*HEADER    HYDROLASE                               12-SEP-02   1IYY              
*TITLE     NMR STRUCTURE OF GLN25-RIBONUCLEASE T1, 24 STRUCTURES                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RIBONUCLEASE T1;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: GUANYLORIBONUCLEASE, RNASE T1;                              
*COMPND   5 EC: 3.1.27.3;                                                        
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ASPERGILLUS ORYZAE;                             
*SOURCE   3 ORGANISM_COMMON: EUROTIUM ORYZAE                                     
*KEYWDS    RIBONUCLEASE, ENDONUCLEASE, ENDORIBONUCLEASE                          
*EXPDTA    NMR, 24 STRUCTURES                                                    
*AUTHOR    K.HATANO, M.KOJIMA, E.SUZUKI, M.TANOKURA, K.TAKAHASHI                 
*REVDAT   1   07-OCT-03 1IYY    0                                                

assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 4.0 2.2 1.0
assign (resid   13 and  name HN   )(resid   12 and  name HA   ) 2.5 0.7 0.2
assign (resid   13 and  name HN   )(resid   12 and  name HB2  ) 4.0 2.2 1.0
assign (resid   13 and  name HN   )(resid   12 and  name HB1  ) 4.0 2.2 1.0
assign (resid   13 and  name HN   )(resid    3 and  name HN   ) 4.0 2.2 1.0
assign (resid   33 and  name HN   )(resid   38 and  name HN   ) 4.0 2.2 1.0
assign (resid   33 and  name HN   )(resid   32 and  name HB   ) 2.5 0.7 0.2
assign (resid   33 and  name HN   )(resid   32 and  name HA   ) 2.5 0.7 1.0 !
assign (resid   77 and  name HN   )(resid   90 and  name HG2# ) 4.0 3.7 2.5
assign (resid   77 and  name HN   )(resid   76 and  name HN   ) 4.0 2.2 1.0
assign (resid   77 and  name HN   )(resid   76 and  name HA   ) 3.0 1.2 0.5
assign (resid   77 and  name HN   )(resid   76 and  name HB2  ) 4.0 2.2 1.0
assign (resid   77 and  name HN   )(resid   76 and  name HB1  ) 4.0 2.2 1.0
assign (resid   91 and  name HN   )(resid   90 and  name HA   ) 3.0 1.2 0.5
assign (resid   91 and  name HN   )(resid   90 and  name HB   ) 3.0 1.2 0.5
assign (resid   91 and  name HN   )(resid  100 and  name HD#  ) 4.0 4.2 3.0
assign (resid   12 and  name HN   )(resid   15 and  name HB2  ) 4.0 2.2 1.0
assign (resid    7 and  name HN   )(resid    6 and  name HB2  ) 3.0 1.2 0.5
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 4.0 2.2 1.0
assign (resid   91 and  name HN   )(resid   90 and  name HG2# ) 4.0 3.7 2.5
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 2.5 0.7 0.2
assign (resid   91 and  name HN   )(resid   90 and  name HD#  ) 4.0 4.2 3.0
assign (resid   91 and  name HN   )(resid  103 and  name HN   ) 4.0 2.2 1.0
assign (resid   12 and  name HN   )(resid   15 and  name HN   ) 4.0 2.2 1.0
assign (resid  101 and  name HN   )(resid  100 and  name HA   ) 3.0 1.2 0.5
assign (resid  101 and  name HN   )(resid  100 and  name HD#  ) 4.0 4.2 3.0
assign (resid   93 and  name HN   )(resid   92 and  name HB#  ) 4.0 3.2 2.0
assign (resid   93 and  name HN   )(resid   92 and  name HA   ) 4.0 2.2 1.0
assign (resid   93 and  name HN   )(resid   91 and  name HA   ) 4.0 2.2 1.0 !
assign (resid   93 and  name HN   )(resid   94 and  name HN   ) 4.0 2.2 1.0
assign (resid   51 and  name HN   )(resid   50 and  name HN   ) 4.0 2.2 1.0
assign (resid   51 and  name HN   )(resid   50 and  name HD#  ) 3.0 3.2 2.5
assign (resid   51 and  name HN   )(resid   50 and  name HA   ) 2.5 0.7 0.2
assign (resid   51 and  name HN   )(resid   52 and  name HN   ) 3.0 1.2 0.5
assign (resid   51 and  name HN   )(resid   50 and  name HB2  ) 3.0 1.2 0.5
assign (resid   92 and  name HN   )(resid   91 and  name HA   ) 3.0 1.2 0.5
assign (resid   41 and  name HN   )(resid   40 and  name HB2  ) 3.0 1.2 0.5
assign (resid   68 and  name HN   )(resid   67 and  name HB   ) 4.0 2.2 1.0
assign (resid   68 and  name HN   )(resid   67 and  name HG2# ) 4.0 3.7 2.5
assign (resid   68 and  name HN   )(resid   67 and  name HG1# ) 3.0 2.7 2.0 
assign (resid   41 and  name HN   )(resid   40 and  name HB#  ) 4.0 2.2 2.0
assign (resid   41 and  name HN   )(resid   40 and  name HA   ) 2.5 0.7 0.2
assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 2.5 0.7 0.2
assign (resid   11 and  name HN   )(resid    4 and  name HN   ) 4.0 2.2 1.0
assign (resid   11 and  name HN   )(resid   10 and  name HB2  ) 4.0 2.2 1.0 
assign (resid   35 and  name HN   )(resid   34 and  name HA2  ) 3.0 1.2 0.5
assign (resid   35 and  name HN   )(resid   34 and  name HN   ) 4.0 2.2 1.0
assign (resid   35 and  name HN   )(resid   34 and  name HA1  ) 3.0 1.2 0.5
assign (resid   35 and  name HN   )(resid   36 and  name HN   ) 4.0 2.2 1.0
assign (resid   68 and  name HN   )(resid   67 and  name HA   ) 2.5 0.7 0.2
assign (resid   35 and  name HN   )(resid   33 and  name HA   ) 4.0 2.2 1.0
assign (resid    5 and  name HN   )(resid    4 and  name HB1  ) 4.0 2.2 1.0
assign (resid    5 and  name HN   )(resid    4 and  name HB2  ) 4.0 2.2 1.0
assign (resid   51 and  name HN   )(resid   52 and  name HA   ) 4.0 2.2 1.0 !
assign (resid   87 and  name HN   )(resid   86 and  name HN   ) 4.0 2.2 1.0
assign (resid   87 and  name HN   )(resid   86 and  name HB#  ) 4.0 3.2 2.0
assign (resid   87 and  name HN   )(resid   86 and  name HA   ) 3.0 1.2 0.5
assign (resid   87 and  name HN   )(resid   80 and  name HA   ) 3.0 1.2 0.5
assign (resid   87 and  name HN   )(resid   88 and  name HN   ) 3.0 1.2 0.5
assign (resid   87 and  name HN   )(resid   86 and  name HN   ) 4.0 2.2 1.0
assign (resid   20 and  name HN   )(resid   19 and  name HB#  ) 2.5 2.2 1.7
assign (resid   20 and  name HN   )(resid   17 and  name HA   ) 3.0 1.2 0.5
assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 3.0 1.2 0.5
assign (resid   20 and  name HN   )(resid   19 and  name HN   ) 3.0 1.2 0.5
assign (resid   20 and  name HN   )(resid   19 and  name HA   ) 4.0 2.2 1.0
assign (resid   78 and  name HN   )(resid   77 and  name HA   ) 4.0 2.2 1.0
assign (resid   78 and  name HN   )(resid   77 and  name HB#  ) 4.0 3.2 2.0
assign (resid   78 and  name HN   )(resid   59 and  name HN   ) 4.0 2.2 1.0
assign (resid   63 and  name HN   )(resid   61 and  name HD#  ) 4.0 3.7 2.5
assign (resid   63 and  name HN   )(resid   62 and  name HG   ) 4.0 2.2 1.0 !
assign (resid   63 and  name HN   )(resid   62 and  name HA   ) 2.5 0.7 0.2
assign (resid   63 and  name HN   )(resid   62 and  name HN   ) 4.0 2.2 1.0
assign (resid   63 and  name HN   )(resid   64 and  name HN   ) 4.0 2.2 1.0
assign (resid   63 and  name HN   )(resid   62 and  name HD2# ) 4.0 3.7 2.5
assign (resid   63 and  name HN   )(resid   62 and  name HB1  ) 4.0 2.2 1.0
assign (resid   63 and  name HN   )(resid   62 and  name HB2  ) 4.0 2.2 1.0
assign (resid    8 and  name HN   )(resid    7 and  name HA#  ) 3.0 2.2 1.5
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 2.5 0.7 0.2
assign (resid    8 and  name HN   )(resid    7 and  name HA1  ) 3.0 1.2 0.5
assign (resid   53 and  name HN   )(resid   52 and  name HG1# ) 4.0 3.7 2.5
assign (resid   53 and  name HN   )(resid   52 and  name HB   ) 3.0 1.2 0.5
assign (resid   53 and  name HN   )(resid   52 and  name HA   ) 4.0 2.2 1.0
assign (resid   53 and  name HN   )(resid   52 and  name HG2# ) 4.0 3.7 2.5
assign (resid    6 and  name HN   )(resid    5 and  name HG2# ) 3.0 2.7 2.0
assign (resid    6 and  name HN   )(resid    5 and  name HA   ) 2.5 0.7 0.2
assign (resid  100 and  name HN   )(resid   99 and  name HA   ) 2.5 0.7 0.2 
assign (resid   46 and  name HN   )(resid   45 and  name HA   ) 4.0 2.2 1.0
assign (resid   46 and  name HN   )(resid   47 and  name HN   ) 3.0 1.2 0.5
assign (resid   46 and  name HN   )(resid   45 and  name HN   ) 3.0 1.2 0.5
assign (resid  100 and  name HN   )(resid   99 and  name HB#  ) 4.0 3.2 2.0
assign (resid   57 and  name HN   )(resid   56 and  name HB#  ) 4.0 3.2 2.0
assign (resid   57 and  name HN   )(resid   81 and  name HA   ) 4.0 2.2 1.0
assign (resid   58 and  name HN   )(resid   40 and  name HN   ) 4.0 2.2 1.0
assign (resid   57 and  name HN   )(resid   80 and  name HN   ) 4.0 2.2 1.0
assign (resid   94 and  name HN   )(resid   93 and  name HG2# ) 2.5 2.2 1.7
assign (resid   94 and  name HN   )(resid   95 and  name HN   ) 2.5 0.7 0.2
assign (resid   94 and  name HN   )(resid   93 and  name HA   ) 3.0 1.2 0.5
assign (resid   38 and  name HN   )(resid   37 and  name HA   ) 3.0 1.2 0.5
assign (resid   38 and  name HN   )(resid   37 and  name HB#  ) 3.0 2.2 1.5
assign (resid   38 and  name HN   )(resid   37 and  name HN   ) 4.0 2.2 1.0
assign (resid   42 and  name HN   )(resid   41 and  name HA   ) 3.0 1.2 0.5
assign (resid   42 and  name HN   )(resid   41 and  name HB#  ) 4.0 3.2 2.0
assign (resid   76 and  name HN   )(resid   75 and  name HB#  ) 3.0 2.7 2.0
assign (resid   49 and  name HN   )(resid   48 and  name HA   ) 2.5 0.7 0.2
assign (resid   90 and  name HN   )(resid   89 and  name HB   ) 4.0 2.2 1.0
assign (resid   49 and  name HN   )(resid   48 and  name HB#  ) 4.0 3.2 2.0
assign (resid   90 and  name HN   )(resid   89 and  name HA   ) 3.0 1.2 0.5
assign (resid   90 and  name HN   )(resid   89 and  name HG1# ) 3.0 2.7 2.0
assign (resid   90 and  name HN   )(resid   89 and  name HG2# ) 4.0 3.7 2.5
assign (resid  102 and  name HN   )(resid  101 and  name HB   ) 4.0 2.2 1.0
assign (resid  102 and  name HN   )(resid  101 and  name HG1# ) 3.0 2.7 2.0
assign (resid   34 and  name HN   )(resid   33 and  name HB   ) 2.5 0.7 0.2
assign (resid   75 and  name HN   )(resid   74 and  name HN   ) 4.0 2.2 1.0
assign (resid   75 and  name HN   )(resid   74 and  name HA#  ) 3.0 2.2 1.5
assign (resid   98 and  name HN   )(resid   97 and  name HA#  ) 2.5 1.7 1.2
assign (resid   98 and  name HN   )(resid   99 and  name HN   ) 3.0 1.2 0.5
assign (resid   34 and  name HN   )(resid   33 and  name HG1# ) 4.0 3.7 2.5
assign (resid   97 and  name HN   )(resid   96 and  name HA   ) 2.5 0.7 0.2
assign (resid   67 and  name HN   )(resid   66 and  name HB#  ) 4.0 3.2 2.0
assign (resid   67 and  name HN   )(resid   66 and  name HA   ) 4.0 2.2 1.0
assign (resid   24 and  name HN   )(resid   21 and  name HA   ) 3.0 1.2 0.5
assign (resid   17 and  name HN   )(resid   13 and  name HA   ) 4.0 2.2 1.0
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HN   )(resid   16 and  name HN   ) 3.0 1.2 0.5
assign (resid   17 and  name HN   )(resid   16 and  name HB   ) 3.0 1.2 0.5
assign (resid   17 and  name HN   )(resid   16 and  name HG1# ) 3.0 2.7 2.0
assign (resid   17 and  name HN   )(resid   14 and  name HA   ) 4.0 2.2 1.0
assign (resid   24 and  name HN   )(resid   22 and  name HN   ) 4.0 2.2 1.0
assign (resid   24 and  name HN   )(resid   25 and  name HN   ) 3.0 1.2 0.5
assign (resid   36 and  name HN   )(resid   35 and  name HA   ) 4.0 2.2 1.0
assign (resid   36 and  name HN   )(resid   37 and  name HN   ) 3.0 1.2 0.5
assign (resid    2 and  name HN   )(resid    1 and  name HB#  ) 2.5 2.2 1.7
assign (resid    2 and  name HN   )(resid    1 and  name HA   ) 2.5 0.7 0.2
assign (resid   81 and  name HN   )(resid   83 and  name HN   ) 3.0 1.2 0.5
assign (resid   81 and  name HN   )(resid   80 and  name HA   ) 2.5 0.7 0.2
assign (resid   81 and  name HN   )(resid   80 and  name HB1  ) 3.0 1.2 0.5
assign (resid   81 and  name HN   )(resid   85 and  name HN   ) 4.0 2.2 1.0
assign (resid   81 and  name HN   )(resid   82 and  name HN   ) 2.5 0.7 0.2
assign (resid   81 and  name HN   )(resid   80 and  name HB2  ) 4.0 2.2 1.0
assign (resid   43 and  name HN   )(resid   42 and  name HA   ) 2.5 0.7 0.2
assign (resid   45 and  name HN   )(resid   42 and  name HD#  ) 4.0 4.2 3.0
assign (resid   45 and  name HN   )(resid   44 and  name HN   ) 3.0 1.2 2.0 !
assign (resid   43 and  name HN   )(resid   44 and  name HN   ) 3.0 1.2 0.5
assign (resid   45 and  name HN   )(resid   44 and  name HB#  ) 3.0 2.2 1.5
assign (resid   28 and  name HN   )(resid   27 and  name HA   ) 3.0 1.2 0.5
assign (resid   28 and  name HN   )(resid   27 and  name HB#  ) 4.0 3.2 2.0
assign (resid  104 and  name HN   )(resid  103 and  name HA   ) 4.0 2.2 1.0
assign (resid   28 and  name HN   )(resid   27 and  name HN   ) 3.0 1.2 0.5
assign (resid   28 and  name HN   )(resid   25 and  name HA   ) 4.0 2.2 1.0
assign (resid   28 and  name HN   )(resid   29 and  name HN   ) 3.0 1.2 0.5
assign (resid   28 and  name HN   )(resid   27 and  name HD#  ) 4.0 3.2 2.0
assign (resid    3 and  name HN   )(resid    4 and  name HD#  ) 4.0 4.2 3.0
assign (resid   59 and  name HN   )(resid   58 and  name HA   ) 2.5 0.7 0.2
assign (resid  104 and  name HN   )(resid  103 and  name HA   ) 2.5 0.7 0.2
assign (resid   86 and  name HN   )(resid   85 and  name HA   ) 3.0 1.2 0.5 !
assign (resid    3 and  name HN   )(resid    2 and  name HA   ) 2.5 0.7 0.2
assign (resid   86 and  name HN   )(resid   85 and  name HG#  ) 2.5 1.7 1.2
assign (resid   86 and  name HN   )(resid   85 and  name HB1  ) 4.0 2.2 1.0
assign (resid   86 and  name HN   )(resid   85 and  name HB2  ) 3.0 1.2 0.5
assign (resid    3 and  name HN   )(resid    2 and  name HB#  ) 4.0 3.2 2.0
assign (resid   86 and  name HN   )(resid   85 and  name HN   ) 4.0 2.2 1.0
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 2.5 0.7 0.4
assign (resid   18 and  name HN   )(resid   17 and  name HA   ) 4.0 2.2 1.0
assign (resid   96 and  name HN   )(resid   95 and  name HA   ) 2.5 0.7 0.2
assign (resid   96 and  name HN   )(resid   95 and  name HN   ) 4.0 2.2 1.0
assign (resid   96 and  name HN   )(resid   95 and  name HB#  ) 2.5 2.2 1.7    
assign (resid   96 and  name HN   )(resid   99 and  name HB#  ) 4.0 3.2 2.0 
assign (resid    4 and  name HN   )(resid    3 and  name HB2  ) 4.0 2.2 1.0
assign (resid    4 and  name HN   )(resid    3 and  name HA   ) 4.0 2.2 1.0
assign (resid   48 and  name HN   )(resid   47 and  name HA1  ) 4.0 2.2 1.0
assign (resid   48 and  name HN   )(resid   47 and  name HN   ) 3.0 1.2 0.5
assign (resid   48 and  name HN   )(resid   47 and  name HA2  ) 4.0 2.2 1.0
assign (resid   10 and  name HN   )(resid    9 and  name HB#  ) 4.0 3.2 2.0
assign (resid   48 and  name HN   )(resid   49 and  name HA   ) 4.0 2.2 1.0
assign (resid   14 and  name HN   )(resid   13 and  name HB#  ) 3.0 2.2 1.5
assign (resid   14 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 1.0    
assign (resid   14 and  name HN   )(resid   13 and  name HA   ) 4.0 2.2 1.0 
assign (resid   15 and  name HN   )(resid   14 and  name HB#  ) 3.0 2.2 1.5
assign (resid   79 and  name HN   )(resid   86 and  name HD1# ) 4.0 3.7 2.5
assign (resid   79 and  name HN   )(resid   78 and  name HG2# ) 4.0 3.7 2.5
assign (resid   79 and  name HN   )(resid   78 and  name HA   ) 3.0 1.2 0.5   
assign (resid   79 and  name HN   )(resid   88 and  name HN   ) 4.0 2.2 1.0
assign (resid   79 and  name HN   )(resid   78 and  name HG1# ) 3.0 2.7 2.0 
assign (resid   62 and  name HN   )(resid   61 and  name HD#  ) 3.0 2.7 2.0
assign (resid   79 and  name HN   )(resid   78 and  name HB   ) 4.0 2.2 1.0
assign (resid   15 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 1.0
assign (resid   15 and  name HN   )(resid   16 and  name HA   ) 4.0 2.2 1.0
assign (resid   84 and  name HN   )(resid   83 and  name HB#  ) 3.0 2.2 1.5
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 2.5 0.7 0.2 
assign (resid   84 and  name HN   )(resid   83 and  name HB2  ) 4.0 2.2 1.0    
assign (resid   84 and  name HN   )(resid   85 and  name HN   ) 2.5 0.7 0.2 
assign (resid   84 and  name HN   )(resid   83 and  name HA   ) 4.0 2.2 1.0
assign (resid   84 and  name HN   )(resid   83 and  name HN   ) 2.5 0.7 0.2
assign (resid   80 and  name HN   )(resid   79 and  name HA   ) 2.5 0.7 0.2    
assign (resid   69 and  name HN   )(resid   68 and  name HB#  ) 4.0 3.2 2.0 
assign (resid   80 and  name HN   )(resid   79 and  name HG1# ) 3.0 2.7 2.0 
assign (resid   15 and  name HN   )(resid   14 and  name HA   ) 4.0 2.2 1.0
assign (resid   69 and  name HN   )(resid   68 and  name HA   ) 2.5 0.7 0.2
assign (resid   56 and  name HN   )(resid   55 and  name HA   ) 4.0 2.2 1.0
assign (resid   56 and  name HN   )(resid   55 and  name HA   ) 2.5 0.7 0.2
assign (resid   56 and  name HN   )(resid   54 and  name HB2  ) 4.0 2.2 1.0
assign (resid   32 and  name HN   )(resid   31 and  name HB2  ) 3.0 1.2 0.5 
assign (resid   56 and  name HN   )(resid   54 and  name HA   ) 4.0 2.2 1.0
assign (resid   32 and  name HN   )(resid   31 and  name HG#  ) 3.0 2.2 1.5 
assign (resid   32 and  name HN   )(resid   31 and  name HB1  ) 4.0 2.2 1.0
assign (resid   56 and  name HN   )(resid   55 and  name HB#  ) 3.0 2.2 1.5 
assign (resid   56 and  name HN   )(resid   57 and  name HD#  ) 4.0 4.2 3.0
assign (resid   56 and  name HN   )(resid   57 and  name HE#  ) 4.0 4.2 3.0
assign (resid   40 and  name HN   )(resid   39 and  name HA   ) 3.0 1.2 0.5 
assign (resid   40 and  name HN   )(resid   39 and  name HB#  ) 4.0 3.2 2.0
assign (resid   40 and  name HN   )(resid   38 and  name HA   ) 4.0 2.2 1.0
assign (resid   89 and  name HN   )(resid   88 and  name HN   ) 4.0 2.2 1.0
!assign (resid   89 and  name HN   )(resid   86 and  name HG   ) 4.0 2.2 1.0
assign (resid   89 and  name HN   )(resid   90 and  name HG2# ) 4.0 3.7 2.5
assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 4.0 2.2 1.0
assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 4.0 2.2 1.0
assign (resid   21 and  name HN   )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   21 and  name HN   )(resid   20 and  name HA   ) 4.0 2.2 1.0
assign (resid   21 and  name HN   )(resid   17 and  name HA   ) 4.0 2.2 1.0
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 2.5 0.7 0.2
assign (resid   21 and  name HN   )(resid   20 and  name HB#  ) 3.0 2.2 1.5 
assign (resid   21 and  name HN   )(resid   18 and  name HA   ) 3.0 1.2 0.5 
assign (resid   54 and  name HN   )(resid   53 and  name HA   ) 2.5 0.7 0.2
assign (resid   31 and  name HN   )(resid   30 and  name HN   ) 3.0 1.2 0.5 
assign (resid   31 and  name HN   )(resid   29 and  name HB2  ) 4.0 2.2 1.0
assign (resid   21 and  name HN   )(resid   20 and  name HB#  ) 4.0 3.2 2.0
assign (resid   65 and  name HN   )(resid   64 and  name HA   ) 4.0 2.2 1.0
assign (resid   65 and  name HN   )(resid   64 and  name HN   ) 4.0 2.2 1.0
assign (resid   65 and  name HN   )(resid   66 and  name HN   ) 3.0 1.2 0.5 
assign (resid   16 and  name HN   )(resid   13 and  name HA   ) 4.0 2.2 1.0
assign (resid   85 and  name HN   )(resid   83 and  name HN   ) 4.0 2.2 1.0
assign (resid   16 and  name HN   )(resid   15 and  name HB#  ) 4.0 2.2 1.0
assign (resid   95 and  name HN   )(resid   93 and  name HG2# ) 4.0 3.7 2.5
assign (resid   95 and  name HN   )(resid   94 and  name HA#  ) 4.0 3.2 2.0
assign (resid   95 and  name HN   )(resid   93 and  name HA   ) 3.0 1.2 0.5 
assign (resid   95 and  name HN   )(resid   94 and  name HA2  ) 4.0 2.2 1.0
assign (resid   50 and  name HN   )(resid   49 and  name HB1  ) 4.0 2.2 1.0
assign (resid   27 and  name HN   )(resid   26 and  name HB#  ) 4.0 3.2 2.0
assign (resid   27 and  name HN   )(resid   26 and  name HD1# ) 4.0 3.7 2.5
assign (resid   27 and  name HN   )(resid   26 and  name HG   ) 4.0 2.2 1.0 
assign (resid   50 and  name HN   )(resid   49 and  name HB2  ) 4.0 2.2 1.0
assign (resid   27 and  name HN   )(resid   24 and  name HA   ) 4.0 2.2 1.0
assign (resid   27 and  name HN   )(resid   26 and  name HN   ) 3.0 1.2 0.5
assign (resid   27 and  name HN   )(resid   23 and  name HA1  ) 4.0 2.2 1.0
assign (resid   27 and  name HN   )(resid   26 and  name HA   ) 4.0 2.2 1.0
assign (resid   50 and  name HN   )(resid   49 and  name HA   ) 4.0 2.2 1.0
assign (resid   74 and  name HN   )(resid   73 and  name HA   ) 4.0 2.2 1.0
assign (resid   37 and  name HN   )(resid   36 and  name HA   ) 4.0 2.2 1.0
assign (resid   82 and  name HN   )(resid   81 and  name HB#  ) 3.0 2.2 1.5 
assign (resid   82 and  name HN   )(resid   81 and  name HA   ) 3.0 1.2 0.5 
assign (resid   82 and  name HN   )(resid   83 and  name HN   ) 3.0 1.2 0.5 
assign (resid   82 and  name HN   )(resid   83 and  name HB1  ) 4.0 2.2 1.0
assign (resid   64 and  name HN   )(resid   62 and  name HA   ) 4.0 2.2 1.0
assign (resid   64 and  name HN   )(resid   62 and  name HB2  ) 4.0 2.2 1.0
assign (resid   30 and  name HN   )(resid   28 and  name HA   ) 4.0 2.2 1.0
assign (resid   30 and  name HN   )(resid   31 and  name HB#  ) 4.0 3.2 2.0
assign (resid   30 and  name HN   )(resid   29 and  name HB2  ) 4.0 2.2 1.0
assign (resid   30 and  name HN   )(resid   29 and  name HB1  ) 4.0 2.2 1.0
assign (resid   59 and  name HZ2  )(resid   67 and  name HG1# ) 2.5 2.2 1.7
assign (resid   59 and  name HZ2  )(resid   67 and  name HG2# ) 4.0 3.7 2.5
assign (resid   19 and  name HN   )(resid   18 and  name HA   ) 3.0 1.2 0.5 
assign (resid   19 and  name HN   )(resid   18 and  name HB   ) 3.0 1.2 0.5 
assign (resid   29 and  name HN   )(resid   28 and  name HA   ) 4.0 2.2 1.0
assign (resid   29 and  name HN   )(resid   28 and  name HB#  ) 3.0 2.2 1.5 
assign (resid   66 and  name HN   )(resid   65 and  name HA1  ) 4.0 2.2 1.0 
assign (resid   66 and  name HN   )(resid   65 and  name HA2  ) 4.0 2.2 1.0
assign (resid   25 and  name HN   )(resid   22 and  name HA   ) 4.0 2.2 1.0
assign (resid   25 and  name HN   )(resid   21 and  name HA   ) 4.0 2.2 1.0
assign (resid   25 and  name HN   )(resid   26 and  name HN   ) 3.0 1.2 0.5 
assign (resid   25 and  name HN   )(resid   24 and  name HD#  ) 4.0 4.2 3.0
assign (resid   25 and  name HN   )(resid   24 and  name HA   ) 4.0 2.2 1.0
assign (resid   25 and  name HN   )(resid   24 and  name HB#  ) 3.0 2.2 1.5 ! 
assign (resid   25 and  name HN   )(resid   24 and  name HB#  ) 3.0 2.2 1.5
!assign (resid   40 and  name HD1  )(resid   42 and  name HD#  ) 3.0 3.2 4.0
assign (resid   59 and  name HE3  )(resid   60 and  name HD2  ) 4.0 2.2 1.0
assign (resid   40 and  name HD1  )(resid   39 and  name HA   ) 3.0 1.2 2.0 ! 
assign (resid   80 and  name HD#  )(resid   79 and  name HA   ) 4.0 4.2 3.0
assign (resid   80 and  name HD#  )(resid   78 and  name HG1# ) 2.5 4.2 3.7
assign (resid   83 and  name HN   )(resid   81 and  name HA   ) 4.0 2.2 1.0
!assign (resid   83 and  name HN   )(resid   80 and  name HA   ) 4.0 2.2 1.0
assign (resid   83 and  name HN   )(resid   82 and  name HB2  ) 4.0 2.2 1.0
assign (resid   83 and  name HN   )(resid   82 and  name HB1  ) 4.0 2.2 1.0
assign (resid   83 and  name HN   )(resid   82 and  name HA   ) 4.0 2.2 1.0
assign (resid   47 and  name HN   )(resid   46 and  name HB1  ) 4.0 2.2 1.0
assign (resid   47 and  name HN   )(resid   45 and  name HA   ) 4.0 2.2 1.0
assign (resid   47 and  name HN   )(resid   46 and  name HB2  ) 4.0 2.2 1.0
assign (resid   23 and  name HN   )(resid   22 and  name HA   ) 4.0 2.2 1.0
assign (resid   23 and  name HN   )(resid   22 and  name HN   ) 2.5 0.7 0.2
assign (resid   23 and  name HN   )(resid   22 and  name HB#  ) 2.5 2.2 1.7
assign (resid   23 and  name HN   )(resid   24 and  name HB1  ) 4.0 2.2 1.0
assign (resid   61 and  name HN   )(resid   60 and  name HA   ) 3.0 1.2 0.5 
assign (resid   22 and  name HN   )(resid   21 and  name HA   ) 4.0 2.2 1.0
assign (resid   22 and  name HN   )(resid   21 and  name HB#  ) 2.5 2.2 1.7
assign (resid   88 and  name HN   )(resid   87 and  name HB#  ) 2.5 2.2 1.7
assign (resid   88 and  name HN   )(resid   87 and  name HA   ) 4.0 2.2 1.0
assign (resid   92 and  name HD#  )(resid   75 and  name HB#  ) 3.0 3.7 4.5 ! 
assign (resid   52 and  name HN   )(resid   50 and  name HA   ) 4.0 2.2 1.0 
assign (resid   52 and  name HN   )(resid   51 and  name HA   ) 4.0 2.2 1.0 
assign (resid   26 and  name HN   )(resid   25 and  name HA   ) 4.0 2.2 1.0  
assign (resid   26 and  name HN   )(resid   25 and  name HB2  ) 3.0 1.2 0.5
assign (resid   45 and  name HE#  )(resid   43 and  name HB2  ) 4.0 4.2 3.0
assign (resid   24 and  name HD#  )(resid   21 and  name HB1  ) 3.0 3.2 2.5
assign (resid   56 and  name HD#  )(resid   54 and  name HB2  ) 4.0 4.2 3.0
assign (resid    4 and  name HD#  )(resid    3 and  name HA   ) 4.0 4.2 3.0
assign (resid   42 and  name HE#  )(resid   44 and  name HN   ) 4.0 4.2 3.0
assign (resid   80 and  name HE#  )(resid   78 and  name HG1# ) 4.0 5.7 4.5
assign (resid   56 and  name HE#  )(resid   52 and  name HG1# ) 4.0 4.7 3.5
assign (resid   56 and  name HE#  )(resid   52 and  name HG2# ) 2.5 4.2 3.7
assign (resid   56 and  name HE#  )(resid   52 and  name HB   ) 4.0 4.2 3.0
assign (resid   56 and  name HE#  )(resid   54 and  name HA   ) 3.0 3.2 2.5
assign (resid   50 and  name HD#  )(resid   48 and  name HB2  ) 4.0 4.2 3.0
assign (resid   27 and  name HD2  )(resid   28 and  name HA   ) 4.0 2.2 1.0
assign (resid   59 and  name HD1  )(resid   61 and  name HD1# ) 4.0 3.7 2.5
assign (resid   59 and  name HD1  )(resid   60 and  name HD2  ) 4.0 2.2 1.0
assign (resid   50 and  name HE#  )(resid   48 and  name HB1  ) 4.0 4.2 3.0
assign (resid   50 and  name HZ   )(resid   48 and  name HB2  ) 4.0 2.2 1.0
assign (resid   50 and  name HZ   )(resid   48 and  name HD#  ) 4.0 4.2 3.0
assign (resid   50 and  name HZ   )(resid   90 and  name HD1# ) 4.0 3.7 2.5 
assign (resid   57 and  name HD#  )(resid   41 and  name HA   ) 3.0 3.2 4.0 !
assign (resid   57 and  name HE#  )(resid   41 and  name HA   ) 3.0 3.2 2.5
assign (resid   57 and  name HD#  )(resid   81 and  name HA   ) 3.0 3.2 2.5
assign (resid   57 and  name HE#  )(resid   81 and  name HA   ) 3.0 3.2 2.5
assign (resid   57 and  name HD#  )(resid   40 and  name HA   ) 4.0 4.2 3.0 !
assign (resid   57 and  name HE#  )(resid   40 and  name HA   ) 4.0 4.2 3.0
assign (resid   57 and  name HD#  )(resid   41 and  name HB1  ) 2.5 2.7 2.2
assign (resid   57 and  name HE#  )(resid   41 and  name HB1  ) 3.0 3.2 2.5
assign (resid   11 and  name HE#  )(resid   63 and  name HA   ) 2.5 2.7 2.2
assign (resid   11 and  name HE#  )(resid    9 and  name HB1  ) 4.0 4.2 3.0
assign (resid   11 and  name HE#  )(resid   61 and  name HD#  ) 3.0 4.7 4.0
assign (resid   11 and  name HE#  )(resid   61 and  name HG2# ) 4.0 5.7 4.5
assign (resid   11 and  name HE#  )(resid   11 and  name HB1  ) 3.0 3.2 2.5
assign (resid   11 and  name HE#  )(resid   76 and  name HB2  ) 4.0 4.2 3.0
assign (resid   81 and  name HA   )(resid   79 and  name HG1# ) 4.0 3.7 2.5
!assign (resid   81 and  name HA   )(resid   52 and  name HG2# ) 4.0 3.7 2.5
assign (resid   81 and  name HA   )(resid   56 and  name HA   ) 4.0 2.2 1.0
assign (resid   44 and  name HN   )(resid   43 and  name HA   ) 4.0 2.2 1.0
assign (resid   91 and  name HA   )(resid   75 and  name HB#  ) 4.0 3.7 2.5
assign (resid   91 and  name HA   )(resid   76 and  name HA   ) 3.0 1.2 0.5
assign (resid   80 and  name HA   )(resid   86 and  name HB#  ) 4.0 3.2 2.0
assign (resid   80 and  name HA   )(resid   79 and  name HG1# ) 4.0 3.7 2.5
assign (resid   80 and  name HA   )(resid   86 and  name HA   ) 4.0 2.2 1.0
assign (resid   80 and  name HA   )(resid   86 and  name HD2# ) 4.0 3.7 2.5
assign (resid   80 and  name HA   )(resid   79 and  name HA   ) 4.0 2.2 1.0
assign (resid   39 and  name HA   )(resid   60 and  name HD#  ) 4.0 3.2 2.0
assign (resid   39 and  name HA   )(resid   38 and  name HA   ) 4.0 2.2 1.0
assign (resid   39 and  name HA   )(resid   38 and  name HB#  ) 4.0 3.2 2.0
assign (resid   39 and  name HA   )(resid   59 and  name HA   ) 4.0 2.2 1.0
assign (resid   76 and  name HA   )(resid   75 and  name HB#  ) 4.0 3.7 2.5
assign (resid   76 and  name HA   )(resid   91 and  name HB   ) 4.0 2.2 1.0
assign (resid   12 and  name HA   )(resid   13 and  name HA   ) 4.0 2.2 1.0
assign (resid   12 and  name HA   )(resid   13 and  name HB#  ) 4.0 3.2 2.0
assign (resid   59 and  name HA   )(resid   60 and  name HD#  ) 3.0 2.2 1.5
assign (resid   59 and  name HA   )(resid   60 and  name HG#  ) 4.0 3.2 2.0
assign (resid  100 and  name HA   )(resid   95 and  name HB#  ) 3.0 2.7 3.5 !
assign (resid  100 and  name HA   )(resid   92 and  name HA   ) 4.0 2.2 1.0
assign (resid  100 and  name HA   )(resid  101 and  name HG2# ) 4.0 3.7 2.5
assign (resid  100 and  name HA   )(resid  101 and  name HG1# ) 4.0 3.7 2.5
assign (resid  100 and  name HA   )(resid   91 and  name HG2# ) 3.0 2.7 2.0
assign (resid  100 and  name HA   )(resid  101 and  name HA   ) 4.0 2.2 1.0
assign (resid   58 and  name HA   )(resid   79 and  name HG1# ) 4.0 3.7 2.5
assign (resid   90 and  name HA   )(resid  102 and  name HA   ) 3.0 1.2 0.5
assign (resid   90 and  name HA   )(resid   91 and  name HG2# ) 4.0 3.7 2.5
assign (resid   42 and  name HA   )(resid   43 and  name HB#  ) 4.0 3.2 2.0
assign (resid  101 and  name HA   )(resid  100 and  name HB2  ) 4.0 2.2 1.0
assign (resid   14 and  name HA   )(resid   15 and  name HB#  ) 4.0 3.2 2.0 !
assign (resid   78 and  name HA   )(resid   89 and  name HG2# ) 3.0 2.7 2.0
assign (resid   78 and  name HA   )(resid   89 and  name HG1# ) 4.0 3.7 2.5
assign (resid   19 and  name HA   )(resid   22 and  name HB#  ) 2.5 2.2 1.7
assign (resid   13 and  name HA   )(resid   16 and  name HB   ) 4.0 2.2 1.0
assign (resid   13 and  name HA   )(resid   16 and  name HG2# ) 2.5 2.2 1.7
assign (resid   55 and  name HA   )(resid   54 and  name HB2  ) 4.0 2.2 1.0
assign (resid   55 and  name HA   )(resid   54 and  name HA   ) 4.0 2.2 1.0
assign (resid   17 and  name HA   )(resid   20 and  name HB1  ) 2.5 0.7 0.2 
assign (resid   93 and  name HB   )(resid   91 and  name HG2# ) 2.5 2.2 2.5 !
assign (resid   93 and  name HB   )(resid   94 and  name HA#  ) 4.0 3.2 2.0
assign (resid   22 and  name HA   )(resid   25 and  name HB1  ) 4.0 2.2 1.0
assign (resid   22 and  name HA   )(resid   25 and  name HB2  ) 3.0 1.2 0.5
assign (resid   13 and  name HB1  )(resid    3 and  name HB2  ) 4.0 2.2 1.0
assign (resid   18 and  name HA   )(resid   21 and  name HB#  ) 2.5 2.2 1.7
assign (resid   13 and  name HB2  )(resid    3 and  name HB#  ) 4.0 3.2 2.0
assign (resid   26 and  name HA   )(resid   29 and  name HB2  ) 4.0 2.2 1.0
assign (resid   26 and  name HA   )(resid   29 and  name HB1  ) 4.0 2.2 1.0
assign (resid   21 and  name HA   )(resid   24 and  name HB1  ) 4.0 2.2 1.0
assign (resid   21 and  name HA   )(resid   24 and  name HB2  ) 4.0 2.2 1.0
assign (resid   88 and  name HA1  )(resid   89 and  name HG2# ) 4.0 3.7 2.5
assign (resid   88 and  name HA1  )(resid   89 and  name HG2# ) 4.0 3.7 2.5
assign (resid   25 and  name HA   )(resid   24 and  name HB#  ) 4.0 2.2 2.0
assign (resid   25 and  name HA   )(resid   28 and  name HB1  ) 4.0 2.2 1.0
assign (resid   24 and  name HA   )(resid   27 and  name HB2  ) 3.0 1.2 0.5
assign (resid  103 and  name HB1  )(resid   89 and  name HG1# ) 4.0 3.7 2.5
assign (resid  103 and  name HB1  )(resid   89 and  name HB   ) 4.0 2.2 1.0
assign (resid   56 and  name HB1  )(resid   42 and  name HB2  ) 4.0 2.2 1.0
assign (resid   56 and  name HB1  )(resid   79 and  name HG1# ) 4.0 3.7 2.5
assign (resid   11 and  name HB1  )(resid   89 and  name HG2# ) 4.0 3.7 2.5
assign (resid   11 and  name HB1  )(resid   16 and  name HG2# ) 4.0 3.7 2.5
assign (resid  100 and  name HB1  )(resid   90 and  name HD#  ) 4.0 3.7 2.5
assign (resid   76 and  name HB1  )(resid   75 and  name HB#  ) 4.0 3.7 2.5
assign (resid   56 and  name HB2  )(resid   79 and  name HG1# ) 3.0 2.7 2.0
assign (resid   56 and  name HB2  )(resid   79 and  name HG2# ) 4.0 3.7 2.5
assign (resid  100 and  name HB2  )(resid   90 and  name HD1# ) 4.0 3.7 2.5
assign (resid   83 and  name HB#  )(resid   85 and  name HB1  ) 4.0 3.2 2.0 !
assign (resid   60 and  name HB1  )(resid   62 and  name HD2# ) 4.0 3.7 2.5
assign (resid   23 and  name HA#  )(resid   26 and  name HB#  ) 4.0 4.2 3.0
!assign (resid   60 and  name HB#  )(resid   61 and  name HD#  ) 4.0 4.7 3.5
assign (resid   78 and  name HB   )(resid   89 and  name HG2# ) 4.0 3.7 2.5
!assign (resid   90 and  name HB   )(resid  104 and  name HG2# ) 4.0 3.7 2.5
assign (resid   77 and  name HB1  )(resid   90 and  name HD1# ) 4.0 3.7 2.5
assign (resid   62 and  name HD2# )(resid   61 and  name HD#  ) 2.5 3.7 3.2
assign (resid   79 and  name HG1# )(resid   90 and  name HD1# ) 4.0 5.2 4.0


! ******************** MANUAL ASSIGNMENTS (INTERRESIDUE) *******************

!! peak number 1 - 265

assign (resid   13 and  name HN   )(resid    4 and  name HD#  ) 4.0 4.2 3.0
assign (resid   13 and  name HN   )(resid    4 and  name HE#  ) 4.0 4.2 3.0
assign (resid   13 and  name HN   )(resid    2 and  name HB2  ) 4.0 2.2 1.0
assign (resid   13 and  name HN   )(resid    3 and  name HB2  ) 4.0 2.2 1.0
assign (resid   33 and  name HN   )(resid   59 and  name HZ3  ) 4.0 2.2 1.0
assign (resid   33 and  name HN   )(resid   37 and  name HA   ) 4.0 2.2 1.0
assign (resid   33 and  name HN   )(resid   26 and  name HD1# ) 4.0 3.7 2.5
assign (resid   77 and  name HN   )(resid   90 and  name HG1# ) 4.0 3.7 2.5
assign (resid   77 and  name HN   )(resid   89 and  name HG1# ) 4.0 3.7 2.5
assign (resid   12 and  name HN   )(resid   11 and  name HD#  ) 4.0 3.2 3.0
assign (resid   91 and  name HN   )(resid  100 and  name HB2  ) 4.0 2.2 1.0
assign (resid   12 and  name HN   )(resid   16 and  name HG2# ) 4.0 3.7 2.5
assign (resid   12 and  name HN   )(resid   11 and  name HE#  ) 4.0 4.2 3.0
assign (resid   12 and  name HN   )(resid   11 and  name HB1  ) 4.0 2.2 1.0
!assign (resid   91 and  name HN   )(resid   77 and  name HA   ) 4.0 2.2 1.0
assign (resid   12 and  name HN   )(resid   11 and  name HD#  ) 4.0 4.2 3.0
!assign (resid   12 and  name HN   )(resid    4 and  name HE#  ) 4.0 4.2 3.0
assign (resid  101 and  name HN   )(resid  100 and  name HB2  ) 4.0 2.2 1.0
assign (resid  101 and  name HN   )(resid   95 and  name HB#  ) 4.0 3.7 2.5
assign (resid  101 and  name HN   )(resid   90 and  name HB   ) 4.0 2.2 1.0
assign (resid  101 and  name HN   )(resid  102 and  name HN   ) 4.0 2.2 1.0
assign (resid   51 and  name HN   )(resid   52 and  name HG1# ) 4.0 3.7 2.5
assign (resid   51 and  name HN   )(resid   52 and  name HG2# ) 4.0 3.7 2.5
assign (resid   51 and  name HN   )(resid   87 and  name HB#  ) 4.0 3.7 2.5
assign (resid   92 and  name HN   )(resid   76 and  name HA   ) 4.0 2.2 1.0
assign (resid   68 and  name HN   )(resid   67 and  name HA   ) 4.0 2.2 1.0
assign (resid   68 and  name HN   )(resid   62 and  name HD1# ) 4.0 3.7 2.5
assign (resid   68 and  name HN   )(resid   59 and  name HZ2  ) 4.0 2.2 1.0
assign (resid   41 and  name HN   )(resid   42 and  name HN   ) 4.0 2.2 1.0
assign (resid   41 and  name HN   )(resid   57 and  name HD#  ) 4.0 4.2 3.0
assign (resid   68 and  name HN   )(resid   62 and  name HG   ) 4.0 2.2 1.0
assign (resid   11 and  name HN   )(resid    5 and  name HA   ) 4.0 2.2 1.0
assign (resid   11 and  name HN   )(resid   16 and  name HG2# ) 4.0 3.7 2.5
assign (resid   59 and  name HE1  )(resid   61 and  name HA   ) 3.0 1.2 0.5
assign (resid   59 and  name HE1  )(resid   22 and  name HB#  ) 4.0 3.7 2.5
assign (resid   59 and  name HE1  )(resid   19 and  name HB#  ) 4.0 3.7 2.5
assign (resid   59 and  name HE1  )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   59 and  name HE1  )(resid   67 and  name HG2# ) 4.0 3.7 2.5
assign (resid    5 and  name HN   )(resid    5 and  name HG2# ) 4.0 3.7 2.5
assign (resid   87 and  name HN   )(resid   81 and  name HN   ) 4.0 2.2 1.0
assign (resid   87 and  name HN   )(resid   79 and  name HG1# ) 4.0 3.7 2.5
assign (resid   87 and  name HN   )(resid   86 and  name HD1# ) 3.0 2.7 2.0
assign (resid   87 and  name HN   )(resid   79 and  name HB   ) 4.0 2.2 1.0
assign (resid   20 and  name HN   )(resid   78 and  name HG1# ) 4.0 3.7 2.5
assign (resid   87 and  name HN   )(resid   86 and  name HG   ) 4.0 2.2 1.0
assign (resid   20 and  name HN   )(resid   16 and  name HG1# ) 4.0 3.7 2.5
assign (resid   20 and  name HN   )(resid   21 and  name HB#  ) 4.0 3.7 2.5
assign (resid   78 and  name HN   )(resid   78 and  name HG1# ) 3.0 2.7 2.5
assign (resid   78 and  name HN   )(resid   61 and  name HD1# ) 4.0 3.7 2.5
assign (resid   63 and  name HN   )(resid   61 and  name HG1# ) 4.0 3.2 2.0 !
assign (resid   63 and  name HN   )(resid   64 and  name HB2  ) 3.0 1.2 0.5
assign (resid  100 and  name HN   )(resid   95 and  name HB#  ) 4.0 3.7 2.5
assign (resid  100 and  name HN   )(resid   99 and  name HB1  ) 3.0 1.2 0.5
assign (resid   46 and  name HN   )(resid   45 and  name HB1  ) 4.0 2.2 1.0
assign (resid   58 and  name HN   )(resid   79 and  name HG2# ) 4.0 3.7 2.5
assign (resid   58 and  name HN   )(resid   58 and  name HG1# ) 4.0 3.2 2.0
assign (resid   57 and  name HN   )(resid   79 and  name HG1# ) 4.0 3.7 2.5
assign (resid   58 and  name HN   )(resid   42 and  name HB2  ) 4.0 2.2 1.0
assign (resid   58 and  name HN   )(resid   56 and  name HB#  ) 4.0 3.2 2.0
assign (resid   57 and  name HN   )(resid   56 and  name HB2  ) 4.0 2.2 1.0
assign (resid   57 and  name HN   )(resid   56 and  name HD#  ) 3.0 3.2 3.0
assign (resid   38 and  name HN   )(resid   32 and  name HG2# ) 4.0 3.7 2.5
assign (resid   38 and  name HN   )(resid   32 and  name HA   ) 4.0 2.2 1.0
assign (resid   76 and  name HN   )(resid    6 and  name HB#  ) 4.0 3.2 2.0
assign (resid   76 and  name HN   )(resid   77 and  name HB#  ) 4.0 3.2 2.0
assign (resid   49 and  name HN   )(resid   48 and  name HD#  ) 4.0 4.2 3.0

