HD1  LEU  62          3HD1      LEU  62  -7.521  -7.892  -3.922
  518   1HD2  LEU  62          1HD2      LEU  62  -8.342  -5.203  -2.787
  519   2HD2  LEU  62          2HD2      LEU  62  -9.277  -6.694  -2.657
  520   3HD2  LEU  62          3HD2      LEU  62 -10.019  -5.243  -3.333
  521    H    LEU  63           H        LEU  63  -9.691  -2.314  -4.850
  522    HA   LEU  63           HA       LEU  63 -11.587  -3.060  -2.881
  523   1HB   LEU  63          1HB       LEU  63 -10.585  -0.326  -3.685
  524   2HB   LEU  63          2HB       LEU  63 -11.528  -0.661  -2.244
  525    HG   LEU  63           HG       LEU  63  -8.817  -1.867  -2.787
  526   1HD1  LEU  63          1HD1      LEU  63  -7.970  -0.246  -1.158
  527   2HD1  LEU  63          2HD1      LEU  63  -9.558   0.520  -1.102
  528   3HD1  LEU  63          3HD1      LEU  63  -8.618   0.546  -2.596
  529   1HD2  LEU  63          1HD2      LEU  63  -8.896  -2.388  -0.392
  530   2HD2  LEU  63          2HD2      LEU  63 -10.210  -3.163  -1.277
  531   3HD2  LEU  63          3HD2      LEU  63 -10.529  -1.725  -0.309
  532    H    ASP  64           H        ASP  64 -11.846  -1.412  -5.954
  533    HA   ASP  64           HA       ASP  64 -14.449  -0.349  -5.562
  534   1HB   ASP  64          1HB       ASP  64 -12.924   0.515  -7.288
  535   2HB   ASP  64          2HB       ASP  64 -13.010  -1.023  -8.138
  536    H    ASN  65           H        ASN  65 -13.222  -3.426  -6.675
  537    HA   ASN  65           HA       ASN  65 -15.850  -4.332  -7.505
  538   1HB   ASN  65          1HB       ASN  65 -13.221  -5.814  -7.314
  539   2HB   ASN  65          2HB       ASN  65 -14.708  -6.483  -7.972
  540   1HD2  ASN  65          1HD2      ASN  65 -15.380  -3.821  -9.173
  541   2HD2  ASN  65          2HD2      ASN  65 -14.379  -3.718 -10.576
  542    H    LYS  66           H        LYS  66 -14.726  -3.734  -4.609
  543    HA   LYS  66           HA       LYS  66 -15.217  -4.389  -2.499
  544   1HB   LYS  66          1HB       LYS  66 -17.468  -5.818  -3.916
  545   2HB   LYS  66          2HB       LYS  66 -17.359  -5.618  -2.173
  546   1HG   LYS  66          1HG       LYS  66 -17.381  -3.161  -2.504
  547   2HG   LYS  66          2HG       LYS  66 -17.640  -3.437  -4.229
  548   1HD   LYS  66          1HD       LYS  66 -19.689  -4.709  -3.677
  549   2HD   LYS  66          2HD       LYS  66 -19.449  -4.313  -1.975
  550   1HE   LYS  66          1HE       LYS  66 -19.885  -2.340  -4.215
  551   2HE   LYS  66          2HE       LYS  66 -21.089  -2.833  -3.030
  552   1HZ   LYS  66          1HZ       LYS  66 -18.591  -1.310  -2.523
  553   2HZ   LYS  66          2HZ       LYS  66 -19.585  -1.925  -1.294
  554   3HZ   LYS  66          3HZ       LYS  66 -20.187  -0.755  -2.366
  555    H    GLN  67           H        GLN  67 -13.320  -6.017  -3.971
  556    HA   GLN  67           HA       GLN  67 -13.719  -8.750  -3.290
  557   1HB   GLN  67          1HB       GLN  67 -11.212  -7.176  -3.895
  558   2HB   GLN  67          2HB       GLN  67 -11.223  -8.911  -3.617
  559   1HG   GLN  67          1HG       GLN  67 -12.681  -7.465  -5.816
  560   2HG   GLN  67          2HG       GLN  67 -11.193  -8.396  -5.988
  561   1HE2  GLN  67          1HE2      GLN  67 -14.628  -8.530  -5.547
  562   2HE2  GLN  67          2HE2      GLN  67 -14.805 -10.232  -5.820
  563    HA   PRO  68           HA       PRO  68 -12.947  -8.457   1.057
  564   1HB   PRO  68          1HB       PRO  68 -12.292 -11.283   1.126
  565   2HB   PRO  68          2HB       PRO  68 -13.750 -10.471   1.697
  566   1HG   PRO  68          1HG       PRO  68 -13.714 -12.147  -0.449
  567   2HG   PRO  68          2HG       PRO  68 -14.868 -10.812  -0.269
  568   1HD   PRO  68          1HD       PRO  68 -12.356 -10.944  -1.896
  569   2HD   PRO  68          2HD       PRO  68 -13.931 -10.234  -2.309
  570    H    LEU  69           H        LEU  69 -10.652  -8.215  -0.915
  571    HA   LEU  69           HA       LEU  69  -8.413  -7.937  -0.868
  572   1HB   LEU  69          1HB       LEU  69  -8.724  -8.432   2.096
  573   2HB   LEU  69          2HB       LEU  69  -7.291  -7.781   1.320
  574    HG   LEU  69           HG       LEU  69 -10.002  -6.456   1.468
  575   1HD1  LEU  69          1HD1      LEU  69  -8.722  -6.426   3.560
  576   2HD1  LEU  69          2HD1      LEU  69  -8.888  -4.817   2.856
  577   3HD1  LEU  69          3HD1      LEU  69  -7.365  -5.693   2.702
  578   1HD2  LEU  69          1HD2      LEU  69  -7.450  -5.489   0.188
  579   2HD2  LEU  69          2HD2      LEU  69  -8.923  -4.543   0.389
  580   3HD2  LEU  69          3HD2      LEU  69  -8.923  -5.962  -0.658
  581    HA   PRO  70           HA       PRO  70  -6.329 -11.866  -1.144
  582   1HB   PRO  70          1HB       PRO  70  -4.152 -10.842   0.608
  583   2HB   PRO  70          2HB       PRO  70  -4.056 -11.558  -1.005
  584   1HG   PRO  70          1HG       PRO  70  -3.750  -8.934  -0.672
  585   2HG   PRO  70          2HG       PRO  70  -4.648  -9.570  -2.065
  586   1HD   PRO  70          1HD       PRO  70  -5.675  -8.339   0.457
  587   2HD   PRO  70          2HD       PRO  70  -6.270  -8.165  -1.207
  588    H    GLY  71           H        GLY  71  -6.528 -10.430   2.070
  589   1HA   GLY  71          1HA       GLY  71  -7.252 -11.392   4.046
  590   2HA   GLY  71          2HA       GLY  71  -7.468 -12.907   3.181
  591    H    ALA  72           H        ALA  72  -4.434 -11.888   2.521
  592    HA   ALA  72           HA       ALA  72  -3.108 -12.758   4.937
  593   1HB   ALA  72          1HB       ALA  72  -2.822 -14.350   2.381
  594   2HB   ALA  72          2HB       ALA  72  -3.624 -14.902   3.853
  595   3HB   ALA  72          3HB       ALA  72  -1.887 -14.590   3.859
  596    H    PHE  73           H        PHE  73  -3.258 -10.358   3.437
  597    HA   PHE  73           HA       PHE  73  -0.810 -10.231   1.851
  598   1HB   PHE  73          1HB       PHE  73  -3.011  -9.283   1.033
  599   2HB   PHE  73          2HB       PHE  73  -2.867  -8.060   2.288
  600    HD1  PHE  73           HD1      PHE  73  -1.312  -9.382  -0.783
  601    HD2  PHE  73           HD2      PHE  73  -1.507  -6.159   1.988
  602    HE1  PHE  73           HE1      PHE  73   0.005  -7.986  -2.320
  603    HE2  PHE  73           HE2      PHE  73  -0.188  -4.758   0.457
  604    HZ   PHE  73           HZ       PHE  73   0.570  -5.671  -1.701
  605    H    ALA  74           H        ALA  74   0.987  -9.788   2.918
  606    HA   ALA  74           HA       ALA  74   0.998  -7.534   4.780
  607   1HB   ALA  74          1HB       ALA  74   0.837  -9.536   6.180
  608   2HB   ALA  74          2HB       ALA  74   2.402  -8.747   6.374
  609   3HB   ALA  74          3HB       ALA  74   2.267 -10.206   5.393
  610    H    VAL  75           H        VAL  75   2.324  -6.133   3.822
  611    HA   VAL  75           HA       VAL  75   4.553  -7.191   2.230
  612    HB   VAL  75           HB       VAL  75   4.757  -4.862   1.345
  613   1HG1  VAL  75          1HG1      VAL  75   2.751  -5.013  -0.077
  614   2HG1  VAL  75          2HG1      VAL  75   2.108  -6.252   1.001
  615   3HG1  VAL  75          3HG1      VAL  75   3.587  -6.558   0.092
  616   1HG2  VAL  75          1HG2      VAL  75   2.181  -4.443   2.861
  617   2HG2  VAL  75          2HG2      VAL  75   2.865  -3.329   1.678
  618   3HG2  VAL  75          3HG2      VAL  75   3.724  -3.650   3.184
  619    H    ALA  76           H        ALA  76   3.897  -5.408   5.136
  620    HA   ALA  76           HA       ALA  76   6.304  -4.007   5.407
  621   1HB   ALA  76          1HB       ALA  76   4.310  -3.652   6.816
  622   2HB   ALA  76          2HB       ALA  76   5.802  -3.810   7.743
  623   3HB   ALA  76          3HB       ALA  76   4.670  -5.160   7.657
  624    HA   PRO  77           HA       PRO  77   7.972  -8.051   7.801
  625   1HB   PRO  77          1HB       PRO  77   6.607  -9.947   5.944
  626   2HB   PRO  77          2HB       PRO  77   7.051 -10.156   7.644
  627   1HG   PRO  77          1HG       PRO  77   4.531  -9.674   6.960
  628   2HG   PRO  77          2HG       PRO  77   5.236  -8.923   8.402
  629   1HD   PRO  77          1HD       PRO  77   4.647  -7.727   5.737
  630   2HD   PRO  77          2HD       PRO  77   4.549  -6.995   7.350
  631    H    TYR  78           H        TYR  78   7.202  -8.045   4.314
  632    HA   TYR  78           HA       TYR  78   9.715  -9.238   3.625
  633   1HB   TYR  78          1HB       TYR  78   7.766  -9.561   2.168
  634   2HB   TYR  78          2HB       TYR  78   7.711  -7.829   1.845
  635    HD1  TYR  78           HD1      TYR  78  10.357 -10.475   1.823
  636    HD2  TYR  78           HD2      TYR  78   8.497  -7.268  -0.266
  637    HE1  TYR  78           HE1      TYR  78  11.937 -10.776  -0.033
  638    HE2  TYR  78           HE2      TYR  78  10.077  -7.564  -2.138
  639    HH   TYR  78           HH       TYR  78  12.098  -8.522  -2.698
  640    H    TYR  79           H        TYR  79   8.377  -5.949   3.504
  641    HA   TYR  79           HA       TYR  79  10.677  -4.816   2.300
  642   1HB   TYR  79          1HB       TYR  79   8.360  -3.622   3.798
  643   2HB   TYR  79          2HB       TYR  79   9.700  -2.631   3.225
  644    HD1  TYR  79           HD1      TYR  79  10.344  -3.140   0.671
  645    HD2  TYR  79           HD2      TYR  79   6.515  -3.768   2.410
  646    HE1  TYR  79           HE1      TYR  79   9.316  -2.998  -1.553
  647    HE2  TYR  79           HE2      TYR  79   5.477  -3.630   0.185
  648    HH   TYR  79           HH       TYR  79   5.933  -2.749  -2.004
  649    H    GLU  80           H        GLU  80   9.883  -5.597   5.596
  650    HA   GLU  80           HA       GLU  80  11.825  -4.066   6.917
  651   1HB   GLU  80          1HB       GLU  80  10.079  -5.374   8.077
  652   2HB   GLU  80          2HB       GLU  80  10.881  -6.862   7.588
  653   1HG   GLU  80          1HG       GLU  80  12.912  -6.027   8.830
  654   2HG   GLU  80          2HG       GLU  80  11.876  -4.762   9.489
  655    H    MET  81           H        MET  81  12.030  -7.169   5.259
  656    HA   MET  81           HA       MET  81  14.830  -7.513   5.907
  657   1HB   MET  81          1HB       MET  81  13.085  -9.054   3.974
  658   2HB   MET  81          2HB       MET  81  14.685  -9.529   4.520
  659   1HG   MET  81          1HG       MET  81  13.861  -9.804   6.781
  660   2HG   MET  81          2HG       MET  81  12.265  -9.246   6.284
  661   1HE   MET  81          1HE       MET  81  12.149 -10.613   3.366
  662   2HE   MET  81          2HE       MET  81  10.764 -10.571   4.459
  663   3HE   MET  81          3HE       MET  81  11.268 -12.097   3.731
  664    H    ALA  82           H        ALA  82  12.869  -6.389   3.249
  665    HA   ALA  82           HA       ALA  82  14.894  -6.499   1.263
  666   1HB   ALA  82          1HB       ALA  82  12.347  -4.884   1.302
  667   2HB   ALA  82          2HB       ALA  82  12.517  -6.535   0.703
  668   3HB   ALA  82          3HB       ALA  82  13.351  -5.212  -0.112
  669    H    LEU  83           H        LEU  83  13.534  -3.823   3.180
  670    HA   LEU  83           HA       LEU  83  15.282  -1.877   2.026
  671   1HB   LEU  83          1HB       LEU  83  13.544  -1.767   4.491
  672   2HB   LEU  83          2HB       LEU  83  14.414  -0.395   3.830
  673    HG   LEU  83           HG       LEU  83  12.185  -1.915   2.475
  674   1HD1  LEU  83          1HD1      LEU  83  11.418  -0.455   4.266
  675   2HD1  LEU  83          2HD1      LEU  83  10.961   0.190   2.691
  676   3HD1  LEU  83          3HD1      LEU  83  12.321   0.890   3.569
  677   1HD2  LEU  83          1HD2      LEU  83  13.942  -1.131   0.914
  678   2HD2  LEU  83          2HD2      LEU  83  13.683   0.512   1.504
  679   3HD2  LEU  83          3HD2      LEU  83  12.386  -0.345   0.672
  680    H    ALA  84           H        ALA  84  17.068  -0.925   2.882
  681    HA   ALA  84           HA       ALA  84  18.326  -2.349   5.130
  682   1HB   ALA  84          1HB       ALA  84  19.643  -1.034   2.753
  683   2HB   ALA  84          2HB       ALA  84  19.446  -2.770   2.997
  684   3HB   ALA  84          3HB       ALA  84  20.480  -1.838   4.080
  685    H    THR  85           H        THR  85  20.168  -0.921   6.076
  686    HA   THR  85           HA       THR  85  18.975   1.433   7.159
  687    HB   THR  85           HB       THR  85  20.632  -0.111   8.285
  688    HG1  THR  85           HG1      THR  85  21.424   1.558   9.546
  689   1HG2  THR  85          1HG2      THR  85  22.619   1.508   6.709
  690   2HG2  THR  85          2HG2      THR  85  22.304  -0.216   6.521
  691   3HG2  THR  85          3HG2      THR  85  23.007   0.394   8.019
  692    H    ASP  86           H        ASP  86  20.414   0.848   4.297
  693    HA   ASP  86           HA       ASP  86  22.153   2.893   3.698
  694   1HB   ASP  86          1HB       ASP  86  21.762   1.152   2.093
  695   2HB   ASP  86          2HB       ASP  86  20.063   1.587   1.951
  696    H    HIS  87           H        HIS  87  18.606   2.980   3.371
  697    HA   HIS  87           HA       HIS  87  18.822   5.893   3.029
  698   1HB   HIS  87          1HB       HIS  87  17.714   4.424   1.222
  699   2HB   HIS  87          2HB       HIS  87  16.380   4.267   2.359
  700    HD1  HIS  87           HD1      HIS  87  18.252   6.890   0.404
  701    HD2  HIS  87           HD2      HIS  87  14.640   6.400   2.403
  702    HE1  HIS  87           HE1      HIS  87  16.912   8.960  -0.106
  703    HE2  HIS  87           HE2      HIS  87  14.829   8.740   1.299
  704    HA   PRO  88           HA       PRO  88  16.894   6.133   7.094
  705   1HB   PRO  88          1HB       PRO  88  16.928   9.018   6.551
  706   2HB   PRO  88          2HB       PRO  88  17.721   8.115   7.844
  707   1HG   PRO  88          1HG       PRO  88  19.105   9.245   5.819
  708   2HG   PRO  88          2HG       PRO  88  19.619   7.736   6.597
  709   1HD   PRO  88          1HD       PRO  88  18.203   8.140   3.987
  710   2HD   PRO  88          2HD       PRO  88  19.514   7.012   4.396
  711    H    GLN  89           H        GLN  89  14.965   7.497   7.893
  712    HA   GLN  89           HA       GLN  89  12.764   8.019   7.783
  713   1HB   GLN  89          1HB       GLN  89  13.315   8.639   4.871
  714   2HB   GLN  89          2HB       GLN  89  11.894   9.135   5.780
  715   1HG   GLN  89          1HG       GLN  89  13.342  10.464   7.266
  716   2HG   GLN  89          2HG       GLN  89  14.732  10.007   6.282
  717   1HE2  GLN  89          1HE2      GLN  89  13.673  12.646   6.832
  718   2HE2  GLN  89          2HE2      GLN  89  13.278  13.349   5.302
  719    H    ARG  90           H        ARG  90  13.846   5.321   7.048
  720    HA   ARG  90           HA       ARG  90  11.930   4.275   5.137
  721   1HB   ARG  90          1HB       ARG  90  13.189   2.321   5.125
  722   2HB   ARG  90          2HB       ARG  90  14.411   3.529   5.491
  723   1HG   ARG  90          1HG       ARG  90  13.904   2.942   7.962
  724   2HG   ARG  90          2HG       ARG  90  13.187   1.479   7.286
  725   1HD   ARG  90          1HD       ARG  90  15.463   1.006   7.861
  726   2HD   ARG  90          2HD       ARG  90  15.339   1.051   6.101
  727    HE   ARG  90           HE       ARG  90  16.370   3.238   6.155
  728   1HH1  ARG  90          1HH1      ARG  90  16.508   1.400   9.130
  729   2HH1  ARG  90          2HH1      ARG  90  17.917   2.223   9.732
  730   1HH2  ARG  90          1HH2      ARG  90  18.208   4.344   6.954
  731   2HH2  ARG  90          2HH2      ARG  90  18.876   3.906   8.491
  732    H    ALA  91           H        ALA  91  12.324   4.576   8.556
  733    HA   ALA  91           HA       ALA  91  10.570   2.522   9.394
  734   1HB   ALA  91          1HB       ALA  91  10.502   3.712  11.529
  735   2HB   ALA  91          2HB       ALA  91  11.283   5.104  10.780
  736   3HB   ALA  91          3HB       ALA  91  12.150   3.575  10.920
  737    H    LEU  92           H        LEU  92  10.095   5.833   8.378
  738    HA   LEU  92           HA       LEU  92   7.427   6.169   9.187
  739   1HB   LEU  92          1HB       LEU  92   8.832   7.348   6.784
  740   2HB   LEU  92          2HB       LEU  92   7.334   7.936   7.481
  741    HG   LEU  92           HG       LEU  92  10.021   7.936   8.860
  742   1HD1  LEU  92          1HD1      LEU  92   8.414  10.197   7.682
  743   2HD1  LEU  92          2HD1      LEU  92   9.916   9.542   7.031
  744   3HD1  LEU  92          3HD1      LEU  92   9.915  10.360   8.593
  745   1HD2  LEU  92          1HD2      LEU  92   8.906   9.271  10.572
  746   2HD2  LEU  92          2HD2      LEU  92   8.160   7.679  10.426
  747   3HD2  LEU  92          3HD2      LEU  92   7.370   9.091   9.722
  748    H    ILE  93           H        ILE  93   8.856   4.814   6.268
  749    HA   ILE  93           HA       ILE  93   6.405   4.370   4.898
  750    HB   ILE  93           HB       ILE  93   9.042   2.932   4.531
  751   1HG1  ILE  93          1HG1      ILE  93   7.979   5.392   3.123
  752   2HG1  ILE  93          2HG1      ILE  93   9.250   5.396   4.341
  753   1HG2  ILE  93          1HG2      ILE  93   8.220   2.500   2.257
  754   2HG2  ILE  93          2HG2      ILE  93   6.685   3.259   2.674
  755   3HG2  ILE  93          3HG2      ILE  93   7.181   1.772   3.482
  756   1HD1  ILE  93          1HD1      ILE  93  10.164   5.564   2.097
  757   2HD1  ILE  93          2HD1      ILE  93   9.388   4.043   1.655
  758   3HD1  ILE  93          3HD1      ILE  93  10.663   4.061   2.873
  759    H    LEU  94           H        LEU  94   8.535   2.308   6.855
  760    HA   LEU  94           HA       LEU  94   7.076  -0.072   6.598
  761   1HB   LEU  94          1HB       LEU  94   8.838   0.863   8.862
  762   2HB   LEU  94          2HB       LEU  94   8.256  -0.780   8.665
  763    HG   LEU  94           HG       LEU  94  10.071   0.670   6.733
  764   1HD1  LEU  94          1HD1      LEU  94  10.659  -1.531   8.706
  765   2HD1  LEU  94          2HD1      LEU  94  11.193   0.144   8.828
  766   3HD1  LEU  94          3HD1      LEU  94  11.788  -0.877   7.522
  767   1HD2  LEU  94          1HD2      LEU  94   8.645  -0.946   5.604
  768   2HD2  LEU  94          2HD2      LEU  94   9.097  -2.186   6.775
  769   3HD2  LEU  94          3HD2      LEU  94  10.308  -1.530   5.673
  770    H    ALA  95           H        ALA  95   6.811   2.556   8.959
  771    HA   ALA  95           HA       ALA  95   4.911   1.339  10.636
  772   1HB   ALA  95          1HB       ALA  95   6.152   3.342  11.283
  773   2HB   ALA  95          2HB       ALA  95   4.414   3.599  11.426
  774   3HB   ALA  95          3HB       ALA  95   5.296   4.275  10.057
  775    H    GLU  96           H        GLU  96   4.549   3.348   7.749
  776    HA   GLU  96           HA       GLU  96   1.718   3.454   7.793
  777   1HB   GLU  96          1HB       GLU  96   3.426   4.875   6.451
  778   2HB   GLU  96          2HB       GLU  96   3.361   3.569   5.276
  779   1HG   GLU  96          1HG       GLU  96   1.864   5.316   4.606
  780   2HG   GLU  96          2HG       GLU  96   0.922   3.906   5.090
  781    H    LEU  97           H        LEU  97   4.055   1.225   6.392
  782    HA   LEU  97           HA       LEU  97   2.239  -0.360   4.925
  783   1HB   LEU  97          1HB       LEU  97   4.905  -1.067   6.149
  784   2HB   LEU  97          2HB       LEU  97   4.018  -2.106   5.050
  785    HG   LEU  97           HG       LEU  97   5.084   0.638   4.374
  786   1HD1  LEU  97          1HD1      LEU  97   6.652  -0.597   2.937
  787   2HD1  LEU  97          2HD1      LEU  97   6.053  -2.112   3.614
  788   3HD1  LEU  97          3HD1      LEU  97   6.885  -0.950   4.649
  789   1HD2  LEU  97          1HD2      LEU  97   3.753  -1.445   2.647
  790   2HD2  LEU  97          2HD2      LEU  97   4.466   0.064   2.079
  791   3HD2  LEU  97          3HD2      LEU  97   3.055   0.098   3.138
  792    H    GLU  98           H        GLU  98   3.503  -0.664   8.233
  793    HA   GLU  98           HA       GLU  98   2.192  -3.006   8.983
  794   1HB   GLU  98          1HB       GLU  98   3.093  -0.576  10.488
  795   2HB   GLU  98          2HB       GLU  98   2.181  -1.830  11.315
  796   1HG   GLU  98          1HG       GLU  98   4.729  -2.332   9.799
  797   2HG   GLU  98          2HG       GLU  98   4.650  -2.011  11.532
  798    H    LYS  99           H        LYS  99   1.027   0.288   8.781
  799    HA   LYS  99           HA       LYS  99  -1.490  -0.157  10.034
  800   1HB   LYS  99          1HB       LYS  99  -0.281   2.057   9.650
  801   2HB   LYS  99          2HB       LYS  99  -0.836   1.962   7.986
  802   1HG   LYS  99          1HG       LYS  99  -3.176   1.864   8.863
  803   2HG   LYS  99          2HG       LYS  99  -2.515   2.196  10.468
  804   1HD   LYS  99          1HD       LYS  99  -2.326   3.952   8.020
  805   2HD   LYS  99          2HD       LYS  99  -3.242   4.274   9.493
  806   1HE   LYS  99          1HE       LYS  99  -1.248   4.544  10.767
  807   2HE   LYS  99          2HE       LYS  99  -0.249   3.931   9.452
  808   1HZ   LYS  99          1HZ       LYS  99  -0.903   5.876   8.135
  809   2HZ   LYS  99          2HZ       LYS  99  -0.082   6.307   9.555
  810   3HZ   LYS  99          3HZ       LYS  99  -1.768   6.484   9.466
  811    H    LEU 100           H        LEU 100  -0.332  -0.150   6.703
  812    HA   LEU 100           HA       LEU 100  -2.810  -0.569   5.427
  813   1HB   LEU 100          1HB       LEU 100  -0.840   0.246   4.245
  814   2HB   LEU 100          2HB       LEU 100  -0.002  -1.261   4.553
  815    HG   LEU 100           HG       LEU 100  -1.659  -2.444   3.138
  816   1HD1  LEU 100          1HD1      LEU 100  -3.550  -0.952   3.393
  817   2HD1  LEU 100          2HD1      LEU 100  -3.134  -1.117   1.687
  818   3HD1  LEU 100          3HD1      LEU 100  -2.673   0.338   2.571
  819   1HD2  LEU 100          1HD2      LEU 100  -0.244  -0.134   1.814
  820   2HD2  LEU 100          2HD2      LEU 100  -0.835  -1.582   1.000
  821   3HD2  LEU 100          3HD2      LEU 100   0.456  -1.708   2.195
  822    H    ASP 101           H        ASP 101  -0.218  -2.846   6.316
  823    HA   ASP 101           HA       ASP 101  -1.408  -5.205   5.464
  824   1HB   ASP 101          1HB       ASP 101   0.471  -4.648   7.755
  825   2HB   ASP 101          2HB       ASP 101  -0.067  -6.277   7.373
  826    H    ALA 102           H        ALA 102  -1.896  -3.384   8.425
  827    HA   ALA 102           HA       ALA 102  -3.442  -5.291   9.807
  828   1HB   ALA 102          1HB       ALA 102  -4.166  -3.425  11.204
  829   2HB   ALA 102          2HB       ALA 102  -3.495  -2.286  10.035
  830   3HB   ALA 102          3HB       ALA 102  -2.429  -3.378  10.918
  831    H    LEU 103           H        LEU 103  -4.250  -2.944   7.338
  832    HA   LEU 103           HA       LEU 103  -7.081  -3.126   7.679
  833   1HB   LEU 103          1HB       LEU 103  -5.397  -2.173   5.369
  834   2HB   LEU 103          2HB       LEU 103  -7.148  -2.071   5.406
  835    HG   LEU 103           HG       LEU 103  -5.273  -0.697   7.333
  836   1HD1  LEU 103          1HD1      LEU 103  -6.934   0.390   5.066
  837   2HD1  LEU 103          2HD1      LEU 103  -5.174   0.294   5.123
  838   3HD1  LEU 103          3HD1      LEU 103  -6.036   1.357   6.235
  839   1HD2  LEU 103          1HD2      LEU 103  -8.272  -0.546   7.052
  840   2HD2  LEU 103          2HD2      LEU 103  -7.283   0.440   8.133
  841   3HD2  LEU 103          3HD2      LEU 103  -7.389  -1.305   8.377
  842    H    PHE 104           H        PHE 104  -4.679  -4.827   5.776
  843    HA   PHE 104           HA       PHE 104  -6.582  -6.343   4.272
  844   1HB   PHE 104          1HB       PHE 104  -3.623  -6.640   4.736
  845   2HB   PHE 104          2HB       PHE 104  -4.546  -7.803   3.786
  846    HD1  PHE 104           HD2      PHE 104  -5.681  -7.068   1.722
  847    HD2  PHE 104           HD1      PHE 104  -2.995  -4.541   3.831
  848    HE1  PHE 104           HE2      PHE 104  -5.464  -5.648  -0.271
  849    HE2  PHE 104           HE1      PHE 104  -2.773  -3.113   1.840
  850    HZ   PHE 104           HZ       PHE 104  -4.010  -3.668  -0.216
  851    H    ALA 105           H        ALA 105  -5.624  -6.440   7.462
  852    HA   ALA 105           HA       ALA 105  -6.415  -9.250   7.754
  853   1HB   ALA 105          1HB       ALA 105  -4.340  -8.635   8.868
  854   2HB   ALA 105          2HB       ALA 105  -5.577  -9.053  10.054
  855   3HB   ALA 105          3HB       ALA 105  -5.176  -7.361   9.755
  856    H    ASP 106           H        ASP 106  -7.756  -6.261   7.674