!! peak number 271 - 494

assign (resid   42 and  name HN   )(resid   42 and  name HD#  ) 4.0 4.2 3.0
assign (resid   49 and  name HN   )(resid   48 and  name HE#  ) 4.0 4.2 3.0
assign (resid   49 and  name HN   )(resid   48 and  name HN   ) 4.0 2.2 1.0
assign (resid   42 and  name HN   )(resid   58 and  name HB#  ) 4.0 3.2 2.0 !
assign (resid   90 and  name HN   )(resid   77 and  name HB#  ) 4.0 3.2 2.0
assign (resid   42 and  name HN   )(resid   41 and  name HB#  ) 4.0 3.2 2.0
assign (resid  102 and  name HN   )(resid   48 and  name HE#  ) 4.0 4.2 3.0
assign (resid  102 and  name HN   )(resid  101 and  name HG2# ) 4.0 3.7 2.5
assign (resid  102 and  name HN   )(resid   48 and  name HZ   ) 4.0 2.2 1.0
assign (resid  103 and  name HN   )(resid  104 and  name HG2# ) 4.0 3.7 2.5
assign (resid  102 and  name HN   )(resid   90 and  name HG2# ) 4.0 3.7 2.5
assign (resid  103 and  name HN   )(resid   90 and  name HA   ) 4.0 2.2 1.0
assign (resid  103 and  name HN   )(resid   89 and  name HG1# ) 4.0 3.7 2.5
assign (resid   34 and  name HN   )(resid   33 and  name HG2# ) 4.0 3.7 2.5
assign (resid   67 and  name HN   )(resid   66 and  name HB2  ) 4.0 2.2 1.0
assign (resid   67 and  name HN   )(resid   67 and  name HG1# ) 4.0 3.7 2.5
assign (resid   17 and  name HN   )(resid   61 and  name HD1# ) 4.0 3.7 2.5
assign (resid   24 and  name HN   )(resid   22 and  name HB#  ) 4.0 3.7 2.5
assign (resid   24 and  name HN   )(resid   26 and  name HB#  ) 4.0 3.2 2.0
assign (resid   81 and  name HN   )(resid   84 and  name HN   ) 4.0 2.2 1.0
assign (resid   81 and  name HN   )(resid   52 and  name HG2# ) 4.0 3.7 2.5
assign (resid   81 and  name HN   )(resid   87 and  name HB#  ) 4.0 3.7 2.5
assign (resid   81 and  name HN   )(resid   86 and  name HA   ) 4.0 2.2 1.0
assign (resid   43 and  name HN   )(resid   42 and  name HB2  ) 4.0 2.2 1.0
assign (resid   43 and  name HN   )(resid   45 and  name HD#  ) 4.0 4.2 3.0
assign (resid   81 and  name HN   )(resid   24 and  name HD#  ) 4.0 4.2 3.0
assign (resid   43 and  name HN   )(resid   41 and  name HD#  ) 3.0 2.7 2.0
assign (resid   86 and  name HN   )(resid   85 and  name HB#  ) 4.0 3.2 2.0
assign (resid   28 and  name HN   )(resid   28 and  name HB#  ) 4.0 3.2 2.0
assign (resid  104 and  name HN   )(resid  103 and  name HB#  ) 3.0 2.2 1.5
assign (resid   28 and  name HN   )(resid   29 and  name HA   ) 4.0 2.2 1.0
assign (resid    3 and  name HN   )(resid    3 and  name HA   ) 3.0 1.2 0.5
assign (resid   18 and  name HN   )(resid   19 and  name HB#  ) 4.0 3.7 2.5
assign (resid   18 and  name HN   )(resid   16 and  name HG1# ) 4.0 3.7 2.5
assign (resid   18 and  name HN   )(resid   16 and  name HA   ) 4.0 2.2 1.0
!assign (resid   18 and  name HN   )(resid   16 and  name HB   ) 4.0 2.2 1.0
assign (resid    4 and  name HN   )(resid    2 and  name HB#  ) 4.0 3.2 2.0
assign (resid    4 and  name HN   )(resid   16 and  name HG2# ) 4.0 3.7 2.5
assign (resid   10 and  name HN   )(resid    5 and  name HG2# ) 4.0 3.7 2.5
assign (resid   48 and  name HN   )(resid   46 and  name HB2  ) 4.0 2.2 1.0
assign (resid   14 and  name HN   )(resid   14 and  name HB#  ) 3.0 2.2 2.0
assign (resid   62 and  name HN   )(resid   61 and  name HA   ) 3.0 1.2 0.5
assign (resid   62 and  name HN   )(resid   19 and  name HB#  ) 4.0 3.7 2.5

assign (resid   99 and  name HN   )(resid   99 and  name HB#  ) 3.5 2.2 1.5
assign (resid   81 and  name HN   )(resid   81 and  name HB#  ) 3.0 2.2 1.5
assign (resid   18 and  name HN   )(resid   18 and  name HB   ) 3.0 1.2 0.5
assign (resid   48 and  name HN   )(resid   48 and  name HD#  ) 3.0 3.2 2.5
assign (resid   62 and  name HN   )(resid   62 and  name HD1# ) 4.0 3.7 2.5
assign (resid   62 and  name HN   )(resid   62 and  name HG   ) 3.0 1.2 0.5
assign (resid   79 and  name HN   )(resid   79 and  name HB   ) 3.0 1.2 0.5
assign (resid   79 and  name HN   )(resid   79 and  name HG1# ) 4.0 3.7 2.5

!! peak number 494 - 765

assign (resid   79 and  name HN   )(resid   86 and  name HD1# ) 3.0 2.7 2.0
assign (resid   27 and  name HE1  )(resid   57 and  name HD#  ) 4.0 4.2 3.0
assign (resid   84 and  name HN   )(resid   82 and  name HA   ) 4.0 2.2 1.0
assign (resid   69 and  name HN   )(resid   67 and  name HG1# ) 4.0 3.7 2.5
assign (resid   69 and  name HN   )(resid   62 and  name HD1# ) 4.0 3.7 2.5
assign (resid   40 and  name HE1  )(resid   39 and  name HB#  ) 4.0 3.2 2.0
assign (resid   40 and  name HE1  )(resid   38 and  name HE#  ) 4.0 4.2 3.0
assign (resid   32 and  name HN   )(resid   26 and  name HD1# ) 4.0 3.7 2.5
assign (resid   56 and  name HN   )(resid   79 and  name HG1# ) 4.0 3.7 2.5
assign (resid   32 and  name HN   )(resid   31 and  name HA   ) 4.0 2.2 1.0
!assign (resid    9 and  name HN   )(resid   93 and  name HG2# ) 4.0 3.7 2.5
assign (resid   89 and  name HN   )(resid    4 and  name HD#  ) 4.0 4.2 3.0
assign (resid   89 and  name HN   )(resid   88 and  name HA2  ) 3.0 1.2 0.5
assign (resid   21 and  name HN   )(resid   22 and  name HB#  ) 4.0 3.7 2.5
assign (resid   89 and  name HN   )(resid  102 and  name HB#  ) 4.0 3.2 2.0
assign (resid   89 and  name HN   )(resid   78 and  name HG2# ) 4.0 3.7 2.5
assign (resid   54 and  name HN   )(resid   56 and  name HE#  ) 4.0 4.2 3.0
assign (resid   31 and  name HN   )(resid   26 and  name HD1# ) 4.0 3.7 2.5
assign (resid   31 and  name HN   )(resid   30 and  name HA2  ) 4.0 2.2 1.0
!assign (resid   31 and  name HN   )(resid   26 and  name HG   ) 4.0 2.2 1.0
assign (resid   31 and  name HN   )(resid   29 and  name HB#  ) 4.0 3.2 2.0
assign (resid   56 and  name HN   )(resid   41 and  name HG#  ) 4.0 3.2 2.0
assign (resid   65 and  name HN   )(resid   66 and  name HN   ) 4.0 2.2 1.0
assign (resid   85 and  name HN   )(resid   84 and  name HA   ) 3.0 1.2 0.5
assign (resid   85 and  name HN   )(resid   83 and  name HB2  ) 4.0 2.2 1.0
assign (resid   95 and  name HN   )(resid  101 and  name HG1# ) 4.0 3.7 2.5
assign (resid   37 and  name HN   )(resid   32 and  name HG2# ) 4.0 3.7 2.5
assign (resid   82 and  name HN   )(resid   57 and  name HD#  ) 4.0 4.2 3.0
!assign (resid   82 and  name HN   )(resid   56 and  name HE#  ) 4.0 4.2 3.0
assign (resid   82 and  name HN   )(resid   81 and  name HB2  ) 4.0 2.2 1.0
assign (resid   82 and  name HN   )(resid   83 and  name HB2  ) 4.0 2.2 1.0
assign (resid   64 and  name HN   )(resid   62 and  name HB#  ) 4.0 2.2 1.0
!assign (resid   82 and  name HN   )(resid   85 and  name HB1  ) 4.0 2.2 1.0
assign (resid   59 and  name HZ2  )(resid   33 and  name HG1# ) 4.0 3.7 2.5
assign (resid   30 and  name HN   )(resid   27 and  name HD1  ) 4.0 2.2 1.0
assign (resid   19 and  name HN   )(resid   22 and  name HB#  ) 4.0 3.7 2.5
assign (resid   19 and  name HN   )(resid   16 and  name HA   ) 4.0 2.2 1.0
assign (resid   29 and  name HN   )(resid   26 and  name HD1# ) 4.0 3.7 2.5
assign (resid   29 and  name HN   )(resid   28 and  name HG#  ) 4.0 3.2 2.0
assign (resid   19 and  name HN   )(resid   61 and  name HD#  ) 4.0 3.7 2.5
assign (resid   29 and  name HN   )(resid   25 and  name HG#  ) 4.0 3.2 2.0
assign (resid   19 and  name HN   )(resid   18 and  name HG2# ) 4.0 3.7 2.5
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 4.0 2.2 1.0
assign (resid   25 and  name HN   )(resid   24 and  name HD#  ) 4.0 4.2 3.0
assign (resid   66 and  name HN   )(resid   62 and  name HD#  ) 4.0 3.7 2.5
assign (resid   25 and  name HN   )(resid   22 and  name HN   ) 4.0 2.2 1.0
assign (resid   25 and  name HN   )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   92 and  name HE1  )(resid  100 and  name HE#  ) 3.0 3.2 2.5
assign (resid   92 and  name HN   )(resid   98 and  name HB1  ) 4.0 2.2 1.0
assign (resid   92 and  name HN   )(resid   98 and  name HB2  ) 4.0 2.2 1.0
assign (resid   25 and  name HN   )(resid   24 and  name HD#  ) 3.0 3.2 2.5
assign (resid   59 and  name HE3  )(resid   39 and  name HG#  ) 4.0 3.2 2.0
assign (resid   92 and  name HE1  )(resid   99 and  name HA   ) 4.0 2.2 1.0
assign (resid   59 and  name HE3  )(resid   38 and  name HA   ) 4.0 2.2 1.0

assign (resid   32 and  name HN   )(resid   32 and  name HB   ) 4.0 2.2 1.0
assign (resid   40 and  name HN   )(resid   40 and  name HB#  ) 3.0 2.2 1.5
assign (resid   89 and  name HN   )(resid   89 and  name HG1# ) 3.0 2.7 2.0
assign (resid   21 and  name HN   )(resid   21 and  name HB#  ) 3.0 2.7 2.0
assign (resid   82 and  name HN   )(resid   82 and  name HB#  ) 3.0 2.2 1.5
assign (resid   82 and  name HN   )(resid   82 and  name HG#  ) 3.0 2.2 1.5
assign (resid   82 and  name HN   )(resid   82 and  name HB#  ) 3.0 2.2 1.5
assign (resid   30 and  name HN   )(resid   30 and  name HA#  ) 3.0 2.2 1.5

!! peak number 767 - 917

!assign (resid   25 and  name HN   )(resid   26 and  name HA   ) 4.0 2.2 1.0
assign (resid   59 and  name HE3  )(resid   38 and  name HB1  ) 4.0 2.2 1.0
assign (resid   59 and  name HE3  )(resid   33 and  name HG1# ) 4.0 3.7 2.5
assign (resid   59 and  name HE3  )(resid   39 and  name HB#  ) 4.0 3.2 2.0
assign (resid   59 and  name HE3  )(resid   38 and  name HB2  ) 4.0 2.2 1.0
assign (resid   59 and  name HE3  )(resid   60 and  name HD#  ) 4.0 3.2 2.0
assign (resid   59 and  name HE3  )(resid   33 and  name HG2# ) 4.0 3.7 2.5
assign (resid   59 and  name HE3  )(resid   38 and  name HD#  ) 4.0 4.2 3.0
assign (resid   25 and  name HN   )(resid   22 and  name HN   ) 4.0 2.2 1.0
assign (resid   40 and  name HD2  )(resid   38 and  name HE#  ) 4.0 4.2 3.0
assign (resid   59 and  name HE3  )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   80 and  name HD#  )(resid   24 and  name HB2  ) 4.0 3.2 2.0
assign (resid   80 and  name HD#  )(resid   79 and  name HB   ) 4.0 4.2 3.0
assign (resid   83 and  name HN   )(resid   85 and  name HG#  ) 4.0 3.2 2.0
assign (resid   80 and  name HD#  )(resid   20 and  name HG2  ) 4.0 4.2 3.0
assign (resid   80 and  name HD#  )(resid   79 and  name HG2# ) 4.0 5.7 4.5
assign (resid   80 and  name HD#  )(resid   24 and  name HA   ) 4.0 4.2 3.0
assign (resid   80 and  name HD#  )(resid   86 and  name HD1# ) 4.0 5.7 4.5
assign (resid   83 and  name HN   )(resid   84 and  name HA   ) 4.0 2.2 1.0
assign (resid   23 and  name HN   )(resid   59 and  name HB#  ) 4.0 3.2 2.0
assign (resid   23 and  name HN   )(resid   59 and  name HB#  ) 4.0 3.2 2.0
assign (resid   23 and  name HN   )(resid   21 and  name HB#  ) 4.0 3.7 2.5
assign (resid   48 and  name HE#  )(resid   50 and  name HD#  ) 4.0 6.2 5.0
assign (resid   48 and  name HE#  )(resid   44 and  name HB#  ) 4.0 5.2 4.0
assign (resid   59 and  name HH2  )(resid   60 and  name HD#  ) 4.0 3.2 2.0
assign (resid   48 and  name HE#  )(resid  102 and  name HB#  ) 4.0 5.2 4.0
assign (resid   48 and  name HE#  )(resid   90 and  name HG2# ) 3.0 4.7 4.0
assign (resid   48 and  name HE#  )(resid  100 and  name HB2  ) 4.0 4.2 3.0
assign (resid   48 and  name HE#  )(resid   90 and  name HD#  ) 4.0 5.7 4.5
assign (resid   48 and  name HE#  )(resid  101 and  name HA   ) 4.0 4.2 3.0
assign (resid   48 and  name HE#  )(resid   46 and  name HG#  ) 4.0 5.2 4.0
assign (resid   59 and  name HH2  )(resid   68 and  name HB#  ) 4.0 3.2 2.0
assign (resid   48 and  name HE#  )(resid   44 and  name HB#  ) 4.0 5.2 4.0
assign (resid   59 and  name HH2  )(resid   22 and  name HB#  ) 4.0 3.7 2.5
assign (resid   59 and  name HH2  )(resid   33 and  name HG1# ) 3.0 2.7 2.0
assign (resid   48 and  name HE#  )(resid  101 and  name HG2# ) 3.0 4.7 4.0
assign (resid   59 and  name HH2  )(resid   33 and  name HG2# ) 4.0 3.7 2.5
assign (resid   59 and  name HH2  )(resid   68 and  name HA   ) 4.0 2.2 1.0
assign (resid   48 and  name HE#  )(resid   50 and  name HD#  ) 4.0 6.2 5.0
assign (resid   48 and  name HE#  )(resid   44 and  name HB1  ) 4.0 4.2 3.0
assign (resid   61 and  name HN   )(resid   76 and  name HB2  ) 4.0 2.2 1.0
assign (resid  100 and  name HZ   )(resid   90 and  name HD#  ) 4.0 3.7 2.5
assign (resid   61 and  name HN   )(resid   77 and  name HA   ) 4.0 2.2 1.0
assign (resid   61 and  name HN   )(resid   62 and  name HG   ) 4.0 2.2 1.0
assign (resid  100 and  name HZ   )(resid   58 and  name HB#  ) 4.0 3.2 2.0
assign (resid   59 and  name HZ3  )(resid   38 and  name HB2  ) 4.0 2.2 1.0
assign (resid   59 and  name HZ3  )(resid   68 and  name HB#  ) 4.0 3.2 2.0
assign (resid   59 and  name HZ3  )(resid   33 and  name HG1# ) 3.0 2.7 2.0
assign (resid   59 and  name HZ3  )(resid   26 and  name HG   ) 4.0 2.2 1.0 !
assign (resid   61 and  name HN   )(resid   78 and  name HG1# ) 4.0 3.7 2.5
assign (resid   61 and  name HN   )(resid   60 and  name HD#  ) 4.0 3.2 2.0
assign (resid   59 and  name HZ3  )(resid   38 and  name HB#  ) 4.0 3.2 2.0
assign (resid   59 and  name HZ3  )(resid   26 and  name HD1# ) 3.0 2.7 3.5 !
!assign (resid   59 and  name HZ3  )(resid   68 and  name HA   ) 4.0 2.2 1.0
assign (resid   59 and  name HZ3  )(resid   39 and  name HD#  ) 4.0 3.2 2.0
assign (resid  100 and  name HD#  )(resid   90 and  name HB   ) 3.0 3.2 2.5
assign (resid  100 and  name HD#  )(resid   92 and  name HA   ) 4.0 4.2 3.0
assign (resid  100 and  name HD#  )(resid   90 and  name HG1# ) 4.0 5.7 4.5
assign (resid   22 and  name HN   )(resid   24 and  name HD#  ) 3.0 5.2 4.5 !
assign (resid  100 and  name HD#  )(resid   91 and  name HA   ) 4.0 4.2 3.0
assign (resid  100 and  name HD#  )(resid   99 and  name HB#  ) 4.0 5.2 4.0
assign (resid   22 and  name HN   )(resid   67 and  name HG1# ) 4.0 3.7 2.5
assign (resid   48 and  name HD#  )(resid   90 and  name HG2# ) 3.0 4.7 4.0
assign (resid  100 and  name HD#  )(resid  101 and  name HG1# ) 4.0 5.7 4.5

assign (resid   59 and  name HE3  )(resid   59 and  name HH2  ) 4.0 2.2 1.0
assign (resid   83 and  name HN   )(resid   83 and  name HB#  ) 3.0 2.2 1.5
assign (resid   23 and  name HN   )(resid   23 and  name HA#  ) 2.5 1.7 1.2
assign (resid   48 and  name HE#  )(resid   48 and  name HB#  ) 3.0 4.2 3.5
assign (resid  100 and  name HZ   )(resid  100 and  name HB#  ) 4.0 3.2 2.0
assign (resid   61 and  name HN   )(resid   61 and  name HG2# ) 2.5 2.2 1.7
!assign (resid   59 and  name HZ3  )(resid   59 and  name HA   ) 4.0 2.2 1.0
assign (resid   61 and  name HN   )(resid   61 and  name HD#  ) 4.0 3.7 2.5


!! peak number 918 - 1191

assign (resid   45 and  name HD#  )(resid   44 and  name HB1  ) 4.0 4.2 3.0
assign (resid   88 and  name HN   )(resid   52 and  name HG2# ) 4.0 3.7 2.5 !
assign (resid   88 and  name HN   )(resid   86 and  name HG   ) 4.0 2.2 1.0
assign (resid   38 and  name HD#  )(resid   39 and  name HA   ) 4.0 4.2 3.0
assign (resid   88 and  name HN   )(resid   86 and  name HD2# ) 4.0 3.7 2.5
assign (resid   38 and  name HD#  )(resid   60 and  name HD#  ) 3.0 4.2 3.5
assign (resid   38 and  name HD#  )(resid   58 and  name HB2  ) 4.0 4.2 3.0
assign (resid   38 and  name HD#  )(resid   60 and  name HG#  ) 4.0 5.2 4.0
assign (resid   38 and  name HD#  )(resid   59 and  name HA   ) 4.0 4.2 3.0
assign (resid   38 and  name HD#  )(resid   39 and  name HA   ) 4.0 4.2 3.0
assign (resid   48 and  name HD#  )(resid  102 and  name HB2  ) 4.0 4.2 3.0
assign (resid   88 and  name HN   )(resid   80 and  name HD#  ) 4.0 4.2 3.0
assign (resid   38 and  name HD#  )(resid   39 and  name HG#  ) 4.0 5.2 4.0
assign (resid   38 and  name HD#  )(resid   60 and  name HD2  ) 4.0 4.2 3.0
assign (resid   38 and  name HD#  )(resid   60 and  name HG#  ) 4.0 5.2 4.0
assign (resid   88 and  name HN   )(resid   20 and  name HG#  ) 4.0 3.2 2.0 !
assign (resid   48 and  name HD#  )(resid  102 and  name HG#  ) 4.0 5.2 4.0
assign (resid   38 and  name HD#  )(resid   68 and  name HB#  ) 4.0 5.2 4.0
assign (resid   48 and  name HD#  )(resid  101 and  name HG2# ) 4.0 5.7 4.5
assign (resid   92 and  name HD#  )(resid   75 and  name HA   ) 4.0 3.2 2.0
assign (resid   38 and  name HD#  )(resid   36 and  name HB2  ) 4.0 4.2 3.0
assign (resid   42 and  name HD#  )(resid   43 and  name HA   ) 4.0 4.2 3.0
assign (resid   26 and  name HN   )(resid   25 and  name HG#  ) 4.0 3.2 2.0
assign (resid   42 and  name HD#  )(resid   79 and  name HG2# ) 4.0 5.7 4.5
assign (resid   42 and  name HD#  )(resid   58 and  name HB#  ) 4.0 5.2 4.0
assign (resid   42 and  name HD#  )(resid   50 and  name HE#  ) 4.0 6.2 5.0
assign (resid   42 and  name HD#  )(resid   79 and  name HG1# ) 3.0 4.7 4.0
assign (resid   42 and  name HD#  )(resid   44 and  name HA   ) 4.0 4.2 3.0
assign (resid   42 and  name HD#  )(resid   56 and  name HB#  ) 3.0 4.2 3.5
assign (resid   42 and  name HD#  )(resid   79 and  name HB   ) 4.0 4.2 3.0
assign (resid  100 and  name HE#  )(resid   90 and  name HD#  ) 4.0 5.7 4.5
assign (resid  100 and  name HE#  )(resid   90 and  name HG1# ) 4.0 5.2 4.0
assign (resid   48 and  name HZ   )(resid   90 and  name HG2# ) 3.0 2.7 2.0
assign (resid   48 and  name HZ   )(resid   46 and  name HG#  ) 4.0 3.2 2.0
assign (resid   48 and  name HZ   )(resid   46 and  name HB2  ) 4.0 2.2 1.0
assign (resid   48 and  name HZ   )(resid  101 and  name HA   ) 3.0 1.2 0.5
assign (resid   48 and  name HZ   )(resid  101 and  name HG1# ) 4.0 3.7 2.5
assign (resid   48 and  name HZ   )(resid  101 and  name HB   ) 4.0 2.2 1.0
assign (resid   45 and  name HE#  )(resid   43 and  name HB#  ) 4.0 5.2 4.0
assign (resid   48 and  name HZ   )(resid  102 and  name HG#  ) 4.0 3.2 2.0
!assign (resid   11 and  name HD#  )(resid    3 and  name HB2  ) 4.0 4.2 3.0
assign (resid   24 and  name HD#  )(resid   83 and  name HB#  ) 4.0 5.2 4.0
assign (resid   11 and  name HD#  )(resid   61 and  name HD#  ) 4.0 5.7 4.5
assign (resid   11 and  name HD#  )(resid   15 and  name HB1  ) 4.0 4.2 3.0
assign (resid   11 and  name HD#  )(resid   15 and  name HB2  ) 4.0 4.2 3.0
assign (resid   11 and  name HD#  )(resid   61 and  name HG2# ) 4.0 5.7 4.5
assign (resid   45 and  name HE#  )(resid   43 and  name HB#  ) 3.0 4.2 3.5
assign (resid   24 and  name HD#  )(resid   80 and  name HB2  ) 4.0 4.2 3.0
assign (resid   24 and  name HD#  )(resid   21 and  name HA   ) 4.0 4.2 3.0
assign (resid   56 and  name HD#  )(resid   55 and  name HB#  ) 4.0 5.2 4.0
assign (resid   24 and  name HD#  )(resid   84 and  name HA   ) 4.0 4.2 3.0
assign (resid   24 and  name HD#  )(resid   84 and  name HB2  ) 4.0 4.2 3.0
assign (resid   24 and  name HD#  )(resid   80 and  name HB#  ) 3.0 5.2 3.5
assign (resid    4 and  name HD#  )(resid   78 and  name HG1# ) 4.0 5.7 4.5
assign (resid    4 and  name HD#  )(resid   16 and  name HG2# ) 3.0 4.7 4.0
assign (resid    4 and  name HD#  )(resid    3 and  name HB2  ) 4.0 4.2 3.0
assign (resid    4 and  name HD#  )(resid   89 and  name HG2# ) 3.0 4.7 4.0
assign (resid   24 and  name HD#  )(resid   84 and  name HB2  ) 4.0 4.2 3.0
assign (resid   38 and  name HE#  )(resid   59 and  name HA   ) 4.0 4.2 3.0
assign (resid    4 and  name HD#  )(resid    3 and  name HB1  ) 3.0 3.2 2.5
assign (resid   38 and  name HE#  )(resid   36 and  name HB2  ) 4.0 4.2 3.0
assign (resid   42 and  name HE#  )(resid   48 and  name HB#  ) 4.0 5.2 4.0
assign (resid   42 and  name HE#  )(resid   90 and  name HD#  ) 4.0 5.7 4.5
assign (resid   42 and  name HE#  )(resid   79 and  name HG1# ) 4.0 5.7 4.5
assign (resid   80 and  name HE#  )(resid   26 and  name HB#  ) 4.0 5.2 4.0
assign (resid   80 and  name HE#  )(resid   27 and  name HA   ) 4.0 4.2 3.0
assign (resid   38 and  name HE#  )(resid   60 and  name HD2  ) 4.0 4.2 3.0
assign (resid   24 and  name HE#  )(resid   82 and  name HG#  ) 4.0 5.2 4.0
assign (resid   24 and  name HE#  )(resid   28 and  name HB#  ) 4.0 5.2 4.0
assign (resid   80 and  name HE#  )(resid   24 and  name HA   ) 3.0 3.2 2.5
assign (resid   24 and  name HE#  )(resid   82 and  name HA   ) 4.0 4.2 3.0
assign (resid   80 and  name HE#  )(resid   23 and  name HA   ) 4.0 4.2 3.0 !
assign (resid   38 and  name HE#  )(resid   60 and  name HG#  ) 4.0 5.2 4.0
assign (resid   80 and  name HE#  )(resid   24 and  name HB#  ) 3.0 4.2 3.5
assign (resid   80 and  name HE#  )(resid   84 and  name HB#  ) 4.0 5.2 4.0
assign (resid   80 and  name HE#  )(resid   20 and  name HG#  ) 4.0 5.2 4.0
assign (resid   80 and  name HE#  )(resid   84 and  name HA   ) 4.0 4.2 3.0
assign (resid   24 and  name HE#  )(resid   28 and  name HB#  ) 4.0 5.2 4.0
assign (resid   24 and  name HE#  )(resid   28 and  name HG#  ) 3.0 4.2 3.5
assign (resid   24 and  name HE#  )(resid   82 and  name HA   ) 3.0 3.2 2.5
assign (resid   56 and  name HE#  )(resid   81 and  name HB#  ) 3.0 4.2 3.5
assign (resid   56 and  name HE#  )(resid   44 and  name HB#  ) 3.0 4.2 5.0 !
assign (resid   80 and  name HE#  )(resid   42 and  name HB#  ) 4.0 5.2 4.0
assign (resid   56 and  name HE#  )(resid   79 and  name HG2# ) 3.0 4.7 4.0
assign (resid   56 and  name HE#  )(resid   55 and  name HD#  ) 4.0 5.2 4.0
assign (resid   50 and  name HD#  )(resid   88 and  name HA2  ) 4.0 4.2 3.0
assign (resid   50 and  name HD#  )(resid   79 and  name HG2# ) 4.0 5.7 4.5
assign (resid   50 and  name HD#  )(resid   79 and  name HG1# ) 4.0 5.7 4.5
assign (resid   56 and  name HE#  )(resid   52 and  name HB   ) 4.0 4.2 3.0
assign (resid    4 and  name HE#  )(resid    3 and  name HB2  ) 4.0 4.2 3.0
assign (resid    4 and  name HE#  )(resid   89 and  name HB   ) 4.0 4.2 3.0
assign (resid    4 and  name HE#  )(resid   13 and  name HB#  ) 4.0 5.2 4.0
assign (resid    4 and  name HE#  )(resid   16 and  name HG1# ) 3.0 4.7 4.0
assign (resid    4 and  name HE#  )(resid   89 and  name HG2# ) 4.0 5.7 4.5
assign (resid    4 and  name HE#  )(resid   13 and  name HA   ) 3.0 3.2 2.5
assign (resid    4 and  name HE#  )(resid   86 and  name HG   ) 4.0 4.2 3.0
assign (resid    4 and  name HE#  )(resid  102 and  name HB#  ) 4.0 5.2 4.0
assign (resid   27 and  name HD2  )(resid   28 and  name HB#  ) 4.0 3.2 2.0 !
assign (resid   59 and  name HD1  )(resid   61 and  name HG2# ) 4.0 3.7 2.5 !
assign (resid   27 and  name HD2  )(resid   57 and  name HD#  ) 4.0 4.2 3.0
assign (resid   27 and  name HD2  )(resid   57 and  name HE#  ) 4.0 4.2 3.0
assign (resid   59 and  name HD1  )(resid   23 and  name HA2  ) 4.0 2.2 1.0
assign (resid   59 and  name HD1  )(resid   22 and  name HB#  ) 4.0 3.7 2.5
assign (resid   59 and  name HD1  )(resid   78 and  name HG1# ) 4.0 3.7 2.5
assign (resid   59 and  name HD1  )(resid   19 and  name HB#  ) 3.0 2.7 2.0
assign (resid   50 and  name HE#  )(resid   44 and  name HB2  ) 4.0 4.2 3.0
assign (resid   50 and  name HE#  )(resid   79 and  name HG1# ) 4.0 5.7 4.5
assign (resid   50 and  name HE#  )(resid   79 and  name HG2# ) 4.0 5.7 4.5
assign (resid   50 and  name HE#  )(resid   88 and  name HA2  ) 4.0 4.2 3.0
assign (resid   50 and  name HE#  )(resid   90 and  name HD#  ) 4.0 5.7 4.5
assign (resid   27 and  name HD2  )(resid   57 and  name HD#  ) 4.0 4.2 3.0
assign (resid   27 and  name HD2  )(resid   57 and  name HE#  ) 4.0 4.2 3.0
assign (resid   50 and  name HZ   )(resid   79 and  name HB   ) 4.0 2.2 1.0
assign (resid   50 and  name HZ   )(resid   79 and  name HG1# ) 4.0 3.7 2.5
assign (resid   50 and  name HZ   )(resid   79 and  name HG2# ) 4.0 3.7 2.5

assign (resid   48 and  name HD#  )(resid   48 and  name HA   ) 3.0 3.2 2.5
assign (resid   92 and  name HD2  )(resid   92 and  name HB2  ) 4.0 2.2 1.0

!! peak number 1193 - 1504

assign (resid   80 and  name HZ   )(resid   23 and  name HA   ) 4.0 2.2 1.0
assign (resid   80 and  name HZ   )(resid   39 and  name HB#  ) 4.0 3.2 2.0
assign (resid   80 and  name HZ   )(resid   39 and  name HG#  ) 4.0 3.2 2.0
assign (resid   80 and  name HZ   )(resid   24 and  name HA   ) 4.0 2.2 1.0
!assign (resid   50 and  name HZ   )(resid   42 and  name HB2  ) 4.0 2.2 1.0
assign (resid   80 and  name HZ   )(resid   23 and  name HA2  ) 4.0 2.2 1.0
assign (resid   50 and  name HZ   )(resid   48 and  name HB#  ) 3.0 2.2 1.5
assign (resid   57 and  name HD#  )(resid   56 and  name HA   ) 3.0 3.2 2.5
assign (resid   57 and  name HE#  )(resid   56 and  name HA   ) 3.0 3.2 2.5
assign (resid   57 and  name HE#  )(resid   41 and  name HG#  ) 3.0 4.2 3.5
assign (resid   57 and  name HD#  )(resid   41 and  name HG#  ) 3.0 4.2 3.5
assign (resid   57 and  name HD#  )(resid   41 and  name HE#  ) 4.0 5.2 4.0
assign (resid   57 and  name HE#  )(resid   41 and  name HE#  ) 4.0 5.2 4.0
assign (resid   80 and  name HZ   )(resid   23 and  name HA#  ) 3.0 2.2 1.5
assign (resid   80 and  name HZ   )(resid   39 and  name HG#  ) 3.0 2.2 3.0 !
assign (resid   57 and  name HD#  )(resid   79 and  name HG1# ) 4.0 5.7 4.5
!assign (resid   57 and  name HD#  )(resid   58 and  name HB2  ) 4.0 4.2 3.0
assign (resid   50 and  name HZ   )(resid   79 and  name HG2# ) 4.0 3.7 2.5
assign (resid   11 and  name HE#  )(resid   16 and  name HG2# ) 4.0 5.7 4.5
assign (resid   11 and  name HE#  )(resid   61 and  name HD#  ) 4.0 5.7 4.5
assign (resid   80 and  name HZ   )(resid   23 and  name HA1  ) 4.0 2.2 1.0
assign (resid   11 and  name HE#  )(resid   61 and  name HG1# ) 4.0 5.2 4.0
assign (resid   44 and  name HN   )(resid   43 and  name HB2  ) 4.0 2.2 1.0
assign (resid   91 and  name HA   )(resid   76 and  name HB#  ) 4.0 3.2 2.0
assign (resid   91 and  name HA   )(resid   90 and  name HG2# ) 4.0 3.7 2.5
assign (resid   80 and  name HA   )(resid   87 and  name HB#  ) 4.0 3.7 2.5
assign (resid   80 and  name HA   )(resid   81 and  name HB#  ) 4.0 3.2 2.0
!assign (resid   80 and  name HA   )(resid   86 and  name HG   ) 4.0 2.2 1.0
assign (resid   76 and  name HA   )(resid    6 and  name HB2  ) 4.0 2.2 1.0
assign (resid   76 and  name HA   )(resid   61 and  name HG2# ) 4.0 3.7 2.5
assign (resid   40 and  name HA   )(resid   41 and  name HB#  ) 4.0 3.2 2.0
assign (resid   32 and  name HA   )(resid   39 and  name HD#  ) 4.0 3.2 2.0
assign (resid   32 and  name HA   )(resid   26 and  name HD1# ) 4.0 3.7 2.5
assign (resid   32 and  name HA   )(resid   26 and  name HG   ) 4.0 2.2 1.0
assign (resid   11 and  name HA   )(resid    2 and  name HB2  ) 3.0 1.2 2.0 !
assign (resid   12 and  name HA   )(resid   16 and  name HG2# ) 4.0 3.7 2.5
!assign (resid   11 and  name HA   )(resid   61 and  name HD#  ) 4.0 3.7 2.5
assign (resid   59 and  name HA   )(resid   61 and  name HD2  ) 3.0 1.2 0.5
assign (resid   59 and  name HA   )(resid   60 and  name HG#  ) 4.0 3.2 2.0
assign (resid    6 and  name HA   )(resid    7 and  name HA2  ) 4.0 2.2 1.0
assign (resid    6 and  name HA   )(resid    7 and  name HA1  ) 4.0 2.2 1.0
assign (resid    6 and  name HA   )(resid    5 and  name HG2# ) 4.0 3.7 2.5
assign (resid   11 and  name HA   )(resid   16 and  name HG2# ) 4.0 3.7 2.5
!assign (resid   56 and  name HA   )(resid   50 and  name HB#  ) 4.0 3.2 2.0
assign (resid   56 and  name HA   )(resid   81 and  name HB2  ) 4.0 2.2 1.0
assign (resid   79 and  name HA   )(resid   80 and  name HB2  ) 4.0 2.2 1.0
assign (resid   79 and  name HA   )(resid   20 and  name HG#  ) 4.0 3.2 2.0
assign (resid   90 and  name HA   )(resid  102 and  name HB#  ) 3.0 2.2 3.0
assign (resid   90 and  name HA   )(resid  100 and  name HB2  ) 4.0 2.2 1.0
assign (resid    5 and  name HA   )(resid    2 and  name HB#  ) 4.0 3.2 2.0
!assign (resid   90 and  name HA   )(resid  103 and  name HB2  ) 3.0 1.2 2.0
!assign (resid   90 and  name HA   )(resid   43 and  name HB#  ) 4.0 3.2 2.0
assign (resid   92 and  name HA   )(resid   99 and  name HB#  ) 3.0 2.2 3.0 !
assign (resid   34 and  name HA#  )(resid   33 and  name HG1# ) 4.0 4.7 3.5
assign (resid   34 and  name HA#  )(resid   33 and  name HB   ) 4.0 3.2 2.0
assign (resid   99 and  name HA   )(resid   95 and  name HB#  ) 3.0 2.7 2.0
assign (resid   92 and  name HA   )(resid  101 and  name HG2# ) 4.0 3.7 2.5
assign (resid   99 and  name HA   )(resid   98 and  name HB2  ) 4.0 2.2 1.0
!assign (resid   92 and  name HA   )(resid   93 and  name HG2# ) 4.0 3.7 2.5
assign (resid   34 and  name HA   )(resid   33 and  name HG2# ) 4.0 3.7 2.5
assign (resid   34 and  name HA#  )(resid   33 and  name HB   ) 4.0 3.2 2.0
assign (resid   77 and  name HA   )(resid   60 and  name HD#  ) 4.0 3.2 2.0
!assign (resid   77 and  name HA   )(resid   59 and  name HB#  ) 4.0 3.2 2.0
assign (resid   10 and  name HA   )(resid    2 and  name HA   ) 4.0 2.2 1.0
assign (resid   83 and  name HA   )(resid   82 and  name HB2  ) 4.0 2.2 1.0
assign (resid   77 and  name HA   )(resid   61 and  name HB   ) 4.0 2.2 1.0
assign (resid   77 and  name HA   )(resid   89 and  name HG1# ) 4.0 3.7 2.5 !
assign (resid   77 and  name HA   )(resid   90 and  name HD#  ) 4.0 3.7 2.5
assign (resid   77 and  name HA   )(resid   76 and  name HB2  ) 3.0 1.2 2.0 !
assign (resid   34 and  name HA#  )(resid   33 and  name HB   ) 4.0 3.2 2.0
assign (resid  101 and  name HA   )(resid   91 and  name HG2# ) 4.0 3.7 2.5
assign (resid  103 and  name HA   )(resid  102 and  name HB#  ) 4.0 3.2 2.0
assign (resid  103 and  name HA   )(resid    6 and  name HB#  ) 4.0 3.2 2.0

!! peak number 1505 - 2172

assign (resid   38 and  name HA   )(resid   32 and  name HG2# ) 3.0 2.7 3.5 !
assign (resid   62 and  name HA   )(resid   61 and  name HG1# ) 4.0 3.2 2.0
assign (resid   62 and  name HA   )(resid   76 and  name HB#  ) 3.0 2.2 3.0 !
assign (resid   38 and  name HA   )(resid   33 and  name HG2# ) 4.0 3.7 2.5
assign (resid   52 and  name HA   )(resid   50 and  name HB#  ) 3.0 2.2 3.0 !
assign (resid   38 and  name HA   )(resid   32 and  name HG2# ) 3.0 2.7 3.5 !
assign (resid   62 and  name HA   )(resid   61 and  name HG1# ) 3.0 2.2 3.0 !
assign (resid   98 and  name HA   )(resid   95 and  name HB#  ) 4.0 3.7 2.5
!assign (resid   66 and  name HA   )(resid   62 and  name HG   ) 4.0 2.2 1.0
assign (resid   49 and  name HA   )(resid   50 and  name HB#  ) 4.0 3.2 2.0
assign (resid   89 and  name HA   )(resid   78 and  name HG2# ) 4.0 3.7 2.5
assign (resid   89 and  name HA   )(resid   86 and  name HD1# ) 4.0 3.7 2.5
assign (resid   89 and  name HA   )(resid   90 and  name HG2# ) 4.0 3.7 2.5
assign (resid   95 and  name HA   )(resid  101 and  name HG2# ) 4.0 3.7 2.5
assign (resid   89 and  name HA   )(resid   90 and  name HG1# ) 4.0 3.2 2.0
assign (resid   69 and  name HA   )(resid   33 and  name HG1# ) 4.0 3.7 2.5
assign (resid   15 and  name HA   )(resid   18 and  name HG2# ) 4.0 3.7 2.5
assign (resid    2 and  name HA   )(resid   11 and  name HB#  ) 4.0 3.2 2.0
assign (resid    8 and  name HA   )(resid    7 and  name HA2  ) 4.0 2.2 1.0
assign (resid   89 and  name HA   )(resid   86 and  name HD1# ) 4.0 3.7 2.5
assign (resid   89 and  name HA   )(resid   90 and  name HD#  ) 4.0 3.7 2.5
assign (resid   14 and  name HA   )(resid   15 and  name HB#  ) 4.0 3.2 2.0
assign (resid   14 and  name HA   )(resid   16 and  name HB   ) 4.0 2.2 1.0
assign (resid   69 and  name HA   )(resid   33 and  name HG1# ) 4.0 3.7 2.5
assign (resid   15 and  name HA   )(resid   19 and  name HB#  ) 3.0 2.7 3.5 !
assign (resid   85 and  name HA   )(resid   52 and  name HG1# ) 4.0 3.7 2.5
assign (resid   85 and  name HA   )(resid   84 and  name HA   ) 4.0 2.2 1.0
assign (resid   69 and  name HA   )(resid   34 and  name HA2  ) 4.0 2.2 1.0
assign (resid   85 and  name HA   )(resid   52 and  name HG2# ) 4.0 3.7 2.5
assign (resid   39 and  name HD#  )(resid   60 and  name HD#  ) 4.0 4.2 3.0
assign (resid   19 and  name HA   )(resid   67 and  name HG1# ) 4.0 3.7 2.5
assign (resid   19 and  name HA   )(resid   67 and  name HG2# ) 4.0 3.7 2.5
assign (resid   19 and  name HA   )(resid   18 and  name HG2# ) 4.0 3.7 2.5
assign (resid   19 and  name HA   )(resid   22 and  name HB#  ) 3.0 2.7 2.0
assign (resid   39 and  name HD#  )(resid   26 and  name HB#  ) 4.0 4.2 3.0
assign (resid   39 and  name HD#  )(resid   26 and  name HD1# ) 4.0 4.7 3.5
assign (resid   39 and  name HD#  )(resid   32 and  name HG2# ) 4.0 4.7 3.5
assign (resid   61 and  name HA   )(resid   78 and  name HG1# ) 4.0 3.7 2.5
assign (resid   18 and  name HB   )(resid   19 and  name HB#  ) 3.0 2.7 2.0
assign (resid   61 and  name HA   )(resid   62 and  name HG   ) 4.0 2.2 1.0
assign (resid   18 and  name HB   )(resid   21 and  name HB#  ) 4.0 3.7 2.5
assign (resid   87 and  name HA   )(resid   86 and  name HB#  ) 4.0 3.2 2.0
assign (resid   41 and  name HA   )(resid   42 and  name HB2  ) 4.0 2.2 1.0
assign (resid   41 and  name HA   )(resid   42 and  name HB1  ) 4.0 2.2 1.0
assign (resid   87 and  name HA   )(resid   52 and  name HG2# ) 3.0 2.7 2.0
assign (resid   60 and  name HA   )(resid   61 and  name HG2# ) 4.0 3.7 2.5
assign (resid   43 and  name HA   )(resid   56 and  name HB#  ) 4.0 3.2 2.0
assign (resid   60 and  name HA   )(resid   77 and  name HB#  ) 3.0 2.2 1.5
assign (resid   87 and  name HA   )(resid   52 and  name HG1# ) 4.0 3.7 2.5
assign (resid   34 and  name HA2  )(resid   33 and  name HG2# ) 4.0 3.7 2.5
assign (resid  102 and  name HA   )(resid   90 and  name HG2# ) 3.0 2.7 2.0
assign (resid   17 and  name HA   )(resid   21 and  name HB#  ) 4.0 3.7 2.5
assign (resid   17 and  name HA   )(resid   16 and  name HG1# ) 4.0 3.7 2.5
!assign (resid  102 and  name HA   )(resid  101 and  name HG1# ) 4.0 3.7 2.5
assign (resid   12 and  name HA   )(resid    1 and  name HB#  ) 4.0 3.7 2.5
assign (resid   17 and  name HA   )(resid   16 and  name HG2# ) 4.0 3.7 2.5
assign (resid   73 and  name HA   )(resid   60 and  name HG#  ) 4.0 3.2 2.0
assign (resid   91 and  name HB   )(resid   90 and  name HG1# ) 4.0 3.2 2.0
assign (resid   91 and  name HB   )(resid    6 and  name HB#  ) 3.0 2.2 1.5
assign (resid   22 and  name HA   )(resid   21 and  name HB#  ) 4.0 3.7 2.5
assign (resid   17 and  name HB#  )(resid   16 and  name HB   ) 4.0 3.2 2.0
assign (resid   86 and  name HA   )(resid   52 and  name HG2# ) 3.0 2.7 2.0
assign (resid   13 and  name HB#  )(resid   86 and  name HG   ) 4.0 3.2 2.0
assign (resid   86 and  name HA   )(resid   80 and  name HB2  ) 4.0 2.2 1.0
assign (resid   68 and  name HA   )(resid   62 and  name HD1# ) 3.0 2.7 2.0
assign (resid   32 and  name HB   )(resid   37 and  name HA   ) 4.0 2.2 1.0
assign (resid   32 and  name HB   )(resid   33 and  name HG2# ) 3.0 2.7 3.5 !
assign (resid   18 and  name HA   )(resid   22 and  name HB#  ) 3.0 2.7 3.5 !
assign (resid   14 and  name HB#  )(resid    1 and  name HB#  ) 4.0 4.7 3.5
assign (resid   26 and  name HA   )(resid   31 and  name HB2  ) 4.0 2.2 1.0
assign (resid   26 and  name HA   )(resid   31 and  name HG#  ) 4.0 3.2 2.0
assign (resid   26 and  name HA   )(resid   31 and  name HB1  ) 4.0 2.2 1.0
assign (resid   37 and  name HB2  )(resid   32 and  name HG2# ) 4.0 3.7 2.5
assign (resid   96 and  name HB#  )(resid   95 and  name HB#  ) 4.0 4.7 3.5
assign (resid   74 and  name HA2  )(resid   75 and  name HB#  ) 4.0 3.7 2.5
assign (resid   88 and  name HA1  )(resid   89 and  name HG2# ) 4.0 3.7 2.5
assign (resid   84 and  name HA   )(resid   80 and  name HB#  ) 4.0 3.2 2.0
assign (resid   25 and  name HA   )(resid   24 and  name HB#  ) 3.0 2.2 3.0 !
assign (resid   54 and  name HB#  )(resid   55 and  name HG#  ) 3.0 3.2 4.0 ! 
assign (resid   25 and  name HA   )(resid   28 and  name HB#  ) 4.0 3.2 2.0
assign (resid   54 and  name HB1  )(resid   55 and  name HB#  ) 3.0 2.2 3.0 !
assign (resid   16 and  name HA   )(resid   15 and  name HB#  ) 3.0 2.2 3.0 !
assign (resid   16 and  name HA   )(resid   19 and  name HB#  ) 4.0 3.7 2.5
!assign (resid   40 and  name HB2  )(resid   39 and  name HB#  ) 4.0 3.2 2.0
assign (resid   16 and  name HA   )(resid   78 and  name HG1# ) 4.0 3.7 2.5
assign (resid   16 and  name HA   )(resid   11 and  name HB#  ) 4.0 3.2 2.0
assign (resid   92 and  name HB#  )(resid   75 and  name HB#  ) 3.0 3.7 3.0
assign (resid   38 and  name HB#  )(resid   60 and  name HD#  ) 4.0 4.7 3.5
assign (resid   20 and  name HA   )(resid   78 and  name HG1# ) 3.0 2.7 2.0
assign (resid   59 and  name HB#  )(resid   60 and  name HD#  ) 4.0 4.2 3.0
assign (resid   27 and  name HB#  )(resid   39 and  name HB#  ) 3.0 3.2 2.5
assign (resid   11 and  name HB#  )(resid    9 and  name HB#  ) 3.0 3.2 2.5
assign (resid   11 and  name HB#  )(resid    4 and  name HB#  ) 3.0 3.2 2.5
assign (resid   99 and  name HB#  )(resid   95 and  name HB#  ) 3.0 3.7 3.0
assign (resid   80 and  name HB#  )(resid   24 and  name HB#  ) 4.0 4.2 3.0
assign (resid   80 and  name HB#  )(resid   20 and  name HG2  ) 4.0 3.2 2.0
assign (resid   59 and  name HB#  )(resid   78 and  name HG1# ) 3.0 3.7 4.5 !
assign (resid    6 and  name HB#  )(resid   91 and  name HG2# ) 4.0 4.7 3.5
assign (resid    6 and  name HB#  )(resid    9 and  name HB2  ) 3.0 2.2 3.0 !
assign (resid   83 and  name HB#  )(resid   85 and  name HG#  ) 4.0 4.2 3.0
assign (resid   15 and  name HB#  )(resid   18 and  name HG2# ) 4.0 4.7 3.5
assign (resid   76 and  name HB#  )(resid   61 and  name HG2# ) 3.0 3.7 3.0
assign (resid  100 and  name HB#  )(resid   46 and  name HG#  ) 4.0 4.2 3.0 !
assign (resid   50 and  name HB2  )(resid   87 and  name HB#  ) 4.0 3.7 2.5
assign (resid   38 and  name HB2  )(resid   33 and  name HG1# ) 3.0 2.7 2.0
assign (resid   38 and  name HB2  )(resid   32 and  name HG2# ) 3.0 2.7 3.5 !