  857    HA   ASP 106           HA       ASP 106  -9.669  -6.677   9.841
  858   1HB   ASP 106          1HB       ASP 106  -8.729  -4.426   9.581
  859   2HB   ASP 106          2HB       ASP 106  -9.335  -4.352   7.930
  860    H    ASP 107           H        ASP 107  -9.802  -5.883   6.357
  861    HA   ASP 107           HA       ASP 107 -12.491  -6.881   6.116
  862   1HB   ASP 107          1HB       ASP 107 -11.276  -5.101   4.631
  863   2HB   ASP 107          2HB       ASP 107 -10.625  -6.499   3.783
  864    H    ALA 108           H        ALA 108 -12.725  -8.986   6.524
  865    HA   ALA 108           HA       ALA 108 -10.486 -10.759   6.036
  866   1HB   ALA 108          1HB       ALA 108 -11.572 -10.704   8.237
  867   2HB   ALA 108          2HB       ALA 108 -11.611 -12.305   7.499
  868   3HB   ALA 108          3HB       ALA 108 -13.058 -11.299   7.496
  869    H    SER 109           H        SER 109 -10.433 -12.414   4.684
  870    HA   SER 109           HA       SER 109 -12.702 -12.957   2.945
  871   1HB   SER 109          1HB       SER 109 -10.040 -14.393   2.991
  872   2HB   SER 109          2HB       SER 109 -11.185 -14.272   1.654
  873    HG   SER 109           HG       SER 109 -10.580 -11.807   2.238
  874    H    LEU 110           H        LEU 110 -14.003 -14.741   3.179
  875    HA   LEU 110           HA       LEU 110 -13.952 -16.181   5.620
  876   1HB   LEU 110          1HB       LEU 110 -16.007 -15.746   4.318
  877   2HB   LEU 110          2HB       LEU 110 -15.432 -16.836   3.070
  878    HG   LEU 110           HG       LEU 110 -15.596 -18.729   4.573
  879   1HD1  LEU 110          1HD1      LEU 110 -14.974 -17.608   6.652
  880   2HD1  LEU 110          2HD1      LEU 110 -16.489 -18.493   6.835
  881   3HD1  LEU 110          3HD1      LEU 110 -16.510 -16.738   6.649
  882   1HD2  LEU 110          1HD2      LEU 110 -17.597 -18.078   3.341
  883   2HD2  LEU 110          2HD2      LEU 110 -18.074 -17.011   4.662
  884   3HD2  LEU 110          3HD2      LEU 110 -18.016 -18.756   4.915
  885    H    GLU 111           H        GLU 111 -12.761 -16.847   2.389
  886    HA   GLU 111           HA       GLU 111 -11.722 -19.435   3.245
  887   1HB   GLU 111          1HB       GLU 111 -12.695 -19.241   0.980
  888   2HB   GLU 111          2HB       GLU 111 -11.480 -18.037   0.571
  889   1HG   GLU 111          1HG       GLU 111 -10.942 -20.251  -0.327
  890   2HG   GLU 111          2HG       GLU 111  -9.719 -19.672   0.803
  891    H    HIS 112           H        HIS 112  -9.483 -19.904   3.239
  892    HA   HIS 112           HA       HIS 112  -7.924 -17.522   3.998
  893   1HB   HIS 112          1HB       HIS 112  -7.812 -20.387   4.926
  894   2HB   HIS 112          2HB       HIS 112  -6.529 -19.237   5.273
  895    HD1  HIS 112           HD1      HIS 112  -6.729 -18.236   7.498
  896    HD2  HIS 112           HD2      HIS 112 -10.444 -19.262   5.949
  897    HE1  HIS 112           HE1      HIS 112  -8.387 -17.686   9.303
  898    HE2  HIS 112           HE2      HIS 112 -10.572 -18.609   8.447
  899    H    HIS 113           H        HIS 113  -6.118 -17.017   2.904
  900    HA   HIS 113           HA       HIS 113  -4.909 -18.955   1.101
  901   1HB   HIS 113          1HB       HIS 113  -4.309 -16.070   1.749
  902   2HB   HIS 113          2HB       HIS 113  -3.198 -17.049   0.796
  903    HD1  HIS 113           HD1      HIS 113  -6.622 -15.493   0.662
  904    HD2  HIS 113           HD2      HIS 113  -3.979 -17.520  -1.828
  905    HE1  HIS 113           HE1      HIS 113  -7.577 -15.286  -1.654
  906    HE2  HIS 113           HE2      HIS 113  -5.863 -16.349  -3.161
  907    H    HIS 114           H        HIS 114  -4.523 -17.675   4.271
  908    HA   HIS 114           HA       HIS 114  -2.447 -19.702   4.737
  909   1HB   HIS 114          1HB       HIS 114  -2.750 -16.957   5.926
  910   2HB   HIS 114          2HB       HIS 114  -1.982 -18.235   6.858
  911    HD1  HIS 114           HD1      HIS 114  -0.432 -15.691   5.920
  912    HD2  HIS 114           HD2      HIS 114  -0.454 -19.358   3.949
  913    HE1  HIS 114           HE1      HIS 114   1.674 -15.740   4.543
  914    HE2  HIS 114           HE2      HIS 114   1.734 -18.048   3.523
  915    H    HIS 115           H        HIS 115  -3.016 -21.259   6.138
  916    HA   HIS 115           HA       HIS 115  -5.761 -21.642   6.494
  917   1HB   HIS 115          1HB       HIS 115  -3.372 -23.093   7.590
  918   2HB   HIS 115          2HB       HIS 115  -5.014 -23.585   7.993
  919    HD1  HIS 115           HD1      HIS 115  -6.393 -24.744   6.166
  920    HD2  HIS 115           HD2      HIS 115  -2.607 -23.555   4.915
  921    HE1  HIS 115           HE1      HIS 115  -6.032 -25.858   3.938
  922    HE2  HIS 115           HE2      HIS 115  -3.802 -24.999   3.129
  923    H    HIS 116           H        HIS 116  -3.330 -20.557   8.825
  924    HA   HIS 116           HA       HIS 116  -5.554 -20.092  10.704
  925   1HB   HIS 116          1HB       HIS 116  -2.626 -20.251  11.450
  926   2HB   HIS 116          2HB       HIS 116  -4.010 -20.233  12.536
  927    HD1  HIS 116           HD1      HIS 116  -1.737 -22.463  10.816
  928    HD2  HIS 116           HD2      HIS 116  -5.598 -22.706  12.341
  929    HE1  HIS 116           HE1      HIS 116  -2.232 -24.922  11.014
  930    HE2  HIS 116           HE2      HIS 116  -4.629 -25.049  11.788
  931    H    HIS 117           H        HIS 117  -2.309 -18.759  10.761
  932    HA   HIS 117           HA       HIS 117  -3.186 -16.178   9.789
  933   1HB   HIS 117          1HB       HIS 117  -2.349 -16.651  12.647
  934   2HB   HIS 117          2HB       HIS 117  -2.122 -15.085  11.878
  935    HD1  HIS 117           HD1      HIS 117  -4.599 -17.097  13.659
  936    HD2  HIS 117           HD2      HIS 117  -4.637 -13.886  11.016
  937    HE1  HIS 117           HE1      HIS 117  -6.878 -16.059  13.884
  938    HE2  HIS 117           HE2      HIS 117  -6.822 -14.024  12.397
  Start of MODEL   20
    1   1H    MET   1          1H        MET   1 -18.799  -1.007   6.532
    2   2H    MET   1          2H        MET   1 -17.840  -2.261   5.919
    3   3H    MET   1          3H        MET   1 -19.518  -2.301   5.706
    4    HA   MET   1           HA       MET   1 -18.434  -1.671   3.665
    5   1HB   MET   1          1HB       MET   1 -19.954   0.551   5.042
    6   2HB   MET   1          2HB       MET   1 -19.601   0.521   3.320
    7   1HG   MET   1          1HG       MET   1 -20.913  -1.484   3.045
    8   2HG   MET   1          2HG       MET   1 -21.195  -1.569   4.783
    9   1HE   MET   1          1HE       MET   1 -22.880   1.770   2.068
   10   2HE   MET   1          2HE       MET   1 -21.917   0.418   1.470
   11   3HE   MET   1          3HE       MET   1 -21.173   1.646   2.495
   12    H    THR   2           H        THR   2 -17.519   0.342   6.418
   13    HA   THR   2           HA       THR   2 -16.088   2.245   4.840
   14    HB   THR   2           HB       THR   2 -15.252   3.089   7.045
   15    HG1  THR   2           HG1      THR   2 -16.240   2.133   8.922
   16   1HG2  THR   2          1HG2      THR   2 -18.235   2.658   6.818
   17   2HG2  THR   2          2HG2      THR   2 -17.311   3.955   6.059
   18   3HG2  THR   2          3HG2      THR   2 -17.444   3.879   7.815
   19    H    THR   3           H        THR   3 -15.249  -0.836   6.106
   20    HA   THR   3           HA       THR   3 -12.537  -0.439   6.675
   21    HB   THR   3           HB       THR   3 -13.786  -2.975   5.608
   22    HG1  THR   3           HG1      THR   3 -13.466  -3.005   8.259
   23   1HG2  THR   3          1HG2      THR   3 -11.340  -2.998   5.625
   24   2HG2  THR   3          2HG2      THR   3 -11.984  -4.072   6.869
   25   3HG2  THR   3          3HG2      THR   3 -11.340  -2.492   7.316
   26    H    HIS   4           H        HIS   4 -14.128  -1.422   3.633
   27    HA   HIS   4           HA       HIS   4 -11.778  -1.723   2.111
   28   1HB   HIS   4          1HB       HIS   4 -14.533  -0.860   1.197
   29   2HB   HIS   4          2HB       HIS   4 -13.226  -1.346   0.125
   30    HD1  HIS   4           HD1      HIS   4 -16.202  -2.661   1.135
   31    HD2  HIS   4           HD2      HIS   4 -12.325  -4.155   1.333
   32    HE1  HIS   4           HE1      HIS   4 -16.444  -5.161   1.303
   33    HE2  HIS   4           HE2      HIS   4 -14.103  -5.996   1.722
   34    H    ASP   5           H        ASP   5 -13.918   1.050   2.570
   35    HA   ASP   5           HA       ASP   5 -12.512   2.853   0.939
   36   1HB   ASP   5          1HB       ASP   5 -14.414   3.256   3.241
   37   2HB   ASP   5          2HB       ASP   5 -13.748   4.595   2.312
   38    H    ARG   6           H        ARG   6 -12.102   1.876   4.262
   39    HA   ARG   6           HA       ARG   6 -10.385   3.978   5.052
   40   1HB   ARG   6          1HB       ARG   6 -11.622   2.134   6.452
   41   2HB   ARG   6          2HB       ARG   6 -10.143   1.219   6.188
   42   1HG   ARG   6          1HG       ARG   6  -8.840   2.982   7.222
   43   2HG   ARG   6          2HG       ARG   6 -10.304   3.946   7.439
   44   1HD   ARG   6          1HD       ARG   6  -9.739   1.256   8.685
   45   2HD   ARG   6          2HD       ARG   6  -9.698   2.813   9.511
   46    HE   ARG   6           HE       ARG   6 -12.191   2.813   8.577
   47   1HH1  ARG   6          1HH1      ARG   6 -10.388   0.330  10.291
   48   2HH1  ARG   6          2HH1      ARG   6 -11.815  -0.421  10.946
   49   1HH2  ARG   6          1HH2      ARG   6 -14.048   1.827   9.435
   50   2HH2  ARG   6          2HH2      ARG   6 -13.896   0.434  10.466
   51    H    VAL   7           H        VAL   7  -9.848   0.827   3.555
   52    HA   VAL   7           HA       VAL   7  -7.025   0.919   3.489
   53    HB   VAL   7           HB       VAL   7  -8.889  -0.384   1.487
   54   1HG1  VAL   7          1HG1      VAL   7  -5.985  -0.922   2.092
   55   2HG1  VAL   7          2HG1      VAL   7  -6.621  -0.158   0.638
   56   3HG1  VAL   7          3HG1      VAL   7  -6.995  -1.846   0.980
   57   1HG2  VAL   7          1HG2      VAL   7  -8.568  -2.432   2.792
   58   2HG2  VAL   7          2HG2      VAL   7  -9.334  -1.164   3.750
   59   3HG2  VAL   7          3HG2      VAL   7  -7.623  -1.527   3.975
   60    H    ARG   8           H        ARG   8  -9.526   2.066   1.286
   61    HA   ARG   8           HA       ARG   8  -7.925   3.057  -0.779
   62   1HB   ARG   8          1HB       ARG   8 -10.364   2.852  -0.938
   63   2HB   ARG   8          2HB       ARG   8 -10.563   4.109   0.270
   64   1HG   ARG   8          1HG       ARG   8  -9.455   5.702  -1.289
   65   2HG   ARG   8          2HG       ARG   8  -9.445   4.424  -2.509
   66   1HD   ARG   8          1HD       ARG   8 -11.884   4.273  -2.362
   67   2HD   ARG   8          2HD       ARG   8 -11.892   5.555  -1.155
   68    HE   ARG   8           HE       ARG   8 -10.834   6.061  -3.856
   69   1HH1  ARG   8          1HH1      ARG   8 -13.134   6.745  -1.299
   70   2HH1  ARG   8          2HH1      ARG   8 -13.797   8.143  -2.100
   71   1HH2  ARG   8          1HH2      ARG   8 -11.691   7.888  -4.900
   72   2HH2  ARG   8          2HH2      ARG   8 -12.961   8.799  -4.144
   73    H    LEU   9           H        LEU   9  -9.078   4.622   2.188
   74    HA   LEU   9           HA       LEU   9  -7.884   7.135   1.711
   75   1HB   LEU   9          1HB       LEU   9  -8.587   5.820   4.334
   76   2HB   LEU   9          2HB       LEU   9  -8.201   7.517   4.126
   77    HG   LEU   9           HG       LEU   9 -10.590   6.093   2.955
   78   1HD1  LEU   9          1HD1      LEU   9 -11.882   7.466   4.502
   79   2HD1  LEU   9          2HD1      LEU   9 -10.389   8.130   5.168
   80   3HD1  LEU   9          3HD1      LEU   9 -10.758   6.416   5.365
   81   1HD2  LEU   9          1HD2      LEU   9 -11.324   8.325   2.265
   82   2HD2  LEU   9          2HD2      LEU   9  -9.811   7.867   1.484
   83   3HD2  LEU   9          3HD2      LEU   9  -9.797   9.000   2.835
   84    H    GLN  10           H        GLN  10  -6.713   4.192   3.248
   85    HA   GLN  10           HA       GLN  10  -4.336   5.346   4.294
   86   1HB   GLN  10          1HB       GLN  10  -5.541   3.022   4.769
   87   2HB   GLN  10          2HB       GLN  10  -4.399   2.462   3.552
   88   1HG   GLN  10          1HG       GLN  10  -3.370   2.119   5.647
   89   2HG   GLN  10          2HG       GLN  10  -2.580   3.524   4.927
   90   1HE2  GLN  10          1HE2      GLN  10  -1.915   4.415   6.849
   91   2HE2  GLN  10          2HE2      GLN  10  -3.027   5.082   8.001
   92    H    LEU  11           H        LEU  11  -5.181   3.782   1.262
   93    HA   LEU  11           HA       LEU  11  -2.624   3.634   0.126
   94   1HB   LEU  11          1HB       LEU  11  -5.298   4.106  -1.196
   95   2HB   LEU  11          2HB       LEU  11  -3.820   3.733  -2.061
   96    HG   LEU  11           HG       LEU  11  -5.131   1.911  -0.043
   97   1HD1  LEU  11          1HD1      LEU  11  -5.759   0.560  -1.985
   98   2HD1  LEU  11          2HD1      LEU  11  -5.121   1.809  -3.055
   99   3HD1  LEU  11          3HD1      LEU  11  -6.512   2.155  -2.027
  100   1HD2  LEU  11          1HD2      LEU  11  -2.726   1.589  -0.183
  101   2HD2  LEU  11          2HD2      LEU  11  -2.827   1.478  -1.939
  102   3HD2  LEU  11          3HD2      LEU  11  -3.573   0.236  -0.933
  103    H    GLN  12           H        GLN  12  -4.956   6.261   0.314
  104    HA   GLN  12           HA       GLN  12  -3.528   8.126  -1.260
  105   1HB   GLN  12          1HB       GLN  12  -5.421   8.650   1.039
  106   2HB   GLN  12          2HB       GLN  12  -4.925   9.821  -0.176
  107   1HG   GLN  12          1HG       GLN  12  -6.016   8.503  -1.907
  108   2HG   GLN  12          2HG       GLN  12  -6.499   7.307  -0.702
  109   1HE2  GLN  12          1HE2      GLN  12  -8.135   8.933  -2.472
  110   2HE2  GLN  12          2HE2      GLN  12  -9.191   9.848  -1.446
  111    H    ALA  13           H        ALA  13  -3.514   7.359   2.186
  112    HA   ALA  13           HA       ALA  13  -1.708   9.358   3.015
  113   1HB   ALA  13          1HB       ALA  13  -3.080   8.099   4.592
  114   2HB   ALA  13          2HB       ALA  13  -1.370   7.957   4.998
  115   3HB   ALA  13          3HB       ALA  13  -2.197   6.623   4.197
  116    H    LEU  14           H        LEU  14  -1.241   6.043   1.894
  117    HA   LEU  14           HA       LEU  14   1.551   5.904   2.168
  118   1HB   LEU  14          1HB       LEU  14  -0.288   4.117   1.533
  119   2HB   LEU  14          2HB       LEU  14   0.127   4.572  -0.104
  120    HG   LEU  14           HG       LEU  14   2.127   3.527   1.905
  121   1HD1  LEU  14          1HD1      LEU  14   1.980   1.411   0.727
  122   2HD1  LEU  14          2HD1      LEU  14   0.724   2.065  -0.325
  123   3HD1  LEU  14          3HD1      LEU  14   0.409   1.855   1.398
  124   1HD2  LEU  14          1HD2      LEU  14   3.526   3.160  -0.070
  125   2HD2  LEU  14          2HD2      LEU  14   3.120   4.865   0.125
  126   3HD2  LEU  14          3HD2      LEU  14   2.285   3.892  -1.086
  127    H    GLU  15           H        GLU  15  -0.487   6.854  -0.589
  128    HA   GLU  15           HA       GLU  15   1.514   7.566  -2.391
  129   1HB   GLU  15          1HB       GLU  15  -0.851   7.444  -3.013
  130   2HB   GLU  15          2HB       GLU  15  -1.207   8.824  -1.984
  131   1HG   GLU  15          1HG       GLU  15   0.315  10.187  -3.411
  132   2HG   GLU  15          2HG       GLU  15   0.438   8.804  -4.498
  133    H    ALA  16           H        ALA  16  -0.117   9.532   0.068
  134    HA   ALA  16           HA       ALA  16   1.181  11.953  -0.407
  135   1HB   ALA  16          1HB       ALA  16   0.471  12.600   1.808
  136   2HB   ALA  16          2HB       ALA  16   0.215  10.912   2.252
  137   3HB   ALA  16          3HB       ALA  16  -0.808  11.667   1.030
  138    H    LEU  17           H        LEU  17   2.099   9.251   1.688
  139    HA   LEU  17           HA       LEU  17   4.324  10.443   2.909
  140   1HB   LEU  17          1HB       LEU  17   3.132   8.298   3.546
  141   2HB   LEU  17          2HB       LEU  17   4.008   7.514   2.249
  142    HG   LEU  17           HG       LEU  17   5.459   8.919   4.485
  143   1HD1  LEU  17          1HD1      LEU  17   3.960   7.313   5.521
  144   2HD1  LEU  17          2HD1      LEU  17   5.629   6.748   5.605
  145   3HD1  LEU  17          3HD1      LEU  17   4.523   6.055   4.420
  146   1HD2  LEU  17          1HD2      LEU  17   6.772   8.338   2.511
  147   2HD2  LEU  17          2HD2      LEU  17   6.228   6.665   2.628
  148   3HD2  LEU  17          3HD2      LEU  17   7.244   7.352   3.894
  149    H    LEU  18           H        LEU  18   4.069   8.454  -0.024
  150    HA   LEU  18           HA       LEU  18   6.837   8.536  -0.643
  151   1HB   LEU  18          1HB       LEU  18   4.455   8.074  -2.438
  152   2HB   LEU  18          2HB       LEU  18   6.123   7.823  -2.913
  153    HG   LEU  18           HG       LEU  18   4.629   6.295  -0.781
  154   1HD1  LEU  18          1HD1      LEU  18   4.908   4.404  -2.310
  155   2HD1  LEU  18          2HD1      LEU  18   5.651   5.477  -3.497
  156   3HD1  LEU  18          3HD1      LEU  18   3.962   5.699  -3.041
  157   1HD2  LEU  18          1HD2      LEU  18   6.641   4.907  -0.646
  158   2HD2  LEU  18          2HD2      LEU  18   6.968   6.573  -0.169
  159   3HD2  LEU  18          3HD2      LEU  18   7.466   5.997  -1.760
  160    H    ARG  19           H        ARG  19   4.106  10.567  -1.437
  161    HA   ARG  19           HA       ARG  19   5.336  12.197  -3.375
  162   1HB   ARG  19          1HB       ARG  19   2.887  12.046  -2.955
  163   2HB   ARG  19          2HB       ARG  19   3.119  12.912  -1.446
  164   1HG   ARG  19          1HG       ARG  19   3.917  14.860  -2.684
  165   2HG   ARG  19          2HG       ARG  19   3.688  13.985  -4.199
  166   1HD   ARG  19          1HD       ARG  19   1.290  13.742  -3.654
  167   2HD   ARG  19          2HD       ARG  19   1.547  14.711  -2.205
  168    HE   ARG  19           HE       ARG  19   2.437  16.395  -4.027
  169   1HH1  ARG  19          1HH1      ARG  19  -0.430  14.372  -4.066
  170   2HH1  ARG  19          2HH1      ARG  19  -1.317  15.427  -5.131
  171   1HH2  ARG  19          1HH2      ARG  19   1.280  17.791  -5.407
  172   2HH2  ARG  19          2HH2      ARG  19  -0.332  17.375  -5.905
  173    H    GLU  20           H        GLU  20   5.021  12.526   0.145
  174    HA   GLU  20           HA       GLU  20   6.170  15.041   0.474
  175   1HB   GLU  20          1HB       GLU  20   6.260  12.620   2.277
  176   2HB   GLU  20          2HB       GLU  20   6.814  14.215   2.762
  177   1HG   GLU  20          1HG       GLU  20   4.553  15.092   2.396
  178   2HG   GLU  20          2HG       GLU  20   4.011  13.470   1.963
  179    H    HIS  21           H        HIS  21   7.715  11.867   0.282
  180    HA   HIS  21           HA       HIS  21  10.333  13.138   0.551
  181   1HB   HIS  21          1HB       HIS  21   9.468  10.250   0.659
  182   2HB   HIS  21          2HB       HIS  21  11.158  10.743   0.644
  183    HD1  HIS  21           HD1      HIS  21  11.920  12.279   2.716
  184    HD2  HIS  21           HD2      HIS  21   8.267  10.331   3.124
  185    HE1  HIS  21           HE1      HIS  21  11.406  12.313   5.180
  186    HE2  HIS  21           HE2      HIS  21   9.090  11.336   5.361
  187    H    GLN  22           H        GLN  22   8.371  12.899  -1.851
  188    HA   GLN  22           HA       GLN  22   8.483  12.792  -4.105
  189   1HB   GLN  22          1HB       GLN  22  11.312  13.627  -3.473
  190   2HB   GLN  22          2HB       GLN  22  10.587  13.712  -5.075
  191   1HG   GLN  22          1HG       GLN  22   8.888  15.240  -4.235
  192   2HG   GLN  22          2HG       GLN  22   9.596  15.147  -2.624
  193   1HE2  GLN  22          1HE2      GLN  22   9.182  17.430  -4.376
  194   2HE2  GLN  22          2HE2      GLN  22  10.736  18.160  -4.581
  195    H    HIS  23           H        HIS  23   8.642  10.294  -3.042
  196    HA   HIS  23           HA       HIS  23  10.630   8.913  -4.711
  197   1HB   HIS  23          1HB       HIS  23   9.072   8.104  -2.288
  198   2HB   HIS  23          2HB       HIS  23   9.588   6.860  -3.421
  199    HD1  HIS  23           HD1      HIS  23  12.216   6.631  -3.777
  200    HD2  HIS  23           HD2      HIS  23  11.014   8.989  -0.569
  201    HE1  HIS  23           HE1      HIS  23  14.230   6.824  -2.283
  202    HE2  HIS  23           HE2      HIS  23  13.401   8.050  -0.241
  203    H    TRP  24           H        TRP  24   7.858  10.217  -5.297
  204    HA   TRP  24           HA       TRP  24   6.774   7.913  -6.779
  205   1HB   TRP  24          1HB       TRP  24   5.272   9.077  -5.074
  206   2HB   TRP  24          2HB       TRP  24   5.301  10.475  -6.143
  207    HD1  TRP  24           HD1      TRP  24   4.556   9.642  -8.872
  208    HE1  TRP  24           HE1      TRP  24   2.446   8.294  -9.474
  209    HE3  TRP  24           HE3      TRP  24   3.583   7.569  -4.300
  210    HZ2  TRP  24           HZ2      TRP  24   0.604   6.596  -8.176
  211    HZ3  TRP  24           HZ3      TRP  24   1.626   6.103  -4.064
  212    HH2  TRP  24           HH2      TRP  24   0.168   5.627  -5.964
  213    H    ARG  25           H        ARG  25   7.256   7.951  -8.866
  214    HA   ARG  25           HA       ARG  25   7.748  10.571 -10.137
  215   1HB   ARG  25          1HB       ARG  25   8.821   7.877 -10.990
  216   2HB   ARG  25          2HB       ARG  25   9.240   9.439 -11.676
  217   1HG   ARG  25          1HG       ARG  25  10.338  10.090  -9.626
  218   2HG   ARG  25          2HG       ARG  25   9.836   8.585  -8.851
  219   1HD   ARG  25          1HD       ARG  25  11.692   8.861 -11.216
  220   2HD   ARG  25          2HD       ARG  25  12.141   8.408  -9.570
  221    HE   ARG  25           HE       ARG  25  10.837   6.360  -9.883
  222   1HH1  ARG  25          1HH1      ARG  25  11.851   8.148 -12.722
  223   2HH1  ARG  25          2HH1      ARG  25  11.666   6.799 -13.806
  224   1HH2  ARG  25          1HH2      ARG  25  10.590   4.575 -11.285
  225   2HH2  ARG  25          2HH2      ARG  25  10.954   4.761 -12.981
  226    H    ASN  26           H        ASN  26   6.550  11.097 -11.919
  227    HA   ASN  26           HA       ASN  26   4.370   9.359 -12.636
  228   1HB   ASN  26          1HB       ASN  26   4.217  11.889 -12.633
  229   2HB   ASN  26          2HB       ASN  26   5.219  11.877 -14.083
  230   1HD2  ASN  26          1HD2      ASN  26   4.371  11.024 -16.009
  231   2HD2  ASN  26          2HD2      ASN  26   2.667  10.817 -16.234
  232    H    ASP  27           H        ASP  27   5.014   7.545 -13.632
  233    HA   ASP  27           HA       ASP  27   6.517   7.813 -16.140
  234   1HB   ASP  27          1HB       ASP  27   7.995   7.132 -14.168
  235   2HB   ASP  27          2HB       ASP  27   7.077   5.632 -14.122
  236    H    GLU  28           H        GLU  28   6.120   6.061 -17.635
  237    HA   GLU  28           HA       GLU  28   3.625   4.650 -17.010
  238   1HB   GLU  28          1HB       GLU  28   3.255   4.499 -19.440
  239   2HB   GLU  28          2HB       GLU  28   3.368   6.160 -18.882
  240   1HG   GLU  28          1HG       GLU  28   5.655   6.290 -19.707
  241   2HG   GLU  28          2HG       GLU  28   5.557   4.614 -20.250
  242    HA   PRO  29           HA       PRO  29   6.293   1.044 -16.996
  243   1HB   PRO  29          1HB       PRO  29   3.812  -0.339 -16.255
  244   2HB   PRO  29          2HB       PRO  29   5.325  -0.201 -15.357
  245   1HG   PRO  29          1HG       PRO  29   3.076   1.074 -14.584
  246   2HG   PRO  29          2HG       PRO  29   4.692   1.760 -14.327
  247   1HD   PRO  29          1HD       PRO  29   2.667   2.415 -16.436
  248   2HD   PRO  29          2HD       PRO  29   3.722   3.504 -15.507
  249    H    GLN  30           H        GLN  30   6.728   0.412 -19.007
  250    HA   GLN  30           HA       GLN  30   4.764   0.086 -21.031
  251   1HB   GLN  30          1HB       GLN  30   7.647  -0.826 -20.967
  252   2HB   GLN  30          2HB       GLN  30   6.633  -0.743 -22.400
  253   1HG   GLN  30          1HG       GLN  30   6.452   1.671 -22.148
  254   2HG   GLN  30          2HG       GLN  30   7.447   1.595 -20.693
  255   1HE2  GLN  30          1HE2      GLN  30   7.404   1.358 -24.151
  256   2HE2  GLN  30          2HE2      GLN  30   9.115   1.439 -24.389
  257    HA   PRO  31           HA       PRO  31   3.211  -4.002 -20.728
  258   1HB   PRO  31          1HB       PRO  31   4.450  -4.512 -23.397