assign (resid   62 and  name HA   )(resid   62 and  name HD1# ) 3.0 2.7 2.0

!! peak number 2175 - 2500

assign (resid   29 and  name HB#  )(resid   31 and  name HB2  ) 3.0 2.2 3.0 !
assign (resid   29 and  name HB#  )(resid   26 and  name HD1# ) 3.0 3.7 4.5 !
assign (resid   56 and  name HB2  )(resid   42 and  name HB2  ) 4.0 2.2 1.0
assign (resid    2 and  name HB2  )(resid    1 and  name HB#  ) 4.0 3.7 2.5
assign (resid   42 and  name HB2  )(resid   79 and  name HG1# ) 4.0 3.7 2.5
assign (resid   11 and  name HB1  )(resid   61 and  name HD1# ) 4.0 3.7 2.5
assign (resid    3 and  name HB#  )(resid   16 and  name HG2# ) 4.0 4.7 4.0
assign (resid  100 and  name HB2  )(resid   90 and  name HB   ) 4.0 2.2 1.0
assign (resid   29 and  name HB2  )(resid   31 and  name HB2  ) 4.0 2.2 1.0
assign (resid  100 and  name HB2  )(resid   90 and  name HG2# ) 4.0 3.7 2.5
assign (resid  100 and  name HB2  )(resid  101 and  name HG2# ) 4.0 3.7 2.5
assign (resid    4 and  name HB#  )(resid   61 and  name HD1# ) 4.0 4.7 4.0
assign (resid   39 and  name HB#  )(resid   60 and  name HD#  ) 3.0 3.2 4.0 !
assign (resid   11 and  name HB2  )(resid   16 and  name HG2# ) 3.0 2.7 3.5 !
assign (resid    4 and  name HB2  )(resid   89 and  name HG2# ) 4.0 3.7 2.5
assign (resid   66 and  name HB1  )(resid   62 and  name HD1# ) 4.0 3.7 2.5
assign (resid   81 and  name HB#  )(resid   52 and  name HG2# ) 4.0 3.7 2.5
assign (resid   36 and  name HB2  )(resid   33 and  name HG2# ) 4.0 3.7 2.5
assign (resid   80 and  name HB2  )(resid   20 and  name HG2  ) 4.0 2.2 1.0
assign (resid   60 and  name HD1  )(resid   68 and  name HB#  ) 3.0 2.2 1.5
assign (resid   60 and  name HD1  )(resid   23 and  name HA#  ) 4.0 3.2 2.0
assign (resid   83 and  name HB2  )(resid   85 and  name HG#  ) 4.0 3.2 2.0
assign (resid   42 and  name HB#  )(resid   41 and  name HG#  ) 4.0 4.2 3.0
assign (resid   42 and  name HB#  )(resid   58 and  name HB#  ) 4.0 4.2 3.0
assign (resid   42 and  name HB#  )(resid   79 and  name HG1# ) 4.0 4.7 3.5
assign (resid  101 and  name HB   )(resid  102 and  name HG#  ) 3.0 2.2 3.0 !
assign (resid   68 and  name HB#  )(resid   60 and  name HB2  ) 4.0 3.2 2.0
assign (resid   68 and  name HB#  )(resid   60 and  name HB1  ) 3.0 2.2 1.5
assign (resid   68 and  name HB#  )(resid   62 and  name HD1# ) 3.0 3.7 3.0
assign (resid   68 and  name HB#  )(resid   67 and  name HG2# ) 3.0 3.7 4.5 !
assign (resid   68 and  name HB#  )(resid   62 and  name HD2# ) 3.0 3.7 3.0
assign (resid   68 and  name HB#  )(resid   60 and  name HG#  ) 4.0 4.2 3.0
assign (resid   25 and  name HG#  )(resid   28 and  name HB#  ) 3.0 3.2 4.0 !
assign (resid   16 and  name HB   )(resid   89 and  name HG2# ) 4.0 3.7 2.5
assign (resid   16 and  name HB   )(resid   20 and  name HB#  ) 4.0 3.2 2.0
assign (resid   16 and  name HB   )(resid   78 and  name HG1# ) 4.0 3.7 2.5
assign (resid   16 and  name HB   )(resid   20 and  name HG2  ) 3.0 1.2 2.0 !
assign (resid   31 and  name HG#  )(resid   26 and  name HD2# ) 3.0 3.7 3.0

!! peak number 2509 - 3195

assign (resid  102 and  name HB2  )(resid   90 and  name HG2# ) 4.0 3.7 2.5
!assign (resid   43 and  name HB#  )(resid   41 and  name HB#  ) 4.0 4.2 3.0
assign (resid   23 and  name HA1  )(resid   22 and  name HB#  ) 4.0 3.7 2.5
!assign (resid   44 and  name HB#  )(resid   41 and  name HD#  ) 4.0 4.2 3.0
assign (resid   25 and  name HB2  )(resid   22 and  name HB#  ) 4.0 3.7 2.5
!assign (resid   25 and  name HB2  )(resid   26 and  name HD1# ) 4.0 3.7 2.5
assign (resid   78 and  name HB   )(resid   16 and  name HG1# ) 4.0 3.7 2.5
assign (resid   78 and  name HB   )(resid   19 and  name HB#  ) 4.0 3.7 2.5
assign (resid   85 and  name HB2  )(resid   52 and  name HG1# ) 3.0 2.7 2.0
assign (resid   85 and  name HB2  )(resid   52 and  name HG2# ) 4.0 3.7 2.5
assign (resid   31 and  name HB2  )(resid   26 and  name HD1# ) 3.0 2.7 2.0
assign (resid  102 and  name HB1  )(resid   90 and  name HG2# ) 4.0 3.7 2.5
!assign (resid   20 and  name HG2  )(resid   18 and  name HG2# ) 3.0 2.7 3.5
assign (resid   19 and  name HB#  )(resid   61 and  name HG12 ) 4.0 3.7 2.5
assign (resid   19 and  name HB#  )(resid   78 and  name HG1# ) 3.0 4.2 3.5
assign (resid   19 and  name HB#  )(resid   21 and  name HB#  ) 4.0 5.2 4.0
assign (resid   58 and  name HB#  )(resid   77 and  name HB#  ) 3.0 3.2 2.5 
assign (resid   86 and  name HB#  )(resid   89 and  name HG2# ) 4.0 4.7 3.5 
assign (resid   22 and  name HB#  )(resid   67 and  name HG1# ) 3.0 4.2 3.5
assign (resid   22 and  name HB#  )(resid   67 and  name HG2# ) 3.0 4.2 3.5
assign (resid   62 and  name HG   )(resid   60 and  name HG#  ) 4.0 3.2 2.0
assign (resid   21 and  name HB#  )(resid   18 and  name HG2# ) 4.0 5.2 4.0
assign (resid   95 and  name HB#  )(resid  101 and  name HG2# ) 3.0 4.2 3.5
assign (resid   91 and  name HG2# )(resid  101 and  name HG1# ) 3.0 4.2 3.5
assign (resid   91 and  name HG2# )(resid   90 and  name HG2# ) 4.0 5.2 4.0
assign (resid   61 and  name HB   )(resid   16 and  name HG1# ) 4.0 3.7 2.5
assign (resid   77 and  name HB#  )(resid   78 and  name HG1# ) 4.0 4.7 3.5
assign (resid   46 and  name HB#  )(resid  101 and  name HG2# ) 4.0 4.7 3.5
assign (resid   78 and  name HG1# )(resid   61 and  name HG2# ) 4.0 5.2 4.0
assign (resid   78 and  name HG1# )(resid   61 and  name HD1# ) 3.0 4.2 3.5
assign (resid   16 and  name HG1# )(resid   89 and  name HG2# ) 3.0 4.2 3.5
assign (resid   89 and  name HG1# )(resid   61 and  name HG2# ) 4.0 2.2 1.0
!assign (resid   90 and  name HG1# )(resid   89 and  name HG2# ) 4.0 4.7 3.5
assign (resid   87 and  name HB#  )(resid   90 and  name HD1# ) 3.0 4.2 3.5


! ******************** MANUAL ASSIGNMENTS (INTRA RESIDUE) *******************

assign (resid   13 and  name HN   )(resid   13 and  name HB#  ) 2.5 1.7 1.2
assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 3.0 1.2 0.5
assign (resid   33 and  name HN   )(resid   33 and  name HG2# ) 4.0 4.2 2.5
assign (resid   33 and  name HN   )(resid   33 and  name HG1# ) 2.5 2.7 2.2
assign (resid   33 and  name HN   )(resid   33 and  name HB   ) 4.0 2.2 1.0
assign (resid   33 and  name HN   )(resid   33 and  name HA   ) 4.0 2.2 1.0
assign (resid   77 and  name HN   )(resid   77 and  name HB#  ) 4.0 3.2 1.5
assign (resid   77 and  name HN   )(resid   77 and  name HA   ) 4.0 2.2 0.5
!assign (resid   12 and  name HN   )(resid   12 and  name HA   ) 2.5 0.7 0.2
assign (resid   91 and  name HN   )(resid   91 and  name HA   ) 4.0 2.2 1.0
assign (resid   91 and  name HN   )(resid   91 and  name HG2# ) 2.5 2.2 1.7
assign (resid    7 and  name HN   )(resid    7 and  name HA#  ) 2.5 1.3 0.8
assign (resid   12 and  name HN   )(resid   12 and  name HB2  ) 4.0 2.2 1.0
assign (resid  101 and  name HN   )(resid  101 and  name HA   ) 4.0 2.2 1.0
assign (resid  101 and  name HN   )(resid  101 and  name HG1# ) 4.0 3.7 2.5
assign (resid  101 and  name HN   )(resid  101 and  name HG2# ) 2.5 2.2 1.7
assign (resid  101 and  name HN   )(resid  101 and  name HB   ) 4.0 2.2 1.0
assign (resid   93 and  name HN   )(resid   93 and  name HA   ) 3.0 1.2 0.5
assign (resid   93 and  name HN   )(resid   93 and  name HA   ) 3.0 1.2 0.5
assign (resid   51 and  name HN   )(resid   51 and  name HB1  ) 4.0 2.2 1.0 
assign (resid   51 and  name HN   )(resid   51 and  name HA   ) 3.0 1.2 0.5
assign (resid   51 and  name HN   )(resid   51 and  name HB2  ) 4.0 2.2 1.0
assign (resid   92 and  name HN   )(resid   92 and  name HA   ) 4.0 2.2 1.0
assign (resid   68 and  name HN   )(resid   68 and  name HB#  ) 3.0 2.2 1.5
assign (resid   41 and  name HN   )(resid   41 and  name HA   ) 4.0 2.2 1.0
assign (resid   41 and  name HN   )(resid   41 and  name HB#  ) 2.5 1.7 1.2
assign (resid   11 and  name HN   )(resid   11 and  name HB1  ) 4.0 2.2 1.0
assign (resid   11 and  name HN   )(resid   11 and  name HB2  ) 4.0 2.2 1.0
assign (resid   11 and  name HN   )(resid   11 and  name HD#  ) 4.0 4.2 3.0
assign (resid   11 and  name HN   )(resid   11 and  name HA   ) 4.0 2.2 1.0
assign (resid   92 and  name HN   )(resid   92 and  name HB#  ) 4.0 3.2 2.0
assign (resid   35 and  name HN   )(resid   35 and  name HA   ) 3.0 1.2 0.5
assign (resid   68 and  name HN   )(resid   68 and  name HB#  ) 4.0 3.2 2.0
assign (resid   59 and  name HE1  )(resid   59 and  name HZ2  ) 3.0 1.2 0.5
assign (resid   59 and  name HE1  )(resid   59 and  name HD1  ) 4.0 2.2 1.0 
assign (resid    5 and  name HN   )(resid    5 and  name HB   ) 4.0 2.2 1.0
assign (resid    5 and  name HN   )(resid    5 and  name HA   ) 4.0 2.2 1.0
assign (resid   87 and  name HN   )(resid   87 and  name HA   ) 4.0 2.2 1.0
assign (resid   87 and  name HN   )(resid   87 and  name HB#  ) 2.5 2.2 1.7
assign (resid   20 and  name HN   )(resid   20 and  name HA   ) 3.0 1.2 0.5
!assign (resid   20 and  name HN   )(resid   20 and  name HG#  ) 2.5 1.7 1.2
assign (resid   20 and  name HN   )(resid   20 and  name HB#  ) 2.5 1.7 1.2
assign (resid   78 and  name HN   )(resid   78 and  name HA   ) 4.0 2.2 1.0
assign (resid   78 and  name HN   )(resid   78 and  name HB   ) 4.0 2.2 1.0
assign (resid   63 and  name HN   )(resid   63 and  name HA   ) 3.0 1.2 0.5
assign (resid    8 and  name HN   )(resid    8 and  name HA   ) 3.0 1.2 0.5
assign (resid    6 and  name HN   )(resid    6 and  name HB1  ) 4.0 2.2 1.0
assign (resid    6 and  name HN   )(resid    6 and  name HA   ) 4.0 2.2 1.0
assign (resid  100 and  name HN   )(resid  100 and  name HB#  ) 4.0 3.2 2.0
assign (resid  100 and  name HN   )(resid  100 and  name HA   ) 4.0 2.2 1.0
assign (resid  100 and  name HN   )(resid  100 and  name HD#  ) 3.0 3.2 2.5
assign (resid  100 and  name HN   )(resid  100 and  name HE#  ) 4.0 4.2 3.0                                                                                                                                                                                                     
assign (resid   46 and  name HN   )(resid   46 and  name HG#  ) 3.0 1.2 0.5
assign (resid   46 and  name HN   )(resid   46 and  name HB1  ) 3.0 1.2 0.5
assign (resid   46 and  name HN   )(resid   46 and  name HB2  ) 4.0 2.2 1.0
assign (resid   46 and  name HN   )(resid   46 and  name HA   ) 3.0 1.2 0.5
assign (resid   58 and  name HN   )(resid   58 and  name HB1  ) 4.0 2.2 1.0
assign (resid   58 and  name HN   )(resid   58 and  name HB2  ) 4.0 2.2 1.0
!assign (resid   58 and  name HN   )(resid   58 and  name HA   ) 2.5 0.7 0.2
assign (resid   94 and  name HN   )(resid   94 and  name HA#  ) 2.5 1.3 0.8
assign (resid   38 and  name HN   )(resid   38 and  name HA   ) 4.0 2.2 1.0
assign (resid   38 and  name HN   )(resid   38 and  name HD#  ) 4.0 4.2 3.0
assign (resid   38 and  name HN   )(resid   38 and  name HB1  ) 4.0 2.2 1.0
assign (resid   76 and  name HN   )(resid   76 and  name HB2  ) 4.0 2.2 1.0
assign (resid   42 and  name HN   )(resid   42 and  name HA   ) 4.0 2.2 1.0
assign (resid   76 and  name HN   )(resid   76 and  name HA   ) 4.0 2.2 1.0
assign (resid   38 and  name HN   )(resid   38 and  name HB2  ) 3.0 1.2 0.5
assign (resid   42 and  name HN   )(resid   42 and  name HB1  ) 3.0 1.2 0.5
assign (resid   42 and  name HN   )(resid   42 and  name HB2  ) 4.0 2.2 1.0
assign (resid   49 and  name HN   )(resid   49 and  name HA   ) 4.0 2.2 1.0
assign (resid   90 and  name HN   )(resid   90 and  name HD#  ) 4.0 2.2 1.0
assign (resid   90 and  name HN   )(resid   90 and  name HG2# ) 3.0 2.7 2.0
assign (resid   90 and  name HN   )(resid   90 and  name HA   ) 4.0 2.2 1.0
assign (resid   90 and  name HN   )(resid   90 and  name HG1# ) 4.0 3.2 2.0
assign (resid  102 and  name HN   )(resid  102 and  name HB#  ) 2.5 1.7 1.2
!assign (resid  102 and  name HN   )(resid  102 and  name HA   ) 2.5 0.7 0.2
!assign (resid  103 and  name HN   )(resid  103 and  name HA   ) 2.5 0.7 0.2
assign (resid  103 and  name HN   )(resid  103 and  name HB2  ) 4.0 2.2 1.0
assign (resid   75 and  name HN   )(resid   75 and  name HB#  ) 2.5 2.2 1.7
assign (resid  103 and  name HN   )(resid  103 and  name HB1  ) 3.0 1.2 0.5
assign (resid   98 and  name HN   )(resid   98 and  name HB1  ) 4.0 2.2 1.0
assign (resid   75 and  name HN   )(resid   75 and  name HA   ) 4.0 2.2 1.0
assign (resid   98 and  name HN   )(resid   98 and  name HB2  ) 3.0 1.2 0.5
assign (resid   98 and  name HN   )(resid   98 and  name HA   ) 4.0 2.2 1.0
assign (resid   34 and  name HN   )(resid   34 and  name HA1  ) 3.0 1.2 0.5
assign (resid   97 and  name HN   )(resid   97 and  name HA#  ) 2.5 1.3 0.8
assign (resid   67 and  name HN   )(resid   67 and  name HG2# ) 2.5 2.2 1.7
assign (resid   17 and  name HN   )(resid   17 and  name HA   ) 3.0 1.2 0.5
!assign (resid   24 and  name HN   )(resid   24 and  name HB2  ) 2.5 0.7 0.2
assign (resid   17 and  name HN   )(resid   17 and  name HB#  ) 2.5 1.7 1.2
assign (resid   24 and  name HN   )(resid   24 and  name HA   ) 3.0 1.2 0.5
assign (resid   24 and  name HN   )(resid   24 and  name HB1  ) 2.5 0.7 0.2
assign (resid   24 and  name HN   )(resid   24 and  name HD#  ) 3.0 3.2 2.5
assign (resid   36 and  name HN   )(resid   36 and  name HA   ) 3.0 1.2 0.5
assign (resid   36 and  name HN   )(resid   36 and  name HB2  ) 4.0 2.2 1.0
assign (resid   36 and  name HN   )(resid   36 and  name HB1  ) 3.0 1.2 0.5
assign (resid    2 and  name HN   )(resid    2 and  name HB2  ) 4.0 2.2 1.0
assign (resid    2 and  name HN   )(resid    2 and  name HB1  ) 4.0 2.2 1.0
assign (resid    2 and  name HN   )(resid    2 and  name HA   ) 4.0 2.2 1.0
assign (resid   45 and  name HN   )(resid   45 and  name HA   ) 3.0 1.2 0.5
assign (resid   81 and  name HN   )(resid   81 and  name HA   ) 4.0 2.2 1.0
assign (resid   43 and  name HN   )(resid   43 and  name HB#  ) 3.0 2.2 1.5
!assign (resid   43 and  name HN   )(resid   43 and  name HA   ) 2.5 0.7 0.2
assign (resid   45 and  name HN   )(resid   45 and  name HB#  ) 3.0 2.2 1.5
assign (resid   28 and  name HN   )(resid   28 and  name HB#  ) 2.5 1.7 1.2
assign (resid   28 and  name HN   )(resid   28 and  name HA   ) 3.0 1.2 0.5
assign (resid   59 and  name HN   )(resid   59 and  name HB1  ) 4.0 2.2 1.0
assign (resid   59 and  name HN   )(resid   59 and  name HB2  ) 4.0 2.2 1.0
assign (resid  104 and  name HN   )(resid  104 and  name HG2# ) 3.0 2.7 2.0
assign (resid   86 and  name HN   )(resid   86 and  name HA   ) 4.0 2.2 1.0
!assign (resid    3 and  name HN   )(resid    3 and  name HB1  ) 2.5 0.7 0.2
!assign (resid   86 and  name HN   )(resid   86 and  name HG   ) 3.0 1.2 0.5
assign (resid    3 and  name HN   )(resid    3 and  name HB2  ) 3.0 1.2 0.5
assign (resid   59 and  name HN   )(resid   59 and  name HA   ) 3.0 1.2 0.5
assign (resid   86 and  name HN   )(resid   86 and  name HD2# ) 4.0 3.7 2.5
!assign (resid   86 and  name HN   )(resid   86 and  name HB#  ) 2.5 1.7 1.2
assign (resid   86 and  name HN   )(resid   86 and  name HD1# ) 4.0 3.7 2.5
assign (resid   18 and  name HN   )(resid   18 and  name HG2# ) 3.0 2.7 2.0
!assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 2.5 0.7 0.2
assign (resid    4 and  name HN   )(resid    4 and  name HA   ) 4.0 2.2 1.0
assign (resid   96 and  name HN   )(resid   96 and  name HA   ) 2.5 0.7 0.2
!assign (resid   96 and  name HN   )(resid   96 and  name HB#  ) 2.5 1.7 1.2
assign (resid    4 and  name HN   )(resid    4 and  name HB2  ) 4.0 2.2 1.0
assign (resid    4 and  name HN   )(resid    4 and  name HD#  ) 3.0 3.2 2.5
assign (resid    4 and  name HN   )(resid    4 and  name HB1  ) 4.0 2.2 1.0
assign (resid   48 and  name HN   )(resid   48 and  name HB#  ) 3.0 2.2 1.5
assign (resid   48 and  name HN   )(resid   48 and  name HA   ) 3.0 1.2 0.5 
assign (resid   10 and  name HN   )(resid   10 and  name HB2  ) 3.0 1.2 0.5
assign (resid   10 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 1.0
assign (resid   10 and  name HN   )(resid   10 and  name HB1  ) 3.0 1.2 0.5
!assign (resid   14 and  name HN   )(resid   14 and  name HA   ) 2.5 0.7 0.2
assign (resid   62 and  name HN   )(resid   62 and  name HA   ) 4.0 2.2 1.0
assign (resid   79 and  name HN   )(resid   79 and  name HA   ) 4.0 2.2 1.0
assign (resid   62 and  name HN   )(resid   62 and  name HB#  ) 4.0 3.2 2.0
assign (resid   62 and  name HN   )(resid   62 and  name HB#  ) 4.0 3.2 2.0
assign (resid   84 and  name HN   )(resid   84 and  name HB2  ) 4.0 2.2 1.0
assign (resid   84 and  name HN   )(resid   84 and  name HB#  ) 4.0 3.2 2.0 
assign (resid   84 and  name HN   )(resid   84 and  name HA   ) 2.5 0.7 0.2
assign (resid   80 and  name HN   )(resid   80 and  name HE#  ) 3.0 3.2 3.5 !
assign (resid   27 and  name HE#  )(resid   27 and  name HD#  ) 4.0 4.2 3.0
assign (resid   80 and  name HN   )(resid   80 and  name HB2  ) 4.0 2.2 1.0
assign (resid   80 and  name HN   )(resid   80 and  name HB1  ) 4.0 2.2 1.0 
assign (resid   80 and  name HN   )(resid   80 and  name HA   ) 4.0 2.2 1.0
assign (resid   62 and  name HN   )(resid   62 and  name HA   ) 4.0 2.2 1.0
assign (resid   69 and  name HN   )(resid   69 and  name HB2  ) 4.0 2.2 1.0 
assign (resid   40 and  name HE#  )(resid   40 and  name HD#  ) 4.0 4.2 3.0
assign (resid   56 and  name HN   )(resid   56 and  name HE#  ) 4.0 4.2 3.0
assign (resid   56 and  name HN   )(resid   56 and  name HB1  ) 4.0 2.2 1.0
assign (resid   32 and  name HN   )(resid   32 and  name HG2# ) 3.0 2.7 2.0 
assign (resid   56 and  name HN   )(resid   56 and  name HA   ) 4.0 2.2 1.0
assign (resid   56 and  name HN   )(resid   56 and  name HB2  ) 4.0 2.2 1.0
assign (resid   40 and  name HN   )(resid   40 and  name HA   ) 3.0 1.2 0.5 
assign (resid   40 and  name HN   )(resid   40 and  name HD#  ) 4.0 3.2 2.0
assign (resid   40 and  name HN   )(resid   40 and  name HB2  ) 4.0 2.2 1.0
assign (resid   21 and  name HN   )(resid   21 and  name HB#  ) 3.0 2.7 2.0 
assign (resid    9 and  name HN   )(resid    9 and  name HB#  ) 3.0 2.2 1.5 
assign (resid   89 and  name HN   )(resid   89 and  name HA   ) 4.0 2.2 1.0
assign (resid   89 and  name HN   )(resid   89 and  name HG1# ) 4.0 3.7 2.5
!assign (resid   21 and  name HN   )(resid   21 and  name HA   ) 2.5 0.7 0.2
assign (resid   31 and  name HN   )(resid   31 and  name HG#  ) 4.0 3.2 2.0
assign (resid   54 and  name HN   )(resid   54 and  name HB1  ) 4.0 2.2 1.0
assign (resid   54 and  name HN   )(resid   54 and  name HA   ) 3.0 1.2 0.5 
assign (resid   54 and  name HN   )(resid   54 and  name HB2  ) 3.0 1.2 0.5 
assign (resid   31 and  name HN   )(resid   31 and  name HB1  ) 3.0 1.2 0.5 
assign (resid   31 and  name HN   )(resid   31 and  name HB2  ) 3.0 1.2 0.5 
assign (resid   99 and  name HN   )(resid   99 and  name HA   ) 3.0 1.2 0.5 
assign (resid   65 and  name HN   )(resid   65 and  name HA#  ) 2.5 1.3 0.8 !
!assign (resid   99 and  name HN   )(resid   99 and  name HB#  ) 2.5 1.7 1.2
assign (resid   85 and  name HN   )(resid   85 and  name HB1  ) 4.0 2.2 1.0
assign (resid   85 and  name HN   )(resid   85 and  name HA   ) 3.0 1.2 0.5 
!assign (resid   16 and  name HN   )(resid   16 and  name HA   ) 2.5 0.7 0.2
assign (resid   16 and  name HN   )(resid   16 and  name HG2# ) 2.5 2.2 1.7
assign (resid   16 and  name HN   )(resid   16 and  name HB   ) 3.0 1.2 0.5
assign (resid   85 and  name HN   )(resid   85 and  name HB2  ) 3.0 1.2 0.5 
assign (resid   85 and  name HN   )(resid   85 and  name HG#  ) 4.0 3.2 2.0
assign (resid   95 and  name HN   )(resid   95 and  name HB#  ) 2.5 2.2 1.7
assign (resid   95 and  name HN   )(resid   95 and  name HA   ) 3.0 1.2 0.5 
assign (resid   27 and  name HN   )(resid   27 and  name HB1  ) 3.0 1.2 0.5 
assign (resid   27 and  name HN   )(resid   27 and  name HA   ) 3.0 1.2 0.5 
assign (resid   27 and  name HN   )(resid   27 and  name HB2  ) 3.0 1.2 0.5 
assign (resid   50 and  name HN   )(resid   50 and  name HD#  ) 3.0 3.2 2.5
assign (resid   50 and  name HN   )(resid   50 and  name HA   ) 3.0 1.2 0.5
assign (resid   50 and  name HN   )(resid   50 and  name HB#  ) 3.0 2.2 1.5
assign (resid   74 and  name HN   )(resid   74 and  name HA#  ) 2.5 1.3 0.8
assign (resid   37 and  name HN   )(resid   37 and  name HA   ) 2.5 0.7 0.2
!assign (resid   82 and  name HN   )(resid   82 and  name HA   ) 2.5 0.7 0.2
assign (resid   64 and  name HN   )(resid   64 and  name HB2  ) 4.0 2.2 1.0
assign (resid   64 and  name HN   )(resid   64 and  name HA   ) 3.0 1.2 0.5 
assign (resid   64 and  name HN   )(resid   64 and  name HB1  ) 4.0 2.2 1.0
assign (resid   59 and  name HZ2  )(resid   59 and  name HH2  ) 2.5 0.7 0.2
assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 3.0 1.2 0.5 
assign (resid   19 and  name HN   )(resid   19 and  name HB#  ) 2.5 2.2 1.7
assign (resid   29 and  name HN   )(resid   29 and  name HB2  ) 3.0 1.2 0.5 
assign (resid   29 and  name HN   )(resid   29 and  name HB1  ) 3.0 1.2 0.5 
assign (resid   29 and  name HN   )(resid   29 and  name HA   ) 4.0 2.2 1.0
assign (resid   92 and  name HE#  )(resid   92 and  name HD#  ) 2.5 2.7 2.2
assign (resid   66 and  name HN   )(resid   66 and  name HB2  ) 3.0 1.2 0.5 
assign (resid   66 and  name HN   )(resid   66 and  name HB1  ) 3.0 1.2 0.5 
!assign (resid   25 and  name HN   )(resid   25 and  name HA   ) 2.5 0.7 0.2 
assign (resid   25 and  name HN   )(resid   25 and  name HB1  ) 3.0 1.2 0.5 !
!assign (resid   92 and  name HE1  )(resid   92 and  name HN   ) 4.0 2.2 1.0
!assign (resid   92 and  name HE1  )(resid   92 and  name HA   ) 4.0 2.2 1.0
assign (resid   40 and  name HD#  )(resid   40 and  name HB1  ) 4.0 3.2 2.0
assign (resid   59 and  name HE3  )(resid   59 and  name HB#  ) 2.5 1.7 1.2
assign (resid   40 and  name HD1  )(resid   40 and  name HA   ) 3.0 1.2 0.5 
assign (resid   59 and  name HE3  )(resid   59 and  name HZ3  ) 3.0 1.2 0.5 
assign (resid   80 and  name HD#  )(resid   80 and  name HB#  ) 2.5 3.7 3.2
assign (resid   80 and  name HD#  )(resid   80 and  name HZ   ) 3.0 3.2 2.5 
assign (resid   80 and  name HD#  )(resid   80 and  name HE#  ) 2.5 4.7 4.2
assign (resid   83 and  name HN   )(resid   83 and  name HB2  ) 3.0 1.2 0.5 
assign (resid   83 and  name HN   )(resid   83 and  name HA   ) 3.0 1.2 0.5 
assign (resid   47 and  name HN   )(resid   47 and  name HA#  ) 2.5 1.3 0.8
assign (resid   23 and  name HN   )(resid   23 and  name HA#  ) 2.5 1.3 0.8
assign (resid   48 and  name HE#  )(resid   48 and  name HZ   ) 2.5 2.7 2.2
assign (resid   48 and  name HE#  )(resid   48 and  name HD#  ) 2.5 4.7 4.2
assign (resid   48 and  name HE#  )(resid   48 and  name HA   ) 4.0 4.2 3.0
assign (resid  100 and  name HZ   )(resid  100 and  name HE#  ) 2.5 2.7 2.2
assign (resid   61 and  name HN   )(resid   61 and  name HB   ) 4.0 2.2 1.0
assign (resid  100 and  name HD#  )(resid  100 and  name HB#  ) 2.5 3.7 3.2
assign (resid  100 and  name HD#  )(resid  100 and  name HA   ) 3.0 3.2 2.5 
assign (resid  100 and  name HD#  )(resid  100 and  name HE#  ) 2.5 4.7 4.2
assign (resid   48 and  name HD#  )(resid   48 and  name HB2  ) 2.5 2.7 2.2
!assign (resid   22 and  name HN   )(resid   22 and  name HA   ) 2.5 0.7 0.2
assign (resid   22 and  name HN   )(resid   22 and  name HB#  ) 2.5 2.2 1.7
!assign (resid   48 and  name HN   )(resid   48 and  name HB1  ) 2.5 0.7 0.2
assign (resid   45 and  name HD#  )(resid   45 and  name HB#  ) 2.5 3.7 3.2
assign (resid   88 and  name HN   )(resid   88 and  name HA#  ) 3.0 1.8 1.1 
assign (resid   38 and  name HD#  )(resid   38 and  name HA   ) 4.0 4.2 3.0
assign (resid   38 and  name HD#  )(resid   38 and  name HB1  ) 3.0 3.2 2.5 
assign (resid   38 and  name HN   )(resid   38 and  name HB2  ) 3.0 1.2 0.5 
assign (resid   38 and  name HD#  )(resid   38 and  name HE#  ) 2.5 4.7 4.2 
assign (resid   92 and  name HD#  )(resid   92 and  name HB2  ) 3.0 2.2 1.5 
assign (resid   92 and  name HD#  )(resid   92 and  name HB1  ) 3.0 2.2 1.5 
assign (resid   52 and  name HN   )(resid   52 and  name HA   ) 4.0 2.2 1.0 
assign (resid   52 and  name HN   )(resid   52 and  name HG2# ) 2.5 2.2 1.7 
!assign (resid   26 and  name HN   )(resid   26 and  name HD1# ) 2.5 2.2 1.7 
assign (resid   26 and  name HN   )(resid   26 and  name HA   ) 3.0 1.2 0.5 
!assign (resid   26 and  name HN   )(resid   26 and  name HG   ) 2.5 0.7 0.2 
assign (resid   42 and  name HD#  )(resid   42 and  name HB2  ) 3.0 3.2 2.5 
assign (resid   42 and  name HD#  )(resid   42 and  name HA   ) 3.0 3.2 2.5 
assign (resid   42 and  name HD#  )(resid   42 and  name HE#  ) 2.5 4.7 4.2 
assign (resid   26 and  name HN   )(resid   26 and  name HB#  ) 2.5 1.7 1.2  
assign (resid   42 and  name HD#  )(resid   42 and  name HB#  ) 2.5 3.7 3.2 
assign (resid  100 and  name HE#  )(resid  100 and  name HB1  ) 4.0 4.2 3.0
assign (resid   11 and  name HD#  )(resid   11 and  name HA   ) 3.0 3.2 2.5
assign (resid   11 and  name HD#  )(resid   11 and  name HE#  ) 3.0 5.2 4.5
assign (resid   11 and  name HD#  )(resid   11 and  name HB2  ) 3.0 3.2 2.5
assign (resid   11 and  name HD#  )(resid   11 and  name HB1  ) 4.0 4.2 3.0
assign (resid   45 and  name HE#  )(resid   45 and  name HA   ) 4.0 4.2 3.0
assign (resid   45 and  name HE#  )(resid   45 and  name HB2  ) 4.0 4.2 3.0
assign (resid   24 and  name HD#  )(resid   24 and  name HA   ) 2.5 2.7 2.2
assign (resid   24 and  name HD#  )(resid   24 and  name HB#  ) 2.5 3.7 3.4
assign (resid    4 and  name HD#  )(resid    4 and  name HB1  ) 2.5 2.7 2.4
assign (resid    4 and  name HD#  )(resid    4 and  name HE#  ) 2.5 4.7 4.2
assign (resid   80 and  name HE#  )(resid   80 and  name HB1  ) 3.0 3.2 2.5
assign (resid   80 and  name HE#  )(resid   80 and  name HZ   ) 2.5 2.7 2.2
assign (resid   56 and  name HE#  )(resid   56 and  name HB2  ) 2.5 2.7 2.2
assign (resid   56 and  name HE#  )(resid   56 and  name HB1  ) 2.5 2.7 2.2
!assign (resid   56 and  name HE#  )(resid   56 and  name HA   ) 3.0 3.2 2.5
assign (resid   50 and  name HD#  )(resid   50 and  name HB#  ) 2.5 3.7 3.2
assign (resid   24 and  name HD#  )(resid   24 and  name HE#  ) 2.5 4.7 4.2
assign (resid    4 and  name HE#  )(resid    4 and  name HB#  ) 4.0 5.2 4.0
assign (resid   27 and  name HD2  )(resid   27 and  name HB1  ) 3.0 1.2 0.5
assign (resid   59 and  name HD1  )(resid   59 and  name HB#  ) 3.0 2.2 1.5
assign (resid   11 and  name HE#  )(resid   11 and  name HA   ) 4.0 4.2 3.0
assign (resid   11 and  name HE#  )(resid   11 and  name HB2  ) 4.0 4.2 3.0
assign (resid   81 and  name HA   )(resid   81 and  name HB2  ) 3.0 1.2 0.5
assign (resid   44 and  name HN   )(resid   44 and  name HB1  ) 4.0 2.2 1.0
assign (resid   44 and  name HN   )(resid   44 and  name HA   ) 3.0 1.2 0.5
assign (resid   44 and  name HN   )(resid   44 and  name HB2  ) 4.0 2.2 1.0
assign (resid   91 and  name HA   )(resid   91 and  name HG2# ) 3.0 2.7 2.0
assign (resid   91 and  name HA   )(resid   91 and  name HB   ) 3.0 1.2 0.5
assign (resid   80 and  name HA   )(resid   80 and  name HB2  ) 3.0 1.2 0.5
assign (resid   80 and  name HA   )(resid   80 and  name HB1  ) 3.0 1.2 0.5
assign (resid   39 and  name HA   )(resid   39 and  name HG#  ) 4.0 3.2 2.0
assign (resid   39 and  name HA   )(resid   39 and  name HB#  ) 3.0 2.2 1.5
assign (resid   40 and  name HA   )(resid   40 and  name HB1  ) 2.5 0.7 0.4
assign (resid   40 and  name HA   )(resid   40 and  name HB2  ) 2.5 0.7 0.4
assign (resid   32 and  name HA   )(resid   32 and  name HB   ) 2.5 0.7 0.4
assign (resid   32 and  name HA   )(resid   32 and  name HG2# ) 2.5 2.2 1.7
assign (resid   12 and  name HA   )(resid   12 and  name HB#  ) 3.0 2.2 1.5
assign (resid   11 and  name HA   )(resid   11 and  name HB2  ) 4.0 2.2 1.0
assign (resid   59 and  name HA   )(resid   59 and  name HB2  ) 3.0 1.2 0.5
assign (resid   59 and  name HA   )(resid   59 and  name HB1  ) 4.0 2.2 1.0
assign (resid  100 and  name HA   )(resid  100 and  name HB1  ) 3.0 1.2 0.5
assign (resid  100 and  name HA   )(resid  100 and  name HB2  ) 4.0 2.2 1.0
assign (resid    6 and  name HA   )(resid    6 and  name HB1  ) 3.0 1.2 0.5
assign (resid   79 and  name HA   )(resid   79 and  name HG2# ) 2.5 2.2 1.7
assign (resid   79 and  name HA   )(resid   79 and  name HG1# ) 3.0 2.7 2.0
assign (resid   58 and  name HA   )(resid   58 and  name HB2  ) 4.0 2.2 1.0
assign (resid   58 and  name HA   )(resid   58 and  name HB#  ) 3.0 2.2 1.5
assign (resid   56 and  name HA   )(resid   56 and  name HB1  ) 4.0 2.2 1.0
assign (resid    5 and  name HA   )(resid    5 and  name HB   ) 4.0 2.2 1.0
assign (resid    5 and  name HA   )(resid    5 and  name HG2# ) 2.5 2.2 1.7
assign (resid   90 and  name HA   )(resid   90 and  name HB   ) 3.0 1.2 0.5
!assign (resid   90 and  name HA   )(resid   90 and  name HD1# ) 2.5 2.2 1.7
assign (resid   42 and  name HA   )(resid   42 and  name HB2  ) 4.0 2.2 1.0
assign (resid   83 and  name HA   )(resid   83 and  name HB2  ) 3.0 1.2 0.5
assign (resid   10 and  name HA   )(resid   10 and  name HB2  ) 3.0 1.2 0.5
assign (resid  101 and  name HA   )(resid  101 and  name HG1# ) 2.5 2.2 1.7
assign (resid   62 and  name HA   )(resid   62 and  name HD2# ) 3.0 2.7 2.0
assign (resid   89 and  name HA   )(resid   89 and  name HG1# ) 3.0 2.7 2.0
assign (resid   75 and  name HA   )(resid   75 and  name HB#  ) 2.5 1.8 1.7
assign (resid   95 and  name HA   )(resid   95 and  name HB#  ) 2.5 1.8 1.7
assign (resid    2 and  name HA   )(resid    2 and  name HB1  ) 3.0 1.2 0.5
assign (resid  104 and  name HB   )(resid  104 and  name HG2# ) 2.5 2.2 1.7
assign (resid   78 and  name HA   )(resid   78 and  name HG1# ) 3.0 2.7 2.0
assign (resid   78 and  name HA   )(resid   78 and  name HB   ) 2.5 0.7 0.4
assign (resid   69 and  name HA   )(resid   69 and  name HB#  ) 2.5 1.7 1.4
assign (resid  104 and  name HA   )(resid  104 and  name HG2# ) 2.5 1.8 1.7
assign (resid   85 and  name HA   )(resid   85 and  name HB1  ) 3.0 1.2 0.5
assign (resid   85 and  name HA   )(resid   85 and  name HG#  ) 3.0 1.8 1.3
assign (resid   85 and  name HA   )(resid   85 and  name HB2  ) 3.0 1.2 0.5
assign (resid   39 and  name HD#  )(resid   39 and  name HB#  ) 3.0 3.2 2.5
assign (resid   19 and  name HA   )(resid   19 and  name HB#  ) 2.5 1.8 1.7
assign (resid   44 and  name HA   )(resid   44 and  name HB2  ) 3.0 1.2 0.5
assign (resid    3 and  name HA   )(resid    3 and  name HB2  ) 2.5 0.7 0.4
assign (resid    3 and  name HA   )(resid    3 and  name HB1  ) 3.0 1.2 0.5
assign (resid   48 and  name HA   )(resid   48 and  name HB#  ) 3.0 2.2 1.5
assign (resid   18 and  name HB   )(resid   18 and  name HG2# ) 2.5 2.2 1.9
assign (resid   61 and  name HA   )(resid   61 and  name HG2# ) 4.0 2.3 2.5
assign (resid   61 and  name HA   )(resid   61 and  name HG1# ) 4.0 3.2 2.0
assign (resid   61 and  name HA   )(resid   61 and  name HB   ) 3.0 1.2 0.5
assign (resid   45 and  name HA   )(resid   45 and  name HB#  ) 3.0 2.2 1.5
assign (resid   43 and  name HA   )(resid   43 and  name HB#  ) 3.0 2.2 1.5
!assign (resid   81 and  name HB1  )(resid   81 and  name HB2  ) 3.0 1.2 0.5
assign (resid   87 and  name HA   )(resid   87 and  name HB#  ) 2.5 1.8 1.7
assign (resid   60 and  name HA   )(resid   60 and  name HB2  ) 4.0 2.2 1.0
assign (resid   82 and  name HA   )(resid   82 and  name HG2  ) 4.0 2.2 1.0
assign (resid   82 and  name HA   )(resid   82 and  name HB2  ) 3.0 1.2 0.5
assign (resid   55 and  name HA   )(resid   55 and  name HB#  ) 2.5 1.7 1.4
assign (resid  102 and  name HA   )(resid  102 and  name HB1  ) 3.0 1.2 0.5
assign (resid  102 and  name HA   )(resid  102 and  name HG1  ) 4.0 2.2 1.0
assign (resid   55 and  name HA   )(resid   55 and  name HG#  ) 4.0 3.2 2.0
assign (resid  102 and  name HA   )(resid  102 and  name HB#  ) 3.0 2.2 1.5
assign (resid   17 and  name HA   )(resid   17 and  name HB#  ) 2.5 1.7 1.4
assign (resid    1 and  name HA   )(resid    1 and  name HB#  ) 2.5 1.8 1.7
assign (resid    5 and  name HB   )(resid    5 and  name HG2# ) 2.5 0.7 1.4 !
assign (resid   22 and  name HA   )(resid   22 and  name HB#  ) 2.5 1.8 1.7
assign (resid   86 and  name HA   )(resid   86 and  name HB#  ) 2.5 1.7 1.4
!assign (resid   69 and  name HB1  )(resid   69 and  name HB2  ) 2.5 0.7 0.2
assign (resid   32 and  name HB   )(resid   32 and  name HG2# ) 2.5 2.2 1.9
assign (resid   18 and  name HA   )(resid   18 and  name HG2# ) 2.5 1.8 1.7
assign (resid   67 and  name HA   )(resid   67 and  name HB   ) 3.0 1.2 0.5
!assign (resid   26 and  name HA   )(resid   26 and  name HG   ) 2.5 0.7 0.2
assign (resid   26 and  name HA   )(resid   26 and  name HD1# ) 2.5 1.8 1.7
assign (resid   37 and  name HB2  )(resid   37 and  name HA   ) 4.0 2.2 1.0
assign (resid   21 and  name HA   )(resid   21 and  name HB#  ) 2.5 1.8 1.7
!assign (resid   40 and  name HB1  )(resid   40 and  name HB2  ) 2.5 0.7 0.4
assign (resid   84 and  name HA   )(resid   84 and  name HB#  ) 3.0 2.2 1.5
assign (resid   25 and  name HA   )(resid   25 and  name HB#  ) 3.0 2.2 1.5
assign (resid   46 and  name HA   )(resid   46 and  name HB#  ) 3.0 2.2 1.5
assign (resid   46 and  name HA   )(resid   46 and  name HG#  ) 3.0 2.2 1.5
assign (resid   54 and  name HB1  )(resid   54 and  name HA   ) 3.0 1.2 0.5
!assign (resid   54 and  name HB1  )(resid   54 and  name HB2  ) 2.5 0.7 0.4
!assign (resid   47 and  name HA1  )(resid   47 and  name HA2  ) 2.5 0.7 0.4
assign (resid   55 and  name HD#  )(resid   55 and  name HG2  ) 3.0 2.2 1.5
assign (resid   55 and  name HD#  )(resid   55 and  name HB1  ) 4.0 3.2 2.0
assign (resid   55 and  name HD#  )(resid   55 and  name HG1  ) 3.0 2.2 1.5
assign (resid   28 and  name HA   )(resid   28 and  name HG1  ) 4.0 2.2 1.0
!assign (resid   28 and  name HA   )(resid   28 and  name HB1  ) 2.5 0.7 0.4
assign (resid   16 and  name HA   )(resid   16 and  name HB   ) 3.0 1.2 0.5
assign (resid   16 and  name HA   )(resid   16 and  name HG2# ) 2.5 1.8 1.7
!assign (resid   15 and  name HB2  )(resid   15 and  name HB1  ) 2.5 0.7 0.2
!assign (resid   38 and  name HB1  )(resid   38 and  name HB2  ) 3.0 1.2 0.5
assign (resid   20 and  name HA   )(resid   20 and  name HB#  ) 2.5 1.7 1.2
assign (resid   20 and  name HA   )(resid   20 and  name HG#  ) 3.0 2.2 1.5
!assign (resid   59 and  name HB1  )(resid   59 and  name HB2  ) 2.5 0.7 0.2
assign (resid   24 and  name HA   )(resid   24 and  name HB#  ) 2.5 1.7 1.2
!assign (resid  103 and  name HB1  )(resid  103 and  name HB2  ) 2.5 0.7 0.2
assign (resid   54 and  name HB2  )(resid   54 and  name HA   ) 3.0 1.2 0.5
!assign (resid   80 and  name HB1  )(resid   80 and  name HB2  ) 2.5 0.7 0.2
!assign (resid   83 and  name HB1  )(resid   83 and  name HB2  ) 2.5 0.7 0.2
!assign (resid   76 and  name HB1  )(resid   76 and  name HB2  ) 3.0 1.2 0.5
!assign (resid    2 and  name HB1  )(resid    2 and  name HB2  ) 2.5 0.7 0.4
assign (resid   41 and  name HE1  )(resid   41 and  name HG1  ) 4.0 2.2 1.0
!assign (resid   49 and  name HB1  )(resid   49 and  name HB2  ) 2.5 0.7 0.4
!assign (resid   29 and  name HB1  )(resid   29 and  name HB2  ) 2.5 0.7 0.4
!assign (resid   98 and  name HB1  )(resid   98 and  name HB2  ) 2.5 0.7 0.4
!assign (resid    9 and  name HB1  )(resid    9 and  name HB2  ) 3.0 1.2 0.5
!assign (resid    3 and  name HB1  )(resid    3 and  name HB2  ) 2.5 0.7 0.4
!assign (resid   36 and  name HB1  )(resid   36 and  name HB2  ) 2.5 0.7 0.4
assign (resid   39 and  name HB1  )(resid   39 and  name HG#  ) 3.0 2.2 1.5
!assign (resid   84 and  name HB1  )(resid   84 and  name HB2  ) 2.5 0.7 0.4
assign (resid   82 and  name HG1  )(resid   82 and  name HB#  ) 4.0 3.2 2.0
assign (resid   82 and  name HG2  )(resid   82 and  name HB2  ) 3.0 1.2 0.5
assign (resid   60 and  name HD1  )(resid   60 and  name HG1  ) 4.0 2.2 1.0
assign (resid   60 and  name HD1  )(resid   60 and  name HD2  ) 3.0 1.2 0.5
assign (resid   60 and  name HD1  )(resid   60 and  name HB2  ) 4.0 2.2 1.0
assign (resid  101 and  name HB   )(resid  101 and  name HG1# ) 2.5 2.2 1.9
assign (resid  101 and  name HB   )(resid  101 and  name HG2# ) 2.5 2.2 1.9
assign (resid   31 and  name HB1  )(resid   31 and  name HG#  ) 3.0 2.2 1.5
!assign (resid   24 and  name HB1  )(resid   24 and  name HB2  ) 2.5 0.7 0.4
assign (resid   85 and  name HB1  )(resid   85 and  name HG#  ) 2.5 1.7 1.4
assign (resid   62 and  name HB1  )(resid   62 and  name HG   ) 3.0 1.2 0.5
!assign (resid   62 and  name HB1  )(resid   62 and  name HB2  ) 2.5 0.7 0.4
assign (resid   16 and  name HB   )(resid   16 and  name HG1# ) 2.5 2.2 1.9
assign (resid   52 and  name HB   )(resid   52 and  name HG2# ) 2.5 2.2 1.9
assign (resid   52 and  name HB   )(resid   52 and  name HG1# ) 2.5 2.2 1.9
!assign (resid   48 and  name HB1  )(resid   48 and  name HB2  ) 2.5 0.7 0.4
assign (resid   85 and  name HG#  )(resid   85 and  name HB2  ) 2.5 1.7 1.4
assign (resid   20 and  name HG1  )(resid   20 and  name HB1  ) 2.5 0.7 0.4
!assign (resid   20 and  name HG1  )(resid   20 and  name HG2  ) 2.5 0.7 0.4
assign (resid   33 and  name HB   )(resid   33 and  name HG2# ) 2.5 2.2 1.9
assign (resid   33 and  name HB   )(resid   33 and  name HG1# ) 3.0 2.7 2.0
assign (resid  102 and  name HG#  )(resid  102 and  name HB1  ) 2.5 1.7 1.4
assign (resid   67 and  name HB   )(resid   67 and  name HG1# ) 2.5 2.2 1.9
assign (resid   67 and  name HB   )(resid   67 and  name HG2# ) 2.5 2.2 1.9
assign (resid   60 and  name HB1  )(resid   60 and  name HG1  ) 4.0 2.2 1.0
assign (resid   60 and  name HB1  )(resid   60 and  name HB2  ) 3.0 1.2 0.5
assign (resid   55 and  name HG2  )(resid   55 and  name HB2  ) 3.0 1.2 0.5
assign (resid   78 and  name HB   )(resid   78 and  name HG1# ) 2.5 2.2 1.9
!assign (resid   58 and  name HB1  )(resid   58 and  name HB2  ) 2.5 0.7 0.4
assign (resid   41 and  name HB1  )(resid   41 and  name HG1  ) 4.0 2.2 1.0
assign (resid   41 and  name HD1  )(resid   41 and  name HG1  ) 4.0 2.2 1.0
assign (resid   86 and  name HB#  )(resid   86 and  name HD1# ) 2.5 3.2 2.9
assign (resid   86 and  name HB#  )(resid   86 and  name HD2# ) 2.5 3.2 2.9
assign (resid   86 and  name HB#  )(resid   86 and  name HG   ) 2.5 1.7 1.4
assign (resid   90 and  name HB   )(resid   90 and  name HG2# ) 3.0 2.7 2.0
assign (resid   90 and  name HB   )(resid   90 and  name HD1# ) 3.0 2.7 2.0
assign (resid   90 and  name HB   )(resid   90 and  name HG1# ) 4.0 3.2 2.0
assign (resid   26 and  name HG   )(resid   26 and  name HB#  ) 2.5 1.7 1.4
assign (resid   26 and  name HG   )(resid   26 and  name HD1# ) 2.5 2.2 1.9
assign (resid   62 and  name HG   )(resid   62 and  name HD2# ) 3.0 2.7 2.0
assign (resid   62 and  name HG   )(resid   62 and  name HD1# ) 2.5 2.2 1.9
assign (resid   89 and  name HB   )(resid   89 and  name HG2# ) 2.5 2.2 1.9
assign (resid   89 and  name HB   )(resid   89 and  name HG1# ) 2.5 2.2 1.9
assign (resid   61 and  name HG1# )(resid   61 and  name HG2# ) 4.0 4.7 3.5
assign (resid   61 and  name HG1# )(resid   61 and  name HD1# ) 3.0 3.7 3.0
assign (resid   61 and  name HG11 )(resid   61 and  name HG12 ) 3.0 1.2 0.5
assign (resid   60 and  name HD2  )(resid   60 and  name HG2  ) 4.0 2.2 1.0
assign (resid   67 and  name HG1# )(resid   67 and  name HG2# ) 2.5 3.7 3.4
assign (resid   79 and  name HB   )(resid   79 and  name HG2# ) 2.5 2.2 1.9
assign (resid   79 and  name HB   )(resid   79 and  name HG1# ) 3.0 2.7 2.0
assign (resid   61 and  name HB   )(resid   61 and  name HG2# ) 4.0 3.7 2.5
assign (resid   61 and  name HB   )(resid   61 and  name HD1# ) 3.0 2.7 2.0
assign (resid   86 and  name HG   )(resid   86 and  name HD1# ) 2.5 2.2 1.9
assign (resid   86 and  name HG   )(resid   86 and  name HD2# ) 2.5 2.2 1.9
!assign (resid   62 and  name HD1# )(resid   62 and  name HD2# ) 2.5 3.7 3.4
!assign (resid   52 and  name HG1# )(resid   52 and  name HG2# ) 2.5 3.7 3.4
!assign (resid   86 and  name HD1# )(resid   86 and  name HD2# ) 2.5 3.7 3.4
!assign (resid   89 and  name HG1# )(resid   89 and  name HG2# ) 2.5 3.7 3.4
assign (resid   61 and  name HG12 )(resid   61 and  name HD1# ) 3.0 2.7 2.0
assign (resid   61 and  name HG12 )(resid   61 and  name HG2# ) 3.0 2.7 2.0
!assign (resid   90 and  name HG11 )(resid   90 and  name HG12 ) 2.5 0.7 0.4
assign (resid   90 and  name HG11 )(resid   90 and  name HD1# ) 3.0 2.7 2.0
assign (resid   60 and  name HB2  )(resid   60 and  name HG2  ) 4.0 2.2 1.0
!assign (resid   79 and  name HG1# )(resid   79 and  name HG2# ) 2.5 3.7 3.4
assign (resid   90 and  name HG2# )(resid   90 and  name HD1# ) 2.5 3.7 3.4
!assign (resid   60 and  name HG2  )(resid   60 and  name HG1  ) 3.0 1.2 0.5