  259   2HB   PRO  31          2HB       PRO  31   2.801  -4.824 -22.844
  260   1HG   PRO  31          1HG       PRO  31   3.330  -2.736 -24.400
  261   2HG   PRO  31          2HG       PRO  31   2.164  -2.604 -23.070
  262   1HD   PRO  31          1HD       PRO  31   4.944  -1.560 -23.270
  263   2HD   PRO  31          2HD       PRO  31   3.540  -0.885 -22.420
  264    H    HIS  32           H        HIS  32   6.531  -3.825 -22.026
  265    HA   HIS  32           HA       HIS  32   7.207  -6.509 -21.532
  266   1HB   HIS  32          1HB       HIS  32   8.499  -4.886 -22.969
  267   2HB   HIS  32          2HB       HIS  32   9.151  -4.195 -21.487
  268    HD1  HIS  32           HD1      HIS  32   9.694  -6.857 -23.916
  269    HD2  HIS  32           HD2      HIS  32  10.735  -6.138 -19.953
  270    HE1  HIS  32           HE1      HIS  32  11.541  -8.480 -23.393
  271    HE2  HIS  32           HE2      HIS  32  11.969  -8.194 -20.925
  272    H    GLN  33           H        GLN  33   7.260  -3.686 -19.468
  273    HA   GLN  33           HA       GLN  33   8.766  -4.734 -17.344
  274   1HB   GLN  33          1HB       GLN  33   6.679  -2.584 -17.545
  275   2HB   GLN  33          2HB       GLN  33   7.273  -3.079 -15.971
  276   1HG   GLN  33          1HG       GLN  33   8.561  -1.228 -16.503
  277   2HG   GLN  33          2HG       GLN  33   9.604  -2.590 -16.886
  278   1HE2  GLN  33          1HE2      GLN  33   9.563   0.203 -17.831
  279   2HE2  GLN  33          2HE2      GLN  33   9.510   0.101 -19.554
  280    H    PHE  34           H        PHE  34   5.383  -5.036 -18.209
  281    HA   PHE  34           HA       PHE  34   4.720  -6.402 -15.744
  282   1HB   PHE  34          1HB       PHE  34   3.099  -5.771 -18.211
  283   2HB   PHE  34          2HB       PHE  34   2.462  -6.645 -16.822
  284    HD1  PHE  34           HD1      PHE  34   2.693  -5.444 -14.528
  285    HD2  PHE  34           HD2      PHE  34   2.907  -3.479 -18.296
  286    HE1  PHE  34           HE1      PHE  34   2.106  -3.314 -13.446
  287    HE2  PHE  34           HE2      PHE  34   2.318  -1.347 -17.219
  288    HZ   PHE  34           HZ       PHE  34   1.920  -1.260 -14.792
  289    H    ASN  35           H        ASN  35   5.972  -7.265 -18.776
  290    HA   ASN  35           HA       ASN  35   4.764  -9.785 -19.160
  291   1HB   ASN  35          1HB       ASN  35   7.471  -8.772 -20.045
  292   2HB   ASN  35          2HB       ASN  35   6.799 -10.320 -20.536
  293   1HD2  ASN  35          1HD2      ASN  35   4.060  -9.200 -20.672
  294   2HD2  ASN  35          2HD2      ASN  35   4.031  -8.257 -22.128
  295    H    SER  36           H        SER  36   7.109  -8.725 -16.903
  296    HA   SER  36           HA       SER  36   8.385 -11.138 -16.298
  297   1HB   SER  36          1HB       SER  36   8.634 -10.109 -13.989
  298   2HB   SER  36          2HB       SER  36   9.235  -9.129 -15.326
  299    HG   SER  36           HG       SER  36   7.678  -7.706 -15.019
  300    H    THR  37           H        THR  37   5.343  -9.736 -15.272
  301    HA   THR  37           HA       THR  37   3.543 -10.502 -14.146
  302    HB   THR  37           HB       THR  37   4.213 -13.138 -15.459
  303    HG1  THR  37           HG1      THR  37   2.890 -12.195 -17.202
  304   1HG2  THR  37          1HG2      THR  37   2.336 -13.231 -13.890
  305   2HG2  THR  37          2HG2      THR  37   1.761 -13.384 -15.551
  306   3HG2  THR  37          3HG2      THR  37   1.583 -11.852 -14.693
  307    H    GLN  38           H        GLN  38   5.106 -10.223 -12.258
  308    HA   GLN  38           HA       GLN  38   5.053 -12.704 -10.684
  309   1HB   GLN  38          1HB       GLN  38   7.254 -10.614 -10.657
  310   2HB   GLN  38          2HB       GLN  38   7.160 -12.007  -9.586
  311   1HG   GLN  38          1HG       GLN  38   7.337 -13.497 -11.519
  312   2HG   GLN  38          2HG       GLN  38   7.448 -12.096 -12.580
  313   1HE2  GLN  38          1HE2      GLN  38   8.966 -12.253  -9.438
  314   2HE2  GLN  38          2HE2      GLN  38  10.595 -12.317 -10.018
  315    HA   PRO  39           HA       PRO  39   2.597 -10.760  -7.657
  316   1HB   PRO  39          1HB       PRO  39   4.824 -11.177  -5.713
  317   2HB   PRO  39          2HB       PRO  39   3.107 -11.564  -5.554
  318   1HG   PRO  39          1HG       PRO  39   4.881 -13.474  -6.094
  319   2HG   PRO  39          2HG       PRO  39   3.278 -13.475  -6.849
  320   1HD   PRO  39          1HD       PRO  39   5.923 -12.813  -8.025
  321   2HD   PRO  39          2HD       PRO  39   4.482 -13.501  -8.798
  322    H    PHE  40           H        PHE  40   5.979  -9.832  -7.117
  323    HA   PHE  40           HA       PHE  40   5.087  -7.049  -6.739
  324   1HB   PHE  40          1HB       PHE  40   7.626  -8.394  -5.781
  325   2HB   PHE  40          2HB       PHE  40   7.236  -6.693  -5.553
  326    HD1  PHE  40           HD1      PHE  40   6.084 -10.120  -4.734
  327    HD2  PHE  40           HD2      PHE  40   6.016  -5.997  -3.697
  328    HE1  PHE  40           HE1      PHE  40   4.980 -10.682  -2.617
  329    HE2  PHE  40           HE2      PHE  40   4.903  -6.551  -1.573
  330    HZ   PHE  40           HZ       PHE  40   4.392  -8.900  -1.038
  331    H    PHE  41           H        PHE  41   5.990  -8.844  -9.144
  332    HA   PHE  41           HA       PHE  41   7.271  -8.734 -11.023
  333   1HB   PHE  41          1HB       PHE  41   6.897  -5.776 -10.492
  334   2HB   PHE  41          2HB       PHE  41   7.460  -6.459 -12.016
  335    HD1  PHE  41           HD2      PHE  41   5.933  -7.840 -13.384
  336    HD2  PHE  41           HD1      PHE  41   4.597  -5.786  -9.908
  337    HE1  PHE  41           HE2      PHE  41   3.604  -8.109 -14.128
  338    HE2  PHE  41           HE1      PHE  41   2.265  -6.046 -10.645
  339    HZ   PHE  41           HZ       PHE  41   1.767  -7.210 -12.758
  340    H    MET  42           H        MET  42   8.744  -9.158  -8.725
  341    HA   MET  42           HA       MET  42  10.900  -7.328  -8.382
  342   1HB   MET  42          1HB       MET  42  11.795  -9.029  -6.838
  343   2HB   MET  42          2HB       MET  42  10.102  -8.679  -6.526
  344   1HG   MET  42          1HG       MET  42  10.925 -11.010  -8.218
  345   2HG   MET  42          2HG       MET  42  10.881 -11.117  -6.461
  346   1HE   MET  42          1HE       MET  42   8.952 -11.694  -5.139
  347   2HE   MET  42          2HE       MET  42   7.273 -11.311  -5.512
  348   3HE   MET  42          3HE       MET  42   8.428 -10.011  -5.223
  349    H    ASP  43           H        ASP  43  11.022  -7.754 -10.986
  350    HA   ASP  43           HA       ASP  43  13.589  -9.069 -11.318
  351   1HB   ASP  43          1HB       ASP  43  11.970 -10.876 -11.804
  352   2HB   ASP  43          2HB       ASP  43  11.212  -9.856 -13.024
  353    H    THR  44           H        THR  44  10.972  -7.894 -13.405
  354    HA   THR  44           HA       THR  44  12.837  -6.523 -15.096
  355    HB   THR  44           HB       THR  44   9.820  -6.410 -15.198
  356    HG1  THR  44           HG1      THR  44  11.658  -8.345 -16.206
  357   1HG2  THR  44          1HG2      THR  44  10.939  -4.804 -16.657
  358   2HG2  THR  44          2HG2      THR  44  10.197  -6.093 -17.606
  359   3HG2  THR  44          3HG2      THR  44  11.937  -6.093 -17.329
  360    H    MET  45           H        MET  45  10.809  -5.663 -12.412
  361    HA   MET  45           HA       MET  45  11.603  -2.857 -12.786
  362   1HB   MET  45          1HB       MET  45   8.922  -3.900 -11.871
  363   2HB   MET  45          2HB       MET  45   9.443  -2.242 -11.614
  364   1HG   MET  45          1HG       MET  45   9.689  -1.977 -14.053
  365   2HG   MET  45          2HG       MET  45   9.063  -3.611 -14.264
  366   1HE   MET  45          1HE       MET  45   5.390  -3.261 -12.959
  367   2HE   MET  45          2HE       MET  45   6.807  -3.796 -12.059
  368   3HE   MET  45          3HE       MET  45   6.568  -4.331 -13.722
  369    H    GLU  46           H        GLU  46  11.664  -1.613 -10.784
  370    HA   GLU  46           HA       GLU  46  12.917  -3.063  -8.654
  371   1HB   GLU  46          1HB       GLU  46  12.133  -0.177  -9.030
  372   2HB   GLU  46          2HB       GLU  46  12.820  -0.762  -7.522
  373   1HG   GLU  46          1HG       GLU  46  14.163  -1.039 -10.196
  374   2HG   GLU  46          2HG       GLU  46  14.449   0.294  -9.078
  375    HA   PRO  47           HA       PRO  47   9.303  -4.120  -6.291
  376   1HB   PRO  47          1HB       PRO  47  11.136  -3.803  -3.973
  377   2HB   PRO  47          2HB       PRO  47  10.144  -5.187  -4.443
  378   1HG   PRO  47          1HG       PRO  47  12.787  -5.222  -4.798
  379   2HG   PRO  47          2HG       PRO  47  11.694  -5.941  -5.996
  380   1HD   PRO  47          1HD       PRO  47  13.149  -3.330  -6.081
  381   2HD   PRO  47          2HD       PRO  47  12.840  -4.492  -7.388
  382    H    LEU  48           H        LEU  48  11.269  -1.314  -5.695
  383    HA   LEU  48           HA       LEU  48   9.534  -0.090  -3.778
  384   1HB   LEU  48          1HB       LEU  48  11.927   0.459  -3.953
  385   2HB   LEU  48          2HB       LEU  48  11.654   1.134  -5.547
  386    HG   LEU  48           HG       LEU  48  10.201   2.863  -4.546
  387   1HD1  LEU  48          1HD1      LEU  48   9.457   1.621  -2.581
  388   2HD1  LEU  48          2HD1      LEU  48  10.172   3.168  -2.127
  389   3HD1  LEU  48          3HD1      LEU  48  11.092   1.677  -1.921
  390   1HD2  LEU  48          1HD2      LEU  48  12.550   3.337  -4.940
  391   2HD2  LEU  48          2HD2      LEU  48  12.966   2.667  -3.363
  392   3HD2  LEU  48          3HD2      LEU  48  11.997   4.137  -3.469
  393    H    GLU  49           H        GLU  49   9.857  -0.011  -7.278
  394    HA   GLU  49           HA       GLU  49   8.108   2.195  -7.720
  395   1HB   GLU  49          1HB       GLU  49   8.725  -0.046  -9.649
  396   2HB   GLU  49          2HB       GLU  49   8.214   1.588 -10.040
  397   1HG   GLU  49          1HG       GLU  49  10.844   0.813  -8.805
  398   2HG   GLU  49          2HG       GLU  49  10.578   1.246 -10.491
  399    H    TRP  50           H        TRP  50   7.690  -1.126  -7.034
  400    HA   TRP  50           HA       TRP  50   5.219  -1.701  -8.192
  401   1HB   TRP  50          1HB       TRP  50   6.786  -3.334  -7.134
  402   2HB   TRP  50          2HB       TRP  50   6.295  -2.729  -5.558
  403    HD1  TRP  50           HD1      TRP  50   4.778  -4.559  -8.608
  404    HE1  TRP  50           HE1      TRP  50   2.833  -6.025  -7.770
  405    HE3  TRP  50           HE3      TRP  50   4.723  -3.112  -3.713
  406    HZ2  TRP  50           HZ2      TRP  50   1.460  -6.502  -5.354
  407    HZ3  TRP  50           HZ3      TRP  50   3.069  -4.121  -2.202
  408    HH2  TRP  50           HH2      TRP  50   1.465  -5.775  -3.008
  409    H    LEU  51           H        LEU  51   6.038   0.022  -5.251
  410    HA   LEU  51           HA       LEU  51   3.483   0.062  -4.061
  411   1HB   LEU  51          1HB       LEU  51   5.803   1.978  -3.867
  412   2HB   LEU  51          2HB       LEU  51   4.356   2.123  -2.892
  413    HG   LEU  51           HG       LEU  51   6.187  -0.277  -2.857
  414   1HD1  LEU  51          1HD1      LEU  51   6.971   0.591  -0.712
  415   2HD1  LEU  51          2HD1      LEU  51   5.999   2.045  -0.941
  416   3HD1  LEU  51          3HD1      LEU  51   7.343   1.701  -2.029
  417   1HD2  LEU  51          1HD2      LEU  51   4.971  -0.848  -0.821
  418   2HD2  LEU  51          2HD2      LEU  51   3.879  -0.752  -2.203
  419   3HD2  LEU  51          3HD2      LEU  51   3.937   0.565  -1.030
  420    H    GLN  52           H        GLN  52   4.979   2.065  -6.514
  421    HA   GLN  52           HA       GLN  52   3.182   4.262  -6.189
  422   1HB   GLN  52          1HB       GLN  52   4.972   3.713  -8.552
  423   2HB   GLN  52          2HB       GLN  52   4.334   5.266  -8.033
  424   1HG   GLN  52          1HG       GLN  52   5.694   5.141  -6.004
  425   2HG   GLN  52          2HG       GLN  52   6.339   3.590  -6.538
  426   1HE2  GLN  52          1HE2      GLN  52   8.432   4.246  -6.674
  427   2HE2  GLN  52          2HE2      GLN  52   9.007   5.379  -7.844
  428    H    TRP  53           H        TRP  53   3.747   2.262  -9.096
  429    HA   TRP  53           HA       TRP  53   1.115   3.154 -10.006
  430   1HB   TRP  53          1HB       TRP  53   3.469   2.059 -11.550
  431   2HB   TRP  53          2HB       TRP  53   1.930   2.525 -12.270
  432    HD1  TRP  53           HD1      TRP  53   5.173   3.969 -10.975
  433    HE1  TRP  53           HE1      TRP  53   5.199   6.512 -11.383
  434    HE3  TRP  53           HE3      TRP  53   0.304   4.606 -12.401
  435    HZ2  TRP  53           HZ2      TRP  53   3.390   8.515 -12.208
  436    HZ3  TRP  53           HZ3      TRP  53  -0.468   6.867 -12.983
  437    HH2  TRP  53           HH2      TRP  53   1.044   8.781 -12.887
  438    H    VAL  54           H        VAL  54   2.163   0.533  -8.423
  439    HA   VAL  54           HA       VAL  54   0.343  -1.206  -9.950
  440    HB   VAL  54           HB       VAL  54   2.584  -2.175  -8.174
  441   1HG1  VAL  54          1HG1      VAL  54   2.084  -4.358  -9.180
  442   2HG1  VAL  54          2HG1      VAL  54   0.745  -3.633 -10.073
  443   3HG1  VAL  54          3HG1      VAL  54   0.694  -3.702  -8.312
  444   1HG2  VAL  54          1HG2      VAL  54   2.443  -2.045 -11.189
  445   2HG2  VAL  54          2HG2      VAL  54   3.709  -2.844 -10.258
  446   3HG2  VAL  54          3HG2      VAL  54   3.509  -1.096 -10.151
  447    H    LEU  55           H        LEU  55   1.692  -1.238  -6.640
  448    HA   LEU  55           HA       LEU  55  -0.340  -2.713  -5.519
  449   1HB   LEU  55          1HB       LEU  55   1.739  -2.339  -4.365
  450   2HB   LEU  55          2HB       LEU  55   1.391  -0.627  -4.208
  451    HG   LEU  55           HG       LEU  55  -0.506  -1.155  -2.729
  452   1HD1  LEU  55          1HD1      LEU  55  -0.776  -3.423  -1.861
  453   2HD1  LEU  55          2HD1      LEU  55   0.433  -3.997  -3.011
  454   3HD1  LEU  55          3HD1      LEU  55  -1.094  -3.331  -3.592
  455   1HD2  LEU  55          1HD2      LEU  55   2.092  -2.404  -1.862
  456   2HD2  LEU  55          2HD2      LEU  55   0.792  -1.872  -0.794
  457   3HD2  LEU  55          3HD2      LEU  55   1.682  -0.692  -1.759
  458    H    ILE  56           H        ILE  56  -0.068   0.847  -5.274
  459    HA   ILE  56           HA       ILE  56  -2.454   1.107  -3.825
  460    HB   ILE  56           HB       ILE  56  -0.952   3.167  -5.429
  461   1HG1  ILE  56          1HG1      ILE  56  -1.088   2.579  -2.467
  462   2HG1  ILE  56          2HG1      ILE  56   0.262   2.190  -3.529
  463   1HG2  ILE  56          1HG2      ILE  56  -2.233   4.851  -4.221
  464   2HG2  ILE  56          2HG2      ILE  56  -3.191   3.582  -3.459
  465   3HG2  ILE  56          3HG2      ILE  56  -3.292   3.835  -5.200
  466   1HD1  ILE  56          1HD1      ILE  56  -0.723   4.954  -2.865
  467   2HD1  ILE  56          2HD1      ILE  56   0.635   4.564  -3.920
  468   3HD1  ILE  56          3HD1      ILE  56   0.713   4.170  -2.203
  469    HA   PRO  57           HA       PRO  57  -4.656   2.292  -8.062
  470   1HB   PRO  57          1HB       PRO  57  -2.898   0.749  -9.900
  471   2HB   PRO  57          2HB       PRO  57  -3.731   2.286 -10.164
  472   1HG   PRO  57          1HG       PRO  57  -1.104   2.225  -9.759
  473   2HG   PRO  57          2HG       PRO  57  -2.103   3.508  -9.050
  474   1HD   PRO  57          1HD       PRO  57  -0.929   1.083  -7.751
  475   2HD   PRO  57          2HD       PRO  57  -1.089   2.734  -7.124
  476    H    ARG  58           H        ARG  58  -2.868  -0.765  -7.809
  477    HA   ARG  58           HA       ARG  58  -4.831  -2.465  -8.873
  478   1HB   ARG  58          1HB       ARG  58  -2.451  -3.067  -8.464
  479   2HB   ARG  58          2HB       ARG  58  -2.786  -3.104  -6.740
  480   1HG   ARG  58          1HG       ARG  58  -4.393  -4.930  -7.117
  481   2HG   ARG  58          2HG       ARG  58  -3.968  -4.917  -8.832
  482   1HD   ARG  58          1HD       ARG  58  -1.606  -5.344  -8.188
  483   2HD   ARG  58          2HD       ARG  58  -2.133  -5.504  -6.514
  484    HE   ARG  58           HE       ARG  58  -3.319  -7.245  -8.559
  485   1HH1  ARG  58          1HH1      ARG  58  -1.309  -6.843  -5.719
  486   2HH1  ARG  58          2HH1      ARG  58  -1.202  -8.540  -5.392
  487   1HH2  ARG  58          1HH2      ARG  58  -3.139  -9.496  -8.153
  488   2HH2  ARG  58          2HH2      ARG  58  -2.217 -10.050  -6.781
  489    H    MET  59           H        MET  59  -4.088  -1.667  -5.483
  490    HA   MET  59           HA       MET  59  -6.219  -3.189  -4.408
  491   1HB   MET  59          1HB       MET  59  -4.587  -0.935  -3.243
  492   2HB   MET  59          2HB       MET  59  -5.800  -1.821  -2.327
  493   1HG   MET  59          1HG       MET  59  -3.311  -2.956  -3.580
  494   2HG   MET  59          2HG       MET  59  -3.605  -2.694  -1.861
  495   1HE   MET  59          1HE       MET  59  -3.628  -6.617  -2.224
  496   2HE   MET  59          2HE       MET  59  -2.861  -5.232  -1.445
  497   3HE   MET  59          3HE       MET  59  -2.648  -5.502  -3.175
  498    H    HIS  60           H        HIS  60  -5.981   0.117  -5.544
  499    HA   HIS  60           HA       HIS  60  -8.344   1.173  -4.519
  500   1HB   HIS  60          1HB       HIS  60  -6.618   1.741  -6.837
  501   2HB   HIS  60          2HB       HIS  60  -8.293   2.245  -7.036
  502    HD1  HIS  60           HD1      HIS  60  -9.175   4.090  -5.429
  503    HD2  HIS  60           HD2      HIS  60  -5.121   3.257  -5.051
  504    HE1  HIS  60           HE1      HIS  60  -8.204   6.021  -4.139
  505    HE2  HIS  60           HE2      HIS  60  -5.714   5.609  -4.134
  506    H    ASP  61           H        ASP  61  -7.819  -0.814  -7.396
  507    HA   ASP  61           HA       ASP  61 -10.584  -0.750  -8.158
  508   1HB   ASP  61          1HB       ASP  61  -8.683  -1.037  -9.769
  509   2HB   ASP  61          2HB       ASP  61  -8.440  -2.653  -9.113
  510    H    LEU  62           H        LEU  62  -8.479  -2.977  -6.423
  511    HA   LEU  62           HA       LEU  62 -10.180  -5.168  -6.149
  512   1HB   LEU  62          1HB       LEU  62  -7.849  -5.167  -5.394
  513   2HB   LEU  62          2HB       LEU  62  -8.243  -4.013  -4.134
  514    HG   LEU  62           HG       LEU  62  -9.897  -5.855  -3.318
  515   1HD1  LEU  62          1HD1      LEU  62  -7.963  -7.472  -4.968
  516   2HD1  LEU  62          2HD1      LEU  62  -9.708  -7.347  -5.201
  517   3HD1  LEU  62          3HD1      LEU  62  -9.062  -8.132  -3.756
  518   1HD2  LEU  62          1HD2      LEU  62  -6.912  -6.118  -2.994
  519   2HD2  LEU  62          2HD2      LEU  62  -8.129  -6.829  -1.932
  520   3HD2  LEU  62          3HD2      LEU  62  -7.979  -5.076  -2.053
  521    H    LEU  63           H        LEU  63  -9.947  -2.212  -4.241
  522    HA   LEU  63           HA       LEU  63 -11.999  -2.865  -2.386
  523   1HB   LEU  63          1HB       LEU  63 -10.988  -0.146  -3.225
  524   2HB   LEU  63          2HB       LEU  63 -11.900  -0.508  -1.771
  525    HG   LEU  63           HG       LEU  63  -9.168  -1.640  -2.352
  526   1HD1  LEU  63          1HD1      LEU  63  -9.009   0.768  -2.170
  527   2HD1  LEU  63          2HD1      LEU  63  -8.343  -0.000  -0.729
  528   3HD1  LEU  63          3HD1      LEU  63  -9.943   0.736  -0.674
  529   1HD2  LEU  63          1HD2      LEU  63  -9.182  -2.181   0.029
  530   2HD2  LEU  63          2HD2      LEU  63 -10.520  -2.963  -0.815
  531   3HD2  LEU  63          3HD2      LEU  63 -10.815  -1.529   0.169
  532    H    ASP  64           H        ASP  64 -11.899  -1.163  -5.457
  533    HA   ASP  64           HA       ASP  64 -14.540  -0.201  -5.488
  534   1HB   ASP  64          1HB       ASP  64 -12.854   0.602  -7.061
  535   2HB   ASP  64          2HB       ASP  64 -12.749  -0.995  -7.794
  536    H    ASN  65           H        ASN  65 -13.138  -3.295  -6.406
  537    HA   ASN  65           HA       ASN  65 -15.524  -4.384  -7.530
  538   1HB   ASN  65          1HB       ASN  65 -13.130  -5.824  -6.360
  539   2HB   ASN  65          2HB       ASN  65 -14.383  -6.562  -7.344
  540   1HD2  ASN  65          1HD2      ASN  65 -14.516  -4.187  -9.115
  541   2HD2  ASN  65          2HD2      ASN  65 -13.106  -4.288 -10.110
  542    H    LYS  66           H        LYS  66 -14.537  -3.738  -4.361
  543    HA   LYS  66           HA       LYS  66 -15.411  -4.121  -2.308
  544   1HB   LYS  66          1HB       LYS  66 -17.793  -5.079  -3.900
  545   2HB   LYS  66          2HB       LYS  66 -17.795  -4.832  -2.161
  546   1HG   LYS  66          1HG       LYS  66 -17.300  -2.457  -2.502
  547   2HG   LYS  66          2HG       LYS  66 -17.332  -2.711  -4.248
  548   1HD   LYS  66          1HD       LYS  66 -19.668  -3.463  -4.075
  549   2HD   LYS  66          2HD       LYS  66 -19.627  -3.149  -2.340
  550   1HE   LYS  66          1HE       LYS  66 -19.221  -0.792  -2.752
  551   2HE   LYS  66          2HE       LYS  66 -19.172  -1.086  -4.490
  552   1HZ   LYS  66          1HZ       LYS  66 -21.312  -0.233  -3.899
  553   2HZ   LYS  66          2HZ       LYS  66 -21.521  -1.417  -2.702
  554   3HZ   LYS  66          3HZ       LYS  66 -21.494  -1.861  -4.341
  555    H    GLN  67           H        GLN  67 -13.748  -6.089  -3.467
  556    HA   GLN  67           HA       GLN  67 -14.773  -8.695  -2.894
  557   1HB   GLN  67          1HB       GLN  67 -11.923  -7.733  -3.228
  558   2HB   GLN  67          2HB       GLN  67 -12.419  -9.418  -3.159
  559   1HG   GLN  67          1HG       GLN  67 -13.263  -7.432  -5.256
  560   2HG   GLN  67          2HG       GLN  67 -12.020  -8.666  -5.448
  561   1HE2  GLN  67          1HE2      GLN  67 -13.467 -10.683  -3.963
  562   2HE2  GLN  67          2HE2      GLN  67 -14.769 -11.199  -4.971
  563    HA   PRO  68           HA       PRO  68 -14.089  -8.872   1.486
  564   1HB   PRO  68          1HB       PRO  68 -13.317 -11.687   1.254
  565   2HB   PRO  68          2HB       PRO  68 -14.759 -10.981   1.987
  566   1HG   PRO  68          1HG       PRO  68 -14.856 -12.391  -0.310
  567   2HG   PRO  68          2HG       PRO  68 -15.944 -11.028   0.015
  568   1HD   PRO  68          1HD       PRO  68 -13.457 -11.110  -1.658
  569   2HD   PRO  68          2HD       PRO  68 -15.017 -10.328  -1.998
  570    H    LEU  69           H        LEU  69 -11.701  -8.503  -0.433
  571    HA   LEU  69           HA       LEU  69  -9.514  -8.033  -0.221
  572   1HB   LEU  69          1HB       LEU  69 -10.063  -8.424   2.717
  573   2HB   LEU  69          2HB       LEU  69  -8.599  -7.723   2.053
  574    HG   LEU  69           HG       LEU  69 -11.386  -6.575   1.968
  575   1HD1  LEU  69          1HD1      LEU  69 -10.036  -6.266   4.028
  576   2HD1  LEU  69          2HD1      LEU  69 -10.429  -4.757   3.204
  577   3HD1  LEU  69          3HD1      LEU  69  -8.815  -5.447   3.052
  578   1HD2  LEU  69          1HD2      LEU  69 -10.436  -4.709   0.690
  579   2HD2  LEU  69          2HD2      LEU  69 -10.364  -6.224  -0.210
  580   3HD2  LEU  69          3HD2      LEU  69  -8.911  -5.585   0.557
  581    HA   PRO  70           HA       PRO  70  -7.095 -11.726  -0.200
  582   1HB   PRO  70          1HB       PRO  70  -4.838 -10.319   1.065
  583   2HB   PRO  70          2HB       PRO  70  -4.951 -11.042  -0.540
  584   1HG   PRO  70          1HG       PRO  70  -4.900  -8.381  -0.183
  585   2HG   PRO  70          2HG       PRO  70  -5.838  -9.140  -1.484
  586   1HD   PRO  70          1HD       PRO  70  -6.769  -8.055   1.145
  587   2HD   PRO  70          2HD       PRO  70  -7.529  -7.937  -0.457
  588    H    GLY  71           H        GLY  71  -6.979  -9.829   2.796
  589   1HA   GLY  71          1HA       GLY  71  -7.944 -10.929   4.756
  590   2HA   GLY  71          2HA       GLY  71  -7.098 -12.387   4.263
  591    H    ALA  72           H        ALA  72  -4.574 -11.532   3.779
  592    HA   ALA  72           HA       ALA  72  -3.682 -10.076   6.145
  593   1HB   ALA  72          1HB       ALA  72  -2.128 -11.824   6.811
  594   2HB   ALA  72          2HB       ALA  72  -2.715 -12.865   5.514
  595   3HB   ALA  72          3HB       ALA  72  -3.783 -12.432   6.849
  596    H    PHE  73           H        PHE  73  -3.290  -8.620   4.345
  597    HA   PHE  73           HA       PHE  73  -1.097  -9.380   2.575
  598   1HB   PHE  73          1HB       PHE  73  -3.160  -8.347   1.629