! ***************************** HYDROGEN BONDS ****************************

assign (resid    4 and  name N    )(resid   11 and  name O    ) 3.3 0.8 0.2
assign (resid   11 and  name N    )(resid    4 and  name O    ) 3.3 0.8 0.2
assign (resid   40 and  name N    )(resid   58 and  name O    ) 3.3 0.8 0.2
assign (resid   58 and  name N    )(resid   40 and  name O    ) 3.3 0.8 0.2
assign (resid   42 and  name N    )(resid   56 and  name O    ) 3.3 0.8 0.2
assign (resid   56 and  name N    )(resid   42 and  name O    ) 3.3 0.8 1.2 !
assign (resid   57 and  name N    )(resid   80 and  name O    ) 3.3 0.8 0.2
assign (resid   80 and  name N    )(resid   57 and  name O    ) 3.3 0.8 0.2
assign (resid   75 and  name N    )(resid   92 and  name O    ) 3.3 0.8 0.2
assign (resid   92 and  name N    )(resid   75 and  name O    ) 3.3 0.8 0.2
assign (resid   77 and  name N    )(resid   90 and  name O    ) 3.3 0.8 0.2 !
assign (resid   90 and  name N    )(resid   77 and  name O    ) 3.3 0.8 0.2 !
!assign (resid  89 and  name N    )(resid  103 and  name O    ) 3.3 0.8 0.2
assign (resid  103 and  name N    )(resid   89 and  name O    ) 3.3 0.8 0.2 !
assign (resid   91 and  name N    )(resid  101 and  name O    ) 3.3 0.8 0.2 ! 
assign (resid  101 and  name N    )(resid   91 and  name O    ) 3.3 0.8 1.2 !

assign (resid    4 and  name HN   )(resid   11 and  name O    ) 2.3 0.8 0.2
assign (resid   11 and  name HN   )(resid    4 and  name O    ) 2.3 0.8 0.2
assign (resid   40 and  name HN   )(resid   58 and  name O    ) 2.3 0.8 0.2
assign (resid   58 and  name HN   )(resid   40 and  name O    ) 2.3 0.8 0.2
assign (resid   42 and  name HN   )(resid   56 and  name O    ) 2.3 0.8 0.2
assign (resid   56 and  name HN   )(resid   42 and  name O    ) 2.3 0.8 1.2 !
assign (resid   57 and  name HN   )(resid   80 and  name O    ) 2.3 0.8 0.2 !
assign (resid   80 and  name HN   )(resid   57 and  name O    ) 2.3 0.8 0.2
assign (resid   75 and  name HN   )(resid   92 and  name O    ) 2.3 0.8 0.2
assign (resid   92 and  name HN   )(resid   75 and  name O    ) 2.3 0.8 0.2
assign (resid   77 and  name HN   )(resid   90 and  name O    ) 2.3 0.8 0.2
assign (resid   90 and  name HN   )(resid   77 and  name O    ) 2.3 0.8 0.2
!assign (resid   89 and  name HN   )(resid  103 and  name O    ) 2.3 0.8 0.2
assign (resid   103 and  name HN   )(resid   89 and  name O    ) 2.3 0.8 0.2
assign (resid   91 and  name HN   )(resid  101 and  name O    ) 2.3 0.8 0.2 !
assign (resid  101 and  name HN   )(resid   91 and  name O    ) 2.3 0.8 1.2 !

! ******************************* S-S BONDS *****************************

assign (resid    2 and name SG )(resid   10 and name SG ) 2.02 0.02 0.02
assign (resid    6 and name SG )(resid  103 and name SG ) 2.02 0.02 0.02

assign (resid    2 and name CB#)(resid   10 and name SG ) 2.99 0.50 0.50
assign (resid   10 and name SG )(resid    2 and name CB#) 2.99 0.50 0.50
assign (resid    6 and name CB#)(resid  103 and name SG ) 2.99 0.50 0.50
assign (resid  103 and name SG )(resid    6 and name CB#) 2.99 0.50 0.50

! ******************************* HELIX 13-29 ***************************

assign (resid   18 and  name HN   )(resid   15 and  name HA   ) 4.0 2.2 1.0
assign (resid   19 and  name HN   )(resid   16 and  name HA   ) 4.0 2.2 1.0
assign (resid   23 and  name HN   )(resid   20 and  name HA   ) 4.0 2.2 1.0
assign (resid   26 and  name HN   )(resid   23 and  name HA   ) 4.0 2.2 1.0
assign (resid   27 and  name HN   )(resid   24 and  name HA   ) 4.0 2.2 1.0
assign (resid   28 and  name HN   )(resid   25 and  name HA   ) 4.0 2.2 1.0
assign (resid   29 and  name HN   )(resid   26 and  name HA   ) 4.0 2.2 1.0

assign (resid   14 and  name HN   )(resid   17 and  name HB#  ) 4.0 3.2 2.0
assign (resid   16 and  name HN   )(resid   19 and  name HB#  ) 4.0 3.7 2.5

assign (resid   21 and  name HN   )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   23 and  name HN   )(resid   25 and  name HN   ) 4.0 2.2 1.0