  599   2HB   PHE  73          2HB       PHE  73  -2.800  -6.881   2.534
  600    HD1  PHE  73           HD1      PHE  73  -1.493  -9.134  -0.100
  601    HD2  PHE  73           HD2      PHE  73  -1.365  -5.263   1.665
  602    HE1  PHE  73           HE1      PHE  73  -0.115  -8.332  -1.972
  603    HE2  PHE  73           HE2      PHE  73   0.014  -4.455  -0.204
  604    HZ   PHE  73           HZ       PHE  73   0.638  -5.987  -2.025
  605    H    ALA  74           H        ALA  74   0.631  -9.301   3.984
  606    HA   ALA  74           HA       ALA  74   1.263  -6.654   5.103
  607   1HB   ALA  74          1HB       ALA  74   2.660  -7.796   6.737
  608   2HB   ALA  74          2HB       ALA  74   2.269  -9.352   6.007
  609   3HB   ALA  74          3HB       ALA  74   1.008  -8.407   6.798
  610    H    VAL  75           H        VAL  75   2.490  -5.664   3.609
  611    HA   VAL  75           HA       VAL  75   4.612  -7.183   2.286
  612    HB   VAL  75           HB       VAL  75   4.908  -5.118   0.896
  613   1HG1  VAL  75          1HG1      VAL  75   3.587  -7.007   0.114
  614   2HG1  VAL  75          2HG1      VAL  75   2.889  -5.485  -0.436
  615   3HG1  VAL  75          3HG1      VAL  75   2.157  -6.354   0.914
  616   1HG2  VAL  75          1HG2      VAL  75   3.121  -3.441   0.926
  617   2HG2  VAL  75          2HG2      VAL  75   3.986  -3.490   2.463
  618   3HG2  VAL  75          3HG2      VAL  75   2.396  -4.241   2.322
  619    H    ALA  76           H        ALA  76   4.269  -5.416   5.038
  620    HA   ALA  76           HA       ALA  76   6.485  -3.717   5.066
  621   1HB   ALA  76          1HB       ALA  76   4.705  -3.645   6.746
  622   2HB   ALA  76          2HB       ALA  76   6.307  -3.726   7.475
  623   3HB   ALA  76          3HB       ALA  76   5.289  -5.165   7.421
  624    HA   PRO  77           HA       PRO  77   9.070  -7.447   6.904
  625   1HB   PRO  77          1HB       PRO  77   7.656  -9.735   5.670
  626   2HB   PRO  77          2HB       PRO  77   8.354  -9.584   7.285
  627   1HG   PRO  77          1HG       PRO  77   5.709  -9.560   6.922
  628   2HG   PRO  77          2HG       PRO  77   6.481  -8.533   8.144
  629   1HD   PRO  77          1HD       PRO  77   5.443  -7.806   5.434
  630   2HD   PRO  77          2HD       PRO  77   5.333  -6.909   6.963
  631    H    TYR  78           H        TYR  78   7.412  -7.639   3.809
  632    HA   TYR  78           HA       TYR  78   9.560  -8.825   2.381
  633   1HB   TYR  78          1HB       TYR  78   7.226  -8.909   1.571
  634   2HB   TYR  78          2HB       TYR  78   7.258  -7.164   1.323
  635    HD1  TYR  78           HD2      TYR  78   8.479 -10.398   0.102
  636    HD2  TYR  78           HD1      TYR  78   8.449  -6.196  -0.559
  637    HE1  TYR  78           HE2      TYR  78   9.391 -10.753  -2.151
  638    HE2  TYR  78           HE1      TYR  78   9.365  -6.540  -2.816
  639    HH   TYR  78           HH       TYR  78  10.780  -8.380  -3.958
  640    H    TYR  79           H        TYR  79   8.447  -5.480   2.793
  641    HA   TYR  79           HA       TYR  79  10.492  -4.429   1.093
  642   1HB   TYR  79          1HB       TYR  79   8.386  -3.223   2.837
  643   2HB   TYR  79          2HB       TYR  79   9.706  -2.211   2.248
  644    HD1  TYR  79           HD1      TYR  79   9.939  -1.715  -0.106
  645    HD2  TYR  79           HD2      TYR  79   6.741  -4.142   1.292
  646    HE1  TYR  79           HE1      TYR  79   8.816  -1.469  -2.276
  647    HE2  TYR  79           HE2      TYR  79   5.606  -3.904  -0.876
  648    HH   TYR  79           HH       TYR  79   7.171  -2.594  -3.630
  649    H    GLU  80           H        GLU  80  10.439  -5.429   4.338
  650    HA   GLU  80           HA       GLU  80  12.613  -3.811   5.241
  651   1HB   GLU  80          1HB       GLU  80  10.964  -5.117   6.691
  652   2HB   GLU  80          2HB       GLU  80  11.885  -6.556   6.271
  653   1HG   GLU  80          1HG       GLU  80  13.887  -5.556   7.252
  654   2HG   GLU  80          2HG       GLU  80  12.953  -4.124   7.687
  655    H    MET  81           H        MET  81  12.315  -6.324   3.040
  656    HA   MET  81           HA       MET  81  15.187  -6.968   3.182
  657   1HB   MET  81          1HB       MET  81  13.025  -8.493   1.721
  658   2HB   MET  81          2HB       MET  81  14.692  -8.995   1.965
  659   1HG   MET  81          1HG       MET  81  14.293  -9.170   4.363
  660   2HG   MET  81          2HG       MET  81  12.625  -8.652   4.126
  661   1HE   MET  81          1HE       MET  81  12.029 -10.164   1.324
  662   2HE   MET  81          2HE       MET  81  10.862 -10.070   2.641
  663   3HE   MET  81          3HE       MET  81  11.249 -11.631   1.917
  664    H    ALA  82           H        ALA  82  12.518  -6.163   1.004
  665    HA   ALA  82           HA       ALA  82  13.990  -5.981  -1.378
  666   1HB   ALA  82          1HB       ALA  82  12.100  -4.695  -2.240
  667   2HB   ALA  82          2HB       ALA  82  11.482  -4.500  -0.600
  668   3HB   ALA  82          3HB       ALA  82  11.555  -6.104  -1.331
  669    H    LEU  83           H        LEU  83  13.366  -3.653   1.174
  670    HA   LEU  83           HA       LEU  83  15.107  -1.709  -0.178
  671   1HB   LEU  83          1HB       LEU  83  12.882  -0.891   0.524
  672   2HB   LEU  83          2HB       LEU  83  13.239  -1.351   2.177
  673    HG   LEU  83           HG       LEU  83  15.095   0.311   2.191
  674   1HD1  LEU  83          1HD1      LEU  83  13.949   1.117  -0.477
  675   2HD1  LEU  83          2HD1      LEU  83  15.536   0.398  -0.201
  676   3HD1  LEU  83          3HD1      LEU  83  15.172   2.005   0.430
  677   1HD2  LEU  83          1HD2      LEU  83  13.647   2.271   2.362
  678   2HD2  LEU  83          2HD2      LEU  83  12.901   0.856   3.106
  679   3HD2  LEU  83          3HD2      LEU  83  12.367   1.401   1.517
  680    H    ALA  84           H        ALA  84  16.746  -0.661   1.170
  681    HA   ALA  84           HA       ALA  84  18.264  -2.561   2.614
  682   1HB   ALA  84          1HB       ALA  84  18.626   0.432   2.486
  683   2HB   ALA  84          2HB       ALA  84  19.283  -0.727   1.332
  684   3HB   ALA  84          3HB       ALA  84  19.829  -0.745   3.009
  685    H    THR  85           H        THR  85  18.735  -2.696   4.800
  686    HA   THR  85           HA       THR  85  16.649  -1.859   6.582
  687    HB   THR  85           HB       THR  85  18.276  -2.928   8.297
  688    HG1  THR  85           HG1      THR  85  20.110  -3.612   7.506
  689   1HG2  THR  85          1HG2      THR  85  16.232  -4.009   7.498
  690   2HG2  THR  85          2HG2      THR  85  17.541  -5.181   7.656
  691   3HG2  THR  85          3HG2      THR  85  17.084  -4.576   6.063
  692    H    ASP  86           H        ASP  86  19.383  -0.410   5.387
  693    HA   ASP  86           HA       ASP  86  20.041   1.204   7.687
  694   1HB   ASP  86          1HB       ASP  86  21.587   0.538   5.711
  695   2HB   ASP  86          2HB       ASP  86  20.770   1.820   4.826
  696    H    HIS  87           H        HIS  87  19.899   3.668   7.415
  697    HA   HIS  87           HA       HIS  87  18.742   5.592   7.063
  698   1HB   HIS  87          1HB       HIS  87  18.923   4.884   4.654
  699   2HB   HIS  87          2HB       HIS  87  17.340   4.139   4.809
  700    HD1  HIS  87           HD1      HIS  87  18.727   7.612   5.602
  701    HD2  HIS  87           HD2      HIS  87  15.506   5.771   3.717
  702    HE1  HIS  87           HE1      HIS  87  17.305   9.477   4.709
  703    HE2  HIS  87           HE2      HIS  87  15.526   8.329   3.351
  704    HA   PRO  88           HA       PRO  88  15.633   3.749   9.882
  705   1HB   PRO  88          1HB       PRO  88  15.783   6.531  10.923
  706   2HB   PRO  88          2HB       PRO  88  15.878   4.994  11.791
  707   1HG   PRO  88          1HG       PRO  88  18.066   6.432  11.379
  708   2HG   PRO  88          2HG       PRO  88  18.109   4.665  11.225
  709   1HD   PRO  88          1HD       PRO  88  18.020   6.754   9.082
  710   2HD   PRO  88          2HD       PRO  88  18.953   5.243   9.146
  711    H    GLN  89           H        GLN  89  15.367   6.488   7.791
  712    HA   GLN  89           HA       GLN  89  12.754   7.332   8.369
  713   1HB   GLN  89          1HB       GLN  89  14.126   7.334   5.676
  714   2HB   GLN  89          2HB       GLN  89  12.747   8.321   6.143
  715   1HG   GLN  89          1HG       GLN  89  15.509   8.474   7.323
  716   2HG   GLN  89          2HG       GLN  89  14.813   9.601   6.162
  717   1HE2  GLN  89          1HE2      GLN  89  15.852  10.038   8.852
  718   2HE2  GLN  89          2HE2      GLN  89  14.564  10.796   9.729
  719    H    ARG  90           H        ARG  90  13.905   4.466   6.886
  720    HA   ARG  90           HA       ARG  90  11.729   3.763   5.261
  721   1HB   ARG  90          1HB       ARG  90  12.524   1.451   5.501
  722   2HB   ARG  90          2HB       ARG  90  13.859   2.557   5.204
  723   1HG   ARG  90          1HG       ARG  90  14.488   2.505   7.521
  724   2HG   ARG  90          2HG       ARG  90  13.070   1.538   7.924
  725   1HD   ARG  90          1HD       ARG  90  13.931  -0.290   6.541
  726   2HD   ARG  90          2HD       ARG  90  15.344   0.685   6.132
  727    HE   ARG  90           HE       ARG  90  16.185   0.359   8.276
  728   1HH1  ARG  90          1HH1      ARG  90  13.060  -1.161   7.891
  729   2HH1  ARG  90          2HH1      ARG  90  13.146  -2.040   9.388
  730   1HH2  ARG  90          1HH2      ARG  90  16.325  -0.805  10.246
  731   2HH2  ARG  90          2HH2      ARG  90  15.000  -1.822  10.740
  732    H    ALA  91           H        ALA  91  12.049   3.872   8.695
  733    HA   ALA  91           HA       ALA  91  10.167   1.929   9.452
  734   1HB   ALA  91          1HB       ALA  91  11.760   2.953  11.007
  735   2HB   ALA  91          2HB       ALA  91  10.101   3.058  11.595
  736   3HB   ALA  91          3HB       ALA  91  10.878   4.478  10.895
  737    H    LEU  92           H        LEU  92   9.797   5.267   8.421
  738    HA   LEU  92           HA       LEU  92   7.101   5.601   9.194
  739   1HB   LEU  92          1HB       LEU  92   8.780   6.925   7.072
  740   2HB   LEU  92          2HB       LEU  92   7.096   7.342   7.311
  741    HG   LEU  92           HG       LEU  92   7.692   7.938   9.698
  742   1HD1  LEU  92          1HD1      LEU  92  10.033   8.438  10.173
  743   2HD1  LEU  92          2HD1      LEU  92  10.501   7.746   8.618
  744   3HD1  LEU  92          3HD1      LEU  92   9.793   6.718   9.865
  745   1HD2  LEU  92          1HD2      LEU  92   9.012   9.491   7.474
  746   2HD2  LEU  92          2HD2      LEU  92   8.609  10.116   9.073
  747   3HD2  LEU  92          3HD2      LEU  92   7.324   9.617   7.971
  748    H    ILE  93           H        ILE  93   8.620   4.414   6.244
  749    HA   ILE  93           HA       ILE  93   6.239   4.100   4.747
  750    HB   ILE  93           HB       ILE  93   8.827   2.562   4.442
  751   1HG1  ILE  93          1HG1      ILE  93   7.979   5.155   3.129
  752   2HG1  ILE  93          2HG1      ILE  93   9.161   5.024   4.426
  753   1HG2  ILE  93          1HG2      ILE  93   8.126   2.301   2.111
  754   2HG2  ILE  93          2HG2      ILE  93   6.621   3.150   2.469
  755   3HG2  ILE  93          3HG2      ILE  93   6.953   1.588   3.220
  756   1HD1  ILE  93          1HD1      ILE  93  10.244   5.268   2.271
  757   2HD1  ILE  93          2HD1      ILE  93   9.416   3.829   1.676
  758   3HD1  ILE  93          3HD1      ILE  93  10.602   3.692   2.974
  759    H    LEU  94           H        LEU  94   8.159   1.886   6.736
  760    HA   LEU  94           HA       LEU  94   6.626  -0.419   6.261
  761   1HB   LEU  94          1HB       LEU  94   8.303   0.311   8.660
  762   2HB   LEU  94          2HB       LEU  94   7.652  -1.286   8.347
  763    HG   LEU  94           HG       LEU  94   9.684   0.167   6.650
  764   1HD1  LEU  94          1HD1      LEU  94  11.188  -1.619   7.376
  765   2HD1  LEU  94          2HD1      LEU  94   9.916  -2.265   8.414
  766   3HD1  LEU  94          3HD1      LEU  94  10.598  -0.672   8.742
  767   1HD2  LEU  94          1HD2      LEU  94   9.803  -1.910   5.367
  768   2HD2  LEU  94          2HD2      LEU  94   8.196  -1.190   5.275
  769   3HD2  LEU  94          3HD2      LEU  94   8.482  -2.580   6.323
  770    H    ALA  95           H        ALA  95   6.404   2.058   8.790
  771    HA   ALA  95           HA       ALA  95   4.378   0.866  10.313
  772   1HB   ALA  95          1HB       ALA  95   5.714   2.789  11.067
  773   2HB   ALA  95          2HB       ALA  95   3.981   3.074  11.233
  774   3HB   ALA  95          3HB       ALA  95   4.871   3.813   9.903
  775    H    GLU  96           H        GLU  96   4.231   2.942   7.469
  776    HA   GLU  96           HA       GLU  96   1.427   3.288   7.412
  777   1HB   GLU  96          1HB       GLU  96   3.259   4.541   6.104
  778   2HB   GLU  96          2HB       GLU  96   3.199   3.195   4.975
  779   1HG   GLU  96          1HG       GLU  96   1.842   4.992   4.152
  780   2HG   GLU  96          2HG       GLU  96   0.802   3.643   4.615
  781    H    LEU  97           H        LEU  97   3.603   0.901   5.992
  782    HA   LEU  97           HA       LEU  97   1.651  -0.549   4.553
  783   1HB   LEU  97          1HB       LEU  97   4.288  -1.504   5.668
  784   2HB   LEU  97          2HB       LEU  97   3.335  -2.334   4.453
  785    HG   LEU  97           HG       LEU  97   4.645   0.366   4.113
  786   1HD1  LEU  97          1HD1      LEU  97   6.104  -0.811   2.531
  787   2HD1  LEU  97          2HD1      LEU  97   5.345  -2.337   2.983
  788   3HD1  LEU  97          3HD1      LEU  97   6.273  -1.426   4.175
  789   1HD2  LEU  97          1HD2      LEU  97   3.116  -1.341   2.149
  790   2HD2  LEU  97          2HD2      LEU  97   3.989   0.141   1.761
  791   3HD2  LEU  97          3HD2      LEU  97   2.584   0.198   2.824
  792    H    GLU  98           H        GLU  98   2.872  -0.789   7.851
  793    HA   GLU  98           HA       GLU  98   1.579  -3.207   8.522
  794   1HB   GLU  98          1HB       GLU  98   2.433  -0.894  10.264
  795   2HB   GLU  98          2HB       GLU  98   1.860  -2.436  10.883
  796   1HG   GLU  98          1HG       GLU  98   3.732  -3.544   9.676
  797   2HG   GLU  98          2HG       GLU  98   4.336  -1.943   9.246
  798    H    LYS  99           H        LYS  99   0.532   0.158   8.646
  799    HA   LYS  99           HA       LYS  99  -1.955  -0.259   9.899
  800   1HB   LYS  99          1HB       LYS  99  -1.077   1.808   7.878
  801   2HB   LYS  99          2HB       LYS  99  -2.624   1.856   8.714
  802   1HG   LYS  99          1HG       LYS  99  -1.566   2.129  10.820
  803   2HG   LYS  99          2HG       LYS  99   0.027   1.829  10.122
  804   1HD   LYS  99          1HD       LYS  99  -0.248   3.865   8.738
  805   2HD   LYS  99          2HD       LYS  99  -1.776   4.181   9.562
  806   1HE   LYS  99          1HE       LYS  99   0.929   3.990  10.880
  807   2HE   LYS  99          2HE       LYS  99   0.073   5.486  10.509
  808   1HZ   LYS  99          1HZ       LYS  99  -0.199   4.816  12.826
  809   2HZ   LYS  99          2HZ       LYS  99  -0.910   3.356  12.340
  810   3HZ   LYS  99          3HZ       LYS  99  -1.686   4.829  12.012
  811    H    LEU 100           H        LEU 100  -0.987  -0.257   6.508
  812    HA   LEU 100           HA       LEU 100  -3.470  -0.761   5.344
  813   1HB   LEU 100          1HB       LEU 100  -1.268  -0.147   4.226
  814   2HB   LEU 100          2HB       LEU 100  -0.834  -1.840   4.357
  815    HG   LEU 100           HG       LEU 100  -2.816  -2.419   2.977
  816   1HD1  LEU 100          1HD1      LEU 100  -3.933  -0.629   1.726
  817   2HD1  LEU 100          2HD1      LEU 100  -3.047   0.572   2.666
  818   3HD1  LEU 100          3HD1      LEU 100  -4.206  -0.492   3.462
  819   1HD2  LEU 100          1HD2      LEU 100  -1.859  -1.686   0.868
  820   2HD2  LEU 100          2HD2      LEU 100  -0.585  -2.166   1.989
  821   3HD2  LEU 100          3HD2      LEU 100  -0.912  -0.456   1.703
  822    H    ASP 101           H        ASP 101  -0.995  -2.990   6.539
  823    HA   ASP 101           HA       ASP 101  -2.159  -5.427   5.896
  824   1HB   ASP 101          1HB       ASP 101   0.023  -5.548   6.720
  825   2HB   ASP 101          2HB       ASP 101  -0.341  -4.529   8.109
  826    H    ALA 102           H        ALA 102  -2.618  -3.446   8.804
  827    HA   ALA 102           HA       ALA 102  -4.324  -5.218  10.168
  828   1HB   ALA 102          1HB       ALA 102  -3.175  -3.348  11.255
  829   2HB   ALA 102          2HB       ALA 102  -4.914  -3.307  11.555
  830   3HB   ALA 102          3HB       ALA 102  -4.198  -2.211  10.372
  831    H    LEU 103           H        LEU 103  -4.925  -2.782   7.735
  832    HA   LEU 103           HA       LEU 103  -7.743  -2.655   8.078
  833   1HB   LEU 103          1HB       LEU 103  -6.132  -1.994   5.615
  834   2HB   LEU 103          2HB       LEU 103  -7.754  -1.439   5.983
  835    HG   LEU 103           HG       LEU 103  -5.270  -0.707   7.536
  836   1HD1  LEU 103          1HD1      LEU 103  -5.538   1.495   6.570
  837   2HD1  LEU 103          2HD1      LEU 103  -6.933   0.937   5.642
  838   3HD1  LEU 103          3HD1      LEU 103  -5.328   0.285   5.303
  839   1HD2  LEU 103          1HD2      LEU 103  -7.285  -0.760   8.925
  840   2HD2  LEU 103          2HD2      LEU 103  -8.099   0.305   7.779
  841   3HD2  LEU 103          3HD2      LEU 103  -6.702   0.888   8.686
  842    H    PHE 104           H        PHE 104  -5.611  -4.545   5.986
  843    HA   PHE 104           HA       PHE 104  -7.712  -5.748   4.493
  844   1HB   PHE 104          1HB       PHE 104  -4.810  -6.451   4.876
  845   2HB   PHE 104          2HB       PHE 104  -5.889  -7.468   3.926
  846    HD1  PHE 104           HD1      PHE 104  -7.285  -6.147   2.112
  847    HD2  PHE 104           HD2      PHE 104  -3.600  -4.846   3.779
  848    HE1  PHE 104           HE1      PHE 104  -6.895  -4.740   0.133
  849    HE2  PHE 104           HE2      PHE 104  -3.203  -3.431   1.809
  850    HZ   PHE 104           HZ       PHE 104  -4.850  -3.378  -0.018
  851    H    ALA 105           H        ALA 105  -6.494  -6.278   7.626
  852    HA   ALA 105           HA       ALA 105  -7.416  -9.038   7.737
  853   1HB   ALA 105          1HB       ALA 105  -5.305  -8.446   8.821
  854   2HB   ALA 105          2HB       ALA 105  -6.483  -9.058   9.982
  855   3HB   ALA 105          3HB       ALA 105  -6.165  -7.326   9.878
  856    H    ASP 106           H        ASP 106  -8.792  -6.028   8.068
  857    HA   ASP 106           HA       ASP 106 -10.541  -6.733  10.282
  858   1HB   ASP 106          1HB       ASP 106  -9.739  -4.422  10.135
  859   2HB   ASP 106          2HB       ASP 106 -10.496  -4.251   8.553
  860    H    ASP 107           H        ASP 107 -10.755  -6.259   6.784
  861    HA   ASP 107           HA       ASP 107 -13.614  -6.792   6.853
  862   1HB   ASP 107          1HB       ASP 107 -12.656  -5.047   5.333
  863   2HB   ASP 107          2HB       ASP 107 -11.862  -6.336   4.433
  864    H    ALA 108           H        ALA 108 -14.323  -8.771   6.888
  865    HA   ALA 108           HA       ALA 108 -13.437 -10.752   5.040
  866   1HB   ALA 108          1HB       ALA 108 -12.675 -12.409   6.659
  867   2HB   ALA 108          2HB       ALA 108 -12.880 -11.245   7.968
  868   3HB   ALA 108          3HB       ALA 108 -11.659 -10.969   6.726
  869    H    SER 109           H        SER 109 -14.555 -12.941   5.767
  870    HA   SER 109           HA       SER 109 -17.316 -12.229   6.402
  871   1HB   SER 109          1HB       SER 109 -16.845 -13.509   4.314
  872   2HB   SER 109          2HB       SER 109 -16.193 -14.820   5.295
  873    HG   SER 109           HG       SER 109 -18.695 -14.434   4.602
  874    H    LEU 110           H        LEU 110 -18.450 -14.222   7.566
  875    HA   LEU 110           HA       LEU 110 -17.123 -14.506  10.119
  876   1HB   LEU 110          1HB       LEU 110 -19.762 -15.608   9.142
  877   2HB   LEU 110          2HB       LEU 110 -19.192 -15.659  10.798
  878    HG   LEU 110           HG       LEU 110 -19.813 -13.142   9.250
  879   1HD1  LEU 110          1HD1      LEU 110 -21.821 -14.417   9.756
  880   2HD1  LEU 110          2HD1      LEU 110 -21.738 -12.959  10.745
  881   3HD1  LEU 110          3HD1      LEU 110 -21.340 -14.527  11.448
  882   1HD2  LEU 110          1HD2      LEU 110 -19.552 -12.017  11.399
  883   2HD2  LEU 110          2HD2      LEU 110 -18.058 -12.823  10.922
  884   3HD2  LEU 110          3HD2      LEU 110 -19.094 -13.544  12.152
  885    H    GLU 111           H        GLU 111 -17.131 -16.116   7.219
  886    HA   GLU 111           HA       GLU 111 -16.682 -18.757   8.367
  887   1HB   GLU 111          1HB       GLU 111 -16.866 -17.857   5.488
  888   2HB   GLU 111          2HB       GLU 111 -16.705 -19.526   6.027
  889   1HG   GLU 111          1HG       GLU 111 -18.842 -19.373   7.180
  890   2HG   GLU 111          2HG       GLU 111 -19.004 -17.693   6.672
  891    H    HIS 112           H        HIS 112 -14.824 -20.015   7.325
  892    HA   HIS 112           HA       HIS 112 -12.478 -18.435   7.997
  893   1HB   HIS 112          1HB       HIS 112 -12.817 -21.415   7.624
  894   2HB   HIS 112          2HB       HIS 112 -11.344 -20.623   8.177
  895    HD1  HIS 112           HD1      HIS 112 -14.808 -21.540   9.291
  896    HD2  HIS 112           HD2      HIS 112 -11.384 -19.746  10.840
  897    HE1  HIS 112           HE1      HIS 112 -15.174 -21.402  11.775
  898    HE2  HIS 112           HE2      HIS 112 -13.170 -20.169  12.668
  899    H    HIS 113           H        HIS 113 -14.028 -19.128   5.202
  900    HA   HIS 113           HA       HIS 113 -11.525 -18.856   3.682
  901   1HB   HIS 113          1HB       HIS 113 -13.903 -20.595   3.048
  902   2HB   HIS 113          2HB       HIS 113 -12.803 -20.049   1.787
  903    HD1  HIS 113           HD1      HIS 113 -13.348 -23.011   3.353
  904    HD2  HIS 113           HD2      HIS 113  -9.947 -20.620   3.157
  905    HE1  HIS 113           HE1      HIS 113 -11.411 -24.543   3.815
  906    HE2  HIS 113           HE2      HIS 113  -9.386 -23.046   3.858
  907    H    HIS 114           H        HIS 114 -11.523 -17.382   2.037
  908    HA   HIS 114           HA       HIS 114 -13.426 -15.261   2.281
  909   1HB   HIS 114          1HB       HIS 114 -11.197 -15.690   0.279
  910   2HB   HIS 114          2HB       HIS 114 -12.146 -14.213   0.405
  911    HD1  HIS 114           HD1      HIS 114 -11.312 -12.485   2.032
  912    HD2  HIS 114           HD2      HIS 114  -9.603 -16.224   2.661
  913    HE1  HIS 114           HE1      HIS 114  -9.563 -12.143   3.797
  914    HE2  HIS 114           HE2      HIS 114  -8.376 -14.362   3.960
  915    H    HIS 115           H        HIS 115 -12.814 -17.780  -0.106
  916    HA   HIS 115           HA       HIS 115 -15.562 -17.484  -1.030
  917   1HB   HIS 115          1HB       HIS 115 -14.016 -16.099  -2.534
  918   2HB   HIS 115          2HB       HIS 115 -13.319 -17.631  -3.049
  919    HD1  HIS 115           HD1      HIS 115 -16.332 -15.488  -3.405
  920    HD2  HIS 115           HD2      HIS 115 -15.014 -19.223  -4.670
  921    HE1  HIS 115           HE1      HIS 115 -17.932 -16.199  -5.217
  922    HE2  HIS 115           HE2      HIS 115 -17.221 -18.537  -5.832
  923    H    HIS 116           H        HIS 116 -16.471 -19.424  -1.261
  924    HA   HIS 116           HA       HIS 116 -14.817 -21.770  -0.813
  925   1HB   HIS 116          1HB       HIS 116 -17.813 -21.451  -1.061
  926   2HB   HIS 116          2HB       HIS 116 -16.999 -22.972  -0.713
  927    HD1  HIS 116           HD1      HIS 116 -15.473 -22.875   1.575
  928    HD2  HIS 116           HD2      HIS 116 -18.502 -20.062   1.138
  929    HE1  HIS 116           HE1      HIS 116 -15.954 -22.026   3.892
  930    HE2  HIS 116           HE2      HIS 116 -17.973 -20.540   3.621
  931    H    HIS 117           H        HIS 117 -15.959 -23.792  -2.080
  932    HA   HIS 117           HA       HIS 117 -15.862 -23.088  -4.940
  933   1HB   HIS 117          1HB       HIS 117 -14.634 -25.531  -3.634
  934   2HB   HIS 117          2HB       HIS 117 -14.657 -25.195  -5.361
  935    HD1  HIS 117           HD1      HIS 117 -12.353 -25.146  -2.768
  936    HD2  HIS 117           HD2      HIS 117 -13.415 -22.342  -5.649
  937    HE1  HIS 117           HE1      HIS 117 -10.419 -23.547  -2.901
  938    HE2  HIS 117           HE2      HIS 117 -11.166 -21.760  -4.517