assign (resid   25 and  name HN   )(resid   23 and  name HA   ) 4.0 2.2 1.0

assign (resid   16 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 1.0

set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1HT       ALA   1   2.523  10.821  17.430
    2   2H    ALA   1          2HT       ALA   1   3.898   9.789  17.423
    3   3H    ALA   1          3HT       ALA   1   2.697   9.606  18.630
    4    HA   ALA   1           HA       ALA   1   2.512   7.887  16.984
    5   1HB   ALA   1          1HB       ALA   1   0.223   9.831  16.597
    6   2HB   ALA   1          2HB       ALA   1   0.502   9.005  18.128
    7   3HB   ALA   1          3HB       ALA   1   0.172   8.067  16.678
    8    H    CYS   2           H        CYS   2   0.836   8.135  14.725
    9    HA   CYS   2           HA       CYS   2   1.236   8.184  12.467
   10   1HB   CYS   2          2HB       CYS   2   1.119  10.434  11.557
   11   2HB   CYS   2          1HB       CYS   2   0.050  10.327  12.946
   12    H    ASP   3           H        ASP   3   3.113   7.043  12.075
   13    HA   ASP   3           HA       ASP   3   5.661   8.590  12.149
   14   1HB   ASP   3          2HB       ASP   3   5.320   6.229  13.256
   15   2HB   ASP   3          1HB       ASP   3   5.473   5.612  11.607
   16    H    TYR   4           H        TYR   4   3.228   7.876   9.993
   17    HA   TYR   4           HA       TYR   4   5.140   7.796   7.693
   18   1HB   TYR   4          2HB       TYR   4   2.324   6.698   8.043
   19   2HB   TYR   4          1HB       TYR   4   3.050   6.916   6.442
   20    HD1  TYR   4           1HD      TYR   4   2.401   4.456   8.679
   21    HD2  TYR   4           2HD      TYR   4   5.747   6.144   6.580
   22    HE1  TYR   4           1HE      TYR   4   3.619   2.308   8.893
   23    HE2  TYR   4           2HE      TYR   4   6.968   4.000   6.795
   24    HH   TYR   4           HH       TYR   4   5.760   1.211   7.291
   25    H    THR   5           H        THR   5   5.116  10.214   8.375
   26    HA   THR   5           HA       THR   5   2.736  11.645   7.431
   27    HB   THR   5           HB       THR   5   4.049  12.474   9.390
   28    HG1  THR   5           1HG      THR   5   3.766  14.561   8.787
   29   1HG2  THR   5          1HG2      THR   5   6.229  12.969   9.299
   30   2HG2  THR   5          2HG2      THR   5   6.137  13.618   7.673
   31   3HG2  THR   5          3HG2      THR   5   6.273  11.877   7.924
   32    H    CYS   6           H        CYS   6   2.638  11.194   5.189
   33    HA   CYS   6           HA       CYS   6   5.013  12.070   3.580
   34   1HB   CYS   6          2HB       CYS   6   2.593  10.635   2.484
   35   2HB   CYS   6          1HB       CYS   6   4.247  10.676   1.851
   36    H    GLY   7           H        GLY   7   4.611  13.476   1.738
   37   1HA   GLY   7          2HA       GLY   7   3.734  15.492   0.906
   38   2HA   GLY   7          1HA       GLY   7   2.198  14.626   0.952
   39    H    SER   8           H        SER   8   4.062  15.286   3.884
   40    HA   SER   8           HA       SER   8   3.621  16.674   5.679
   41   1HB   SER   8          2HB       SER   8   1.656  18.202   3.927
   42   2HB   SER   8          1HB       SER   8   2.582  18.776   5.308
   43    HG   SER   8           HG       SER   8   3.369  18.498   2.686
   44    H    ASN   9           H        ASN   9   2.217  14.248   5.450
   45    HA   ASN   9           HA       ASN   9  -0.352  14.998   6.795
   46   1HB   ASN   9          2HB       ASN   9  -0.013  12.873   4.641
   47   2HB   ASN   9          1HB       ASN   9  -1.479  13.133   5.597
   48   1HD2  ASN   9          1HD2      ASN   9  -1.472  13.403   2.760
   49   2HD2  ASN   9          2HD2      ASN   9  -1.753  15.071   2.405
   50    H    CYS  10           H        CYS  10   0.766  14.517   8.759
   51    HA   CYS  10           HA       CYS  10   2.145  12.133   9.340
   52   1HB   CYS  10          2HB       CYS  10   1.435  14.357  10.775
   53   2HB   CYS  10          1HB       CYS  10   0.418  13.134  11.530
   54    H    TYR  11           H        TYR  11   1.103  10.392   8.262
   55    HA   TYR  11           HA       TYR  11  -1.670   9.739   8.977
   56   1HB   TYR  11          2HB       TYR  11   0.392   8.696   7.116
   57   2HB   TYR  11          1HB       TYR  11  -0.633   7.445   7.808
   58    HD1  TYR  11           1HD      TYR  11  -2.504   6.912   6.590
   59    HD2  TYR  11           2HD      TYR  11  -1.040  10.937   6.480
   60    HE1  TYR  11           1HE      TYR  11  -4.284   7.528   5.006
   61    HE2  TYR  11           2HE      TYR  11  -2.834  11.564   4.899
   62    HH   TYR  11           HH       TYR  11  -4.352   9.918   3.071
   63    H    SER  12           H        SER  12  -2.314   8.064  10.376
   64    HA   SER  12           HA       SER  12  -0.407   7.434  12.492
   65   1HB   SER  12          2HB       SER  12  -3.250   7.480  12.232
   66   2HB   SER  12          1HB       SER  12  -2.779   5.870  12.757
   67    HG   SER  12           HG       SER  12  -2.312   8.325  14.020
   68    H    SER  13           H        SER  13   0.959   5.723  12.448
   69    HA   SER  13           HA       SER  13   1.012   3.814  10.342
   70   1HB   SER  13          2HB       SER  13   2.592   2.561  11.767
   71   2HB   SER  13          1HB       SER  13   2.949   4.292  11.818
   72    HG   SER  13           HG       SER  13   2.919   3.514  13.922
   73    H    SER  14           H        SER  14  -0.765   3.941  13.351
   74    HA   SER  14           HA       SER  14  -1.531   1.131  13.312
   75   1HB   SER  14          2HB       SER  14  -3.046   1.798  15.153
   76   2HB   SER  14          1HB       SER  14  -1.424   2.449  15.417
   77    HG   SER  14           HG       SER  14  -3.157   4.001  15.708
   78    H    ASP  15           H        ASP  15  -2.767   4.146  12.022
   79    HA   ASP  15           HA       ASP  15  -5.379   3.038  11.377
   80   1HB   ASP  15          2HB       ASP  15  -4.250   5.643  11.469
   81   2HB   ASP  15          1HB       ASP  15  -4.687   5.397   9.793
   82    H    VAL  16           H        VAL  16  -2.239   3.327   9.903
   83    HA   VAL  16           HA       VAL  16  -3.040   2.872   7.183
   84    HB   VAL  16           HB       VAL  16  -0.417   2.017   8.453
   85   1HG1  VAL  16          1HG1      VAL  16   0.438   2.522   6.172
   86   2HG1  VAL  16          2HG1      VAL  16  -1.201   2.879   5.646
   87   3HG1  VAL  16          3HG1      VAL  16  -0.776   1.249   6.149
   88   1HG2  VAL  16          1HG2      VAL  16  -1.511   4.739   7.828
   89   2HG2  VAL  16          2HG2      VAL  16   0.185   4.422   7.458
   90   3HG2  VAL  16          3HG2      VAL  16  -0.408   4.209   9.074
   91    H    SER  17           H        SER  17  -2.487   0.801   9.967
   92    HA   SER  17           HA       SER  17  -2.297  -1.691   8.594
   93   1HB   SER  17          2HB       SER  17  -1.915  -1.069  11.116
   94   2HB   SER  17          1HB       SER  17  -3.626  -1.476  11.287
   95    HG   SER  17           HG       SER  17  -3.201  -3.535  10.662
   96    H    THR  18           H        THR  18  -5.090   0.062   9.985
   97    HA   THR  18           HA       THR  18  -7.068  -1.865   9.324
   98    HB   THR  18           HB       THR  18  -8.376   0.582   8.978
   99    HG1  THR  18           1HG      THR  18  -7.324   2.070  10.191
  100   1HG2  THR  18          1HG2      THR  18  -8.970   0.354  11.336
  101   2HG2  THR  18          2HG2      THR  18  -7.641  -0.778  11.583
  102   3HG2  THR  18          3HG2      THR  18  -8.995  -1.218  10.538
  103    H    ALA  19           H        ALA  19  -5.956   0.970   7.454
  104    HA   ALA  19           HA       ALA  19  -7.500   0.315   5.108
  105   1HB   ALA  19          1HB       ALA  19  -6.155   1.970   3.983
  106   2HB   ALA  19          2HB       ALA  19  -4.886   1.842   5.202
  107   3HB   ALA  19          3HB       ALA  19  -6.442   2.557   5.623
  108    H    GLN  20           H        GLN  20  -4.596  -0.935   6.491
  109    HA   GLN  20           HA       GLN  20  -3.433  -1.971   4.106
  110   1HB   GLN  20          2HB       GLN  20  -2.615  -1.761   6.728
  111   2HB   GLN  20          1HB       GLN  20  -2.913  -3.480   6.639
  112   1HG   GLN  20          2HG       GLN  20  -0.919  -1.796   5.161
  113   2HG   GLN  20          1HG       GLN  20  -0.730  -3.362   5.965
  114   1HE2  GLN  20          1HE2      GLN  20  -2.331  -5.091   4.890
  115   2HE2  GLN  20          2HE2      GLN  20  -2.332  -5.093   3.183
  116    H    ALA  21           H        ALA  21  -5.756  -3.168   6.491
  117    HA   ALA  21           HA       ALA  21  -5.923  -5.821   5.254
  118   1HB   ALA  21          1HB       ALA  21  -6.325  -5.555   7.656
  119   2HB   ALA  21          2HB       ALA  21  -7.767  -6.175   6.854
  120   3HB   ALA  21          3HB       ALA  21  -7.680  -4.475   7.324
  121    H    ALA  22           H        ALA  22  -6.960  -2.782   4.350
  122    HA   ALA  22           HA       ALA  22  -9.625  -3.460   3.416
  123   1HB   ALA  22          1HB       ALA  22  -8.811  -1.137   4.089
  124   2HB   ALA  22          2HB       ALA  22  -9.685  -1.246   2.571
  125   3HB   ALA  22          3HB       ALA  22  -7.932  -1.094   2.562
  126    H    GLY  23           H        GLY  23  -6.501  -2.666   1.809
  127   1HA   GLY  23          2HA       GLY  23  -7.432  -3.590  -0.794
  128   2HA   GLY  23          1HA       GLY  23  -5.774  -3.238  -0.351
  129    H    TYR  24           H        TYR  24  -6.160  -5.101   2.046
  130    HA   TYR  24           HA       TYR  24  -5.121  -7.456   0.677
  131   1HB   TYR  24          2HB       TYR  24  -4.118  -6.875   2.794
  132   2HB   TYR  24          1HB       TYR  24  -5.700  -6.817   3.578
  133    HD1  TYR  24           1HD      TYR  24  -4.149  -9.306   1.246
  134    HD2  TYR  24           2HD      TYR  24  -5.819  -8.551   5.132
  135    HE1  TYR  24           1HE      TYR  24  -3.959 -11.713   1.792
  136    HE2  TYR  24           2HE      TYR  24  -5.627 -10.961   5.683
  137    HH   TYR  24           HH       TYR  24  -3.916 -12.978   4.653
  138    H    GLN  25           H        GLN  25  -7.842  -6.974   2.979
  139    HA   GLN  25           HA       GLN  25  -9.090  -9.413   2.769
  140   1HB   GLN  25          2HB       GLN  25  -9.854  -6.941   3.746
  141   2HB   GLN  25          1HB       GLN  25 -11.014  -7.162   2.453
  142   1HG   GLN  25          2HG       GLN  25 -12.146  -8.266   4.073
  143   2HG   GLN  25          1HG       GLN  25 -11.149  -9.628   3.542
  144   1HE2  GLN  25          1HE2      GLN  25 -10.179 -10.662   5.263
  145   2HE2  GLN  25          2HE2      GLN  25  -9.697  -9.887   6.729
  146    H    LEU  26           H        LEU  26  -9.104  -6.849   0.325
  147    HA   LEU  26           HA       LEU  26 -10.991  -8.229  -1.397
  148   1HB   LEU  26          2HB       LEU  26  -9.673  -5.672  -1.319
  149   2HB   LEU  26          1HB       LEU  26  -9.254  -6.409  -2.862
  150    HG   LEU  26           HG       LEU  26 -11.371  -5.044  -2.877
  151   1HD1  LEU  26          1HD1      LEU  26 -12.588  -6.602  -4.222
  152   2HD1  LEU  26          2HD1      LEU  26 -11.759  -7.980  -3.488
  153   3HD1  LEU  26          3HD1      LEU  26 -10.874  -6.864  -4.520
  154   1HD2  LEU  26          1HD2      LEU  26 -13.249  -5.659  -1.699
  155   2HD2  LEU  26          2HD2      LEU  26 -11.995  -6.036  -0.526
  156   3HD2  LEU  26          3HD2      LEU  26 -12.727  -7.325  -1.485
  157    H    HIS  27           H        HIS  27  -7.456  -7.835  -1.414
  158    HA   HIS  27           HA       HIS  27  -6.951  -9.274  -3.774
  159   1HB   HIS  27          2HB       HIS  27  -5.197  -8.036  -2.550
  160   2HB   HIS  27          1HB       HIS  27  -5.251  -9.231  -1.247
  161    HD1  HIS  27           1HD      HIS  27  -5.391 -10.025  -4.953
  162    HD2  HIS  27           2HD      HIS  27  -2.796 -10.469  -1.717
  163    HE1  HIS  27           1HE      HIS  27  -3.512 -11.503  -5.749
  164    HE2  HIS  27           2HE      HIS  27  -2.162 -12.045  -3.686
  165    H    GLU  28           H        GLU  28  -7.505 -10.512  -0.488
  166    HA   GLU  28           HA       GLU  28  -6.955 -13.274  -1.351
  167   1HB   GLU  28          2HB       GLU  28  -6.560 -12.201   1.008
  168   2HB   GLU  28          1HB       GLU  28  -8.282 -12.515   1.264
  169   1HG   GLU  28          2HG       GLU  28  -7.370 -14.917   0.182
  170   2HG   GLU  28          1HG       GLU  28  -6.008 -14.374   1.176
  171    H    ASP  29           H        ASP  29  -9.740 -11.182  -0.787
  172    HA   ASP  29           HA       ASP  29 -11.697 -13.296  -0.810
  173   1HB   ASP  29          2HB       ASP  29 -11.708 -10.324  -0.944
  174   2HB   ASP  29          1HB       ASP  29 -13.050 -11.086  -1.774
  175    H    GLY  30           H        GLY  30  -9.834 -11.757  -3.312
  176   1HA   GLY  30          2HA       GLY  30  -9.660 -12.502  -5.538
  177   2HA   GLY  30          1HA       GLY  30 -11.087 -13.514  -5.318
  178    H    GLU  31           H        GLU  31 -12.379 -10.939  -4.082
  179    HA   GLU  31           HA       GLU  31 -13.797 -10.163  -6.408
  180   1HB   GLU  31          2HB       GLU  31 -14.211  -9.860  -3.736
  181   2HB   GLU  31          1HB       GLU  31 -13.665  -8.256  -4.102
  182   1HG   GLU  31          2HG       GLU  31 -15.912  -8.031  -4.473
  183   2HG   GLU  31          1HG       GLU  31 -15.351  -8.387  -6.111
  184    H    THR  32           H        THR  32 -13.743  -7.237  -6.030
  185    HA   THR  32           HA       THR  32 -11.035  -6.343  -6.467
  186    HB   THR  32           HB       THR  32 -12.565  -5.638  -8.878
  187    HG1  THR  32           1HG      THR  32 -13.495  -7.620  -8.833
  188   1HG2  THR  32          1HG2      THR  32 -10.528  -5.912  -9.883
  189   2HG2  THR  32          2HG2      THR  32 -10.096  -7.306  -8.895
  190   3HG2  THR  32          3HG2      THR  32  -9.999  -5.686  -8.220
  191    H    VAL  33           H        VAL  33 -11.178  -3.931  -7.294
  192    HA   VAL  33           HA       VAL  33 -13.635  -2.653  -6.125
  193    HB   VAL  33           HB       VAL  33 -12.226  -0.975  -5.062
  194   1HG1  VAL  33          1HG1      VAL  33 -11.163  -2.365  -3.365
  195   2HG1  VAL  33          2HG1      VAL  33 -11.160  -3.752  -4.453
  196   3HG1  VAL  33          3HG1      VAL  33 -12.687  -3.113  -3.839
  197   1HG2  VAL  33          1HG2      VAL  33  -9.777  -1.182  -5.124
  198   2HG2  VAL  33          2HG2      VAL  33 -10.402  -0.951  -6.735
  199   3HG2  VAL  33          3HG2      VAL  33  -9.897  -2.557  -6.208
  200    H    GLY  34           H        GLY  34 -14.036  -0.482  -6.986
  201   1HA   GLY  34          2HA       GLY  34 -14.257   0.974  -8.805
  202   2HA   GLY  34          1HA       GLY  34 -12.517   0.772  -9.014
  203    H    SER  35           H        SER  35 -11.770  -0.856 -10.452
  204    HA   SER  35           HA       SER  35 -13.283  -2.816 -11.766
  205   1HB   SER  35          2HB       SER  35 -13.501  -1.375 -14.048
  206   2HB   SER  35          1HB       SER  35 -14.773  -1.403 -12.837
  207    HG   SER  35           HG       SER  35 -12.841   0.588 -13.318
  208    H    ASN  36           H        ASN  36 -10.530  -2.138 -10.938
  209    HA   ASN  36           HA       ASN  36  -9.167  -3.069 -13.376
  210   1HB   ASN  36          2HB       ASN  36  -8.949  -0.315 -12.278
  211   2HB   ASN  36          1HB       ASN  36  -7.396  -1.094 -12.569
  212   1HD2  ASN  36          1HD2      ASN  36 -10.448  -0.207 -14.175
  213   2HD2  ASN  36          2HD2      ASN  36  -9.761  -0.215 -15.755
  214    H    SER  37           H        SER  37  -9.779  -4.003 -10.538
  215    HA   SER  37           HA       SER  37  -8.617  -4.985  -8.768
  216   1HB   SER  37          2HB       SER  37  -7.866  -6.195 -11.028
  217   2HB   SER  37          1HB       SER  37  -6.297  -5.526 -10.586
  218    HG   SER  37           HG       SER  37  -6.569  -7.561  -9.641
  219    H    TYR  38           H        TYR  38  -8.198  -3.168  -7.480
  220    HA   TYR  38           HA       TYR  38  -5.853  -1.536  -8.061
  221   1HB   TYR  38          2HB       TYR  38  -8.127  -1.092  -6.619
  222   2HB   TYR  38          1HB       TYR  38  -6.974  -1.347  -5.310
  223    HD1  TYR  38           1HD      TYR  38  -4.867  -0.004  -5.261
  224    HD2  TYR  38           2HD      TYR  38  -8.049   0.826  -8.002
  225    HE1  TYR  38           1HE      TYR  38  -3.966   2.261  -5.633
  226    HE2  TYR  38           2HE      TYR  38  -7.138   3.103  -8.386
  227    HH   TYR  38           HH       TYR  38  -4.537   4.125  -8.122
  228    HA   PRO  39           HA       PRO  39  -4.025  -3.853  -4.349
  229   1HB   PRO  39          2HB       PRO  39  -5.237  -6.157  -3.554
  230   2HB   PRO  39          1HB       PRO  39  -5.566  -4.570  -2.866
  231   1HG   PRO  39          2HG       PRO  39  -7.242  -6.176  -4.755
  232   2HG   PRO  39          1HG       PRO  39  -7.748  -4.977  -3.553
  233   1HD   PRO  39          2HD       PRO  39  -7.512  -4.576  -6.320
  234   2HD   PRO  39          1HD       PRO  39  -7.710  -3.299  -5.110
  235    H    HIS  40           H        HIS  40  -2.379  -4.457  -5.562
  236    HA   HIS  40           HA       HIS  40  -2.518  -7.039  -7.080
  237   1HB   HIS  40          2HB       HIS  40  -0.563  -5.640  -8.462
  238   2HB   HIS  40          1HB       HIS  40  -2.260  -5.728  -8.940
  239    HD1  HIS  40           1HD      HIS  40  -0.750  -3.749  -6.116
  240    HD2  HIS  40           2HD      HIS  40  -2.725  -3.099  -9.714
  241    HE1  HIS  40           1HE      HIS  40  -1.506  -1.337  -6.086
  242    HE2  HIS  40           2HE      HIS  40  -2.847  -0.991  -8.182
  243    H    LYS  41           H        LYS  41   0.049  -7.516  -7.690
  244    HA   LYS  41           HA       LYS  41   1.338  -7.565  -5.021
  245   1HB   LYS  41          2HB       LYS  41   1.649  -9.731  -5.426
  246   2HB   LYS  41          1HB       LYS  41   0.907  -9.583  -7.011
  247   1HG   LYS  41          2HG       LYS  41   3.814  -8.834  -6.546
  248   2HG   LYS  41          1HG       LYS  41   3.325 -10.491  -6.783
  249   1HD   LYS  41          2HD       LYS  41   2.326  -8.417  -8.731
  250   2HD   LYS  41          1HD       LYS  41   3.983  -9.013  -8.866
  251   1HE   LYS  41          2HE       LYS  41   1.455 -10.681  -8.868
  252   2HE   LYS  41          1HE       LYS  41   2.488 -10.336 -10.261
  253   1HZ   LYS  41          1HZ       LYS  41   3.361 -12.317  -9.646
  254   2HZ   LYS  41          2HZ       LYS  41   2.948 -12.152  -8.020
  255   3HZ   LYS  41          3HZ       LYS  41   4.311 -11.352  -8.633
  256    H    TYR  42           H        TYR  42   3.230  -6.486  -4.696
  257    HA   TYR  42           HA       TYR  42   4.377  -5.060  -7.010
  258   1HB   TYR  42          2HB       TYR  42   3.830  -3.763  -4.985
  259   2HB   TYR  42          1HB       TYR  42   4.908  -4.740  -4.028
  260    HD1  TYR  42           1HD      TYR  42   6.538  -3.153  -3.379
  261    HD2  TYR  42           2HD      TYR  42   5.437  -3.516  -7.519
  262    HE1  TYR  42           1HE      TYR  42   8.423  -1.679  -4.022
  263    HE2  TYR  42           2HE      TYR  42   7.326  -2.076  -8.154
  264    HH   TYR  42           HH       TYR  42   9.740  -1.483  -6.916
  265    H    ASN  43           H        ASN  43   6.479  -5.487  -7.735
  266    HA   ASN  43           HA       ASN  43   7.751  -7.915  -6.625
  267   1HB   ASN  43          2HB       ASN  43   7.446  -7.127  -9.185
  268   2HB   ASN  43          1HB       ASN  43   9.014  -6.373  -8.877
  269   1HD2  ASN  43          1HD2      ASN  43  10.405  -8.127  -7.370
  270   2HD2  ASN  43          2HD2      ASN  43  10.469  -9.669  -8.125
  271    H    ASN  44           H        ASN  44   8.356  -4.441  -6.839
  272    HA   ASN  44           HA       ASN  44   9.802  -3.157  -5.536
  273   1HB   ASN  44          2HB       ASN  44   9.452  -5.161  -3.864
  274   2HB   ASN  44          1HB       ASN  44  11.087  -5.610  -4.373
  275   1HD2  ASN  44          1HD2      ASN  44  12.585  -4.804  -2.962
  276   2HD2  ASN  44          2HD2      ASN  44  12.450  -3.302  -2.143
  277    H    TYR  45           H        TYR  45  11.691  -2.249  -6.181
  278    HA   TYR  45           HA       TYR  45  13.882  -3.871  -7.188
  279   1HB   TYR  45          2HB       TYR  45  11.952  -2.508  -9.032
  280   2HB   TYR  45          1HB       TYR  45  13.660  -2.267  -9.424
  281    HD1  TYR  45           1HD      TYR  45  14.866  -4.825  -8.538
  282    HD2  TYR  45           2HD      TYR  45  11.226  -4.024 -10.684
  283    HE1  TYR  45           1HE      TYR  45  14.982  -7.065  -9.559
  284    HE2  TYR  45           2HE      TYR  45  11.351  -6.274 -11.720
  285    HH   TYR  45           HH       TYR  45  13.817  -8.033 -12.056
  286    H    GLU  46           H        GLU  46  12.466  -0.665  -6.826
  287    HA   GLU  46           HA       GLU  46  14.500   1.055  -7.229
  288   1HB   GLU  46          2HB       GLU  46  12.138   1.102  -5.803
  289   2HB   GLU  46          1HB       GLU  46  13.287   1.405  -4.521
  290   1HG   GLU  46          2HG       GLU  46  13.797   2.915  -7.021
  291   2HG   GLU  46          1HG       GLU  46  12.269   3.266  -6.213
  292    H    GLY  47           H        GLY  47  14.103  -0.213  -3.902
  293   1HA   GLY  47          2HA       GLY  47  16.426  -1.489  -3.378
  294   2HA   GLY  47          1HA       GLY  47  16.982   0.187  -3.406
  295    H    PHE  48           H        PHE  48  14.244  -1.668  -2.030
  296    HA   PHE  48           HA       PHE  48  14.218   0.164   0.308
  297   1HB   PHE  48          2HB       PHE  48  12.451  -2.241  -0.299
  298   2HB   PHE  48          1HB       PHE  48  12.180  -1.028   0.953
  299    HD1  PHE  48           1HD      PHE  48  12.443  -1.478  -2.734
  300    HD2  PHE  48           2HD      PHE  48  11.081   0.982   0.485
  301    HE1  PHE  48           1HE      PHE  48  11.198  -0.093  -4.340
  302    HE2  PHE  48           2HE      PHE  48   9.836   2.390  -1.118
  303    HZ   PHE  48           HZ       PHE  48   9.901   1.833  -3.529
  304    H    ASP  49           H        ASP  49  13.492  -1.491   2.345
  305    HA   ASP  49           HA       ASP  49  15.475  -3.694   2.492
  306   1HB   ASP  49          2HB       ASP  49  16.341  -2.853   4.646
  307   2HB   ASP  49          1HB       ASP  49  16.629  -1.664   3.367
  308    H    PHE  50           H        PHE  50  12.499  -3.359   2.385
  309    HA   PHE  50           HA       PHE  50  11.176  -3.664   4.810
  310   1HB   PHE  50          2HB       PHE  50  10.766  -5.290   2.275
  311   2HB   PHE  50          1HB       PHE  50   9.567  -5.117   3.582
  312    HD1  PHE  50           1HD      PHE  50   8.952  -4.369   0.769
  313    HD2  PHE  50           2HD      PHE  50  10.670  -2.048   3.929
  314    HE1  PHE  50           1HE      PHE  50   8.085  -2.327  -0.286
  315    HE2  PHE  50           2HE      PHE  50   9.820   0.000   2.879
  316    HZ   PHE  50           HZ       PHE  50   8.523  -0.127   0.768
  317    H    SER  51           H        SER  51  10.259  -5.840   5.654
  318    HA   SER  51           HA       SER  51  12.274  -8.027   5.561
  319   1HB   SER  51          2HB       SER  51  11.609  -6.348   7.975
  320   2HB   SER  51          1HB       SER  51  12.017  -8.053   8.196
  321    HG   SER  51           HG       SER  51  13.857  -6.670   8.277
  322    H    VAL  52           H        VAL  52   9.469  -7.640   4.645
  323    HA   VAL  52           HA       VAL  52   7.967  -9.412   6.512
  324    HB   VAL  52           HB       VAL  52   7.113  -7.899   4.033
  325   1HG1  VAL  52          1HG1      VAL  52   4.845  -8.590   5.370
  326   2HG1  VAL  52          2HG1      VAL  52   5.817 -10.019   5.668
  327   3HG1  VAL  52          3HG1      VAL  52   5.503  -9.497   4.013
  328   1HG2  VAL  52          1HG2      VAL  52   6.573  -7.452   6.975
  329   2HG2  VAL  52          2HG2      VAL  52   5.838  -6.554   5.651
  330   3HG2  VAL  52          3HG2      VAL  52   7.571  -6.439   5.927
  331    H    SER  53           H        SER  53   7.461  -9.454   3.006
  332    HA   SER  53           HA       SER  53   8.773 -12.106   2.820
  333   1HB   SER  53          2HB       SER  53   5.846 -11.554   2.221
  334   2HB   SER  53          1HB       SER  53   6.695 -13.024   1.744
  335    HG   SER  53           HG       SER  53   6.041 -12.144   4.323
  336    H    SER  54           H        SER  54   8.156 -12.854   0.348
  337    HA   SER  54           HA       SER  54   9.435 -10.797  -1.304
  338   1HB   SER  54          2HB       SER  54   8.411 -13.274  -2.608
  339   2HB   SER  54          1HB       SER  54   9.981 -12.493  -2.682
  340    HG   SER  54           HG       SER  54  10.074 -14.470  -1.545
  341    HA   PRO  55           HA       PRO  55   5.337 -11.196  -3.743
  342   1HB   PRO  55          2HB       PRO  55   3.246 -12.480  -2.517
  343   2HB   PRO  55          1HB       PRO  55   4.431 -13.273  -3.550
  344   1HG   PRO  55          2HG       PRO  55   4.195 -13.352  -0.568
  345   2HG   PRO  55          1HG       PRO  55   4.854 -14.573  -1.672
  346   1HD   PRO  55          2HD       PRO  55   6.304 -12.763  -0.120
  347   2HD   PRO  55          1HD       PRO  55   6.964 -13.754  -1.411
  348    H    TYR  56           H        TYR  56   5.618  -8.993  -3.025
  349    HA   TYR  56           HA       TYR  56   4.086  -8.021  -0.751
  350   1HB   TYR  56          2HB       TYR  56   5.731  -6.766  -2.941
  351   2HB   TYR  56          1HB       TYR  56   4.749  -5.732  -1.929
  352    HD1  TYR  56           1HD      TYR  56   4.916  -7.054   0.694
  353    HD2  TYR  56           2HD      TYR  56   7.932  -6.333  -2.276
  354    HE1  TYR  56           1HE      TYR  56   6.632  -7.079   2.441
  355    HE2  TYR  56           2HE      TYR  56   9.668  -6.352  -0.507
  356    HH   TYR  56           HH       TYR  56   9.468  -7.641   2.279
  357    H    TYR  57           H        TYR  57   2.733  -5.881  -1.378
  358    HA   TYR  57           HA       TYR  57   1.168  -6.176  -3.793
  359   1HB   TYR  57          2HB       TYR  57  -0.055  -6.654  -1.084
  360   2HB   TYR  57          1HB       TYR  57  -1.019  -6.455  -2.560
  361    HD1  TYR  57           1HD      TYR  57  -0.997  -8.214  -4.285
  362    HD2  TYR  57           2HD      TYR  57   1.210  -8.633  -0.668
  363    HE1  TYR  57           1HE      TYR  57  -0.654 -10.595  -4.801
  364    HE2  TYR  57           2HE      TYR  57   1.514 -11.057  -1.127
  365    HH   TYR  57           HH       TYR  57  -0.158 -12.810  -3.002
  366    H    GLU  58           H        GLU  58  -0.187  -4.286  -4.179
  367    HA   GLU  58           HA       GLU  58   0.519  -2.032  -2.326
  368   1HB   GLU  58          2HB       GLU  58   0.098  -1.940  -5.299
  369   2HB   GLU  58          1HB       GLU  58   0.504  -0.567  -4.297
  370   1HG   GLU  58          2HG       GLU  58   2.654  -1.368  -3.884
  371   2HG   GLU  58          1HG       GLU  58   2.242  -3.021  -4.336
  372    H    TRP  59           H        TRP  59  -1.039  -0.616  -1.761
  373    HA   TRP  59           HA       TRP  59  -3.660  -0.564  -3.011
  374   1HB   TRP  59          2HB       TRP  59  -4.152  -2.457  -1.662
  375   2HB   TRP  59          1HB       TRP  59  -3.236  -1.824  -0.288
  376    HD1  TRP  59           HD       TRP  59  -4.400  -0.128   1.285
  377    HE1  TRP  59           1HE      TRP  59  -6.835   0.647   1.561
  378    HE3  TRP  59           3HE      TRP  59  -6.396  -1.988  -3.041
  379    HZ2  TRP  59           2HZ      TRP  59  -9.296   0.496   0.106
  380    HZ3  TRP  59           3HZ      TRP  59  -8.794  -1.669  -3.540
  381    HH2  TRP  59           HH       TRP  59 -10.254  -0.442  -1.995
  382    HA   PRO  60           HA       PRO  60  -2.988   3.548  -1.449
  383   1HB   PRO  60          2HB       PRO  60  -5.529   4.540  -1.813
  384   2HB   PRO  60          1HB       PRO  60  -4.336   4.290  -3.089
  385   1HG   PRO  60          2HG       PRO  60  -6.685   2.586  -2.390
  386   2HG   PRO  60          1HG       PRO  60  -6.035   2.941  -3.990
  387   1HD   PRO  60          2HD       PRO  60  -5.582   0.607  -2.615
  388   2HD   PRO  60          1HD       PRO  60  -4.497   1.210  -3.799
  389    H    ILE  61           H        ILE  61  -3.172   4.645   0.462
  390    HA   ILE  61           HA       ILE  61  -5.049   3.514   2.520
  391    HB   ILE  61           HB       ILE  61  -3.000   2.877   3.378
  392   1HG1  ILE  61          2HG1      ILE  61  -2.314   4.426   5.127
  393   2HG1  ILE  61          1HG1      ILE  61  -3.048   5.788   4.295
  394   1HG2  ILE  61          1HG2      ILE  61  -0.905   4.202   3.073
  395   2HG2  ILE  61          2HG2      ILE  61  -1.819   5.366   2.113
  396   3HG2  ILE  61          3HG2      ILE  61  -1.633   3.708   1.554
  397   1HD1  ILE  61          1HD1      ILE  61  -4.261   3.776   6.003
  398   2HD1  ILE  61          2HD1      ILE  61  -5.154   3.983   4.535
  399   3HD1  ILE  61          3HD1      ILE  61  -4.829   5.351   5.555
  400    H    LEU  62           H        LEU  62  -6.416   5.024   3.433
  401    HA   LEU  62           HA       LEU  62  -5.758   7.923   3.012
  402   1HB   LEU  62          2HB       LEU  62  -8.606   7.012   3.282
  403   2HB   LEU  62          1HB       LEU  62  -7.921   8.365   2.368
  404    HG   LEU  62           HG       LEU  62  -7.836   5.424   1.620
  405   1HD1  LEU  62          1HD1      LEU  62  -8.811   7.700  -0.087
  406   2HD1  LEU  62          2HD1      LEU  62  -9.853   7.039   1.149
  407   3HD1  LEU  62          3HD1      LEU  62  -9.250   5.995  -0.128
  408   1HD2  LEU  62          1HD2      LEU  62  -5.914   5.862   0.541
  409   2HD2  LEU  62          2HD2      LEU  62  -5.951   7.577   0.963
  410   3HD2  LEU  62          3HD2      LEU  62  -6.778   6.994  -0.452
  411    H    SER  63           H        SER  63  -6.920   9.344   4.625
  412    HA   SER  63           HA       SER  63  -7.344   7.950   7.247
  413   1HB   SER  63          2HB       SER  63  -5.304  10.008   6.558
  414   2HB   SER  63          1HB       SER  63  -6.142  10.246   8.068
  415    HG   SER  63           HG       SER  63  -5.098   7.695   7.457
  416    H    SER  64           H        SER  64  -8.966   9.446   5.029
  417    HA   SER  64           HA       SER  64 -10.634  10.920   6.978
  418   1HB   SER  64          2HB       SER  64  -8.944  12.204   4.947
  419   2HB   SER  64          1HB       SER  64 -10.649  12.617   4.743
  420    HG   SER  64           HG       SER  64  -8.971  13.066   6.957
  421    H    GLY  65           H        GLY  65 -10.285  10.198   3.474
  422   1HA   GLY  65          2HA       GLY  65 -13.131  10.120   3.019
  423   2HA   GLY  65          1HA       GLY  65 -11.897   9.455   1.946
  424    H    ASP  66           H        ASP  66 -11.460   7.248   2.037
  425    HA   ASP  66           HA       ASP  66 -11.971   5.521   4.177
  426   1HB   ASP  66          2HB       ASP  66 -14.428   6.389   3.234
  427   2HB   ASP  66          1HB       ASP  66 -14.186   4.969   2.244
  428    H    VAL  67           H        VAL  67 -12.852   3.201   2.796
  429    HA   VAL  67           HA       VAL  67 -10.508   2.280   1.599
  430    HB   VAL  67           HB       VAL  67 -13.283   1.301   0.826
  431   1HG1  VAL  67          1HG1      VAL  67 -11.346   0.321  -0.367
  432   2HG1  VAL  67          2HG1      VAL  67 -12.144  -0.857   0.659
  433   3HG1  VAL  67          3HG1      VAL  67 -10.638  -0.127   1.184
  434   1HG2  VAL  67          1HG2      VAL  67 -13.397   1.400   3.183
  435   2HG2  VAL  67          2HG2      VAL  67 -11.708   0.937   3.383
  436   3HG2  VAL  67          3HG2      VAL  67 -12.898  -0.248   2.850
  437    H    TYR  68           H        TYR  68  -9.675   2.420  -0.494
  438    HA   TYR  68           HA       TYR  68 -10.460   4.459  -2.239
  439   1HB   TYR  68          2HB       TYR  68  -8.325   3.573  -2.615
  440   2HB   TYR  68          1HB       TYR  68  -8.898   1.905  -2.701
  441    HD1  TYR  68           1HD      TYR  68  -8.867   5.166  -4.448
  442    HD2  TYR  68           2HD      TYR  68  -9.705   0.981  -4.756
  443    HE1  TYR  68           1HE      TYR  68  -9.071   5.386  -6.935
  444    HE2  TYR  68           2HE      TYR  68  -9.935   1.197  -7.215
  445    HH   TYR  68           HH       TYR  68 -10.502   3.756  -8.818
  446    H    SER  69           H        SER  69 -12.352   4.664  -3.347
  447    HA   SER  69           HA       SER  69 -13.360   2.653  -5.111
  448   1HB   SER  69          2HB       SER  69 -15.612   2.605  -3.450
  449   2HB   SER  69          1HB       SER  69 -14.406   1.331  -3.598
  450    HG   SER  69           HG       SER  69 -14.808   2.155  -1.413
  451    H    GLY  70           H        GLY  70 -13.157   4.864  -6.159
  452   1HA   GLY  70          2HA       GLY  70 -14.942   6.168  -7.314
  453   2HA   GLY  70          1HA       GLY  70 -15.695   6.443  -5.748
  454    H    GLY  71           H        GLY  71 -12.477   6.867  -7.270
  455   1HA   GLY  71          2HA       GLY  71 -12.356   9.661  -7.067
  456   2HA   GLY  71          1HA       GLY  71 -11.765   9.065  -5.513
  457    H    SER  72           H        SER  72  -9.575   9.390  -5.652
  458    HA   SER  72           HA       SER  72  -8.059   7.689  -7.459
  459   1HB   SER  72          2HB       SER  72  -7.485  10.619  -7.855
  460   2HB   SER  72          1HB       SER  72  -7.122   9.241  -8.902
  461    HG   SER  72           HG       SER  72  -8.910  10.555  -9.615
  462    HA   PRO  73           HA       PRO  73  -5.824   8.644  -3.583
  463   1HB   PRO  73          2HB       PRO  73  -4.649   6.195  -3.411
  464   2HB   PRO  73          1HB       PRO  73  -6.277   6.528  -2.850
  465   1HG   PRO  73          2HG       PRO  73  -5.430   5.047  -5.294
  466   2HG   PRO  73          1HG       PRO  73  -6.879   4.877  -4.336
  467   1HD   PRO  73          2HD       PRO  73  -6.685   6.260  -6.807
  468   2HD   PRO  73          1HD       PRO  73  -8.022   6.387  -5.676
  469    H    GLY  74           H        GLY  74  -3.863   6.293  -5.419
  470   1HA   GLY  74          2HA       GLY  74  -1.754   6.492  -6.340
  471   2HA   GLY  74          1HA       GLY  74  -2.197   8.148  -6.759
  472    H    ALA  75           H        ALA  75   0.304   8.186  -6.099
  473    HA   ALA  75           HA       ALA  75   1.881   8.957  -4.570
  474   1HB   ALA  75          1HB       ALA  75  -0.570  10.007  -3.126
  475   2HB   ALA  75          2HB       ALA  75   0.261  10.807  -4.451
  476   3HB   ALA  75          3HB       ALA  75   1.092  10.560  -2.920
  477    H    ASP  76           H        ASP  76   0.396   9.089  -1.593
  478    HA   ASP  76           HA       ASP  76   1.816   7.140  -0.322
  479   1HB   ASP  76          2HB       ASP  76  -1.043   8.042   0.185
  480   2HB   ASP  76          1HB       ASP  76  -0.159   7.005   1.315
  481    H    ARG  77           H        ARG  77   1.555   4.933   0.174
  482    HA   ARG  77           HA       ARG  77  -0.694   3.352  -0.622
  483   1HB   ARG  77          2HB       ARG  77   0.181   3.935  -2.910
  484   2HB   ARG  77          1HB       ARG  77   1.706   3.169  -2.488
  485   1HG   ARG  77          2HG       ARG  77   0.866   1.239  -3.198
  486   2HG   ARG  77          1HG       ARG  77  -0.241   1.249  -1.833
  487   1HD   ARG  77          2HD       ARG  77  -1.602   1.023  -3.758
  488   2HD   ARG  77          1HD       ARG  77  -1.779   2.712  -3.261
  489    HE   ARG  77           HE       ARG  77   0.102   3.104  -4.815
  490   1HH1  ARG  77          1HH2      ARG  77  -2.219   4.265  -5.245
  491   2HH1  ARG  77          2HH2      ARG  77  -2.849   3.741  -6.771
  492   1HH2  ARG  77          1HH1      ARG  77  -0.831   0.917  -6.942
  493   2HH2  ARG  77          2HH1      ARG  77  -2.087   1.826  -7.717
  494    H    VAL  78           H        VAL  78  -0.220   2.468   1.459
  495    HA   VAL  78           HA       VAL  78   2.327   1.445   2.231
  496    HB   VAL  78           HB       VAL  78   0.581   1.925   3.887
  497   1HG1  VAL  78          1HG1      VAL  78  -0.866  -0.484   2.723
  498   2HG1  VAL  78          2HG1      VAL  78  -1.357   1.187   2.469
  499   3HG1  VAL  78          3HG1      VAL  78  -1.380   0.501   4.081
  500   1HG2  VAL  78          1HG2      VAL  78   2.375   0.059   4.171
  501   2HG2  VAL  78          2HG2      VAL  78   1.026  -1.065   3.985
  502   3HG2  VAL  78          3HG2      VAL  78   1.023   0.125   5.286
  503    H    VAL  79           H        VAL  79   3.172  -0.670   2.105
  504    HA   VAL  79           HA       VAL  79   1.791  -2.439   0.125
  505    HB   VAL  79           HB       VAL  79   4.682  -2.094   0.920
  506   1HG1  VAL  79          1HG1      VAL  79   5.236  -4.027  -0.450
  507   2HG1  VAL  79          2HG1      VAL  79   3.554  -4.300  -0.810
  508   3HG1  VAL  79          3HG1      VAL  79   4.155  -4.574   0.794
  509   1HG2  VAL  79          1HG2      VAL  79   3.628  -0.691  -0.854
  510   2HG2  VAL  79          2HG2      VAL  79   3.343  -2.152  -1.790
  511   3HG2  VAL  79          3HG2      VAL  79   4.997  -1.662  -1.412
  512    H    PHE  80           H        PHE  80   2.114  -4.797   0.504
  513    HA   PHE  80           HA       PHE  80   2.570  -5.659   3.248
  514   1HB   PHE  80          2HB       PHE  80   0.191  -6.430   3.518
  515   2HB   PHE  80          1HB       PHE  80   0.379  -4.688   3.439
  516    HD1  PHE  80           1HD      PHE  80   0.019  -3.495   1.177
  517    HD2  PHE  80           2HD      PHE  80  -1.177  -7.549   1.953
  518    HE1  PHE  80           1HE      PHE  80  -1.497  -3.407  -0.755
  519    HE2  PHE  80           2HE      PHE  80  -2.710  -7.455   0.006
  520    HZ   PHE  80           HZ       PHE  80  -2.871  -5.384  -1.349
  521    H    ASN  81           H        ASN  81   1.422  -8.109   3.240
  522    HA   ASN  81           HA       ASN  81   2.326  -9.340   0.654
  523   1HB   ASN  81          2HB       ASN  81   2.865 -11.344   2.318
  524   2HB   ASN  81          1HB       ASN  81   4.016 -10.038   2.028
  525   1HD2  ASN  81          1HD2      ASN  81   2.684 -11.752   4.499
  526   2HD2  ASN  81          2HD2      ASN  81   2.805 -10.561   5.719
  527    H    GLU  82           H        GLU  82   0.902 -10.880   3.500
  528    HA   GLU  82           HA       GLU  82  -1.698 -11.158   2.243
  529   1HB   GLU  82          2HB       GLU  82  -1.553 -13.688   2.291
  530   2HB   GLU  82          1HB       GLU  82  -0.544 -12.922   1.058
  531   1HG   GLU  82          2HG       GLU  82   1.441 -13.229   2.266
  532   2HG   GLU  82          1HG       GLU  82   0.602 -13.581   3.773
  533    H    ASN  83           H        ASN  83  -0.279 -10.321   4.833
  534    HA   ASN  83           HA       ASN  83  -2.177 -11.726   6.644
  535   1HB   ASN  83          2HB       ASN  83   0.831 -11.504   6.936
  536   2HB   ASN  83          1HB       ASN  83  -0.208 -11.665   8.360
  537   1HD2  ASN  83          1HD2      ASN  83  -0.336 -13.784   8.998
  538   2HD2  ASN  83          2HD2      ASN  83  -0.346 -15.130   7.917
  539    H    ASN  84           H        ASN  84  -1.875  -9.031   5.285
  540    HA   ASN  84           HA       ASN  84  -2.084  -6.818   5.809
  541   1HB   ASN  84          2HB       ASN  84  -3.642  -6.314   7.499
  542   2HB   ASN  84          1HB       ASN  84  -4.037  -7.989   7.101
  543   1HD2  ASN  84          1HD2      ASN  84  -3.954  -9.470   8.792
  544   2HD2  ASN  84          2HD2      ASN  84  -3.275  -9.118  10.341
  545    H    GLN  85           H        GLN  85   0.399  -8.361   6.712
  546    HA   GLN  85           HA       GLN  85   1.340  -7.239   9.164
  547   1HB   GLN  85          2HB       GLN  85   2.926  -8.063   6.694
  548   2HB   GLN  85          1HB       GLN  85   3.607  -7.825   8.312
  549   1HG   GLN  85          2HG       GLN  85   1.390  -9.786   7.732
  550   2HG   GLN  85          1HG       GLN  85   3.088 -10.203   7.588
  551   1HE2  GLN  85          1HE2      GLN  85   1.550 -11.547   9.479
  552   2HE2  GLN  85          2HE2      GLN  85   2.032 -11.022  11.048
  553    H    LEU  86           H        LEU  86   3.564  -6.309   6.742
  554    HA   LEU  86           HA       LEU  86   2.600  -3.923   5.805
  555   1HB   LEU  86          2HB       LEU  86   2.722  -3.631   8.560
  556   2HB   LEU  86          1HB       LEU  86   4.306  -3.064   8.102
  557    HG   LEU  86           HG       LEU  86   2.651  -1.226   8.148
  558   1HD1  LEU  86          1HD1      LEU  86   4.644  -1.356   6.516
  559   2HD1  LEU  86          2HD1      LEU  86   3.346  -0.235   6.118
  560   3HD1  LEU  86          3HD1      LEU  86   3.448  -1.784   5.289
  561   1HD2  LEU  86          1HD2      LEU  86   0.762  -2.808   7.358
  562   2HD2  LEU  86          2HD2      LEU  86   1.345  -2.492   5.727
  563   3HD2  LEU  86          3HD2      LEU  86   0.782  -1.179   6.746
  564    H    ALA  87           H        ALA  87   3.946  -3.847   4.108
  565    HA   ALA  87           HA       ALA  87   6.758  -4.662   4.338
  566   1HB   ALA  87          1HB       ALA  87   5.222  -4.956   2.297
  567   2HB   ALA  87          2HB       ALA  87   6.841  -4.354   1.993
  568   3HB   ALA  87          3HB       ALA  87   5.503  -3.252   2.018
  569    H    GLY  88           H        GLY  88   4.892  -1.659   3.942
  570   1HA   GLY  88          2HA       GLY  88   6.265   0.127   5.397
  571   2HA   GLY  88          1HA       GLY  88   7.365  -0.022   4.025
  572    H    VAL  89           H        VAL  89   5.960   2.385   4.735
  573    HA   VAL  89           HA       VAL  89   3.749   2.627   2.791
  574    HB   VAL  89           HB       VAL  89   5.056   4.681   4.582
  575   1HG1  VAL  89          1HG1      VAL  89   2.529   4.804   2.906
  576   2HG1  VAL  89          2HG1      VAL  89   4.002   5.717   2.608
  577   3HG1  VAL  89          3HG1      VAL  89   3.053   6.040   4.048
  578   1HG2  VAL  89          1HG2      VAL  89   3.890   2.998   5.867
  579   2HG2  VAL  89          2HG2      VAL  89   2.526   3.032   4.792
  580   3HG2  VAL  89          3HG2      VAL  89   2.849   4.407   5.808
  581    H    ILE  90           H        ILE  90   4.293   2.868   0.687
  582    HA   ILE  90           HA       ILE  90   6.788   4.390   0.008
  583    HB   ILE  90           HB       ILE  90   6.797   3.191  -2.048
  584   1HG1  ILE  90          2HG1      ILE  90   4.006   2.470  -1.220
  585   2HG1  ILE  90          1HG1      ILE  90   4.592   2.913  -2.804
  586   1HG2  ILE  90          1HG2      ILE  90   7.642   2.090   0.042
  587   2HG2  ILE  90          2HG2      ILE  90   7.213   0.969  -1.233
  588   3HG2  ILE  90          3HG2      ILE  90   6.118   1.213   0.135
  589   1HD1  ILE  90          1HD1      ILE  90   5.149   0.306  -1.429
  590   2HD1  ILE  90          2HD1      ILE  90   5.651   0.717  -3.037
  591   3HD1  ILE  90          3HD1      ILE  90   3.943   0.541  -2.668
  592    H    THR  91           H        THR  91   6.623   5.964  -1.741
  593    HA   THR  91           HA       THR  91   3.840   7.017  -2.013
  594    HB   THR  91           HB       THR  91   5.749   8.434  -0.979
  595    HG1  THR  91           1HG      THR  91   4.717  10.196  -1.768
  596   1HG2  THR  91          1HG2      THR  91   7.265   7.723  -2.968
  597   2HG2  THR  91          2HG2      THR  91   7.348   9.375  -2.390
  598   3HG2  THR  91          3HG2      THR  91   6.441   8.991  -3.843
  599    H    HIS  92           H        HIS  92   3.078   7.558  -4.058
  600    HA   HIS  92           HA       HIS  92   4.616   6.562  -6.373
  601   1HB   HIS  92          2HB       HIS  92   2.332   5.446  -5.595
  602   2HB   HIS  92          1HB       HIS  92   1.606   6.802  -6.438
  603    HD1  HIS  92           1HD      HIS  92   4.242   4.167  -7.155
  604    HD2  HIS  92           2HD      HIS  92   1.344   6.380  -9.136
  605    HE1  HIS  92           1HE      HIS  92   4.121   3.220  -9.494
  606    HE2  HIS  92           2HE      HIS  92   2.201   4.416 -10.619
  607    H    THR  93           H        THR  93   5.415   8.927  -6.040
  608    HA   THR  93           HA       THR  93   4.426  10.568  -8.140
  609    HB   THR  93           HB       THR  93   3.281  11.150  -5.399
  610    HG1  THR  93           1HG      THR  93   2.202  11.195  -8.055
  611   1HG2  THR  93          1HG2      THR  93   4.238  13.255  -5.849
  612   2HG2  THR  93          2HG2      THR  93   2.603  13.384  -6.480
  613   3HG2  THR  93          3HG2      THR  93   3.943  13.128  -7.590
  614    H    GLY  94           H        GLY  94   6.145  10.374  -5.064
  615   1HA   GLY  94          2HA       GLY  94   7.660  12.821  -5.509
  616   2HA   GLY  94          1HA       GLY  94   7.931  11.634  -4.237
  617    H    ALA  95           H        ALA  95   7.788  10.111  -7.287
  618    HA   ALA  95           HA       ALA  95  10.715  10.402  -7.721
  619   1HB   ALA  95          1HB       ALA  95   9.258   7.752  -7.438
  620   2HB   ALA  95          2HB       ALA  95  10.399   8.427  -6.276
  621   3HB   ALA  95          3HB       ALA  95  10.954   7.959  -7.883
  622    H    SER  96           H        SER  96  11.328  10.052  -9.888
  623    HA   SER  96           HA       SER  96   9.623  10.749 -11.942
  624   1HB   SER  96          2HB       SER  96  11.199   9.100 -13.366
  625   2HB   SER  96          1HB       SER  96  11.837  10.580 -12.642
  626    HG   SER  96           HG       SER  96  13.155   8.826 -12.094
  627    H    GLY  97           H        GLY  97   7.939   9.735 -13.040
  628   1HA   GLY  97          2HA       GLY  97   6.373   8.064 -13.556
  629   2HA   GLY  97          1HA       GLY  97   7.664   6.883 -13.303
  630    H    ASN  98           H        ASN  98   6.563   9.248 -10.928
  631    HA   ASN  98           HA       ASN  98   6.080   8.869  -8.688
  632   1HB   ASN  98          2HB       ASN  98   3.787   7.247  -9.061
  633   2HB   ASN  98          1HB       ASN  98   3.862   8.958  -8.933
  634   1HD2  ASN  98          1HD2      ASN  98   2.857   6.571 -11.004
  635   2HD2  ASN  98          2HD2      ASN  98   2.797   7.519 -12.411
  636    H    ASN  99           H        ASN  99   8.085   7.017  -9.431
  637    HA   ASN  99           HA       ASN  99   7.430   4.296  -8.927
  638   1HB   ASN  99          2HB       ASN  99   9.909   5.973  -8.823
  639   2HB   ASN  99          1HB       ASN  99   9.963   4.481  -7.878
  640   1HD2  ASN  99          1HD2      ASN  99  11.490   3.534  -9.378
  641   2HD2  ASN  99          2HD2      ASN  99  10.957   2.994 -10.930
  642    H    PHE 100           H        PHE 100   8.108   3.117  -6.848
  643    HA   PHE 100           HA       PHE 100   6.841   4.557  -4.590
  644   1HB   PHE 100          2HB       PHE 100   7.743   1.747  -4.196
  645   2HB   PHE 100          1HB       PHE 100   6.274   2.568  -3.774
  646    HD1  PHE 100           1HD      PHE 100   7.998   0.873  -6.482
  647    HD2  PHE 100           2HD      PHE 100   4.360   2.739  -5.212
  648    HE1  PHE 100           1HE      PHE 100   6.820  -0.097  -8.446
  649    HE2  PHE 100           2HE      PHE 100   3.179   1.776  -7.169
  650    HZ   PHE 100           HZ       PHE 100   4.409   0.347  -8.779
  651    H    VAL 101           H        VAL 101   7.875   4.890  -2.609
  652    HA   VAL 101           HA       VAL 101  10.618   4.004  -2.149
  653    HB   VAL 101           HB       VAL 101  11.503   6.357  -1.952
  654   1HG1  VAL 101          1HG1      VAL 101  11.736   4.767  -4.001
  655   2HG1  VAL 101          2HG1      VAL 101  12.110   6.465  -4.197
  656   3HG1  VAL 101          3HG1      VAL 101  10.579   5.852  -4.787
  657   1HG2  VAL 101          1HG2      VAL 101   9.277   7.488  -1.826
  658   2HG2  VAL 101          2HG2      VAL 101   8.976   7.017  -3.497
  659   3HG2  VAL 101          3HG2      VAL 101  10.280   8.125  -3.115
  660    H    GLU 102           H        GLU 102  10.916   3.894   0.056
  661    HA   GLU 102           HA       GLU 102   8.880   4.129   1.907
  662   1HB   GLU 102          2HB       GLU 102  11.806   4.794   2.431
  663   2HB   GLU 102          1HB       GLU 102  10.608   4.359   3.665
  664   1HG   GLU 102          2HG       GLU 102  10.256   2.185   2.358
  665   2HG   GLU 102          1HG       GLU 102  11.707   2.638   1.446
  666    H    CYS 103           H        CYS 103   7.845   5.795   2.970
  667    HA   CYS 103           HA       CYS 103   8.042   8.453   1.955
  668   1HB   CYS 103          2HB       CYS 103   6.677   7.130   4.285
  669   2HB   CYS 103          1HB       CYS 103   6.843   8.892   4.353
  670    H    THR 104           H        THR 104   9.616   9.939   2.320
  671    HA   THR 104           HA       THR 104  10.999   9.910   4.978
  672    HB   THR 104           HB       THR 104  12.979  10.728   3.175
  673    HG1  THR 104           1HG      THR 104  12.856   9.425   1.433
  674   1HG2  THR 104          1HG2      THR 104  14.001   8.576   3.650
  675   2HG2  THR 104          2HG2      THR 104  12.460   7.940   4.221
  676   3HG2  THR 104          3HG2      THR 104  13.262   9.238   5.108
  Start of MODEL    2
    1   1H    ALA   1          1HT       ALA   1  -0.801  10.409  16.607
    2   2H    ALA   1          2HT       ALA   1  -0.145  11.909  16.084
    3   3H    ALA   1          3HT       ALA   1  -0.003  11.441  17.725
    4    HA   ALA   1           HA       ALA   1   2.072  11.155  16.578
    5   1HB   ALA   1          1HB       ALA   1   0.675   8.549  17.252
    6   2HB   ALA   1          2HB       ALA   1   1.481   9.616  18.400
    7   3HB   ALA   1          3HB       ALA   1   2.423   8.785  17.164
    8    H    CYS   2           H        CYS   2   3.253   9.816  14.956
    9    HA   CYS   2           HA       CYS   2   2.046   8.206  13.020
   10   1HB   CYS   2          2HB       CYS   2   1.925   9.904  11.110
   11   2HB   CYS   2          1HB       CYS   2   0.637  10.024  12.304
   12    H    ASP   3           H        ASP   3   3.648   7.348  11.711
   13    HA   ASP   3           HA       ASP   3   6.293   8.769  11.762
   14   1HB   ASP   3          2HB       ASP   3   6.143   6.561  13.000
   15   2HB   ASP   3          1HB       ASP   3   5.829   5.778  11.446
   16    H    TYR   4           H        TYR   4   3.891   7.111   9.766
   17    HA   TYR   4           HA       TYR   4   5.615   7.317   7.384
   18   1HB   TYR   4          2HB       TYR   4   2.800   6.290   7.898
   19   2HB   TYR   4          1HB       TYR   4   3.444   6.445   6.255
   20    HD1  TYR   4           1HD      TYR   4   6.242   5.692   6.510
   21    HD2  TYR   4           2HD      TYR   4   2.753   3.986   8.356
   22    HE1  TYR   4           1HE      TYR   4   7.421   3.536   6.732
   23    HE2  TYR   4           2HE      TYR   4   3.935   1.816   8.569
   24    HH   TYR   4           HH       TYR   4   6.129   0.733   7.084
   25    H    THR   5           H        THR   5   5.907   9.542   7.059
   26    HA   THR   5           HA       THR   5   3.395  11.012   6.314
   27    HB   THR   5           HB       THR   5   5.836  12.031   7.802
   28    HG1  THR   5           1HG      THR   5   4.343  11.283   9.228
   29   1HG2  THR   5          1HG2      THR   5   3.657  13.495   6.310
   30   2HG2  THR   5          2HG2      THR   5   5.403  13.765   6.267
   31   3HG2  THR   5          3HG2      THR   5   4.476  14.216   7.691
   32    H    CYS   6           H        CYS   6   3.479  12.136   4.405
   33    HA   CYS   6           HA       CYS   6   6.107  12.449   3.019
   34   1HB   CYS   6          2HB       CYS   6   3.819  10.703   2.204
   35   2HB   CYS   6          1HB       CYS   6   4.585  11.640   0.919
   36    H    GLY   7           H        GLY   7   3.741  14.003   4.219
   37   1HA   GLY   7          2HA       GLY   7   3.965  16.315   2.623
   38   2HA   GLY   7          1HA       GLY   7   2.485  15.481   2.137
   39    H    SER   8           H        SER   8   4.062  15.922   5.320
   40    HA   SER   8           HA       SER   8   3.162  16.649   7.336
   41   1HB   SER   8          2HB       SER   8   3.059  18.847   6.522
   42   2HB   SER   8          1HB       SER   8   1.842  18.469   5.309
   43    HG   SER   8           HG       SER   8   1.527  18.844   8.076
   44    H    ASN   9           H        ASN   9   1.778  14.454   5.668
   45    HA   ASN   9           HA       ASN   9  -1.043  14.695   6.314
   46   1HB   ASN   9          2HB       ASN   9   0.757  12.552   5.188
   47   2HB   ASN   9          1HB       ASN   9  -0.823  12.117   5.765
   48   1HD2  ASN   9          1HD2      ASN   9   0.873  13.738   3.233
   49   2HD2  ASN   9          2HD2      ASN   9  -0.532  14.122   2.304
   50    H    CYS  10           H        CYS  10   1.800  13.202   7.841
   51    HA   CYS  10           HA       CYS  10   2.046  12.338   9.946
   52   1HB   CYS  10          2HB       CYS  10   1.031  14.453  10.694
   53   2HB   CYS  10          1HB       CYS  10  -0.586  13.785  10.469
   54    H    TYR  11           H        TYR  11   1.173  10.486   8.204
   55    HA   TYR  11           HA       TYR  11  -1.317   9.217   9.149
   56   1HB   TYR  11          2HB       TYR  11   0.801   8.510   7.097
   57   2HB   TYR  11          1HB       TYR  11  -0.423   7.334   7.565
   58    HD1  TYR  11           1HD      TYR  11  -0.883   7.556   5.009
   59    HD2  TYR  11           2HD      TYR  11  -1.692  10.668   7.872
   60    HE1  TYR  11           1HE      TYR  11  -2.499   8.604   3.447
   61    HE2  TYR  11           2HE      TYR  11  -3.282  11.695   6.331
   62    HH   TYR  11           HH       TYR  11  -4.638  10.214   3.766
   63    H    SER  12           H        SER  12  -1.464   7.725  10.732
   64    HA   SER  12           HA       SER  12   1.026   6.971  12.125
   65   1HB   SER  12          2HB       SER  12  -1.777   6.132  12.885
   66   2HB   SER  12          1HB       SER  12  -0.354   6.297  13.922
   67    HG   SER  12           HG       SER  12  -1.938   8.071  13.974
   68    H    SER  13           H        SER  13   1.898   4.942  12.164
   69    HA   SER  13           HA       SER  13   1.403   3.124  10.072
   70   1HB   SER  13          2HB       SER  13   3.002   1.802  11.062
   71   2HB   SER  13          1HB       SER  13   3.286   3.257  12.023
   72    HG   SER  13           HG       SER  13   2.936   1.257  13.243
   73    H    SER  14           H        SER  14  -0.304   3.599  13.082
   74    HA   SER  14           HA       SER  14  -1.637   1.019  13.051
   75   1HB   SER  14          2HB       SER  14  -1.514   2.044  15.187
   76   2HB   SER  14          1HB       SER  14  -2.050   3.609  14.562
   77    HG   SER  14           HG       SER  14  -3.785   2.614  15.583
   78    H    ASP  15           H        ASP  15  -2.375   4.312  11.929
   79    HA   ASP  15           HA       ASP  15  -5.077   3.670  11.123
   80   1HB   ASP  15          2HB       ASP  15  -4.035   6.019  11.508
   81   2HB   ASP  15          1HB       ASP  15  -3.357   5.859   9.882
   82    H    VAL  16           H        VAL  16  -1.882   3.373   9.738
   83    HA   VAL  16           HA       VAL  16  -2.760   2.949   7.027
   84    HB   VAL  16           HB       VAL  16  -0.224   1.836   8.270
   85   1HG1  VAL  16          1HG1      VAL  16  -0.964   2.781   5.476
   86   2HG1  VAL  16          2HG1      VAL  16  -0.737   1.107   5.977
   87   3HG1  VAL  16          3HG1      VAL  16   0.632   2.215   5.968
   88   1HG2  VAL  16          1HG2      VAL  16   0.642   4.143   7.261
   89   2HG2  VAL  16          2HG2      VAL  16   0.028   4.029   8.882
   90   3HG2  VAL  16          3HG2      VAL  16  -1.003   4.664   7.620
   91    H    SER  17           H        SER  17  -2.364   0.922   9.875
   92    HA   SER  17           HA       SER  17  -2.434  -1.627   8.630
   93   1HB   SER  17          2HB       SER  17  -2.001  -1.901  10.861
   94   2HB   SER  17          1HB       SER  17  -3.029  -0.558  11.345
   95    HG   SER  17           HG       SER  17  -3.992  -2.489  11.973
   96    H    THR  18           H        THR  18  -5.099   0.462   9.790
   97    HA   THR  18           HA       THR  18  -7.226  -1.309   9.125
   98    HB   THR  18           HB       THR  18  -8.315   1.203   8.659
   99    HG1  THR  18           1HG      THR  18  -6.498   2.388   8.965
  100   1HG2  THR  18          1HG2      THR  18  -8.916   1.187  11.022
  101   2HG2  THR  18          2HG2      THR  18  -7.676  -0.022  11.352
  102   3HG2  THR  18          3HG2      THR  18  -9.062  -0.432  10.338
  103    H    ALA  19           H        ALA  19  -5.705   1.286   7.214
  104    HA   ALA  19           HA       ALA  19  -7.254   0.687   4.831
  105   1HB   ALA  19          1HB       ALA  19  -4.713   2.204   5.301
  106   2HB   ALA  19          2HB       ALA  19  -6.316   2.898   5.096
  107   3HB   ALA  19          3HB       ALA  19  -5.501   2.137   3.722
  108    H    GLN  20           H        GLN  20  -4.609  -0.838   6.372
  109    HA   GLN  20           HA       GLN  20  -3.453  -1.930   3.947
  110   1HB   GLN  20          2HB       GLN  20  -2.496  -1.576   6.537
  111   2HB   GLN  20          1HB       GLN  20  -2.796  -3.302   6.505
  112   1HG   GLN  20          2HG       GLN  20  -0.970  -1.682   4.736
  113   2HG   GLN  20          1HG       GLN  20  -0.626  -3.098   5.730
  114   1HE2  GLN  20          1HE2      GLN  20  -1.951  -5.118   5.086
  115   2HE2  GLN  20          2HE2      GLN  20  -2.233  -5.351   3.414
  116    H    ALA  21           H        ALA  21  -5.844  -2.811   6.352
  117    HA   ALA  21           HA       ALA  21  -5.956  -5.621   5.519
  118   1HB   ALA  21          1HB       ALA  21  -6.505  -4.976   7.824
  119   2HB   ALA  21          2HB       ALA  21  -7.893  -5.728   7.040
  120   3HB   ALA  21          3HB       ALA  21  -7.834  -3.974   7.242
  121    H    ALA  22           H        ALA  22  -7.204  -2.618   4.393
  122    HA   ALA  22           HA       ALA  22  -9.659  -3.670   3.236
  123   1HB   ALA  22          1HB       ALA  22  -8.113  -1.132   2.609
  124   2HB   ALA  22          2HB       ALA  22  -9.392  -1.284   3.813
  125   3HB   ALA  22          3HB       ALA  22  -9.765  -1.495   2.105
  126    H    GLY  23           H        GLY  23  -6.492  -2.631   1.871
  127   1HA   GLY  23          2HA       GLY  23  -7.056  -3.633  -0.772
  128   2HA   GLY  23          1HA       GLY  23  -5.456  -3.275  -0.131
  129    H    TYR  24           H        TYR  24  -5.779  -5.074   2.159
  130    HA   TYR  24           HA       TYR  24  -4.810  -7.480   0.872
  131   1HB   TYR  24          2HB       TYR  24  -3.860  -7.096   2.993
  132   2HB   TYR  24          1HB       TYR  24  -5.415  -6.676   3.722
  133    HD1  TYR  24           1HD      TYR  24  -4.128  -9.581   1.717
  134    HD2  TYR  24           2HD      TYR  24  -6.083  -8.235   5.295
  135    HE1  TYR  24           1HE      TYR  24  -4.436 -11.938   2.432
  136    HE2  TYR  24           2HE      TYR  24  -6.391 -10.589   6.015
  137    HH   TYR  24           HH       TYR  24  -6.421 -13.073   4.291
  138    H    GLN  25           H        GLN  25  -7.534  -7.189   3.204
  139    HA   GLN  25           HA       GLN  25  -8.815  -9.552   2.696
  140   1HB   GLN  25          2HB       GLN  25  -9.537  -7.149   3.928
  141   2HB   GLN  25          1HB       GLN  25 -10.799  -7.371   2.726
  142   1HG   GLN  25          2HG       GLN  25 -11.310  -9.560   3.580
  143   2HG   GLN  25          1HG       GLN  25  -9.925  -9.508   4.686
  144   1HE2  GLN  25          1HE2      GLN  25 -10.709  -9.191   6.751
  145   2HE2  GLN  25          2HE2      GLN  25 -11.954  -8.065   7.157
  146    H    LEU  26           H        LEU  26  -9.556  -6.551   0.874
  147    HA   LEU  26           HA       LEU  26 -11.263  -7.644  -1.008
  148   1HB   LEU  26          2HB       LEU  26  -9.772  -5.239  -0.775
  149   2HB   LEU  26          1HB       LEU  26  -9.325  -5.874  -2.345
  150    HG   LEU  26           HG       LEU  26 -11.276  -4.427  -2.574
  151   1HD1  LEU  26          1HD1      LEU  26 -11.106  -6.439  -4.008
  152   2HD1  LEU  26          2HD1      LEU  26 -12.779  -6.006  -3.678
  153   3HD1  LEU  26          3HD1      LEU  26 -12.042  -7.356  -2.835
  154   1HD2  LEU  26          1HD2      LEU  26 -13.317  -4.822  -1.409
  155   2HD2  LEU  26          2HD2      LEU  26 -12.053  -4.810  -0.186
  156   3HD2  LEU  26          3HD2      LEU  26 -12.745  -6.339  -0.727
  157    H    HIS  27           H        HIS  27  -7.712  -7.645  -1.130
  158    HA   HIS  27           HA       HIS  27  -7.429  -8.942  -3.629
  159   1HB   HIS  27          2HB       HIS  27  -5.499  -7.971  -2.525
  160   2HB   HIS  27          1HB       HIS  27  -5.665  -9.078  -1.164
  161    HD1  HIS  27           1HD      HIS  27  -5.944 -10.062  -4.807
  162    HD2  HIS  27           2HD      HIS  27  -3.386 -10.613  -1.556
  163    HE1  HIS  27           1HE      HIS  27  -4.240 -11.780  -5.523
  164    HE2  HIS  27           2HE      HIS  27  -2.885 -12.321  -3.459
  165    H    GLU  28           H        GLU  28  -7.583 -10.402  -0.368
  166    HA   GLU  28           HA       GLU  28  -7.641 -13.110  -1.554
  167   1HB   GLU  28          2HB       GLU  28  -7.702 -13.891   0.774
  168   2HB   GLU  28          1HB       GLU  28  -6.426 -12.690   0.557
  169   1HG   GLU  28          2HG       GLU  28  -7.306 -11.487   2.207
  170   2HG   GLU  28          1HG       GLU  28  -8.729 -11.194   1.237
  171    H    ASP  29           H        ASP  29  -9.939 -10.872  -1.593
  172    HA   ASP  29           HA       ASP  29 -12.106 -12.647  -0.613
  173   1HB   ASP  29          2HB       ASP  29 -11.992 -10.239   0.176
  174   2HB   ASP  29          1HB       ASP  29 -12.333  -9.741  -1.485
  175    H    GLY  30           H        GLY  30 -10.502 -11.666  -3.470
  176   1HA   GLY  30          2HA       GLY  30 -10.930 -12.373  -5.659
  177   2HA   GLY  30          1HA       GLY  30 -12.437 -13.110  -5.116
  178    H    GLU  31           H        GLU  31 -12.588 -10.082  -3.851
  179    HA   GLU  31           HA       GLU  31 -14.338  -9.152  -6.021
  180   1HB   GLU  31          2HB       GLU  31 -13.713  -8.175  -3.230
  181   2HB   GLU  31          1HB       GLU  31 -14.796  -7.305  -4.300
  182   1HG   GLU  31          2HG       GLU  31 -15.388 -10.196  -4.098
  183   2HG   GLU  31          1HG       GLU  31 -15.463  -9.346  -2.548
  184    H    THR  32           H        THR  32 -14.118  -6.509  -6.146
  185    HA   THR  32           HA       THR  32 -11.255  -5.765  -6.317
  186    HB   THR  32           HB       THR  32 -12.807  -4.972  -8.733
  187    HG1  THR  32           1HG      THR  32 -12.051  -7.710  -8.451
  188   1HG2  THR  32          1HG2      THR  32 -10.095  -5.415  -7.909
  189   2HG2  THR  32          2HG2      THR  32 -10.732  -4.707  -9.401
  190   3HG2  THR  32          3HG2      THR  32 -10.454  -6.440  -9.303
  191    H    VAL  33           H        VAL  33 -11.230  -3.355  -7.242
  192    HA   VAL  33           HA       VAL  33 -13.177  -1.873  -5.519
  193    HB   VAL  33           HB       VAL  33 -11.541  -0.007  -5.737
  194   1HG1  VAL  33          1HG1      VAL  33  -9.864  -0.948  -4.364
  195   2HG1  VAL  33          2HG1      VAL  33 -10.219  -2.592  -4.904
  196   3HG1  VAL  33          3HG1      VAL  33 -11.384  -1.705  -3.912
  197   1HG2  VAL  33          1HG2      VAL  33  -9.890  -0.033  -7.263
  198   2HG2  VAL  33          2HG2      VAL  33 -10.650  -1.433  -8.003
  199   3HG2  VAL  33          3HG2      VAL  33  -9.383  -1.649  -6.811
  200    H    GLY  34           H        GLY  34 -12.035   0.444  -7.547
  201   1HA   GLY  34          2HA       GLY  34 -14.358   1.064  -8.822
  202   2HA   GLY  34          1HA       GLY  34 -12.777   1.416  -9.518
  203    H    SER  35           H        SER  35 -11.824  -1.104 -10.098
  204    HA   SER  35           HA       SER  35 -13.451  -3.019 -11.239
  205   1HB   SER  35          2HB       SER  35 -13.441  -0.495 -12.855
  206   2HB   SER  35          1HB       SER  35 -13.274  -2.003 -13.748
  207    HG   SER  35           HG       SER  35 -15.463  -1.027 -12.419
  208    H    ASN  36           H        ASN  36 -10.673  -0.930 -11.833
  209    HA   ASN  36           HA       ASN  36  -9.266  -2.885 -13.477
  210   1HB   ASN  36          2HB       ASN  36  -7.817  -0.702 -11.989
  211   2HB   ASN  36          1HB       ASN  36  -7.597  -1.286 -13.645
  212   1HD2  ASN  36          1HD2      ASN  36 -10.422  -1.132 -14.416
  213   2HD2  ASN  36          2HD2      ASN  36 -10.800   0.544 -14.456
  214    H    SER  37           H        SER  37  -9.840  -2.598 -10.098
  215    HA   SER  37           HA       SER  37  -9.040  -3.875  -8.346
  216   1HB   SER  37          2HB       SER  37  -8.245  -5.999  -8.854
  217   2HB   SER  37          1HB       SER  37  -8.767  -5.582 -10.493
  218    HG   SER  37           HG       SER  37  -6.558  -6.327 -10.298
  219    H    TYR  38           H        TYR  38  -7.671  -2.934  -6.940
  220    HA   TYR  38           HA       TYR  38  -5.215  -1.723  -8.014
  221   1HB   TYR  38          2HB       TYR  38  -7.101  -0.854  -6.146
  222   2HB   TYR  38          1HB       TYR  38  -5.636  -1.158  -5.199
  223    HD1  TYR  38           1HD      TYR  38  -3.428  -0.581  -6.904
  224    HD2  TYR  38           2HD      TYR  38  -7.206   1.389  -6.691
  225    HE1  TYR  38           1HE      TYR  38  -2.423   1.453  -7.835
  226    HE2  TYR  38           2HE      TYR  38  -6.141   3.462  -7.605
  227    HH   TYR  38           HH       TYR  38  -3.680   3.751  -9.204
  228    HA   PRO  39           HA       PRO  39  -3.504  -4.616  -4.559
  229   1HB   PRO  39          2HB       PRO  39  -4.685  -7.064  -4.426
  230   2HB   PRO  39          1HB       PRO  39  -5.162  -5.678  -3.450
  231   1HG   PRO  39          2HG       PRO  39  -6.550  -6.866  -5.819
  232   2HG   PRO  39          1HG       PRO  39  -7.239  -5.996  -4.438
  233   1HD   PRO  39          2HD       PRO  39  -6.762  -4.959  -6.997
  234   2HD   PRO  39          1HD       PRO  39  -7.149  -4.018  -5.534
  235    H    HIS  40           H        HIS  40  -1.686  -4.833  -5.939
  236    HA   HIS  40           HA       HIS  40  -1.628  -7.386  -7.508
  237   1HB   HIS  40          2HB       HIS  40   0.250  -5.549  -8.699
  238   2HB   HIS  40          1HB       HIS  40  -1.138  -6.346  -9.416
  239    HD1  HIS  40           1HD      HIS  40  -3.512  -5.173  -8.847
  240    HD2  HIS  40           2HD      HIS  40  -0.098  -2.795  -8.591
  241    HE1  HIS  40           1HE      HIS  40  -4.250  -2.803  -9.095
  242    HE2  HIS  40           2HE      HIS  40  -2.212  -1.370  -9.114
  243    H    LYS  41           H        LYS  41   0.150  -8.641  -7.173
  244    HA   LYS  41           HA       LYS  41   1.691  -8.351  -4.884
  245   1HB   LYS  41          2HB       LYS  41   2.726 -10.257  -5.501
  246   2HB   LYS  41          1HB       LYS  41   1.461 -10.325  -6.729
  247   1HG   LYS  41          2HG       LYS  41   2.961  -9.205  -8.345
  248   2HG   LYS  41          1HG       LYS  41   4.240  -9.147  -7.127
  249   1HD   LYS  41          2HD       LYS  41   3.162 -11.516  -8.593
  250   2HD   LYS  41          1HD       LYS  41   4.838 -11.029  -8.313
  251   1HE   LYS  41          2HE       LYS  41   4.545 -11.567  -5.889
  252   2HE   LYS  41          1HE       LYS  41   2.919 -12.169  -6.255
  253   1HZ   LYS  41          1HZ       LYS  41   4.508 -13.962  -6.208
  254   2HZ   LYS  41          2HZ       LYS  41   5.425 -13.235  -7.428
  255   3HZ   LYS  41          3HZ       LYS  41   3.856 -13.786  -7.759
  256    H    TYR  42           H        TYR  42   3.734  -7.471  -4.406
  257    HA   TYR  42           HA       TYR  42   4.870  -5.695  -6.505
  258   1HB   TYR  42          2HB       TYR  42   4.015  -4.390  -4.619
  259   2HB   TYR  42          1HB       TYR  42   4.894  -5.416  -3.477
  260    HD1  TYR  42           1HD      TYR  42   6.320  -4.431  -6.743
  261    HD2  TYR  42           2HD      TYR  42   6.202  -3.600  -2.535
  262    HE1  TYR  42           1HE      TYR  42   8.305  -3.005  -6.975
  263    HE2  TYR  42           2HE      TYR  42   8.180  -2.135  -2.766
  264    HH   TYR  42           HH       TYR  42  10.053  -1.736  -4.243
  265    H    ASN  43           H        ASN  43   6.494  -7.000  -7.334
  266    HA   ASN  43           HA       ASN  43   8.041  -8.815  -5.663
  267   1HB   ASN  43          2HB       ASN  43   9.537  -8.885  -7.833
  268   2HB   ASN  43          1HB       ASN  43   7.897  -9.527  -7.883
  269   1HD2  ASN  43          1HD2      ASN  43   8.964  -6.092  -8.000
  270   2HD2  ASN  43          2HD2      ASN  43   8.214  -5.805  -9.509
  271    H    ASN  44           H        ASN  44   8.205  -5.753  -5.095
  272    HA   ASN  44           HA       ASN  44   9.819  -4.296  -4.351
  273   1HB   ASN  44          2HB       ASN  44  11.857  -6.504  -4.481
  274   2HB   ASN  44          1HB       ASN  44  11.658  -5.222  -3.282
  275   1HD2  ASN  44          1HD2      ASN  44  11.799  -8.113  -2.754
  276   2HD2  ASN  44          2HD2      ASN  44  10.297  -8.512  -2.001
  277    H    TYR  45           H        TYR  45  11.484  -2.948  -5.224
  278    HA   TYR  45           HA       TYR  45  13.150  -3.722  -7.417
  279   1HB   TYR  45          2HB       TYR  45  10.421  -2.980  -8.116
  280   2HB   TYR  45          1HB       TYR  45  11.532  -1.773  -8.765
  281    HD1  TYR  45           1HD      TYR  45  10.339  -5.159  -9.063
  282    HD2  TYR  45           2HD      TYR  45  13.459  -2.474 -10.199
  283    HE1  TYR  45           1HE      TYR  45  10.987  -6.722 -10.865
  284    HE2  TYR  45           2HE      TYR  45  14.119  -4.016 -12.026
  285    HH   TYR  45           HH       TYR  45  12.400  -6.180 -13.345
  286    H    GLU  46           H        GLU  46  11.281  -0.835  -6.410
  287    HA   GLU  46           HA       GLU  46  12.978   1.194  -6.973
  288   1HB   GLU  46          2HB       GLU  46  10.833   0.852  -5.256
  289   2HB   GLU  46          1HB       GLU  46  12.124   1.257  -4.146
  290   1HG   GLU  46          2HG       GLU  46  11.955   2.907  -6.622
  291   2HG   GLU  46          1HG       GLU  46  10.653   3.082  -5.443
  292    H    GLY  47           H        GLY  47  13.298  -0.712  -3.951
  293   1HA   GLY  47          2HA       GLY  47  15.755  -1.486  -3.648
  294   2HA   GLY  47          1HA       GLY  47  16.151   0.228  -3.769
  295    H    PHE  48           H        PHE  48  13.587  -1.601  -2.044
  296    HA   PHE  48           HA       PHE  48  14.081   0.107   0.342
  297   1HB   PHE  48          2HB       PHE  48  12.013  -2.096  -0.043
  298   2HB   PHE  48          1HB       PHE  48  12.011  -0.818   1.185
  299    HD1  PHE  48           1HD      PHE  48  13.007   1.421  -0.724
  300    HD2  PHE  48           2HD      PHE  48   9.875  -1.496  -1.028
  301    HE1  PHE  48           1HE      PHE  48  11.763   2.899  -2.237
  302    HE2  PHE  48           2HE      PHE  48   8.619   0.000  -2.514
  303    HZ   PHE  48           HZ       PHE  48   9.566   2.195  -3.150
  304    H    ASP  49           H        ASP  49  13.561  -1.573   2.430
  305    HA   ASP  49           HA       ASP  49  15.271  -3.954   2.110
  306   1HB   ASP  49          2HB       ASP  49  16.562  -1.674   2.790
  307   2HB   ASP  49          1HB       ASP  49  16.035  -2.154   4.403
  308    H    PHE  50           H        PHE  50  12.564  -3.892   2.655
  309    HA   PHE  50           HA       PHE  50  12.270  -4.222   5.594
  310   1HB   PHE  50          2HB       PHE  50   9.826  -4.899   4.799
  311   2HB   PHE  50          1HB       PHE  50  10.345  -3.213   4.789
  312    HD1  PHE  50           1HD      PHE  50  11.056  -6.058   2.434
  313    HD2  PHE  50           2HD      PHE  50   9.382  -2.144   2.967
  314    HE1  PHE  50           1HE      PHE  50  10.609  -5.934   0.019
  315    HE2  PHE  50           2HE      PHE  50   8.902  -2.028   0.554
  316    HZ   PHE  50           HZ       PHE  50   9.532  -3.913  -0.936
  317    H    SER  51           H        SER  51  10.770  -6.304   6.089
  318    HA   SER  51           HA       SER  51  11.604  -8.652   4.497
  319   1HB   SER  51          2HB       SER  51  12.287  -8.615   7.455
  320   2HB   SER  51          1HB       SER  51  12.865  -9.712   6.193
  321    HG   SER  51           HG       SER  51  14.406  -8.083   6.803
  322    H    VAL  52           H        VAL  52   9.071  -7.915   4.608
  323    HA   VAL  52           HA       VAL  52   7.747  -9.243   6.917
  324    HB   VAL  52           HB       VAL  52   6.746  -7.530   4.639
  325   1HG1  VAL  52          1HG1      VAL  52   4.490  -7.787   5.747
  326   2HG1  VAL  52          2HG1      VAL  52   5.174  -9.117   6.679
  327   3HG1  VAL  52          3HG1      VAL  52   5.059  -9.230   4.932
  328   1HG2  VAL  52          1HG2      VAL  52   7.353  -6.018   6.234
  329   2HG2  VAL  52          2HG2      VAL  52   7.302  -7.196   7.533
  330   3HG2  VAL  52          3HG2      VAL  52   5.819  -6.476   6.953
  331    H    SER  53           H        SER  53   8.421  -9.731   3.489
  332    HA   SER  53           HA       SER  53   8.024 -12.482   3.504
  333   1HB   SER  53          2HB       SER  53   5.727 -12.351   4.087
  334   2HB   SER  53          1HB       SER  53   5.518 -10.921   3.087
  335    HG   SER  53           HG       SER  53   5.366 -13.563   2.400
  336    H    SER  54           H        SER  54   7.854 -13.384   1.243
  337    HA   SER  54           HA       SER  54   9.315 -11.679  -0.610
  338   1HB   SER  54          2HB       SER  54   8.254 -14.029  -1.950
  339   2HB   SER  54          1HB       SER  54   9.890 -13.642  -1.471
  340    HG   SER  54           HG       SER  54   9.249 -15.497  -0.396
  341    HA   PRO  55           HA       PRO  55   5.343 -11.918  -3.274
  342   1HB   PRO  55          2HB       PRO  55   3.137 -13.107  -2.166
  343   2HB   PRO  55          1HB       PRO  55   4.357 -13.965  -3.100
  344   1HG   PRO  55          2HG       PRO  55   3.975 -13.907  -0.120
  345   2HG   PRO  55          1HG       PRO  55   4.537 -15.236  -1.151
  346   1HD   PRO  55          2HD       PRO  55   6.188 -13.640   0.362
  347   2HD   PRO  55          1HD       PRO  55   6.682 -14.566  -1.033
  348    H    TYR  56           H        TYR  56   5.623  -9.685  -2.556
  349    HA   TYR  56           HA       TYR  56   3.992  -8.680  -0.356
  350   1HB   TYR  56          2HB       TYR  56   5.714  -7.441  -2.477
  351   2HB   TYR  56          1HB       TYR  56   4.735  -6.416  -1.496
  352    HD1  TYR  56           1HD      TYR  56   7.834  -8.016  -1.759
  353    HD2  TYR  56           2HD      TYR  56   4.904  -6.827   1.118
  354    HE1  TYR  56           1HE      TYR  56   9.565  -8.040   0.017
  355    HE2  TYR  56           2HE      TYR  56   6.613  -6.890   2.889
  356    HH   TYR  56           HH       TYR  56   8.993  -6.763   3.198
  357    H    TYR  57           H        TYR  57   2.809  -6.422  -1.242
  358    HA   TYR  57           HA       TYR  57   1.298  -6.805  -3.689
  359   1HB   TYR  57          2HB       TYR  57   0.031  -7.181  -0.961
  360   2HB   TYR  57          1HB       TYR  57  -0.936  -6.790  -2.396
  361    HD1  TYR  57           1HD      TYR  57   0.923  -9.374  -0.622
  362    HD2  TYR  57           2HD      TYR  57  -0.960  -8.348  -4.344
  363    HE1  TYR  57           1HE      TYR  57   0.939 -11.764  -1.288
  364    HE2  TYR  57           2HE      TYR  57  -0.948 -10.737  -5.011
  365    HH   TYR  57           HH       TYR  57  -0.795 -13.161  -3.254
  366    H    GLU  58           H        GLU  58   0.126  -4.849  -4.229
  367    HA   GLU  58           HA       GLU  58   0.841  -2.548  -2.436
  368   1HB   GLU  58          2HB       GLU  58   0.979  -1.185  -4.513
  369   2HB   GLU  58          1HB       GLU  58   2.182  -2.462  -4.435
  370   1HG   GLU  58          2HG       GLU  58  -0.196  -3.519  -5.696
  371   2HG   GLU  58          1HG       GLU  58   0.217  -1.992  -6.445
  372    H    TRP  59           H        TRP  59  -0.702  -1.073  -2.001
  373    HA   TRP  59           HA       TRP  59  -3.231  -0.980  -3.476
  374   1HB   TRP  59          2HB       TRP  59  -3.951  -2.711  -2.049
  375   2HB   TRP  59          1HB       TRP  59  -2.970  -2.142  -0.695
  376    HD1  TRP  59           HD       TRP  59  -3.866   0.000   0.642
  377    HE1  TRP  59           1HE      TRP  59  -6.265   0.841   1.035
  378    HE3  TRP  59           3HE      TRP  59  -6.295  -2.517  -3.092
  379    HZ2  TRP  59           2HZ      TRP  59  -8.860   0.484  -0.105
  380    HZ3  TRP  59           3HZ      TRP  59  -8.716  -2.263  -3.379
  381    HH2  TRP  59           HH       TRP  59 -10.017  -0.773  -1.944
  382    HA   PRO  60           HA       PRO  60  -2.622   3.218  -2.216
  383   1HB   PRO  60          2HB       PRO  60  -5.204   4.150  -2.422
  384   2HB   PRO  60          1HB       PRO  60  -4.133   3.853  -3.790
  385   1HG   PRO  60          2HG       PRO  60  -6.354   2.133  -2.752
  386   2HG   PRO  60          1HG       PRO  60  -5.873   2.408  -4.428
  387   1HD   PRO  60          2HD       PRO  60  -5.251   0.168  -3.003
  388   2HD   PRO  60          1HD       PRO  60  -4.280   0.741  -4.319
  389    H    ILE  61           H        ILE  61  -2.407   4.120  -0.270
  390    HA   ILE  61           HA       ILE  61  -4.059   3.106   1.986
  391    HB   ILE  61           HB       ILE  61  -1.788   2.933   2.551
  392   1HG1  ILE  61          2HG1      ILE  61  -1.419   4.518   4.331
  393   2HG1  ILE  61          1HG1      ILE  61  -2.473   5.720   3.593
  394   1HG2  ILE  61          1HG2      ILE  61  -0.275   5.051   2.203
  395   2HG2  ILE  61          2HG2      ILE  61  -1.519   5.501   1.041
  396   3HG2  ILE  61          3HG2      ILE  61  -0.671   3.997   0.884
  397   1HD1  ILE  61          1HD1      ILE  61  -4.042   3.422   3.855
  398   2HD1  ILE  61          2HD1      ILE  61  -4.126   4.857   4.820
  399   3HD1  ILE  61          3HD1      ILE  61  -3.131   3.524   5.320
  400    H    LEU  62           H        LEU  62  -5.565   4.444   2.966
  401    HA   LEU  62           HA       LEU  62  -5.491   7.359   2.256
  402   1HB   LEU  62          2HB       LEU  62  -8.086   5.996   2.909
  403   2HB   LEU  62          1HB       LEU  62  -7.749   7.349   1.817
  404    HG   LEU  62           HG       LEU  62  -7.168   4.412   1.303
  405   1HD1  LEU  62          1HD1      LEU  62  -8.929   6.431  -0.113
  406   2HD1  LEU  62          2HD1      LEU  62  -9.490   5.123   0.926
  407   3HD1  LEU  62          3HD1      LEU  62  -8.682   4.750  -0.592
  408   1HD2  LEU  62          1HD2      LEU  62  -5.828   6.799   0.263
  409   2HD2  LEU  62          2HD2      LEU  62  -6.682   5.951  -0.997
  410   3HD2  LEU  62          3HD2      LEU  62  -5.512   5.095  -0.048
  411    H    SER  63           H        SER  63  -6.648   8.720   3.902
  412    HA   SER  63           HA       SER  63  -6.308   7.547   6.651
  413   1HB   SER  63          2HB       SER  63  -4.602   9.147   6.311
  414   2HB   SER  63          1HB       SER  63  -5.708  10.349   5.629
  415    HG   SER  63           HG       SER  63  -5.411  10.874   7.773
  416    H    SER  64           H        SER  64  -8.744   7.465   5.087
  417    HA   SER  64           HA       SER  64 -10.438   9.218   6.825
  418   1HB   SER  64          2HB       SER  64 -10.110   9.414   3.984
  419   2HB   SER  64          1HB       SER  64 -11.735   8.799   4.283
  420    HG   SER  64           HG       SER  64 -12.205  10.585   5.458
  421    H    GLY  65           H        GLY  65 -12.905   8.353   6.199
  422   1HA   GLY  65          2HA       GLY  65 -12.808   5.490   7.036
  423   2HA   GLY  65          1HA       GLY  65 -14.191   6.574   7.153
  424    H    ASP  66           H        ASP  66 -12.095   5.714   4.370
  425    HA   ASP  66           HA       ASP  66 -14.402   4.390   3.090
  426   1HB   ASP  66          2HB       ASP  66 -14.215   7.040   2.613
  427   2HB   ASP  66          1HB       ASP  66 -13.041   6.493   1.412
  428    H    VAL  67           H        VAL  67 -13.762   2.977   1.415
  429    HA   VAL  67           HA       VAL  67 -10.857   2.328   1.448
  430    HB   VAL  67           HB       VAL  67 -13.227   0.867   0.223
  431   1HG1  VAL  67          1HG1      VAL  67 -11.640  -1.002   0.008
  432   2HG1  VAL  67          2HG1      VAL  67 -10.365   0.010   0.654
  433   3HG1  VAL  67          3HG1      VAL  67 -11.084   0.382  -0.911
  434   1HG2  VAL  67          1HG2      VAL  67 -11.635   0.382   2.766
  435   2HG2  VAL  67          2HG2      VAL  67 -12.892  -0.680   2.126
  436   3HG2  VAL  67          3HG2      VAL  67 -13.308   0.939   2.678
  437    H    TYR  68           H        TYR  68  -9.655   2.162  -0.545
  438    HA   TYR  68           HA       TYR  68 -10.137   4.233  -2.406
  439   1HB   TYR  68          2HB       TYR  68  -7.926   3.081  -2.021
  440   2HB   TYR  68          1HB       TYR  68  -8.510   1.714  -2.987
  441    HD1  TYR  68           1HD      TYR  68  -7.401   5.205  -3.040
  442    HD2  TYR  68           2HD      TYR  68  -9.011   1.987  -5.381
  443    HE1  TYR  68           1HE      TYR  68  -6.846   6.429  -5.107
  444    HE2  TYR  68           2HE      TYR  68  -8.442   3.212  -7.461
  445    HH   TYR  68           HH       TYR  68  -8.079   5.839  -8.050
  446    H    SER  69           H        SER  69 -11.385   4.319  -4.218
  447    HA   SER  69           HA       SER  69 -12.206   1.862  -5.623
  448   1HB   SER  69          2HB       SER  69 -13.824   2.371  -3.618
  449   2HB   SER  69          1HB       SER  69 -14.437   3.658  -4.661
  450    HG   SER  69           HG       SER  69 -15.086   2.161  -6.129
  451    H    GLY  70           H        GLY  70 -10.825   4.600  -6.023
  452   1HA   GLY  70          2HA       GLY  70 -10.697   5.402  -8.358
  453   2HA   GLY  70          1HA       GLY  70 -12.455   5.423  -8.404
  454    H    GLY  71           H        GLY  71  -9.617   7.059  -7.205
  455   1HA   GLY  71          2HA       GLY  71 -11.105   9.579  -7.022
  456   2HA   GLY  71          1HA       GLY  71 -10.585   8.964  -5.449
  457    H    SER  72           H        SER  72  -8.097   7.819  -6.260
  458    HA   SER  72           HA       SER  72  -6.563   9.924  -7.598
  459   1HB   SER  72          2HB       SER  72  -5.252  10.602  -5.757
  460   2HB   SER  72          1HB       SER  72  -6.909  10.614  -5.142
  461    HG   SER  72           HG       SER  72  -6.526   8.762  -4.037
  462    HA   PRO  73           HA       PRO  73  -4.713   5.802  -8.197
  463   1HB   PRO  73          2HB       PRO  73  -3.653   6.401 -10.661
  464   2HB   PRO  73          1HB       PRO  73  -5.313   5.868 -10.398
  465   1HG   PRO  73          2HG       PRO  73  -4.301   8.623 -10.996
  466   2HG   PRO  73          1HG       PRO  73  -5.864   7.894 -11.402
  467   1HD   PRO  73          2HD       PRO  73  -5.381   9.690  -9.282
  468   2HD   PRO  73          1HD       PRO  73  -6.826   8.677  -9.465
  469    H    GLY  74           H        GLY  74  -2.905   5.579  -6.953
  470   1HA   GLY  74          2HA       GLY  74  -0.466   5.660  -6.965
  471   2HA   GLY  74          1HA       GLY  74  -0.512   7.283  -7.609
  472    H    ALA  75           H        ALA  75   0.009   8.764  -6.055
  473    HA   ALA  75           HA       ALA  75   0.253   9.722  -3.944
  474   1HB   ALA  75          1HB       ALA  75  -2.227   9.910  -4.384
  475   2HB   ALA  75          2HB       ALA  75  -1.783   9.916  -2.682
  476   3HB   ALA  75          3HB       ALA  75  -2.456   8.459  -3.412
  477    H    ASP  76           H        ASP  76  -0.295   9.043  -1.426
  478    HA   ASP  76           HA       ASP  76   1.571   7.286  -0.544
  479   1HB   ASP  76          2HB       ASP  76  -1.219   7.523   0.643
  480   2HB   ASP  76          1HB       ASP  76   0.228   6.958   1.492
  481    H    ARG  77           H        ARG  77   1.816   5.080  -0.224
  482    HA   ARG  77           HA       ARG  77  -0.391   3.224  -0.859
  483   1HB   ARG  77          2HB       ARG  77   0.923   3.947  -3.024
  484   2HB   ARG  77          1HB       ARG  77   2.180   2.864  -2.418
  485   1HG   ARG  77          2HG       ARG  77   0.615   1.004  -2.356
  486   2HG   ARG  77          1HG       ARG  77  -0.708   2.083  -2.823
  487   1HD   ARG  77          2HD       ARG  77   1.362   2.445  -4.742
  488   2HD   ARG  77          1HD       ARG  77   1.145   0.713  -4.516
  489    HE   ARG  77           HE       ARG  77  -1.168   1.009  -4.829
  490   1HH1  ARG  77          1HH2      ARG  77   0.067   0.037  -6.907
  491   2HH1  ARG  77          2HH2      ARG  77  -0.113   1.078  -8.274
  492   1HH2  ARG  77          1HH1      ARG  77  -1.085   3.822  -6.381
  493   2HH2  ARG  77          2HH1      ARG  77  -0.747   3.240  -7.976
  494    H    VAL  78           H        VAL  78  -0.126   1.386   0.407
  495    HA   VAL  78           HA       VAL  78   2.554   1.063   1.725
  496    HB   VAL  78           HB       VAL  78   0.813   1.832   3.289
  497   1HG1  VAL  78          1HG1      VAL  78  -1.132   0.519   3.745
  498   2HG1  VAL  78          2HG1      VAL  78  -0.612  -0.785   2.697
  499   3HG1  VAL  78          3HG1      VAL  78  -1.110   0.758   2.009
  500   1HG2  VAL  78          1HG2      VAL  78   1.528  -1.088   3.743
  501   2HG2  VAL  78          2HG2      VAL  78   1.161   0.124   4.966
  502   3HG2  VAL  78          3HG2      VAL  78   2.614   0.272   3.999
  503    H    VAL  79           H        VAL  79   3.533  -0.871   1.447
  504    HA   VAL  79           HA       VAL  79   2.079  -2.973  -0.027
  505    HB   VAL  79           HB       VAL  79   4.979  -2.500   0.665
  506   1HG1  VAL  79          1HG1      VAL  79   5.526  -4.661  -0.354
  507   2HG1  VAL  79          2HG1      VAL  79   3.821  -5.012  -0.541
  508   3HG1  VAL  79          3HG1      VAL  79   4.517  -4.912   1.038
  509   1HG2  VAL  79          1HG2      VAL  79   5.229  -2.097  -1.556
  510   2HG2  VAL  79          2HG2      VAL  79   3.527  -1.688  -1.462
  511   3HG2  VAL  79          3HG2      VAL  79   4.016  -3.277  -2.049
  512    H    PHE  80           H        PHE  80   2.285  -5.206   0.664
  513    HA   PHE  80           HA       PHE  80   2.839  -5.732   3.478
  514   1HB   PHE  80          2HB       PHE  80   0.520  -6.421   3.982
  515   2HB   PHE  80          1HB       PHE  80   0.610  -4.722   3.545
  516    HD1  PHE  80           1HD      PHE  80  -0.777  -7.941   2.705
  517    HD2  PHE  80           2HD      PHE  80  -0.012  -3.990   1.205
  518    HE1  PHE  80           1HE      PHE  80  -2.470  -8.290   0.927
  519    HE2  PHE  80           2HE      PHE  80  -1.706  -4.336  -0.571
  520    HZ   PHE  80           HZ       PHE  80  -2.935  -6.486  -0.713
  521    H    ASN  81           H        ASN  81   1.563  -8.192   3.685
  522    HA   ASN  81           HA       ASN  81   2.659  -9.651   1.305
  523   1HB   ASN  81          2HB       ASN  81   3.495 -11.352   2.741
  524   2HB   ASN  81          1HB       ASN  81   4.038  -9.811   3.413
  525   1HD2  ASN  81          1HD2      ASN  81   2.412  -8.904   5.162
  526   2HD2  ASN  81          2HD2      ASN  81   1.731 -10.089   6.201
  527    H    GLU  82           H        GLU  82   0.291  -9.835   3.943
  528    HA   GLU  82           HA       GLU  82  -1.919 -10.558   2.561
  529   1HB   GLU  82          2HB       GLU  82  -1.906 -13.144   2.789
  530   2HB   GLU  82          1HB       GLU  82  -0.979 -12.452   1.465
  531   1HG   GLU  82          2HG       GLU  82   0.923 -12.500   3.426
  532   2HG   GLU  82          1HG       GLU  82  -0.073 -13.833   3.920
  533    H    ASN  83           H        ASN  83   0.053 -11.016   5.366
  534    HA   ASN  83           HA       ASN  83  -2.247 -11.812   7.027
  535   1HB   ASN  83          2HB       ASN  83   0.701 -11.891   7.270
  536   2HB   ASN  83          1HB       ASN  83  -0.080 -11.301   8.736
  537   1HD2  ASN  83          1HD2      ASN  83   0.580 -13.336   9.768
  538   2HD2  ASN  83          2HD2      ASN  83  -0.345 -14.762   9.462
  539    H    ASN  84           H        ASN  84  -1.810  -9.130   5.583
  540    HA   ASN  84           HA       ASN  84  -2.301  -6.953   5.983
  541   1HB   ASN  84          2HB       ASN  84  -3.044  -7.214   8.831
  542   2HB   ASN  84          1HB       ASN  84  -3.980  -6.600   7.464
  543   1HD2  ASN  84          1HD2      ASN  84  -4.683  -8.580   9.667
  544   2HD2  ASN  84          2HD2      ASN  84  -5.265  -9.953   8.794
  545    H    GLN  85           H        GLN  85   0.265  -8.475   7.209
  546    HA   GLN  85           HA       GLN  85   1.172  -6.806   9.331
  547   1HB   GLN  85          2HB       GLN  85   2.354  -8.776   7.467
  548   2HB   GLN  85          1HB       GLN  85   3.506  -7.597   8.020
  549   1HG   GLN  85          2HG       GLN  85   2.961  -8.088  10.337
  550   2HG   GLN  85          1HG       GLN  85   1.729  -9.251   9.818
  551   1HE2  GLN  85          1HE2      GLN  85   4.139  -9.858  11.406
  552   2HE2  GLN  85          2HE2      GLN  85   5.043 -10.980  10.452
  553    H    LEU  86           H        LEU  86   3.679  -5.743   8.263
  554    HA   LEU  86           HA       LEU  86   2.676  -3.888   6.188
  555   1HB   LEU  86          2HB       LEU  86   2.827  -3.166   8.877
  556   2HB   LEU  86          1HB       LEU  86   4.371  -2.592   8.249
  557    HG   LEU  86           HG       LEU  86   2.737  -0.813   7.993
  558   1HD1  LEU  86          1HD1      LEU  86   3.197  -0.298   5.807
  559   2HD1  LEU  86          2HD1      LEU  86   2.952  -1.945   5.207
  560   3HD1  LEU  86          3HD1      LEU  86   4.415  -1.512   6.086
  561   1HD2  LEU  86          1HD2      LEU  86   0.687  -1.110   6.766
  562   2HD2  LEU  86          2HD2      LEU  86   0.743  -2.356   8.010
  563   3HD2  LEU  86          3HD2      LEU  86   1.113  -2.758   6.338
  564    H    ALA  87           H        ALA  87   4.024  -3.937   4.528
  565    HA   ALA  87           HA       ALA  87   6.805  -4.849   4.875
  566   1HB   ALA  87          1HB       ALA  87   5.290  -5.438   2.914
  567   2HB   ALA  87          2HB       ALA  87   6.917  -4.843   2.501
  568   3HB   ALA  87          3HB       ALA  87   5.530  -3.783   2.380
  569    H    GLY  88           H        GLY  88   5.061  -1.910   3.909
  570   1HA   GLY  88          2HA       GLY  88   6.784  -0.071   5.135
  571   2HA   GLY  88          1HA       GLY  88   7.446  -0.316   3.517
  572    H    VAL  89           H        VAL  89   6.419   2.202   4.273
  573    HA   VAL  89           HA       VAL  89   3.848   2.299   2.717
  574    HB   VAL  89           HB       VAL  89   4.872   4.136   4.864
  575   1HG1  VAL  89          1HG1      VAL  89   2.487   4.320   3.025
  576   2HG1  VAL  89          2HG1      VAL  89   3.769   5.514   3.251
  577   3HG1  VAL  89          3HG1      VAL  89   2.601   5.230   4.530
  578   1HG2  VAL  89          1HG2      VAL  89   3.893   2.044   5.716
  579   2HG2  VAL  89          2HG2      VAL  89   2.493   2.296   4.697
  580   3HG2  VAL  89          3HG2      VAL  89   2.782   3.376   6.018
  581    H    ILE  90           H        ILE  90   4.628   2.678   0.697
  582    HA   ILE  90           HA       ILE  90   6.747   4.679   0.247
  583    HB   ILE  90           HB       ILE  90   6.326   4.013  -2.215
  584   1HG1  ILE  90          2HG1      ILE  90   4.005   2.945  -1.299
  585   2HG1  ILE  90          1HG1      ILE  90   4.797   2.339  -2.701
  586   1HG2  ILE  90          1HG2      ILE  90   8.233   3.120  -1.258
  587   2HG2  ILE  90          2HG2      ILE  90   7.406   1.703  -1.748
  588   3HG2  ILE  90          3HG2      ILE  90   7.378   2.198  -0.061
  589   1HD1  ILE  90          1HD1      ILE  90   5.520   1.176  -0.023
  590   2HD1  ILE  90          2HD1      ILE  90   5.674   0.484  -1.632
  591   3HD1  ILE  90          3HD1      ILE  90   4.092   0.666  -0.903
  592    H    THR  91           H        THR  91   6.046   6.019  -2.010
  593    HA   THR  91           HA       THR  91   3.300   7.052  -1.690
  594    HB   THR  91           HB       THR  91   4.919   8.328  -0.171
  595    HG1  THR  91           1HG      THR  91   3.028   9.346  -0.597
  596   1HG2  THR  91          1HG2      THR  91   6.694   8.351  -2.083
  597   2HG2  THR  91          2HG2      THR  91   6.496   9.771  -1.070
  598   3HG2  THR  91          3HG2      THR  91   5.760   9.740  -2.654
  599    H    HIS  92           H        HIS  92   2.487   7.224  -3.687
  600    HA   HIS  92           HA       HIS  92   4.186   7.215  -6.033
  601   1HB   HIS  92          2HB       HIS  92   1.366   6.902  -5.422
  602   2HB   HIS  92          1HB       HIS  92   1.604   7.678  -6.956
  603    HD1  HIS  92           1HD      HIS  92   4.004   6.160  -7.987
  604    HD2  HIS  92           2HD      HIS  92   0.914   4.307  -5.994
  605    HE1  HIS  92           1HE      HIS  92   4.069   3.771  -8.733
  606    HE2  HIS  92           2HE      HIS  92   2.343   2.583  -7.305
  607    H    THR  93           H        THR  93   5.302   9.291  -5.551
  608    HA   THR  93           HA       THR  93   4.316  11.452  -7.084
  609    HB   THR  93           HB       THR  93   2.750  11.368  -4.850
  610    HG1  THR  93           1HG      THR  93   3.726  13.743  -6.084
  611   1HG2  THR  93          1HG2      THR  93   3.491  12.831  -3.170
  612   2HG2  THR  93          2HG2      THR  93   4.919  13.306  -4.071
  613   3HG2  THR  93          3HG2      THR  93   4.796  11.675  -3.391
  614    H    GLY  94           H        GLY  94   6.374  10.382  -4.444
  615   1HA   GLY  94          2HA       GLY  94   8.084  12.599  -4.207
  616   2HA   GLY  94          1HA       GLY  94   8.574  10.927  -3.934
  617    H    ALA  95           H        ALA  95   7.644  10.470  -6.909
  618    HA   ALA  95           HA       ALA  95  10.130  11.580  -8.154
  619   1HB   ALA  95          1HB       ALA  95   9.314   9.257  -9.540
  620   2HB   ALA  95          2HB       ALA  95   9.298   8.870  -7.805
  621   3HB   ALA  95          3HB       ALA  95  10.738   9.491  -8.556
  622    H    SER  96           H        SER  96   9.822  11.342 -10.695
  623    HA   SER  96           HA       SER  96   8.043  13.219 -11.624
  624   1HB   SER  96          2HB       SER  96   8.647  12.524 -13.720
  625   2HB   SER  96          1HB       SER  96   9.764  11.463 -12.858
  626    HG   SER  96           HG       SER  96   8.378   9.784 -13.111
  627    H    GLY  97           H        GLY  97   5.898  13.069 -12.686
  628   1HA   GLY  97          2HA       GLY  97   3.622  12.508 -12.435
  629   2HA   GLY  97          1HA       GLY  97   4.197  10.887 -12.830
  630    H    ASN  98           H        ASN  98   4.471   9.372 -11.144
  631    HA   ASN  98           HA       ASN  98   3.701  10.325  -8.415
  632   1HB   ASN  98          2HB       ASN  98   2.892   7.603  -8.712
  633   2HB   ASN  98          1HB       ASN  98   1.905   9.010  -8.421
  634   1HD2  ASN  98          1HD2      ASN  98   0.824   9.983 -10.200
  635   2HD2  ASN  98          2HD2      ASN  98   0.759   9.196 -11.736
  636    H    ASN  99           H        ASN  99   4.708   7.160  -9.755
  637    HA   ASN  99           HA       ASN  99   6.428   5.758  -9.115
  638   1HB   ASN  99          2HB       ASN  99   7.598   8.492  -8.916
  639   2HB   ASN  99          1HB       ASN  99   8.505   7.182  -8.144
  640   1HD2  ASN  99          1HD2      ASN  99   6.514   6.935 -11.106
  641   2HD2  ASN  99          2HD2      ASN  99   7.852   6.516 -12.095
  642    H    PHE 100           H        PHE 100   6.291   4.512  -7.302
  643    HA   PHE 100           HA       PHE 100   5.695   5.864  -4.745
  644   1HB   PHE 100          2HB       PHE 100   4.832   3.823  -3.955
  645   2HB   PHE 100          1HB       PHE 100   4.215   4.025  -5.574
  646    HD1  PHE 100           1HD      PHE 100   6.527   2.103  -3.491
  647    HD2  PHE 100           2HD      PHE 100   5.078   2.668  -7.442
  648    HE1  PHE 100           1HE      PHE 100   7.469  -0.059  -4.117
  649    HE2  PHE 100           2HE      PHE 100   6.036   0.506  -8.116
  650    HZ   PHE 100           HZ       PHE 100   7.235  -0.846  -6.460
  651    H    VAL 101           H        VAL 101   7.355   6.274  -3.409
  652    HA   VAL 101           HA       VAL 101   9.563   4.255  -3.232
  653    HB   VAL 101           HB       VAL 101  11.152   6.072  -2.957
  654   1HG1  VAL 101          1HG1      VAL 101  10.357   5.309  -5.301
  655   2HG1  VAL 101          2HG1      VAL 101  11.192   6.863  -5.199
  656   3HG1  VAL 101          3HG1      VAL 101   9.438   6.808  -5.339
  657   1HG2  VAL 101          1HG2      VAL 101  10.393   8.428  -3.267
  658   2HG2  VAL 101          2HG2      VAL 101   9.726   7.699  -1.819
  659   3HG2  VAL 101          3HG2      VAL 101   8.723   7.876  -3.258
  660    H    GLU 102           H        GLU 102  10.592   4.229  -1.085
  661    HA   GLU 102           HA       GLU 102   8.888   4.031   1.067
  662   1HB   GLU 102          2HB       GLU 102  10.858   4.347   2.542
  663   2HB   GLU 102          1HB       GLU 102  11.253   3.323   1.156
  664   1HG   GLU 102          2HG       GLU 102  12.504   4.951   0.096
  665   2HG   GLU 102          1HG       GLU 102  11.752   6.289   0.947
  666    H    CYS 103           H        CYS 103   7.959   5.459   2.546
  667    HA   CYS 103           HA       CYS 103   7.859   8.238   1.735
  668   1HB   CYS 103          2HB       CYS 103   6.367   6.496   3.561
  669   2HB   CYS 103          1HB       CYS 103   6.695   8.040   4.320
  670    H    THR 104           H        THR 104   8.048   9.932   3.707
  671    HA   THR 104           HA       THR 104  10.528   9.315   5.247
  672    HB   THR 104           HB       THR 104  11.092  11.840   4.717
  673    HG1  THR 104           1HG      THR 104   9.315  12.480   3.596
  674   1HG2  THR 104          1HG2      THR 104  12.437   9.923   3.967
  675   2HG2  THR 104          2HG2      THR 104  12.325  11.164   2.721
  676   3HG2  THR 104          3HG2      THR 104  11.352   9.701   2.591
  Start of MODEL    3
    1   1H    ALA   1          1HT       ALA   1   2.578  11.864  16.861
    2   2H    ALA   1          2HT       ALA   1   4.055  10.986  16.949
    3   3H    ALA   1          3HT       ALA   1   2.916  10.875  18.224
    4    HA   ALA   1           HA       ALA   1   2.873   8.911  16.862
    5   1HB   ALA   1          1HB       ALA   1   0.356  10.472  16.269
    6   2HB   ALA   1          2HB       ALA   1   0.785  10.031  17.920
    7   3HB   ALA   1          3HB       ALA   1   0.537   8.773  16.717
    8    H    CYS   2           H        CYS   2   1.073   8.650  14.691
    9    HA   CYS   2           HA       CYS   2   1.387   8.375  12.423
   10   1HB   CYS   2          2HB       CYS   2   1.104  10.532  11.208
   11   2HB   CYS   2          1HB       CYS   2  -0.063  10.338  12.512
   12    H    ASP   3           H        ASP   3   3.419   7.428  12.194
   13    HA   ASP   3           HA       ASP   3   5.745   9.270  11.875
   14   1HB   ASP   3          2HB       ASP   3   5.850   7.140  13.304
   15   2HB   ASP   3          1HB       ASP   3   5.778   6.228  11.793
   16    H    TYR   4           H        TYR   4   3.301   8.112   9.966
   17    HA   TYR   4           HA       TYR   4   5.079   7.676   7.613
   18   1HB   TYR   4          2HB       TYR   4   2.204   6.936   8.248
   19   2HB   TYR   4          1HB       TYR   4   2.799   6.932   6.580
   20    HD1  TYR   4           1HD      TYR   4   5.438   5.936   6.610
   21    HD2  TYR   4           2HD      TYR   4   2.120   4.746   9.061
   22    HE1  TYR   4           1HE      TYR   4   6.486   3.722   6.947
   23    HE2  TYR   4           2HE      TYR   4   3.161   2.519   9.391
   24    HH   TYR   4           HH       TYR   4   5.876   1.695   9.247
   25    H    THR   5           H        THR   5   5.529  10.006   7.581
   26    HA   THR   5           HA       THR   5   3.288  11.782   6.922
   27    HB   THR   5           HB       THR   5   6.265  12.369   6.799
   28    HG1  THR   5           1HG      THR   5   6.107  12.898   8.917
   29   1HG2  THR   5          1HG2      THR   5   5.418  14.698   7.209
   30   2HG2  THR   5          2HG2      THR   5   3.782  14.105   6.938
   31   3HG2  THR   5          3HG2      THR   5   4.972  14.034   5.637
   32    H    CYS   6           H        CYS   6   2.466  11.013   4.911
   33    HA   CYS   6           HA       CYS   6   4.387  11.225   2.608
   34   1HB   CYS   6          2HB       CYS   6   1.868   9.573   2.487
   35   2HB   CYS   6          1HB       CYS   6   3.371   9.398   1.567
   36    H    GLY   7           H        GLY   7   3.481  12.121   0.643
   37   1HA   GLY   7          2HA       GLY   7   2.339  13.906  -0.385
   38   2HA   GLY   7          1HA       GLY   7   0.911  13.016   0.148
   39    H    SER   8           H        SER   8   3.203  14.335   2.481
   40    HA   SER   8           HA       SER   8   2.990  16.040   4.017
   41   1HB   SER   8          2HB       SER   8   0.708  17.241   2.426
   42   2HB   SER   8          1HB       SER   8   1.985  18.040   3.344
   43    HG   SER   8           HG       SER   8   3.397  17.693   1.736
   44    H    ASN   9           H        ASN   9   1.754  13.710   4.692
   45    HA   ASN   9           HA       ASN   9  -0.623  14.711   6.185
   46   1HB   ASN   9          2HB       ASN   9  -0.598  12.248   4.399
   47   2HB   ASN   9          1HB       ASN   9  -1.844  12.574   5.609
   48   1HD2  ASN   9          1HD2      ASN   9  -3.154  14.553   5.314
   49   2HD2  ASN   9          2HD2      ASN   9  -3.339  15.191   3.716
   50    H    CYS  10           H        CYS  10  -0.436  14.115   8.273
   51    HA   CYS  10           HA       CYS  10   1.668  12.204   9.030
   52   1HB   CYS  10          2HB       CYS  10   0.667  14.467  10.222
   53   2HB   CYS  10          1HB       CYS  10  -0.188  13.234  11.146
   54    H    TYR  11           H        TYR  11   0.728  10.271   8.095
   55    HA   TYR  11           HA       TYR  11  -1.892   9.345   9.063
   56   1HB   TYR  11          2HB       TYR  11   0.268   8.257   7.244
   57   2HB   TYR  11          1HB       TYR  11  -0.938   7.139   7.903
   58    HD1  TYR  11           1HD      TYR  11  -2.042  10.586   7.458
   59    HD2  TYR  11           2HD      TYR  11  -1.640   6.765   5.518
   60    HE1  TYR  11           1HE      TYR  11  -3.659  11.290   5.764
   61    HE2  TYR  11           2HE      TYR  11  -3.272   7.488   3.798
   62    HH   TYR  11           HH       TYR  11  -4.014  10.154   2.936
   63    H    SER  12           H        SER  12  -2.295   7.897  10.656
   64    HA   SER  12           HA       SER  12  -0.166   7.450  12.605
   65   1HB   SER  12          2HB       SER  12  -2.699   7.915  13.013
   66   2HB   SER  12          1HB       SER  12  -2.876   6.178  12.808
   67    HG   SER  12           HG       SER  12  -2.467   6.563  14.960
   68    H    SER  13           H        SER  13   1.167   5.697  12.582
   69    HA   SER  13           HA       SER  13   1.179   3.663  10.693
   70   1HB   SER  13          2HB       SER  13   2.083   2.335  12.971
   71   2HB   SER  13          1HB       SER  13   3.059   3.360  11.913
   72    HG   SER  13           HG       SER  13   3.048   4.897  13.377
   73    H    SER  14           H        SER  14  -0.949   4.004  13.458
   74    HA   SER  14           HA       SER  14  -1.852   1.234  13.397
   75   1HB   SER  14          2HB       SER  14  -1.847   2.851  15.413
   76   2HB   SER  14          1HB       SER  14  -3.314   3.541  14.710
   77    HG   SER  14           HG       SER  14  -3.549   1.712  16.256
   78    H    ASP  15           H        ASP  15  -3.099   4.378  12.242
   79    HA   ASP  15           HA       ASP  15  -5.591   3.297  11.296
   80   1HB   ASP  15          2HB       ASP  15  -5.120   5.766  11.661
   81   2HB   ASP  15          1HB       ASP  15  -4.118   5.739  10.204
   82    H    VAL  16           H        VAL  16  -2.347   3.474  10.071
   83    HA   VAL  16           HA       VAL  16  -2.975   2.905   7.322
   84    HB   VAL  16           HB       VAL  16  -0.398   2.004   8.614
   85   1HG1  VAL  16          1HG1      VAL  16  -0.488   3.674   6.166
   86   2HG1  VAL  16          2HG1      VAL  16  -1.289   2.128   6.009
   87   3HG1  VAL  16          3HG1      VAL  16   0.405   2.195   6.477
   88   1HG2  VAL  16          1HG2      VAL  16  -0.385   4.020   9.611
   89   2HG2  VAL  16          2HG2      VAL  16  -1.459   4.806   8.489
   90   3HG2  VAL  16          3HG2      VAL  16   0.229   4.539   8.077
   91    H    SER  17           H        SER  17  -2.571   0.990  10.233
   92    HA   SER  17           HA       SER  17  -2.242  -1.574   9.064
   93   1HB   SER  17          2HB       SER  17  -1.957  -1.021  11.493
   94   2HB   SER  17          1HB       SER  17  -3.715  -0.944  11.636
   95    HG   SER  17           HG       SER  17  -2.059  -3.162  11.198
   96    H    THR  18           H        THR  18  -5.178   0.216  10.057
   97    HA   THR  18           HA       THR  18  -7.073  -1.772   9.343
   98    HB   THR  18           HB       THR  18  -8.336   0.650   8.696
   99    HG1  THR  18           1HG      THR  18  -7.386   2.219   9.843
  100   1HG2  THR  18          1HG2      THR  18  -9.114  -1.072  10.297
  101   2HG2  THR  18          2HG2      THR  18  -9.213   0.561  10.956
  102   3HG2  THR  18          3HG2      THR  18  -7.909  -0.512  11.460
  103    H    ALA  19           H        ALA  19  -6.038   1.051   7.403
  104    HA   ALA  19           HA       ALA  19  -7.240   0.137   4.969
  105   1HB   ALA  19          1HB       ALA  19  -5.598   1.710   3.886
  106   2HB   ALA  19          2HB       ALA  19  -4.873   1.911   5.488
  107   3HB   ALA  19          3HB       ALA  19  -6.525   2.446   5.198
  108    H    GLN  20           H        GLN  20  -4.463  -0.905   6.707
  109    HA   GLN  20           HA       GLN  20  -2.980  -1.992   4.501
  110   1HB   GLN  20          2HB       GLN  20  -2.651  -1.745   7.319
  111   2HB   GLN  20          1HB       GLN  20  -2.454  -3.424   6.965
  112   1HG   GLN  20          2HG       GLN  20  -0.336  -2.745   6.596
  113   2HG   GLN  20          1HG       GLN  20  -0.955  -2.389   4.985
  114   1HE2  GLN  20          1HE2      GLN  20  -0.070  -0.949   8.067
  115   2HE2  GLN  20          2HE2      GLN  20   0.230   0.572   7.410
  116    H    ALA  21           H        ALA  21  -5.515  -3.127   6.664
  117    HA   ALA  21           HA       ALA  21  -5.408  -5.867   5.578
  118   1HB   ALA  21          1HB       ALA  21  -7.248  -4.500   7.553
  119   2HB   ALA  21          2HB       ALA  21  -5.950  -5.637   7.915
  120   3HB   ALA  21          3HB       ALA  21  -7.397  -6.196   7.078
  121    H    ALA  22           H        ALA  22  -6.518  -2.974   4.402
  122    HA   ALA  22           HA       ALA  22  -9.138  -3.801   3.453
  123   1HB   ALA  22          1HB       ALA  22  -8.600  -1.434   3.906
  124   2HB   ALA  22          2HB       ALA  22  -9.082  -1.676   2.229
  125   3HB   ALA  22          3HB       ALA  22  -7.381  -1.462   2.632
  126    H    GLY  23           H        GLY  23  -6.094  -2.904   1.736
  127   1HA   GLY  23          2HA       GLY  23  -6.860  -4.072  -0.756
  128   2HA   GLY  23          1HA       GLY  23  -5.205  -3.758  -0.251
  129    H    TYR  24           H        TYR  24  -5.871  -5.500   2.236
  130    HA   TYR  24           HA       TYR  24  -4.862  -7.958   1.044
  131   1HB   TYR  24          2HB       TYR  24  -3.934  -7.345   3.180
  132   2HB   TYR  24          1HB       TYR  24  -5.543  -7.129   3.881
  133    HD1  TYR  24           1HD      TYR  24  -5.374  -8.716   5.670
  134    HD2  TYR  24           2HD      TYR  24  -4.551  -9.909   1.620
  135    HE1  TYR  24           1HE      TYR  24  -5.392 -11.099   6.358
  136    HE2  TYR  24           2HE      TYR  24  -4.579 -12.275   2.304
  137    HH   TYR  24           HH       TYR  24  -5.906 -13.474   4.832
  138    H    GLN  25           H        GLN  25  -7.613  -7.325   3.265
  139    HA   GLN  25           HA       GLN  25  -8.954  -9.731   2.924
  140   1HB   GLN  25          2HB       GLN  25  -9.547  -7.262   4.100
  141   2HB   GLN  25          1HB       GLN  25 -10.836  -7.449   2.918
  142   1HG   GLN  25          2HG       GLN  25 -11.471  -9.569   3.832
  143   2HG   GLN  25          1HG       GLN  25 -10.057  -9.609   4.897
  144   1HE2  GLN  25          1HE2      GLN  25 -13.305  -8.465   4.583
  145   2HE2  GLN  25          2HE2      GLN  25 -13.335  -7.590   6.071
  146    H    LEU  26           H        LEU  26  -9.443  -6.778   0.955
  147    HA   LEU  26           HA       LEU  26 -11.286  -7.935  -0.857
  148   1HB   LEU  26          2HB       LEU  26 -11.085  -5.583  -0.941
  149   2HB   LEU  26          1HB       LEU  26  -9.323  -5.643  -1.060
  150    HG   LEU  26           HG       LEU  26  -9.380  -6.346  -3.343
  151   1HD1  LEU  26          1HD1      LEU  26 -11.884  -7.574  -2.606
  152   2HD1  LEU  26          2HD1      LEU  26 -10.973  -7.719  -4.095
  153   3HD1  LEU  26          3HD1      LEU  26 -12.161  -6.455  -3.910
  154   1HD2  LEU  26          1HD2      LEU  26  -9.971  -3.947  -2.916
  155   2HD2  LEU  26          2HD2      LEU  26 -11.673  -4.394  -3.036
  156   3HD2  LEU  26          3HD2      LEU  26 -10.610  -4.593  -4.429
  157    H    HIS  27           H        HIS  27  -7.723  -7.891  -0.867
  158    HA   HIS  27           HA       HIS  27  -7.469  -9.074  -3.479
  159   1HB   HIS  27          2HB       HIS  27  -5.594  -7.911  -2.347
  160   2HB   HIS  27          1HB       HIS  27  -5.497  -9.211  -1.155
  161    HD1  HIS  27           1HD      HIS  27  -5.766  -9.161  -4.971
  162    HD2  HIS  27           2HD      HIS  27  -3.478 -10.893  -1.943
  163    HE1  HIS  27           1HE      HIS  27  -4.119 -10.699  -6.113
  164    HE2  HIS  27           2HE      HIS  27  -3.048 -12.016  -4.251
  165    H    GLU  28           H        GLU  28  -8.284 -10.418  -0.373
  166    HA   GLU  28           HA       GLU  28  -7.494 -13.132  -1.149
  167   1HB   GLU  28          2HB       GLU  28  -7.280 -12.565   1.201
  168   2HB   GLU  28          1HB       GLU  28  -8.964 -12.029   1.259
  169   1HG   GLU  28          2HG       GLU  28  -8.894 -14.207   2.211
  170   2HG   GLU  28          1HG       GLU  28  -9.664 -14.399   0.654
  171    H    ASP  29           H        ASP  29 -10.301 -11.075  -1.334
  172    HA   ASP  29           HA       ASP  29 -12.127 -13.364  -1.722
  173   1HB   ASP  29          2HB       ASP  29 -12.781 -11.194  -0.543
  174   2HB   ASP  29          1HB       ASP  29 -12.740 -10.409  -2.126
  175    H    GLY  30           H        GLY  30  -9.996 -11.470  -3.618
  176   1HA   GLY  30          2HA       GLY  30  -9.578 -11.584  -5.912
  177   2HA   GLY  30          1HA       GLY  30 -10.868 -12.779  -6.061
  178    H    GLU  31           H        GLU  31 -12.162 -10.188  -4.397
  179    HA   GLU  31           HA       GLU  31 -13.782  -9.411  -6.615
  180   1HB   GLU  31          2HB       GLU  31 -14.141  -9.288  -3.956
  181   2HB   GLU  31          1HB       GLU  31 -13.557  -7.666  -4.164
  182   1HG   GLU  31          2HG       GLU  31 -15.952  -7.658  -4.337
  183   2HG   GLU  31          1HG       GLU  31 -15.282  -7.280  -5.925
  184    H    THR  32           H        THR  32 -13.619  -6.433  -5.790
  185    HA   THR  32           HA       THR  32 -11.013  -5.555  -6.559
  186    HB   THR  32           HB       THR  32 -12.840  -4.598  -8.672
  187    HG1  THR  32           1HG      THR  32 -13.263  -6.513  -9.638
  188   1HG2  THR  32          1HG2      THR  32 -10.113  -5.112  -8.275
  189   2HG2  THR  32          2HG2      THR  32 -10.917  -4.495  -9.722
  190   3HG2  THR  32          3HG2      THR  32 -10.617  -6.225  -9.552
  191    H    VAL  33           H        VAL  33 -11.461  -3.051  -7.438
  192    HA   VAL  33           HA       VAL  33 -13.156  -1.888  -5.248
  193    HB   VAL  33           HB       VAL  33 -11.729   0.213  -5.834
  194   1HG1  VAL  33          1HG1      VAL  33 -11.468  -1.045  -3.770
  195   2HG1  VAL  33          2HG1      VAL  33  -9.880  -0.618  -4.404
  196   3HG1  VAL  33          3HG1      VAL  33 -10.495  -2.252  -4.596
  197   1HG2  VAL  33          1HG2      VAL  33  -9.691  -0.168  -6.988
  198   2HG2  VAL  33          2HG2      VAL  33 -10.855  -0.982  -7.996
  199   3HG2  VAL  33          3HG2      VAL  33  -9.840  -1.898  -6.901
  200    H    GLY  34           H        GLY  34 -12.234   0.283  -7.804
  201   1HA   GLY  34          2HA       GLY  34 -15.008   0.736  -8.461
  202   2HA   GLY  34          1HA       GLY  34 -13.607   1.552  -9.158
  203    H    SER  35           H        SER  35 -12.203  -0.782 -10.029
  204    HA   SER  35           HA       SER  35 -13.527  -2.697 -11.487
  205   1HB   SER  35          2HB       SER  35 -14.923  -1.301 -12.740
  206   2HB   SER  35          1HB       SER  35 -13.725   0.002 -12.820
  207    HG   SER  35           HG       SER  35 -14.084  -1.306 -14.789
  208    H    ASN  36           H        ASN  36 -11.081  -0.139 -11.752
  209    HA   ASN  36           HA       ASN  36  -9.378  -1.580 -13.583
  210   1HB   ASN  36          2HB       ASN  36  -8.996   0.734 -11.666
  211   2HB   ASN  36          1HB       ASN  36  -7.606   0.042 -12.516
  212   1HD2  ASN  36          1HD2      ASN  36  -7.202   0.913 -14.518
  213   2HD2  ASN  36          2HD2      ASN  36  -8.374   1.751 -15.470
  214    H    SER  37           H        SER  37 -10.067  -1.962 -10.214
  215    HA   SER  37           HA       SER  37  -9.220  -3.413  -8.659
  216   1HB   SER  37          2HB       SER  37  -9.245  -4.978 -10.760
  217   2HB   SER  37          1HB       SER  37  -7.534  -4.653 -10.850
  218    HG   SER  37           HG       SER  37  -8.121  -6.538  -9.577
  219    H    TYR  38           H        TYR  38  -7.713  -2.862  -7.184
  220    HA   TYR  38           HA       TYR  38  -5.118  -1.783  -8.182
  221   1HB   TYR  38          2HB       TYR  38  -7.059  -0.614  -6.479
  222   2HB   TYR  38          1HB       TYR  38  -5.604  -0.887  -5.512
  223    HD1  TYR  38           1HD      TYR  38  -7.051   0.936  -8.324
  224    HD2  TYR  38           2HD      TYR  38  -3.419   0.022  -6.224
  225    HE1  TYR  38           1HE      TYR  38  -5.920   2.831  -9.455
  226    HE2  TYR  38           2HE      TYR  38  -2.290   1.882  -7.380
  227    HH   TYR  38           HH       TYR  38  -3.106   3.274  -9.977
  228    HA   PRO  39           HA       PRO  39  -3.905  -4.393  -4.353
  229   1HB   PRO  39          2HB       PRO  39  -5.469  -6.549  -3.792
  230   2HB   PRO  39          1HB       PRO  39  -5.677  -4.966  -3.056
  231   1HG   PRO  39          2HG       PRO  39  -7.330  -6.291  -5.163
  232   2HG   PRO  39          1HG       PRO  39  -7.807  -5.075  -3.965
  233   1HD   PRO  39          2HD       PRO  39  -7.241  -4.629  -6.687
  234   2HD   PRO  39          1HD       PRO  39  -7.440  -3.376  -5.428
  235    H    HIS  40           H        HIS  40  -2.215  -5.101  -5.718
  236    HA   HIS  40           HA       HIS  40  -2.534  -7.906  -6.708
  237   1HB   HIS  40          2HB       HIS  40  -0.688  -6.555  -8.471
  238   2HB   HIS  40          1HB       HIS  40  -2.207  -7.363  -8.870
  239    HD1  HIS  40           1HD      HIS  40  -4.412  -5.851  -8.520
  240    HD2  HIS  40           2HD      HIS  40  -0.789  -3.819  -8.834
  241    HE1  HIS  40           1HE      HIS  40  -4.934  -3.524  -9.200
  242    HE2  HIS  40           2HE      HIS  40  -2.810  -2.179  -8.954
  243    H    LYS  41           H        LYS  41  -0.412  -9.007  -6.917
  244    HA   LYS  41           HA       LYS  41   1.183  -8.530  -4.620
  245   1HB   LYS  41          2HB       LYS  41   2.616 -10.287  -5.393
  246   2HB   LYS  41          1HB       LYS  41   0.973 -10.710  -5.879
  247   1HG   LYS  41          2HG       LYS  41   1.829 -10.984  -7.920
  248   2HG   LYS  41          1HG       LYS  41   1.742  -9.244  -8.061
  249   1HD   LYS  41          2HD       LYS  41   3.956  -9.426  -8.515
  250   2HD   LYS  41          1HD       LYS  41   4.145  -9.484  -6.760
  251   1HE   LYS  41          2HE       LYS  41   4.635 -11.700  -6.750
  252   2HE   LYS  41          1HE       LYS  41   3.537 -12.091  -8.078
  253   1HZ   LYS  41          1HZ       LYS  41   5.841 -12.348  -8.733
  254   2HZ   LYS  41          2HZ       LYS  41   6.169 -10.730  -8.360
  255   3HZ   LYS  41          3HZ       LYS  41   5.113 -11.123  -9.630
  256    H    TYR  42           H        TYR  42   3.118  -7.432  -4.311
  257    HA   TYR  42           HA       TYR  42   3.953  -5.675  -6.538
  258   1HB   TYR  42          2HB       TYR  42   3.346  -4.612  -4.339
  259   2HB   TYR  42          1HB       TYR  42   4.669  -5.498  -3.591
  260    HD1  TYR  42           1HD      TYR  42   6.038  -3.679  -2.924
  261    HD2  TYR  42           2HD      TYR  42   4.719  -4.006  -6.999
  262    HE1  TYR  42           1HE      TYR  42   7.645  -1.905  -3.593
  263    HE2  TYR  42           2HE      TYR  42   6.306  -2.248  -7.664
  264    HH   TYR  42           HH       TYR  42   8.865  -1.263  -5.930
  265    H    ASN  43           H        ASN  43   6.238  -5.581  -7.111
  266    HA   ASN  43           HA       ASN  43   7.728  -8.036  -6.293
  267   1HB   ASN  43          2HB       ASN  43   8.246  -6.251  -8.691
  268   2HB   ASN  43          1HB       ASN  43   8.896  -7.866  -8.381
  269   1HD2  ASN  43          1HD2      ASN  43   7.908  -8.546 -10.446
  270   2HD2  ASN  43          2HD2      ASN  43   6.211  -8.861 -10.497
  271    H    ASN  44           H        ASN  44   7.765  -4.600  -5.972
  272    HA   ASN  44           HA       ASN  44   9.320  -3.174  -4.999
  273   1HB   ASN  44          2HB       ASN  44  10.782  -5.644  -4.033
  274   2HB   ASN  44          1HB       ASN  44  10.678  -4.053  -3.282
  275   1HD2  ASN  44          1HD2      ASN  44   9.468  -7.131  -3.039
  276   2HD2  ASN  44          2HD2      ASN  44   7.984  -6.765  -2.271
  277    H    TYR  45           H        TYR  45  10.209  -2.403  -6.987
  278    HA   TYR  45           HA       TYR  45  12.799  -3.711  -7.731
  279   1HB   TYR  45          2HB       TYR  45  10.515  -2.704  -9.411
  280   2HB   TYR  45          1HB       TYR  45  12.148  -2.462 -10.041
  281    HD1  TYR  45           1HD      TYR  45   9.488  -4.670 -10.116
  282    HD2  TYR  45           2HD      TYR  45  13.755  -4.602  -9.627
  283    HE1  TYR  45           1HE      TYR  45   9.612  -7.025 -10.882
  284    HE2  TYR  45           2HE      TYR  45  13.882  -6.957 -10.390
  285    HH   TYR  45           HH       TYR  45  11.939  -8.477 -12.067
  286    H    GLU  46           H        GLU  46  12.223  -1.516  -5.812
  287    HA   GLU  46           HA       GLU  46  13.513   0.782  -7.205
  288   1HB   GLU  46          2HB       GLU  46  11.828   1.760  -6.048
  289   2HB   GLU  46          1HB       GLU  46  11.624   0.406  -4.949
  290   1HG   GLU  46          2HG       GLU  46  12.969   1.274  -3.367
  291   2HG   GLU  46          1HG       GLU  46  14.130   1.939  -4.522
  292    H    GLY  47           H        GLY  47  13.682  -0.749  -4.001
  293   1HA   GLY  47          2HA       GLY  47  16.070  -1.845  -3.713
  294   2HA   GLY  47          1HA       GLY  47  16.611  -0.176  -3.901
  295    H    PHE  48           H        PHE  48  13.637  -1.207  -2.247
  296    HA   PHE  48           HA       PHE  48  14.187   0.421   0.034
  297   1HB   PHE  48          2HB       PHE  48  12.333  -1.968  -0.383
  298   2HB   PHE  48          1HB       PHE  48  12.318  -0.980   1.082
  299    HD1  PHE  48           1HD      PHE  48  10.211  -1.448  -1.318
  300    HD2  PHE  48           2HD      PHE  48  12.839   1.734  -0.108
  301    HE1  PHE  48           1HE      PHE  48   8.711   0.207  -2.376
  302    HE2  PHE  48           2HE      PHE  48  11.361   3.354  -1.180
  303    HZ   PHE  48           HZ       PHE  48   9.280   2.600  -2.290
  304    H    ASP  49           H        ASP  49  13.952  -1.101   2.305
  305    HA   ASP  49           HA       ASP  49  16.182  -3.071   2.005
  306   1HB   ASP  49          2HB       ASP  49  16.072  -0.594   3.637
  307   2HB   ASP  49          1HB       ASP  49  16.611  -2.028   4.518
  308    H    PHE  50           H        PHE  50  13.043  -2.860   2.699
  309    HA   PHE  50           HA       PHE  50  13.167  -4.595   5.110
  310   1HB   PHE  50          2HB       PHE  50  10.624  -4.380   4.997
  311   2HB   PHE  50          1HB       PHE  50  11.506  -2.887   5.279
  312    HD1  PHE  50           1HD      PHE  50  10.459  -4.919   2.270
  313    HD2  PHE  50           2HD      PHE  50  10.725  -1.055   4.132
  314    HE1  PHE  50           1HE      PHE  50   9.438  -3.902   0.283
  315    HE2  PHE  50           2HE      PHE  50   9.660  -0.040   2.134
  316    HZ   PHE  50           HZ       PHE  50   8.974  -1.479   0.240
  317    H    SER  51           H        SER  51  11.050  -6.256   4.751
  318    HA   SER  51           HA       SER  51  10.622  -7.486   2.295
  319   1HB   SER  51          2HB       SER  51  12.914  -7.946   1.908
  320   2HB   SER  51          1HB       SER  51  13.208  -8.351   3.604
  321    HG   SER  51           HG       SER  51  13.068 -10.262   2.489
  322    H    VAL  52           H        VAL  52   9.202  -7.161   4.670
  323    HA   VAL  52           HA       VAL  52   9.143  -9.191   6.546
  324    HB   VAL  52           HB       VAL  52   6.458  -8.974   6.144
  325   1HG1  VAL  52          1HG1      VAL  52   7.713  -8.244   8.133
  326   2HG1  VAL  52          2HG1      VAL  52   6.531  -7.033   7.641
  327   3HG1  VAL  52          3HG1      VAL  52   8.242  -6.797   7.274
  328   1HG2  VAL  52          1HG2      VAL  52   6.926  -7.716   4.004
  329   2HG2  VAL  52          2HG2      VAL  52   7.532  -6.386   4.981
  330   3HG2  VAL  52          3HG2      VAL  52   5.863  -6.924   5.121
  331    H    SER  53           H        SER  53   8.334  -9.433   3.147
  332    HA   SER  53           HA       SER  53   8.537 -12.295   3.205
  333   1HB   SER  53          2HB       SER  53   5.872 -11.973   2.191
  334   2HB   SER  53          1HB       SER  53   6.395 -12.868   3.621
  335    HG   SER  53           HG       SER  53   5.619 -11.311   4.815
  336    H    SER  54           H        SER  54   8.068 -13.208   0.992
  337    HA   SER  54           HA       SER  54   9.128 -11.417  -1.052
  338   1HB   SER  54          2HB       SER  54   7.940 -13.962  -2.003
  339   2HB   SER  54          1HB       SER  54   9.556 -13.302  -2.183
  340    HG   SER  54           HG       SER  54  10.167 -14.133  -0.278
  341    HA   PRO  55           HA       PRO  55   4.806 -12.061  -3.016
  342   1HB   PRO  55          2HB       PRO  55   2.851 -13.153  -1.432
  343   2HB   PRO  55          1HB       PRO  55   3.916 -14.088  -2.477
  344   1HG   PRO  55          2HG       PRO  55   4.004 -13.785   0.502
  345   2HG   PRO  55          1HG       PRO  55   4.519 -15.154  -0.499
  346   1HD   PRO  55          2HD       PRO  55   6.179 -13.237   0.651
  347   2HD   PRO  55          1HD       PRO  55   6.644 -14.363  -0.619
  348    H    TYR  56           H        TYR  56   4.934  -9.819  -2.785
  349    HA   TYR  56           HA       TYR  56   3.693  -8.571  -0.401
  350   1HB   TYR  56          2HB       TYR  56   5.457  -7.700  -2.656
  351   2HB   TYR  56          1HB       TYR  56   4.377  -6.487  -2.001
  352    HD1  TYR  56           1HD      TYR  56   5.436  -9.155   0.254
  353    HD2  TYR  56           2HD      TYR  56   6.366  -5.234  -1.241
  354    HE1  TYR  56           1HE      TYR  56   6.891  -8.778   2.161
  355    HE2  TYR  56           2HE      TYR  56   7.869  -4.893   0.679
  356    HH   TYR  56           HH       TYR  56   8.307  -5.697   2.923
  357    H    TYR  57           H        TYR  57   2.481  -6.382  -1.333
  358    HA   TYR  57           HA       TYR  57   0.684  -6.940  -3.512
  359   1HB   TYR  57          2HB       TYR  57  -0.231  -7.134  -0.665
  360   2HB   TYR  57          1HB       TYR  57  -1.387  -6.846  -1.969
  361    HD1  TYR  57           1HD      TYR  57   0.288  -9.312  -0.088
  362    HD2  TYR  57           2HD      TYR  57  -1.219  -8.499  -3.991
  363    HE1  TYR  57           1HE      TYR  57   0.240 -11.754  -0.559
  364    HE2  TYR  57           2HE      TYR  57  -1.227 -10.915  -4.511
  365    HH   TYR  57           HH       TYR  57   0.207 -13.078  -3.404
  366    H    GLU  58           H        GLU  58   0.897  -4.910  -4.370
  367    HA   GLU  58           HA       GLU  58   1.081  -2.540  -2.697
  368   1HB   GLU  58          2HB       GLU  58   0.992  -1.286  -4.835
  369   2HB   GLU  58          1HB       GLU  58   2.156  -2.618  -4.913
  370   1HG   GLU  58          2HG       GLU  58   0.203  -4.010  -5.921
  371   2HG   GLU  58          1HG       GLU  58  -0.591  -2.451  -6.137
  372    H    TRP  59           H        TRP  59  -0.516  -1.101  -2.161
  373    HA   TRP  59           HA       TRP  59  -3.160  -1.226  -3.395
  374   1HB   TRP  59          2HB       TRP  59  -3.586  -3.020  -1.910
  375   2HB   TRP  59          1HB       TRP  59  -2.612  -2.296  -0.627
  376    HD1  TRP  59           HD       TRP  59  -3.742  -0.589   0.964
  377    HE1  TRP  59           1HE      TRP  59  -6.177   0.161   1.313
  378    HE3  TRP  59           3HE      TRP  59  -5.884  -2.601  -3.226
  379    HZ2  TRP  59           2HZ      TRP  59  -8.685  -0.063  -0.039
  380    HZ3  TRP  59           3HZ      TRP  59  -8.306  -2.316  -3.651
  381    HH2  TRP  59           HH       TRP  59  -9.713  -1.068  -2.071
  382    HA   PRO  60           HA       PRO  60  -2.748   3.019  -2.154
  383   1HB   PRO  60          2HB       PRO  60  -5.366   3.781  -2.436
  384   2HB   PRO  60          1HB       PRO  60  -4.234   3.570  -3.771
  385   1HG   PRO  60          2HG       PRO  60  -6.387   1.703  -2.855
  386   2HG   PRO  60          1HG       PRO  60  -5.822   2.004  -4.496
  387   1HD   PRO  60          2HD       PRO  60  -5.144  -0.172  -3.018
  388   2HD   PRO  60          1HD       PRO  60  -4.180   0.432  -4.307
  389    H    ILE  61           H        ILE  61  -2.645   3.949  -0.213
  390    HA   ILE  61           HA       ILE  61  -4.378   2.869   1.971
  391    HB   ILE  61           HB       ILE  61  -2.176   2.533   2.619
  392   1HG1  ILE  61          2HG1      ILE  61  -1.774   3.956   4.474
  393   2HG1  ILE  61          1HG1      ILE  61  -2.529   5.346   3.693
  394   1HG2  ILE  61          1HG2      ILE  61  -1.515   5.233   1.456
  395   2HG2  ILE  61          2HG2      ILE  61  -1.093   3.670   0.795
  396   3HG2  ILE  61          3HG2      ILE  61  -0.357   4.198   2.275
  397   1HD1  ILE  61          1HD1      ILE  61  -4.438   3.211   3.838
  398   2HD1  ILE  61          2HD1      ILE  61  -4.469   4.773   4.591
  399   3HD1  ILE  61          3HD1      ILE  61  -3.706   3.453   5.398
  400    H    LEU  62           H        LEU  62  -5.907   4.246   2.816
  401    HA   LEU  62           HA       LEU  62  -5.539   7.195   2.376
  402   1HB   LEU  62          2HB       LEU  62  -8.286   5.992   2.585
  403   2HB   LEU  62          1HB       LEU  62  -7.734   7.429   1.712
  404    HG   LEU  62           HG       LEU  62  -7.265   4.533   0.914
  405   1HD1  LEU  62          1HD1      LEU  62  -9.511   5.482   0.430
  406   2HD1  LEU  62          2HD1      LEU  62  -8.589   5.126  -1.023
  407   3HD1  LEU  62          3HD1      LEU  62  -8.736   6.792  -0.471
  408   1HD2  LEU  62          1HD2      LEU  62  -5.464   5.247  -0.215
  409   2HD2  LEU  62          2HD2      LEU  62  -5.685   6.911   0.323
  410   3HD2  LEU  62          3HD2      LEU  62  -6.481   6.341  -1.114
  411    H    SER  63           H        SER  63  -6.766   8.511   4.000
  412    HA   SER  63           HA       SER  63  -6.865   7.080   6.644
  413   1HB   SER  63          2HB       SER  63  -5.058   8.576   6.883
  414   2HB   SER  63          1HB       SER  63  -5.840   9.791   5.860
  415    HG   SER  63           HG       SER  63  -6.402   9.144   8.535
  416    H    SER  64           H        SER  64  -8.916   7.883   4.424
  417    HA   SER  64           HA       SER  64 -10.713   9.566   6.096
  418   1HB   SER  64          2HB       SER  64 -10.151   9.430   3.330
  419   2HB   SER  64          1HB       SER  64 -11.792   8.827   3.486
  420    HG   SER  64           HG       SER  64 -12.388  10.722   4.461
  421    H    GLY  65           H        GLY  65 -13.153   8.527   4.910
  422   1HA   GLY  65          2HA       GLY  65 -13.241   5.835   6.245
  423   2HA   GLY  65          1HA       GLY  65 -14.560   7.002   6.239
  424    H    ASP  66           H        ASP  66 -12.444   5.672   3.666
  425    HA   ASP  66           HA       ASP  66 -14.700   4.300   2.426
  426   1HB   ASP  66          2HB       ASP  66 -15.151   6.657   1.759
  427   2HB   ASP  66          1HB       ASP  66 -13.547   6.745   1.017
  428    H    VAL  67           H        VAL  67 -13.553   2.465   2.003
  429    HA   VAL  67           HA       VAL  67 -10.813   2.175   1.545
  430    HB   VAL  67           HB       VAL  67 -13.010   0.557   0.190
  431   1HG1  VAL  67          1HG1      VAL  67 -10.790   0.074  -0.727
  432   2HG1  VAL  67          2HG1      VAL  67 -11.301  -1.255   0.286
  433   3HG1  VAL  67          3HG1      VAL  67 -10.142  -0.085   0.905
  434   1HG2  VAL  67          1HG2      VAL  67 -11.811   0.491   2.965
  435   2HG2  VAL  67          2HG2      VAL  67 -12.507  -0.957   2.241
  436   3HG2  VAL  67          3HG2      VAL  67 -13.512   0.460   2.482
  437    H    TYR  68           H        TYR  68  -9.608   1.831  -0.552
  438    HA   TYR  68           HA       TYR  68  -9.820   3.972  -2.302
  439   1HB   TYR  68          2HB       TYR  68  -7.856   2.633  -2.385
  440   2HB   TYR  68          1HB       TYR  68  -8.757   1.192  -2.849
  441    HD1  TYR  68           1HD      TYR  68 -10.037   1.236  -5.078
  442    HD2  TYR  68           2HD      TYR  68  -7.015   4.074  -4.061
  443    HE1  TYR  68           1HE      TYR  68  -9.839   1.822  -7.455
  444    HE2  TYR  68           2HE      TYR  68  -6.778   4.654  -6.459
  445    HH   TYR  68           HH       TYR  68  -8.065   2.805  -8.982
  446    H    SER  69           H        SER  69 -11.432   4.564  -3.638
  447    HA   SER  69           HA       SER  69 -12.648   2.712  -5.512
  448   1HB   SER  69          2HB       SER  69 -13.959   3.203  -2.910
  449   2HB   SER  69          1HB       SER  69 -15.018   3.525  -4.280
  450    HG   SER  69           HG       SER  69 -14.939   1.294  -3.488
  451    H    GLY  70           H        GLY  70 -11.273   5.196  -5.701
  452   1HA   GLY  70          2HA       GLY  70 -12.072   6.742  -7.555
  453   2HA   GLY  70          1HA       GLY  70 -13.465   7.089  -6.536
  454    H    GLY  71           H        GLY  71 -10.920   6.644  -4.441
  455   1HA   GLY  71          2HA       GLY  71 -10.670   9.532  -3.997
  456   2HA   GLY  71          1HA       GLY  71  -9.987   8.241  -3.010
  457    H    SER  72           H        SER  72  -7.933   9.363  -3.001
  458    HA   SER  72           HA       SER  72  -6.579   9.908  -5.498
  459   1HB   SER  72          2HB       SER  72  -5.990  10.205  -2.627
  460   2HB   SER  72          1HB       SER  72  -4.565   9.883  -3.618
  461    HG   SER  72           HG       SER  72  -4.918  12.079  -3.621
  462    HA   PRO  73           HA       PRO  73  -5.107   5.683  -5.955
  463   1HB   PRO  73          2HB       PRO  73  -3.671   6.112  -8.249
  464   2HB   PRO  73          1HB       PRO  73  -5.416   6.007  -8.194
  465   1HG   PRO  73          2HG       PRO  73  -3.732   8.454  -8.523
  466   2HG   PRO  73          1HG       PRO  73  -5.369   8.126  -9.107
  467   1HD   PRO  73          2HD       PRO  73  -4.675   9.660  -6.813
  468   2HD   PRO  73          1HD       PRO  73  -6.295   9.100  -7.277
  469    H    GLY  74           H        GLY  74  -2.376   7.383  -7.396
  470   1HA   GLY  74          2HA       GLY  74  -0.421   6.026  -5.879
  471   2HA   GLY  74          1HA       GLY  74  -0.190   7.484  -6.809
  472    H    ALA  75           H        ALA  75   0.394   9.250  -5.619
  473    HA   ALA  75           HA       ALA  75   0.853  10.549  -3.759
  474   1HB   ALA  75          1HB       ALA  75  -1.978   9.627  -3.226
  475   2HB   ALA  75          2HB       ALA  75  -1.435  11.153  -3.897
  476   3HB   ALA  75          3HB       ALA  75  -1.151  10.806  -2.197
  477    H    ASP  76           H        ASP  76  -1.182   8.323  -1.845
  478    HA   ASP  76           HA       ASP  76   1.306   7.501  -0.394
  479   1HB   ASP  76          2HB       ASP  76  -1.404   7.443   0.912
  480   2HB   ASP  76          1HB       ASP  76   0.198   7.700   1.618
  481    H    ARG  77           H        ARG  77   1.757   5.384  -0.809
  482    HA   ARG  77           HA       ARG  77  -0.558   3.480  -0.952
  483   1HB   ARG  77          2HB       ARG  77   1.565   3.994  -2.927
  484   2HB   ARG  77          1HB       ARG  77   1.443   2.289  -2.475
  485   1HG   ARG  77          2HG       ARG  77  -1.063   2.503  -2.846
  486   2HG   ARG  77          1HG       ARG  77  -0.712   4.068  -3.605
  487   1HD   ARG  77          2HD       ARG  77   1.060   1.946  -4.601
  488   2HD   ARG  77          1HD       ARG  77  -0.650   1.511  -4.768
  489    HE   ARG  77           HE       ARG  77   1.019   3.421  -6.102
  490   1HH1  ARG  77          1HH2      ARG  77  -2.318   2.664  -4.804
  491   2HH1  ARG  77          2HH2      ARG  77  -3.224   3.690  -5.829
  492   1HH2  ARG  77          1HH1      ARG  77  -0.544   4.799  -7.708
  493   2HH2  ARG  77          2HH1      ARG  77  -2.256   4.759  -7.567
  494    H    VAL  78           H        VAL  78  -0.292   1.637   0.264
  495    HA   VAL  78           HA       VAL  78   2.384   1.255   1.565
  496    HB   VAL  78           HB       VAL  78   0.609   2.158   3.121
  497   1HG1  VAL  78          1HG1      VAL  78  -0.682  -0.562   3.001
  498   2HG1  VAL  78          2HG1      VAL  78  -1.185   0.675   1.858
  499   3HG1  VAL  78          3HG1      VAL  78  -1.333   0.973   3.569
  500   1HG2  VAL  78          1HG2      VAL  78   1.358  -0.680   3.855
  501   2HG2  VAL  78          2HG2      VAL  78   1.243   0.742   4.895
  502   3HG2  VAL  78          3HG2      VAL  78   2.566   0.587   3.756
  503    H    VAL  79           H        VAL  79   3.105  -0.892   1.665
  504    HA   VAL  79           HA       VAL  79   1.414  -2.823   0.112
  505    HB   VAL  79           HB       VAL  79   4.412  -2.867   0.517
  506   1HG1  VAL  79          1HG1      VAL  79   4.173  -4.395  -1.523
  507   2HG1  VAL  79          2HG1      VAL  79   2.483  -4.452  -1.137
  508   3HG1  VAL  79          3HG1      VAL  79   3.653  -5.076   0.005
  509   1HG2  VAL  79          1HG2      VAL  79   2.842  -1.971  -1.888
  510   2HG2  VAL  79          2HG2      VAL  79   4.590  -2.001  -1.716
  511   3HG2  VAL  79          3HG2      VAL  79   3.637  -0.891  -0.746
  512    H    PHE  80           H        PHE  80   1.714  -5.095   0.679
  513    HA   PHE  80           HA       PHE  80   2.611  -5.740   3.376
  514   1HB   PHE  80          2HB       PHE  80   0.307  -6.445   4.080
  515   2HB   PHE  80          1HB       PHE  80   0.439  -4.706   3.814
  516    HD1  PHE  80           1HD      PHE  80  -0.585  -7.882   2.138
  517    HD2  PHE  80           2HD      PHE  80  -0.963  -3.611   2.278
  518    HE1  PHE  80           1HE      PHE  80  -2.376  -8.008   0.464
  519    HE2  PHE  80           2HE      PHE  80  -2.798  -3.746   0.617
  520    HZ   PHE  80           HZ       PHE  80  -3.471  -5.932  -0.315
  521    H    ASN  81           H        ASN  81   1.382  -8.170   3.726
  522    HA   ASN  81           HA       ASN  81   1.927  -9.619   1.154
  523   1HB   ASN  81          2HB       ASN  81   3.775 -10.047   2.621
  524   2HB   ASN  81          1HB       ASN  81   2.709 -10.352   3.990
  525   1HD2  ASN  81          1HD2      ASN  81   3.993 -12.492   3.932
  526   2HD2  ASN  81          2HD2      ASN  81   3.379 -13.730   2.903
  527    H    GLU  82           H        GLU  82   0.845 -10.886   4.266
  528    HA   GLU  82           HA       GLU  82  -1.933 -11.135   3.365
  529   1HB   GLU  82          2HB       GLU  82  -1.979 -13.557   3.380
  530   2HB   GLU  82          1HB       GLU  82  -0.753 -13.032   2.225
  531   1HG   GLU  82          2HG       GLU  82   0.954 -13.902   3.380
  532   2HG   GLU  82          1HG       GLU  82   0.346 -13.387   4.950
  533    H    ASN  83           H        ASN  83  -0.084 -10.244   5.697
  534    HA   ASN  83           HA       ASN  83  -1.933 -11.121   7.791
  535   1HB   ASN  83          2HB       ASN  83   0.800 -12.214   7.485
  536   2HB   ASN  83          1HB       ASN  83   0.544 -11.494   9.074
  537   1HD2  ASN  83          1HD2      ASN  83   0.667 -14.411   8.087
  538   2HD2  ASN  83          2HD2      ASN  83  -0.751 -15.098   8.789
  539    H    ASN  84           H        ASN  84  -1.079  -8.656   6.342
  540    HA   ASN  84           HA       ASN  84  -0.550  -6.476   6.789
  541   1HB   ASN  84          2HB       ASN  84  -1.693  -5.577   8.597
  542   2HB   ASN  84          1HB       ASN  84  -2.476  -7.155   8.514
  543   1HD2  ASN  84          1HD2      ASN  84  -0.091  -5.244  10.304
  544   2HD2  ASN  84          2HD2      ASN  84  -0.067  -6.292  11.675
  545    H    GLN  85           H        GLN  85   1.499  -8.670   7.343
  546    HA   GLN  85           HA       GLN  85   3.161  -8.118   9.519
  547   1HB   GLN  85          2HB       GLN  85   4.490  -8.443   6.835
  548   2HB   GLN  85          1HB       GLN  85   4.865  -9.215   8.382
  549   1HG   GLN  85          2HG       GLN  85   2.385 -10.257   7.923
  550   2HG   GLN  85          1HG       GLN  85   2.957 -10.015   6.259
  551   1HE2  GLN  85          1HE2      GLN  85   3.785 -11.540   9.375
  552   2HE2  GLN  85          2HE2      GLN  85   4.792 -12.749   8.665
  553    H    LEU  86           H        LEU  86   2.706  -6.365   6.497
  554    HA   LEU  86           HA       LEU  86   2.897  -4.087   6.225
  555   1HB   LEU  86          2HB       LEU  86   3.434  -4.098   8.887
  556   2HB   LEU  86          1HB       LEU  86   5.048  -3.696   8.291
  557    HG   LEU  86           HG       LEU  86   3.950  -1.618   8.620
  558   1HD1  LEU  86          1HD1      LEU  86   3.868  -0.676   6.435
  559   2HD1  LEU  86          2HD1      LEU  86   3.491  -2.202   5.670
  560   3HD1  LEU  86          3HD1      LEU  86   5.091  -1.932   6.376
  561   1HD2  LEU  86          1HD2      LEU  86   1.623  -1.963   6.917
  562   2HD2  LEU  86          2HD2      LEU  86   1.744  -1.411   8.588
  563   3HD2  LEU  86          3HD2      LEU  86   1.602  -3.127   8.233
  564    H    ALA  87           H        ALA  87   3.939  -3.893   4.322
  565    HA   ALA  87           HA       ALA  87   6.714  -4.856   3.999
  566   1HB   ALA  87          1HB       ALA  87   5.317  -5.339   2.126
  567   2HB   ALA  87          2HB       ALA  87   6.300  -3.956   1.618
  568   3HB   ALA  87          3HB       ALA  87   4.678  -3.716   2.160
  569    H    GLY  88           H        GLY  88   4.868  -1.838   3.888
  570   1HA   GLY  88          2HA       GLY  88   6.502  -0.080   5.105
  571   2HA   GLY  88          1HA       GLY  88   7.349  -0.241   3.563
  572    H    VAL  89           H        VAL  89   5.836   2.094   4.730
  573    HA   VAL  89           HA       VAL  89   3.499   2.325   2.934
  574    HB   VAL  89           HB       VAL  89   4.739   4.340   4.813
  575   1HG1  VAL  89          1HG1      VAL  89   2.018   4.325   3.484
  576   2HG1  VAL  89          2HG1      VAL  89   3.362   5.314   2.935
  577   3HG1  VAL  89          3HG1      VAL  89   2.671   5.580   4.524
  578   1HG2  VAL  89          1HG2      VAL  89   2.328   2.541   5.114
  579   2HG2  VAL  89          2HG2      VAL  89   2.820   3.732   6.254
  580   3HG2  VAL  89          3HG2      VAL  89   3.839   2.337   5.970
  581    H    ILE  90           H        ILE  90   4.543   2.247   0.878
  582    HA   ILE  90           HA       ILE  90   6.634   4.194   0.225
  583    HB   ILE  90           HB       ILE  90   6.408   3.335  -2.049
  584   1HG1  ILE  90          2HG1      ILE  90   3.913   2.066  -0.902
  585   2HG1  ILE  90          1HG1      ILE  90   4.127   2.853  -2.456
  586   1HG2  ILE  90          1HG2      ILE  90   7.738   2.140  -0.323
  587   2HG2  ILE  90          2HG2      ILE  90   7.121   1.077  -1.572
  588   3HG2  ILE  90          3HG2      ILE  90   6.347   1.119   0.004
  589   1HD1  ILE  90          1HD1      ILE  90   5.530   0.894  -3.150
  590   2HD1  ILE  90          2HD1      ILE  90   3.873   0.478  -2.772
  591   3HD1  ILE  90          3HD1      ILE  90   5.148   0.142  -1.620
  592    H    THR  91           H        THR  91   6.190   5.701  -1.747
  593    HA   THR  91           HA       THR  91   3.396   6.758  -1.642
  594    HB   THR  91           HB       THR  91   4.897   8.073  -0.107
  595    HG1  THR  91           1HG      THR  91   3.271   9.286  -0.924
  596   1HG2  THR  91          1HG2      THR  91   6.948   7.688  -1.564
  597   2HG2  THR  91          2HG2      THR  91   6.722   9.316  -0.965
  598   3HG2  THR  91          3HG2      THR  91   6.312   8.952  -2.630
  599    H    HIS  92           H        HIS  92   2.643   7.549  -3.573
  600    HA   HIS  92           HA       HIS  92   4.347   7.077  -5.930
  601   1HB   HIS  92          2HB       HIS  92   1.700   6.534  -5.466
  602   2HB   HIS  92          1HB       HIS  92   1.589   8.077  -6.301
  603    HD1  HIS  92           1HD      HIS  92   3.800   5.066  -6.865
  604    HD2  HIS  92           2HD      HIS  92   1.280   7.629  -8.944
  605    HE1  HIS  92           1HE      HIS  92   3.816   4.267  -9.263
  606    HE2  HIS  92           2HE      HIS  92   2.089   5.671 -10.467
  607    H    THR  93           H        THR  93   5.693   8.984  -5.299
  608    HA   THR  93           HA       THR  93   5.219  11.252  -6.874
  609    HB   THR  93           HB       THR  93   3.978  11.405  -4.130
  610    HG1  THR  93           1HG      THR  93   2.375  12.349  -5.293
  611   1HG2  THR  93          1HG2      THR  93   5.613  13.135  -3.872
  612   2HG2  THR  93          2HG2      THR  93   4.114  13.920  -4.330
  613   3HG2  THR  93          3HG2      THR  93   5.366  13.705  -5.538
  614    H    GLY  94           H        GLY  94   7.006  12.732  -6.704
  615   1HA   GLY  94          2HA       GLY  94   8.933  13.624  -5.551
  616   2HA   GLY  94          1HA       GLY  94   8.968  12.217  -4.495
  617    H    ALA  95           H        ALA  95   8.469  10.545  -7.100
  618    HA   ALA  95           HA       ALA  95  11.279  10.705  -8.120
  619   1HB   ALA  95          1HB       ALA  95  11.023   8.795  -6.599
  620   2HB   ALA  95          2HB       ALA  95  11.252   8.246  -8.258
  621   3HB   ALA  95          3HB       ALA  95   9.642   8.220  -7.534
  622    H    SER  96           H        SER  96  11.534  10.110 -10.333
  623    HA   SER  96           HA       SER  96   9.733  11.037 -12.183
  624   1HB   SER  96          2HB       SER  96  11.425   8.535 -12.581
  625   2HB   SER  96          1HB       SER  96  10.825   9.616 -13.848
  626    HG   SER  96           HG       SER  96  13.055   9.977 -13.096
  627    H    GLY  97           H        GLY  97   7.677  10.453 -12.775
  628   1HA   GLY  97          2HA       GLY  97   5.758   9.143 -13.051
  629   2HA   GLY  97          1HA       GLY  97   6.807   7.722 -13.067
  630    H    ASN  98           H        ASN  98   6.431  10.145 -10.488
  631    HA   ASN  98           HA       ASN  98   6.243   9.722  -8.195
  632   1HB   ASN  98          2HB       ASN  98   3.692   8.376  -8.462
  633   2HB   ASN  98          1HB       ASN  98   4.042   9.976  -7.941
  634   1HD2  ASN  98          1HD2      ASN  98   3.481   8.089 -10.876
  635   2HD2  ASN  98          2HD2      ASN  98   2.986   9.465 -11.792
  636    H    ASN  99           H        ASN  99   7.949   7.793  -8.968
  637    HA   ASN  99           HA       ASN  99   7.088   5.103  -8.741
  638   1HB   ASN  99          2HB       ASN  99   9.533   6.339  -9.116
  639   2HB   ASN  99          1HB       ASN  99   9.728   5.696  -7.483
  640   1HD2  ASN  99          1HD2      ASN  99   9.424   4.846 -10.857
  641   2HD2  ASN  99          2HD2      ASN  99   9.657   3.154 -10.620
  642    H    PHE 100           H        PHE 100   7.657   3.660  -6.790
  643    HA   PHE 100           HA       PHE 100   6.407   4.898  -4.409
  644   1HB   PHE 100          2HB       PHE 100   7.288   2.047  -4.281
  645   2HB   PHE 100          1HB       PHE 100   5.809   2.841  -3.792
  646    HD1  PHE 100           1HD      PHE 100   4.049   3.485  -5.398
  647    HD2  PHE 100           2HD      PHE 100   7.430   1.077  -6.467
  648    HE1  PHE 100           1HE      PHE 100   2.863   2.729  -7.439
  649    HE2  PHE 100           2HE      PHE 100   6.244   0.301  -8.505
  650    HZ   PHE 100           HZ       PHE 100   3.961   1.136  -8.992
  651    H    VAL 101           H        VAL 101   7.659   5.730  -2.826
  652    HA   VAL 101           HA       VAL 101  10.289   4.488  -2.259
  653    HB   VAL 101           HB       VAL 101  10.933   7.033  -1.728
  654   1HG1  VAL 101          1HG1      VAL 101  11.033   5.539  -4.348
  655   2HG1  VAL 101          2HG1      VAL 101  12.311   5.766  -3.155
  656   3HG1  VAL 101          3HG1      VAL 101  11.805   7.112  -4.143
  657   1HG2  VAL 101          1HG2      VAL 101   8.982   7.222  -4.059
  658   2HG2  VAL 101          2HG2      VAL 101   9.994   8.510  -3.421
  659   3HG2  VAL 101          3HG2      VAL 101   8.714   7.855  -2.435
  660    H    GLU 102           H        GLU 102  10.950   4.732  -0.022
  661    HA   GLU 102           HA       GLU 102   8.846   4.521   1.846
  662   1HB   GLU 102          2HB       GLU 102  10.611   4.873   3.583
  663   2HB   GLU 102          1HB       GLU 102  11.054   3.676   2.371
  664   1HG   GLU 102          2HG       GLU 102  12.758   4.867   1.560
  665   2HG   GLU 102          1HG       GLU 102  11.898   6.396   1.595
  666    H    CYS 103           H        CYS 103   7.641   6.043   2.905
  667    HA   CYS 103           HA       CYS 103   7.572   8.741   2.096
  668   1HB   CYS 103          2HB       CYS 103   6.675   7.400   4.677
  669   2HB   CYS 103          1HB       CYS 103   6.289   9.085   4.283
  670    H    THR 104           H        THR 104   8.405  10.677   3.037
  671    HA   THR 104           HA       THR 104  10.371  10.375   5.255
  672    HB   THR 104           HB       THR 104  11.687  12.108   3.485
  673    HG1  THR 104           1HG      THR 104  10.866   9.854   1.948
  674   1HG2  THR 104          1HG2      THR 104  12.074   9.119   3.783
  675   2HG2  THR 104          2HG2      THR 104  12.694  10.342   4.895
  676   3HG2  THR 104          3HG2      THR 104  13.277  10.289   3.233
  Start of MODEL    4
    1   1H    ALA   1          1HT       ALA   1  -1.180  11.941  15.960
    2   2H    ALA   1          2HT       ALA   1   0.385  12.638  15.796
    3   3H    ALA   1          3HT       ALA   1  -0.310  12.451  17.350
    4    HA   ALA   1           HA       ALA   1   1.366  10.798  16.974
    5   1HB   ALA   1          1HB       ALA   1  -1.465   9.707  16.939
    6   2HB   ALA   1          2HB       ALA   1  -0.576  10.240  18.366
    7   3HB   ALA   1          3HB       ALA   1  -0.030   8.824  17.470
    8    H    CYS   2           H        CYS   2   2.457   9.680  15.395
    9    HA   CYS   2           HA       CYS   2   1.437   8.057  13.473
   10   1HB   CYS   2          2HB       CYS   2   1.608   9.661  11.407
   11   2HB   CYS   2          1HB       CYS   2   0.133   9.647  12.369
   12    H    ASP   3           H        ASP   3   3.178   6.929  12.706
   13    HA   ASP   3           HA       ASP   3   5.818   8.283  12.855
   14   1HB   ASP   3          2HB       ASP   3   5.298   5.937  13.859
   15   2HB   ASP   3          1HB       ASP   3   5.364   5.350  12.193
   16    H    TYR   4           H        TYR   4   3.524   6.885  10.573
   17    HA   TYR   4           HA       TYR   4   5.448   7.169   8.334
   18   1HB   TYR   4          2HB       TYR   4   2.694   5.968   8.686
   19   2HB   TYR   4          1HB       TYR   4   3.240   6.412   7.068
   20    HD1  TYR   4           1HD      TYR   4   5.686   5.649   6.456
   21    HD2  TYR   4           2HD      TYR   4   3.242   3.852   9.481
   22    HE1  TYR   4           1HE      TYR   4   7.020   3.564   6.290
   23    HE2  TYR   4           2HE      TYR   4   4.572   1.765   9.332
   24    HH   TYR   4           HH       TYR   4   7.431   1.462   8.231
   25    H    THR   5           H        THR   5   5.705   9.332   7.822
   26    HA   THR   5           HA       THR   5   3.180  10.873   7.294
   27    HB   THR   5           HB       THR   5   5.797  11.870   8.471
   28    HG1  THR   5           1HG      THR   5   4.533  11.095  10.091
   29   1HG2  THR   5          1HG2      THR   5   4.327  14.024   8.582
   30   2HG2  THR   5          2HG2      THR   5   3.445  13.299   7.243
   31   3HG2  THR   5          3HG2      THR   5   5.177  13.633   7.095
   32    H    CYS   6           H        CYS   6   3.014  11.440   5.195
   33    HA   CYS   6           HA       CYS   6   5.488  11.422   3.504
   34   1HB   CYS   6          2HB       CYS   6   2.536  11.262   2.814
   35   2HB   CYS   6          1HB       CYS   6   3.843  11.315   1.615
   36    H    GLY   7           H        GLY   7   4.226  13.578   5.296
   37   1HA   GLY   7          2HA       GLY   7   5.165  15.873   4.313
   38   2HA   GLY   7          1HA       GLY   7   3.661  15.737   3.400
   39    H    SER   8           H        SER   8   1.645  15.815   4.562
   40    HA   SER   8           HA       SER   8   1.842  16.602   7.443
   41   1HB   SER   8          2HB       SER   8   0.602  18.189   5.181
   42   2HB   SER   8          1HB       SER   8   0.081  18.412   6.857
   43    HG   SER   8           HG       SER   8   2.592  18.940   5.705
   44    H    ASN   9           H        ASN   9   1.006  14.095   6.430
   45    HA   ASN   9           HA       ASN   9  -1.983  14.224   6.648
   46   1HB   ASN   9          2HB       ASN   9  -0.497  11.684   5.995
   47   2HB   ASN   9          1HB       ASN   9  -2.076  12.269   5.454
   48   1HD2  ASN   9          1HD2      ASN   9   1.358  12.449   4.825
   49   2HD2  ASN   9          2HD2      ASN   9   1.198  13.299   3.334
   50    H    CYS  10           H        CYS  10   0.935  13.089   8.261
   51    HA   CYS  10           HA       CYS  10   1.234  12.158  10.307
   52   1HB   CYS  10          2HB       CYS  10  -0.187  14.067  11.040
   53   2HB   CYS  10          1HB       CYS  10  -1.632  13.082  10.807
   54    H    TYR  11           H        TYR  11   0.886  10.223   8.594
   55    HA   TYR  11           HA       TYR  11  -1.440   8.520   9.317
   56   1HB   TYR  11          2HB       TYR  11   0.823   8.314   7.308
   57   2HB   TYR  11          1HB       TYR  11  -0.181   6.914   7.683
   58    HD1  TYR  11           1HD      TYR  11  -1.894  10.095   8.001
   59    HD2  TYR  11           2HD      TYR  11  -0.741   7.035   5.212
   60    HE1  TYR  11           1HE      TYR  11  -3.572  10.913   6.447
   61    HE2  TYR  11           2HE      TYR  11  -2.463   7.869   3.630
   62    HH   TYR  11           HH       TYR  11  -3.705  10.530   3.457
   63    H    SER  12           H        SER  12  -1.286   7.372  11.172
   64    HA   SER  12           HA       SER  12   1.366   6.695  12.240
   65   1HB   SER  12          2HB       SER  12  -0.823   5.479  13.699
   66   2HB   SER  12          1HB       SER  12   0.283   6.742  14.227
   67    HG   SER  12           HG       SER  12  -1.988   7.350  14.109
   68    H    SER  13           H        SER  13   2.286   4.698  12.283
   69    HA   SER  13           HA       SER  13   1.671   2.788  10.343
   70   1HB   SER  13          2HB       SER  13   3.325   1.509  11.315
   71   2HB   SER  13          1HB       SER  13   3.640   2.996  12.212
   72    HG   SER  13           HG       SER  13   3.405   1.320  13.681
   73    H    SER  14           H        SER  14   0.069   3.345  13.399
   74    HA   SER  14           HA       SER  14  -1.226   0.748  13.500
   75   1HB   SER  14          2HB       SER  14  -1.655   3.381  14.933
   76   2HB   SER  14          1HB       SER  14  -2.708   1.985  15.207
   77    HG   SER  14           HG       SER  14  -1.033   0.866  16.051
   78    H    ASP  15           H        ASP  15  -2.140   4.019  12.394
   79    HA   ASP  15           HA       ASP  15  -4.838   3.229  11.692
   80   1HB   ASP  15          2HB       ASP  15  -3.710   5.641  12.032
   81   2HB   ASP  15          1HB       ASP  15  -3.463   5.523  10.286
   82    H    VAL  16           H        VAL  16  -1.713   3.141  10.136
   83    HA   VAL  16           HA       VAL  16  -2.639   2.807   7.442
   84    HB   VAL  16           HB       VAL  16  -0.103   1.706   8.717
   85   1HG1  VAL  16          1HG1      VAL  16  -0.627   0.756   6.488
   86   2HG1  VAL  16          2HG1      VAL  16   0.759   1.832   6.411
   87   3HG1  VAL  16          3HG1      VAL  16  -0.813   2.382   5.838
   88   1HG2  VAL  16          1HG2      VAL  16  -0.292   4.125   9.082
   89   2HG2  VAL  16          2HG2      VAL  16  -0.667   4.380   7.396
   90   3HG2  VAL  16          3HG2      VAL  16   0.926   3.801   7.874
   91    H    SER  17           H        SER  17  -2.454   0.693  10.224
   92    HA   SER  17           HA       SER  17  -2.545  -1.816   8.850
   93   1HB   SER  17          2HB       SER  17  -2.099  -1.287  11.368
   94   2HB   SER  17          1HB       SER  17  -3.857  -1.373  11.534
   95    HG   SER  17           HG       SER  17  -2.032  -3.386  10.771
   96    H    THR  18           H        THR  18  -5.105   0.327  10.146
   97    HA   THR  18           HA       THR  18  -7.289  -1.375   9.430
   98    HB   THR  18           HB       THR  18  -8.271   1.243   9.119
   99    HG1  THR  18           1HG      THR  18  -7.109   2.525  10.447
  100   1HG2  THR  18          1HG2      THR  18  -9.207  -0.521  10.554
  101   2HG2  THR  18          2HG2      THR  18  -9.021   0.998  11.428
  102   3HG2  THR  18          3HG2      THR  18  -7.869  -0.312  11.687
  103    H    ALA  19           H        ALA  19  -5.465   1.070   7.639
  104    HA   ALA  19           HA       ALA  19  -7.127   0.766   5.239
  105   1HB   ALA  19          1HB       ALA  19  -5.524   2.274   4.221
  106   2HB   ALA  19          2HB       ALA  19  -4.423   2.065   5.589
  107   3HB   ALA  19          3HB       ALA  19  -5.963   2.901   5.817
  108    H    GLN  20           H        GLN  20  -4.526  -0.916   6.710
  109    HA   GLN  20           HA       GLN  20  -3.430  -1.940   4.257
  110   1HB   GLN  20          2HB       GLN  20  -2.496  -1.795   6.887
  111   2HB   GLN  20          1HB       GLN  20  -2.814  -3.491   6.682
  112   1HG   GLN  20          2HG       GLN  20  -0.930  -1.745   5.168
  113   2HG   GLN  20          1HG       GLN  20  -0.612  -3.299   5.967
  114   1HE2  GLN  20          1HE2      GLN  20  -1.755  -1.797   3.037
  115   2HE2  GLN  20          2HE2      GLN  20  -2.027  -3.228   2.178
  116    H    ALA  21           H        ALA  21  -5.865  -2.839   6.575
  117    HA   ALA  21           HA       ALA  21  -6.102  -5.595   5.592
  118   1HB   ALA  21          1HB       ALA  21  -8.047  -5.698   7.100
  119   2HB   ALA  21          2HB       ALA  21  -7.897  -3.966   7.410
  120   3HB   ALA  21          3HB       ALA  21  -6.624  -5.067   7.928
  121    H    ALA  22           H        ALA  22  -7.160  -2.483   4.626
  122    HA   ALA  22           HA       ALA  22  -9.701  -3.230   3.467
  123   1HB   ALA  22          1HB       ALA  22  -9.525  -1.046   2.330
  124   2HB   ALA  22          2HB       ALA  22  -7.851  -0.899   2.864
  125   3HB   ALA  22          3HB       ALA  22  -9.158  -0.905   4.046
  126    H    GLY  23           H        GLY  23  -6.433  -2.636   2.079
  127   1HA   GLY  23          2HA       GLY  23  -7.239  -3.623  -0.558
  128   2HA   GLY  23          1HA       GLY  23  -5.605  -3.242  -0.039
  129    H    TYR  24           H        TYR  24  -5.781  -4.951   2.344
  130    HA   TYR  24           HA       TYR  24  -4.829  -7.385   1.106
  131   1HB   TYR  24          2HB       TYR  24  -3.815  -6.868   3.191
  132   2HB   TYR  24          1HB       TYR  24  -5.361  -6.492   3.934
  133    HD1  TYR  24           1HD      TYR  24  -4.249  -9.463   1.944
  134    HD2  TYR  24           2HD      TYR  24  -5.689  -7.952   5.699
  135    HE1  TYR  24           1HE      TYR  24  -4.426 -11.773   2.811
  136    HE2  TYR  24           2HE      TYR  24  -5.872 -10.269   6.561
  137    HH   TYR  24           HH       TYR  24  -4.478 -12.684   5.725
  138    H    GLN  25           H        GLN  25  -7.921  -6.295   2.385
  139    HA   GLN  25           HA       GLN  25  -9.076  -8.960   2.560
  140   1HB   GLN  25          2HB       GLN  25  -9.892  -6.286   3.218
  141   2HB   GLN  25          1HB       GLN  25 -11.102  -6.931   2.129
  142   1HG   GLN  25          2HG       GLN  25 -11.343  -8.925   3.527
  143   2HG   GLN  25          1HG       GLN  25 -10.119  -8.293   4.643
  144   1HE2  GLN  25          1HE2      GLN  25 -12.298  -8.633   6.013
  145   2HE2  GLN  25          2HE2      GLN  25 -13.243  -7.196   6.161
  146    H    LEU  26           H        LEU  26  -9.785  -6.237   0.329
  147    HA   LEU  26           HA       LEU  26 -11.254  -7.663  -1.548
  148   1HB   LEU  26          2HB       LEU  26  -9.904  -5.138  -1.459
  149   2HB   LEU  26          1HB       LEU  26  -9.379  -5.913  -2.953
  150    HG   LEU  26           HG       LEU  26 -11.653  -6.192  -3.710
  151   1HD1  LEU  26          1HD1      LEU  26 -12.951  -6.738  -1.853
  152   2HD1  LEU  26          2HD1      LEU  26 -13.459  -5.086  -2.144
  153   3HD1  LEU  26          3HD1      LEU  26 -12.296  -5.432  -0.865
  154   1HD2  LEU  26          1HD2      LEU  26 -11.066  -3.449  -2.561
  155   2HD2  LEU  26          2HD2      LEU  26 -12.420  -3.768  -3.641
  156   3HD2  LEU  26          3HD2      LEU  26 -10.773  -4.035  -4.198
  157    H    HIS  27           H        HIS  27  -7.766  -7.653  -1.099
  158    HA   HIS  27           HA       HIS  27  -7.116  -9.060  -3.499
  159   1HB   HIS  27          2HB       HIS  27  -5.332  -7.994  -2.302
  160   2HB   HIS  27          1HB       HIS  27  -5.732  -8.855  -0.807
  161    HD1  HIS  27           1HD      HIS  27  -5.583 -10.589  -4.155
  162    HD2  HIS  27           2HD      HIS  27  -3.306 -10.273  -0.671
  163    HE1  HIS  27           1HE      HIS  27  -3.788 -12.356  -4.312
  164    HE2  HIS  27           2HE      HIS  27  -2.710 -12.397  -2.035
  165    H    GLU  28           H        GLU  28  -7.347 -10.336  -0.149
  166    HA   GLU  28           HA       GLU  28  -7.461 -13.077  -1.206
  167   1HB   GLU  28          2HB       GLU  28  -6.505 -12.071   1.123
  168   2HB   GLU  28          1HB       GLU  28  -8.115 -12.508   1.665
  169   1HG   GLU  28          2HG       GLU  28  -7.320 -14.577   1.955
  170   2HG   GLU  28          1HG       GLU  28  -7.423 -14.751   0.199
  171    H    ASP  29           H        ASP  29  -9.728 -10.794  -1.341
  172    HA   ASP  29           HA       ASP  29 -11.938 -12.395  -0.229
  173   1HB   ASP  29          2HB       ASP  29 -11.787  -9.882   0.112
  174   2HB   ASP  29          1HB       ASP  29 -12.102  -9.687  -1.616
  175    H    GLY  30           H        GLY  30 -10.419 -11.589  -3.280
  176   1HA   GLY  30          2HA       GLY  30 -10.775 -12.749  -5.307
  177   2HA   GLY  30          1HA       GLY  30 -12.257 -13.450  -4.660
  178    H    GLU  31           H        GLU  31 -12.375 -10.201  -3.919
  179    HA   GLU  31           HA       GLU  31 -14.119  -9.698  -6.265
  180   1HB   GLU  31          2HB       GLU  31 -14.682  -9.323  -3.672
  181   2HB   GLU  31          1HB       GLU  31 -13.893  -7.781  -3.947
  182   1HG   GLU  31          2HG       GLU  31 -15.965  -7.145  -4.624
  183   2HG   GLU  31          1HG       GLU  31 -15.476  -7.859  -6.167
  184    H    THR  32           H        THR  32 -13.792  -6.714  -5.722
  185    HA   THR  32           HA       THR  32 -11.058  -6.060  -6.232
  186    HB   THR  32           HB       THR  32 -12.657  -5.376  -8.661
  187    HG1  THR  32           1HG      THR  32 -11.700  -8.013  -8.620
  188   1HG2  THR  32          1HG2      THR  32 -10.383  -4.832  -8.668
  189   2HG2  THR  32          2HG2      THR  32 -10.499  -6.251  -9.690
  190   3HG2  THR  32          3HG2      THR  32  -9.872  -6.398  -8.046
  191    H    VAL  33           H        VAL  33 -11.184  -3.661  -7.339
  192    HA   VAL  33           HA       VAL  33 -12.975  -2.149  -5.519
  193    HB   VAL  33           HB       VAL  33 -11.548  -0.176  -6.598
  194   1HG1  VAL  33          1HG1      VAL  33  -9.924  -0.446  -4.859
  195   2HG1  VAL  33          2HG1      VAL  33 -10.257  -2.159  -4.745
  196   3HG1  VAL  33          3HG1      VAL  33 -11.480  -1.002  -4.235
  197   1HG2  VAL  33          1HG2      VAL  33 -10.573  -1.913  -8.295
  198   2HG2  VAL  33          2HG2      VAL  33  -9.593  -2.427  -6.932
  199   3HG2  VAL  33          3HG2      VAL  33  -9.487  -0.774  -7.515
  200    H    GLY  34           H        GLY  34 -12.017  -0.575  -8.497
  201   1HA   GLY  34          2HA       GLY  34 -14.859  -0.425  -9.274
  202   2HA   GLY  34          1HA       GLY  34 -13.538   0.572  -9.877
  203    H    SER  35           H        SER  35 -13.233  -2.934  -9.635
  204    HA   SER  35           HA       SER  35 -13.210  -4.572 -11.271
  205   1HB   SER  35          2HB       SER  35 -13.907  -2.592 -13.444
  206   2HB   SER  35          1HB       SER  35 -14.392  -4.276 -13.247
  207    HG   SER  35           HG       SER  35 -15.897  -3.711 -11.782
  208    H    ASN  36           H        ASN  36 -11.288  -1.934 -10.955
  209    HA   ASN  36           HA       ASN  36  -9.608  -2.418 -13.340
  210   1HB   ASN  36          2HB       ASN  36  -8.779  -0.506 -11.192
  211   2HB   ASN  36          1HB       ASN  36  -8.714  -0.347 -12.952
  212   1HD2  ASN  36          1HD2      ASN  36 -10.385   0.679 -10.207
  213   2HD2  ASN  36          2HD2      ASN  36 -11.789   1.278 -11.017
  214    H    SER  37           H        SER  37  -9.820  -3.282  -9.972
  215    HA   SER  37           HA       SER  37  -8.466  -4.790  -8.790
  216   1HB   SER  37          2HB       SER  37  -7.936  -5.558 -11.302
  217   2HB   SER  37          1HB       SER  37  -6.355  -4.873 -10.913
  218    HG   SER  37           HG       SER  37  -6.125  -6.323  -9.292
  219    H    TYR  38           H        TYR  38  -7.957  -3.181  -7.274
  220    HA   TYR  38           HA       TYR  38  -5.730  -1.381  -7.849
  221   1HB   TYR  38          2HB       TYR  38  -7.942  -1.209  -6.159
  222   2HB   TYR  38          1HB       TYR  38  -6.613  -1.429  -5.038
  223    HD1  TYR  38           1HD      TYR  38  -8.449   1.084  -6.045
  224    HD2  TYR  38           2HD      TYR  38  -4.362  -0.169  -6.458
  225    HE1  TYR  38           1HE      TYR  38  -7.751   3.438  -6.378
  226    HE2  TYR  38           2HE      TYR  38  -3.685   2.175  -6.783
  227    HH   TYR  38           HH       TYR  38  -5.347   4.737  -5.942
  228    HA   PRO  39           HA       PRO  39  -3.691  -4.018  -4.473
  229   1HB   PRO  39          2HB       PRO  39  -4.740  -6.479  -3.964
  230   2HB   PRO  39          1HB       PRO  39  -5.147  -5.014  -3.073
  231   1HG   PRO  39          2HG       PRO  39  -6.769  -6.469  -5.121
  232   2HG   PRO  39          1HG       PRO  39  -7.318  -5.454  -3.776
  233   1HD   PRO  39          2HD       PRO  39  -7.145  -4.723  -6.486
  234   2HD   PRO  39          1HD       PRO  39  -7.420  -3.602  -5.137
  235    H    HIS  40           H        HIS  40  -2.022  -4.369  -5.749
  236    HA   HIS  40           HA       HIS  40  -2.035  -6.737  -7.584
  237   1HB   HIS  40          2HB       HIS  40  -0.098  -5.091  -8.703
  238   2HB   HIS  40          1HB       HIS  40  -1.770  -5.227  -9.266
  239    HD1  HIS  40           1HD      HIS  40  -0.496  -3.509  -6.172
  240    HD2  HIS  40           2HD      HIS  40  -2.460  -2.573  -9.715
  241    HE1  HIS  40           1HE      HIS  40  -1.348  -1.150  -5.905
  242    HE2  HIS  40           2HE      HIS  40  -2.734  -0.671  -7.951
  243    H    LYS  41           H        LYS  41  -0.551  -8.210  -7.028
  244    HA   LYS  41           HA       LYS  41   1.113  -8.045  -4.826
  245   1HB   LYS  41          2HB       LYS  41   2.113 -10.066  -5.535
  246   2HB   LYS  41          1HB       LYS  41   0.530 -10.083  -6.305
  247   1HG   LYS  41          2HG       LYS  41   1.756 -10.558  -8.131
  248   2HG   LYS  41          1HG       LYS  41   1.800  -8.816  -8.270
  249   1HD   LYS  41          2HD       LYS  41   4.059  -9.156  -8.374
  250   2HD   LYS  41          1HD       LYS  41   3.961  -9.215  -6.614
  251   1HE   LYS  41          2HE       LYS  41   4.323 -11.433  -6.514
  252   2HE   LYS  41          1HE       LYS  41   3.378 -11.791  -7.964
  253   1HZ   LYS  41          1HZ       LYS  41   6.152 -10.765  -7.837
  254   2HZ   LYS  41          2HZ       LYS  41   5.254 -10.791  -9.269
  255   3HZ   LYS  41          3HZ       LYS  41   5.622 -12.233  -8.469
  256    H    TYR  42           H        TYR  42   2.913  -6.917  -4.339
  257    HA   TYR  42           HA       TYR  42   4.310  -5.495  -6.485
  258   1HB   TYR  42          2HB       TYR  42   3.681  -4.617  -4.035
  259   2HB   TYR  42          1HB       TYR  42   5.175  -5.380  -3.605
  260    HD1  TYR  42           1HD      TYR  42   6.653  -3.680  -3.145
  261    HD2  TYR  42           2HD      TYR  42   4.371  -3.601  -6.778
  262    HE1  TYR  42           1HE      TYR  42   7.964  -1.736  -3.943
  263    HE2  TYR  42           2HE      TYR  42   5.653  -1.669  -7.565
  264    HH   TYR  42           HH       TYR  42   8.561  -0.603  -6.037
  265    H    ASN  43           H        ASN  43   6.671  -5.596  -6.623
  266    HA   ASN  43           HA       ASN  43   8.143  -7.704  -5.301
  267   1HB   ASN  43          2HB       ASN  43   6.596  -8.818  -7.180
  268   2HB   ASN  43          1HB       ASN  43   7.851  -8.236  -8.272
  269   1HD2  ASN  43          1HD2      ASN  43   9.975  -8.585  -6.116
  270   2HD2  ASN  43          2HD2      ASN  43  10.196 -10.274  -6.058
  271    H    ASN  44           H        ASN  44   8.393  -4.901  -5.837
  272    HA   ASN  44           HA       ASN  44  10.465  -4.656  -7.935
  273   1HB   ASN  44          2HB       ASN  44   8.763  -2.859  -6.345
  274   2HB   ASN  44          1HB       ASN  44  10.318  -2.186  -6.713
  275   1HD2  ASN  44          1HD2      ASN  44   9.214  -0.642  -8.138
  276   2HD2  ASN  44          2HD2      ASN  44   8.690  -1.172  -9.696
  277    H    TYR  45           H        TYR  45  12.199  -2.886  -6.991
  278    HA   TYR  45           HA       TYR  45  13.200  -3.609  -4.324
  279   1HB   TYR  45          2HB       TYR  45  15.190  -4.089  -6.531
  280   2HB   TYR  45          1HB       TYR  45  15.052  -4.854  -4.941
  281    HD1  TYR  45           1HD      TYR  45  13.815  -6.867  -4.639
  282    HD2  TYR  45           2HD      TYR  45  13.587  -4.718  -8.349
  283    HE1  TYR  45           1HE      TYR  45  12.623  -8.781  -5.672
  284    HE2  TYR  45           2HE      TYR  45  12.397  -6.629  -9.387
  285    HH   TYR  45           HH       TYR  45  12.412  -9.524  -8.517
  286    H    GLU  46           H        GLU  46  12.362  -1.256  -6.029
  287    HA   GLU  46           HA       GLU  46  14.239   0.383  -7.027
  288   1HB   GLU  46          2HB       GLU  46  11.700   0.700  -5.980
  289   2HB   GLU  46          1HB       GLU  46  12.627   1.729  -4.905
  290   1HG   GLU  46          2HG       GLU  46  13.335   2.005  -7.771
  291   2HG   GLU  46          1HG       GLU  46  11.674   2.433  -7.357
  292    H    GLY  47           H        GLY  47  13.548   0.541  -3.509
  293   1HA   GLY  47          2HA       GLY  47  16.366   0.390  -2.806
  294   2HA   GLY  47          1HA       GLY  47  15.753   2.046  -2.729
  295    H    PHE  48           H        PHE  48  14.027  -0.983  -1.964
  296    HA   PHE  48           HA       PHE  48  13.453   0.162   0.736
  297   1HB   PHE  48          2HB       PHE  48  12.158  -2.223  -0.646
  298   2HB   PHE  48          1HB       PHE  48  11.648  -1.388   0.818
  299    HD1  PHE  48           1HD      PHE  48  10.656   0.842   0.751
  300    HD2  PHE  48           2HD      PHE  48  11.786  -1.229  -2.831
  301    HE1  PHE  48           1HE      PHE  48   9.369   2.458  -0.604
  302    HE2  PHE  48           2HE      PHE  48  10.465   0.380  -4.181
  303    HZ   PHE  48           HZ       PHE  48   9.242   2.203  -3.054
  304    H    ASP  49           H        ASP  49  13.618  -1.305   2.594
  305    HA   ASP  49           HA       ASP  49  15.578  -3.537   2.132
  306   1HB   ASP  49          2HB       ASP  49  16.552  -2.943   4.363
  307   2HB   ASP  49          1HB       ASP  49  16.744  -1.656   3.168
  308    H    PHE  50           H        PHE  50  12.476  -3.077   2.760
  309    HA   PHE  50           HA       PHE  50  12.195  -4.593   5.239
  310   1HB   PHE  50          2HB       PHE  50   9.746  -4.650   4.570
  311   2HB   PHE  50          1HB       PHE  50  10.439  -3.030   4.710
  312    HD1  PHE  50           1HD      PHE  50   9.870  -1.542   3.039
  313    HD2  PHE  50           2HD      PHE  50  10.129  -5.713   2.078
  314    HE1  PHE  50           1HE      PHE  50   9.175  -1.067   0.711
  315    HE2  PHE  50           2HE      PHE  50   9.506  -5.204  -0.262
  316    HZ   PHE  50           HZ       PHE  50   9.000  -2.902  -0.942
  317    H    SER  51           H        SER  51  10.954  -6.705   5.231
  318    HA   SER  51           HA       SER  51  11.330  -8.303   2.744
  319   1HB   SER  51          2HB       SER  51  13.411  -8.570   4.103
  320   2HB   SER  51          1HB       SER  51  12.430  -9.157   5.451
  321    HG   SER  51           HG       SER  51  12.926 -10.365   2.950
  322    H    VAL  52           H        VAL  52   8.964  -7.290   4.123
  323    HA   VAL  52           HA       VAL  52   7.665  -9.021   5.849
  324    HB   VAL  52           HB       VAL  52   6.552  -7.632   3.394
  325   1HG1  VAL  52          1HG1      VAL  52   5.119  -9.550   4.096
  326   2HG1  VAL  52          2HG1      VAL  52   4.343  -8.002   4.348
  327   3HG1  VAL  52          3HG1      VAL  52   5.052  -8.870   5.707
  328   1HG2  VAL  52          1HG2      VAL  52   5.679  -6.066   5.115
  329   2HG2  VAL  52          2HG2      VAL  52   7.439  -6.112   5.084
  330   3HG2  VAL  52          3HG2      VAL  52   6.553  -6.959   6.350
  331    H    SER  53           H        SER  53   7.986  -9.407   2.303
  332    HA   SER  53           HA       SER  53   8.306 -12.187   2.344
  333   1HB   SER  53          2HB       SER  53   5.614 -11.513   3.024
  334   2HB   SER  53          1HB       SER  53   5.565 -12.108   1.389
  335    HG   SER  53           HG       SER  53   6.467 -13.413   3.705
  336    H    SER  54           H        SER  54   8.200 -13.128   0.176
  337    HA   SER  54           HA       SER  54   9.007 -11.354  -1.886
  338   1HB   SER  54          2HB       SER  54   7.740 -13.860  -2.851
  339   2HB   SER  54          1HB       SER  54   9.366 -13.239  -3.061
  340    HG   SER  54           HG       SER  54  10.001 -14.110  -1.184
  341    HA   PRO  55           HA       PRO  55   4.589 -11.761  -3.691
  342   1HB   PRO  55          2HB       PRO  55   2.678 -12.929  -2.114
  343   2HB   PRO  55          1HB       PRO  55   3.704 -13.811  -3.239
  344   1HG   PRO  55          2HG       PRO  55   3.875 -13.687  -0.255
  345   2HG   PRO  55          1HG       PRO  55   4.358 -14.995  -1.350
  346   1HD   PRO  55          2HD       PRO  55   6.059 -13.151  -0.141
  347   2HD   PRO  55          1HD       PRO  55   6.477 -14.215  -1.458
  348    H    TYR  56           H        TYR  56   4.998  -9.507  -3.120
  349    HA   TYR  56           HA       TYR  56   3.823  -8.412  -0.687
  350   1HB   TYR  56          2HB       TYR  56   4.973  -7.213  -3.167
  351   2HB   TYR  56          1HB       TYR  56   4.331  -6.184  -1.915
  352    HD1  TYR  56           1HD      TYR  56   5.171  -6.928   0.542
  353    HD2  TYR  56           2HD      TYR  56   7.254  -7.521  -3.164
  354    HE1  TYR  56           1HE      TYR  56   7.329  -7.019   1.759
  355    HE2  TYR  56           2HE      TYR  56   9.407  -7.623  -1.944
  356    HH   TYR  56           HH       TYR  56   9.844  -8.278   1.008
  357    H    TYR  57           H        TYR  57   2.464  -6.206  -1.370
  358    HA   TYR  57           HA       TYR  57   0.535  -6.560  -3.491
  359   1HB   TYR  57          2HB       TYR  57  -0.245  -7.069  -0.616
  360   2HB   TYR  57          1HB       TYR  57  -1.447  -6.674  -1.876
  361    HD1  TYR  57           1HD      TYR  57  -0.812  -8.071  -4.175
  362    HD2  TYR  57           2HD      TYR  57  -0.243  -9.299  -0.135
  363    HE1  TYR  57           1HE      TYR  57  -0.808 -10.440  -4.907
  364    HE2  TYR  57           2HE      TYR  57  -0.246 -11.696  -0.854
  365    HH   TYR  57           HH       TYR  57  -0.807 -13.123  -2.615
  366    H    GLU  58           H        GLU  58   0.244  -4.500  -4.152
  367    HA   GLU  58           HA       GLU  58   0.639  -2.308  -2.171
  368   1HB   GLU  58          2HB       GLU  58   0.162  -1.835  -5.072
  369   2HB   GLU  58          1HB       GLU  58   1.104  -0.910  -3.953
  370   1HG   GLU  58          2HG       GLU  58   2.937  -1.965  -4.597
  371   2HG   GLU  58          1HG       GLU  58   2.273  -3.493  -4.053
  372    H    TRP  59           H        TRP  59  -0.891  -0.767  -1.757
  373    HA   TRP  59           HA       TRP  59  -3.477  -0.761  -3.095
  374   1HB   TRP  59          2HB       TRP  59  -4.047  -2.559  -1.665
  375   2HB   TRP  59          1HB       TRP  59  -3.110  -1.908  -0.315
  376    HD1  TRP  59           HD       TRP  59  -4.180   0.041   1.096
  377    HE1  TRP  59           1HE      TRP  59  -6.617   0.790   1.418
  378    HE3  TRP  59           3HE      TRP  59  -6.344  -2.329  -2.885
  379    HZ2  TRP  59           2HZ      TRP  59  -9.154   0.414   0.128
  380    HZ3  TRP  59           3HZ      TRP  59  -8.767  -2.117  -3.292
  381    HH2  TRP  59           HH       TRP  59 -10.186  -0.754  -1.810
  382    HA   PRO  60           HA       PRO  60  -2.882   3.425  -1.776
  383   1HB   PRO  60          2HB       PRO  60  -5.465   4.339  -2.027
  384   2HB   PRO  60          1HB       PRO  60  -4.354   4.088  -3.373
  385   1HG   PRO  60          2HG       PRO  60  -6.599   2.331  -2.450
  386   2HG   PRO  60          1HG       PRO  60  -6.048   2.628  -4.078
  387   1HD   PRO  60          2HD       PRO  60  -5.466   0.378  -2.667
  388   2HD   PRO  60          1HD       PRO  60  -4.463   0.959  -3.954
  389    H    ILE  61           H        ILE  61  -2.883   4.514   0.110
  390    HA   ILE  61           HA       ILE  61  -4.540   3.408   2.351
  391    HB   ILE  61           HB       ILE  61  -2.348   3.069   3.029
  392   1HG1  ILE  61          2HG1      ILE  61  -1.760   4.767   4.679
  393   2HG1  ILE  61          1HG1      ILE  61  -2.760   5.955   3.870
  394   1HG2  ILE  61          1HG2      ILE  61  -1.162   3.939   1.164
  395   2HG2  ILE  61          2HG2      ILE  61  -0.529   4.797   2.556
  396   3HG2  ILE  61          3HG2      ILE  61  -1.686   5.595   1.492
  397   1HD1  ILE  61          1HD1      ILE  61  -4.389   5.320   5.232
  398   2HD1  ILE  61          2HD1      ILE  61  -3.509   3.912   5.752
  399   3HD1  ILE  61          3HD1      ILE  61  -4.497   3.850   4.324
  400    H    LEU  62           H        LEU  62  -5.973   4.809   3.338
  401    HA   LEU  62           HA       LEU  62  -5.698   7.736   2.730
  402   1HB   LEU  62          2HB       LEU  62  -8.421   6.646   3.261
  403   2HB   LEU  62          1HB       LEU  62  -7.885   7.878   2.108
  404    HG   LEU  62           HG       LEU  62  -7.579   4.869   1.784
  405   1HD1  LEU  62          1HD1      LEU  62  -9.140   5.069   0.060
  406   2HD1  LEU  62          2HD1      LEU  62  -9.129   6.835   0.090
  407   3HD1  LEU  62          3HD1      LEU  62  -9.858   5.921   1.408
  408   1HD2  LEU  62          1HD2      LEU  62  -7.007   6.257  -0.605
  409   2HD2  LEU  62          2HD2      LEU  62  -5.897   5.341   0.367
  410   3HD2  LEU  62          3HD2      LEU  62  -6.070   7.082   0.622
  411    H    SER  63           H        SER  63  -6.987   9.062   4.385
  412    HA   SER  63           HA       SER  63  -6.787   7.770   7.093
  413   1HB   SER  63          2HB       SER  63  -6.323  10.264   7.805
  414   2HB   SER  63          1HB       SER  63  -5.035   9.297   7.113
  415    HG   SER  63           HG       SER  63  -5.672  11.562   6.208
  416    H    SER  64           H        SER  64  -9.098   8.090   5.205
  417    HA   SER  64           HA       SER  64 -10.829   9.768   6.989
  418   1HB   SER  64          2HB       SER  64 -10.336  10.146   4.269
  419   2HB   SER  64          1HB       SER  64 -11.870   9.270   4.282
  420    HG   SER  64           HG       SER  64 -11.226  11.759   5.438
  421    H    GLY  65           H        GLY  65 -10.169   6.633   5.773
  422   1HA   GLY  65          2HA       GLY  65 -11.232   4.627   6.281
  423   2HA   GLY  65          1HA       GLY  65 -12.439   5.526   7.202
  424    H    ASP  66           H        ASP  66 -11.669   6.289   3.842
  425    HA   ASP  66           HA       ASP  66 -14.460   5.497   3.139
  426   1HB   ASP  66          2HB       ASP  66 -13.418   7.888   2.749
  427   2HB   ASP  66          1HB       ASP  66 -12.659   7.133   1.342
  428    H    VAL  67           H        VAL  67 -11.341   4.271   2.942
  429    HA   VAL  67           HA       VAL  67 -10.375   2.631   1.636
  430    HB   VAL  67           HB       VAL  67 -13.181   1.970   0.671
  431   1HG1  VAL  67          1HG1      VAL  67 -11.459   0.601  -0.315
  432   2HG1  VAL  67          2HG1      VAL  67 -12.227  -0.357   0.930
  433   3HG1  VAL  67          3HG1      VAL  67 -10.668   0.386   1.243
  434   1HG2  VAL  67          1HG2      VAL  67 -13.442   2.286   3.040
  435   2HG2  VAL  67          2HG2      VAL  67 -11.924   1.460   3.383
  436   3HG2  VAL  67          3HG2      VAL  67 -13.305   0.557   2.766
  437    H    TYR  68           H        TYR  68 -10.099   1.933  -0.741
  438    HA   TYR  68           HA       TYR  68 -10.847   4.172  -2.538
  439   1HB   TYR  68          2HB       TYR  68  -8.286   2.995  -1.909
  440   2HB   TYR  68          1HB       TYR  68  -8.627   2.697  -3.622
  441    HD1  TYR  68           1HD      TYR  68  -9.848   5.577  -1.596
  442    HD2  TYR  68           2HD      TYR  68  -7.122   4.263  -4.606
  443    HE1  TYR  68           1HE      TYR  68  -9.266   7.915  -2.071
  444    HE2  TYR  68           2HE      TYR  68  -6.546   6.600  -5.129
  445    HH   TYR  68           HH       TYR  68  -6.768   8.979  -3.417
  446    H    SER  69           H        SER  69 -12.253   3.668  -4.074
  447    HA   SER  69           HA       SER  69 -12.146   0.958  -5.258
  448   1HB   SER  69          2HB       SER  69 -14.896   1.941  -4.915
  449   2HB   SER  69          1HB       SER  69 -14.206   0.351  -4.579
  450    HG   SER  69           HG       SER  69 -14.316   2.626  -2.931
  451    H    GLY  70           H        GLY  70 -11.102   2.252  -6.972
  452   1HA   GLY  70          2HA       GLY  70 -12.643   2.706  -9.217
  453   2HA   GLY  70          1HA       GLY  70 -12.721   4.260  -8.382
  454    H    GLY  71           H        GLY  71  -9.928   2.042  -8.457
  455   1HA   GLY  71          2HA       GLY  71  -7.698   2.570  -8.971
  456   2HA   GLY  71          1HA       GLY  71  -8.414   3.026 -10.511
  457    H    SER  72           H        SER  72  -7.066   4.842 -10.878
  458    HA   SER  72           HA       SER  72  -6.516   7.103 -10.736
  459   1HB   SER  72          2HB       SER  72  -9.084   7.160 -10.298
  460   2HB   SER  72          1HB       SER  72  -8.648   7.502  -8.625
  461    HG   SER  72           HG       SER  72  -7.671   9.361  -9.253
  462    HA   PRO  73           HA       PRO  73  -4.291   6.194  -6.743
  463   1HB   PRO  73          2HB       PRO  73  -1.814   5.996  -7.881
  464   2HB   PRO  73          1HB       PRO  73  -2.915   4.632  -7.715
  465   1HG   PRO  73          2HG       PRO  73  -2.223   6.192 -10.173
  466   2HG   PRO  73          1HG       PRO  73  -2.735   4.502 -10.029
  467   1HD   PRO  73          2HD       PRO  73  -4.373   6.678 -10.813
  468   2HD   PRO  73          1HD       PRO  73  -4.925   5.058 -10.353
  469    H    GLY  74           H        GLY  74  -2.112   7.421  -6.077
  470   1HA   GLY  74          2HA       GLY  74  -1.405   9.874  -7.287
  471   2HA   GLY  74          1HA       GLY  74  -2.752  10.233  -6.204
  472    H    ALA  75           H        ALA  75   0.487   8.714  -6.260
  473    HA   ALA  75           HA       ALA  75   2.139   8.794  -4.625
  474   1HB   ALA  75          1HB       ALA  75   0.567  10.683  -2.940
  475   2HB   ALA  75          2HB       ALA  75   1.172  11.205  -4.499
  476   3HB   ALA  75          3HB       ALA  75   2.285  10.650  -3.286
  477    H    ASP  76           H        ASP  76   1.407   9.305  -1.712
  478    HA   ASP  76           HA       ASP  76   1.365   7.605  -0.034
  479   1HB   ASP  76          2HB       ASP  76  -1.485   8.361  -0.759
  480   2HB   ASP  76          1HB       ASP  76  -0.971   7.706   0.804
  481    H    ARG  77           H        ARG  77   1.727   5.437  -0.132
  482    HA   ARG  77           HA       ARG  77  -0.457   3.653  -0.833
  483   1HB   ARG  77          2HB       ARG  77   1.441   4.373  -2.886
  484   2HB   ARG  77          1HB       ARG  77   1.693   2.673  -2.487
  485   1HG   ARG  77          2HG       ARG  77  -0.403   2.028  -3.147
  486   2HG   ARG  77          1HG       ARG  77  -1.128   3.599  -2.821
  487   1HD   ARG  77          2HD       ARG  77  -0.955   4.141  -4.951
  488   2HD   ARG  77          1HD       ARG  77   0.807   4.068  -4.840
  489    HE   ARG  77           HE       ARG  77  -0.200   1.448  -5.073
  490   1HH1  ARG  77          1HH1      ARG  77   0.960   3.683  -7.303
  491   2HH1  ARG  77          2HH1      ARG  77  -0.100   3.219  -8.589
  492   1HH2  ARG  77          1HH2      ARG  77  -1.987   1.092  -6.582
  493   2HH2  ARG  77          2HH2      ARG  77  -1.793   1.756  -8.172
  494    H    VAL  78           H        VAL  78  -0.254   1.872   0.482
  495    HA   VAL  78           HA       VAL  78   2.486   1.341   1.583
  496    HB   VAL  78           HB       VAL  78   0.643   2.203   3.172
  497   1HG1  VAL  78          1HG1      VAL  78  -0.284  -0.664   3.076
  498   2HG1  VAL  78          2HG1      VAL  78  -1.071   0.576   2.098
  499   3HG1  VAL  78          3HG1      VAL  78  -1.051   0.713   3.854
  500   1HG2  VAL  78          1HG2      VAL  78   1.337   0.585   4.907
  501   2HG2  VAL  78          2HG2      VAL  78   2.665   1.214   4.018
  502   3HG2  VAL  78          3HG2      VAL  78   2.084  -0.419   3.690
  503    H    VAL  79           H        VAL  79   3.212  -0.791   1.529
  504    HA   VAL  79           HA       VAL  79   1.466  -2.667   0.000
  505    HB   VAL  79           HB       VAL  79   4.204  -3.620   0.262
  506   1HG1  VAL  79          1HG1      VAL  79   2.358  -2.857  -1.968
  507   2HG1  VAL  79          2HG1      VAL  79   2.871  -4.442  -1.472
  508   3HG1  VAL  79          3HG1      VAL  79   3.988  -3.384  -2.272
  509   1HG2  VAL  79          1HG2      VAL  79   4.901  -1.330   0.484
  510   2HG2  VAL  79          2HG2      VAL  79   3.812  -0.827  -0.807
  511   3HG2  VAL  79          3HG2      VAL  79   5.213  -1.833  -1.175
  512    H    PHE  80           H        PHE  80   2.382  -5.041   0.487
  513    HA   PHE  80           HA       PHE  80   3.002  -5.707   3.172
  514   1HB   PHE  80          2HB       PHE  80   0.772  -6.361   3.961
  515   2HB   PHE  80          1HB       PHE  80   0.759  -4.661   3.565
  516    HD1  PHE  80           1HD      PHE  80  -0.739  -7.820   2.950
  517    HD2  PHE  80           2HD      PHE  80  -0.067  -3.961   1.210
  518    HE1  PHE  80           1HE      PHE  80  -2.592  -8.212   1.354
  519    HE2  PHE  80           2HE      PHE  80  -1.898  -4.350  -0.391
  520    HZ   PHE  80           HZ       PHE  80  -3.179  -6.474  -0.315
  521    H    ASN  81           H        ASN  81   1.727  -8.151   3.423
  522    HA   ASN  81           HA       ASN  81   2.302  -9.478   0.797
  523   1HB   ASN  81          2HB       ASN  81   3.418 -11.243   1.872
  524   2HB   ASN  81          1HB       ASN  81   4.009  -9.817   2.695
  525   1HD2  ASN  81          1HD2      ASN  81   2.685  -9.247   4.770
  526   2HD2  ASN  81          2HD2      ASN  81   2.178 -10.590   5.697
  527    H    GLU  82           H        GLU  82   0.415  -9.604   3.786
  528    HA   GLU  82           HA       GLU  82  -2.015 -10.241   2.799
  529   1HB   GLU  82          2HB       GLU  82  -2.085 -12.809   3.035
  530   2HB   GLU  82          1HB       GLU  82  -1.320 -12.187   1.581
  531   1HG   GLU  82          2HG       GLU  82   0.875 -12.608   2.422
  532   2HG   GLU  82          1HG       GLU  82   0.276 -12.834   4.067
  533    H    ASN  83           H        ASN  83   0.390 -10.946   5.202
  534    HA   ASN  83           HA       ASN  83  -1.577 -11.654   7.236
  535   1HB   ASN  83          2HB       ASN  83   1.288 -11.946   6.916
  536   2HB   ASN  83          1HB       ASN  83   0.969 -11.098   8.428
  537   1HD2  ASN  83          1HD2      ASN  83   0.561 -14.131   6.725
  538   2HD2  ASN  83          2HD2      ASN  83  -0.052 -14.990   8.093
  539    H    ASN  84           H        ASN  84  -0.507  -8.788   5.836
  540    HA   ASN  84           HA       ASN  84  -0.989  -6.614   6.404
  541   1HB   ASN  84          2HB       ASN  84  -2.927  -7.834   7.722
  542   2HB   ASN  84          1HB       ASN  84  -1.957  -7.452   9.150
  543   1HD2  ASN  84          1HD2      ASN  84  -4.533  -6.291   7.634
  544   2HD2  ASN  84          2HD2      ASN  84  -4.270  -4.599   7.852
  545    H    GLN  85           H        GLN  85   1.523  -7.993   7.014
  546    HA   GLN  85           HA       GLN  85   2.475  -7.006   9.601
  547   1HB   GLN  85          2HB       GLN  85   4.483  -7.588   7.460
  548   2HB   GLN  85          1HB       GLN  85   4.412  -8.134   9.142
  549   1HG   GLN  85          2HG       GLN  85   2.253  -9.464   8.110
  550   2HG   GLN  85          1HG       GLN  85   3.315  -9.347   6.718
  551   1HE2  GLN  85          1HE2      GLN  85   4.711 -11.073   6.553
  552   2HE2  GLN  85          2HE2      GLN  85   5.291 -11.973   7.908
  553    H    LEU  86           H        LEU  86   2.219  -5.824   6.330
  554    HA   LEU  86           HA       LEU  86   2.371  -3.648   5.599
  555   1HB   LEU  86          2HB       LEU  86   2.112  -3.117   8.186
  556   2HB   LEU  86          1HB       LEU  86   3.844  -2.777   8.099
  557    HG   LEU  86           HG       LEU  86   2.726  -0.698   7.710
  558   1HD1  LEU  86          1HD1      LEU  86   4.654  -1.454   6.153
  559   2HD1  LEU  86          2HD1      LEU  86   3.688  -0.082   5.681
  560   3HD1  LEU  86          3HD1      LEU  86   3.388  -1.635   4.925
  561   1HD2  LEU  86          1HD2      LEU  86   0.569  -1.950   7.012
  562   2HD2  LEU  86          2HD2      LEU  86   1.226  -1.875   5.370
  563   3HD2  LEU  86          3HD2      LEU  86   0.925  -0.418   6.284
  564    H    ALA  87           H        ALA  87   3.848  -3.637   3.981
  565    HA   ALA  87           HA       ALA  87   6.646  -4.379   4.425
  566   1HB   ALA  87          1HB       ALA  87   6.904  -4.034   2.041
  567   2HB   ALA  87          2HB       ALA  87   5.347  -3.209   1.965
  568   3HB   ALA  87          3HB       ALA  87   5.413  -4.934   2.323
  569    H    GLY  88           H        GLY  88   4.849  -1.415   3.736
  570   1HA   GLY  88          2HA       GLY  88   6.384   0.348   5.221
  571   2HA   GLY  88          1HA       GLY  88   7.250   0.235   3.688
  572    H    VAL  89           H        VAL  89   6.241   2.685   4.342
  573    HA   VAL  89           HA       VAL  89   3.633   2.934   2.888
  574    HB   VAL  89           HB       VAL  89   5.194   4.822   4.641
  575   1HG1  VAL  89          1HG1      VAL  89   2.844   5.316   2.827
  576   2HG1  VAL  89          2HG1      VAL  89   4.292   6.291   3.032
  577   3HG1  VAL  89          3HG1      VAL  89   3.074   6.278   4.282
  578   1HG2  VAL  89          1HG2      VAL  89   3.866   3.174   5.879
  579   2HG2  VAL  89          2HG2      VAL  89   2.499   3.460   4.827
  580   3HG2  VAL  89          3HG2      VAL  89   2.995   4.703   5.932
  581    H    ILE  90           H        ILE  90   4.497   2.609   0.778
  582    HA   ILE  90           HA       ILE  90   6.559   4.489  -0.206
  583    HB   ILE  90           HB       ILE  90   6.444   3.217  -2.254
  584   1HG1  ILE  90          2HG1      ILE  90   4.036   1.934  -0.932
  585   2HG1  ILE  90          1HG1      ILE  90   4.093   2.701  -2.512
  586   1HG2  ILE  90          1HG2      ILE  90   6.304   1.211  -0.030
  587   2HG2  ILE  90          2HG2      ILE  90   7.596   2.386  -0.113
  588   3HG2  ILE  90          3HG2      ILE  90   7.371   1.235  -1.428
  589   1HD1  ILE  90          1HD1      ILE  90   5.516   0.860  -3.306
  590   2HD1  ILE  90          2HD1      ILE  90   4.024   0.259  -2.645
  591   3HD1  ILE  90          3HD1      ILE  90   5.503   0.154  -1.726
  592    H    THR  91           H        THR  91   6.106   6.126  -1.779
  593    HA   THR  91           HA       THR  91   3.183   6.614  -2.238
  594    HB   THR  91           HB       THR  91   4.140   8.229  -0.628
  595    HG1  THR  91           1HG      THR  91   3.385  10.021  -1.712
  596   1HG2  THR  91          1HG2      THR  91   5.954   9.099  -2.877
  597   2HG2  THR  91          2HG2      THR  91   6.502   8.082  -1.555
  598   3HG2  THR  91          3HG2      THR  91   5.918   9.703  -1.238
  599    H    HIS  92           H        HIS  92   2.591   6.950  -4.320
  600    HA   HIS  92           HA       HIS  92   4.638   6.796  -6.405
  601   1HB   HIS  92          2HB       HIS  92   1.856   6.104  -6.163
  602   2HB   HIS  92          1HB       HIS  92   1.979   7.249  -7.483
  603    HD1  HIS  92           1HD      HIS  92   4.744   4.857  -6.671
  604    HD2  HIS  92           2HD      HIS  92   1.654   5.187  -9.405
  605    HE1  HIS  92           1HE      HIS  92   5.363   3.381  -8.610
  606    HE2  HIS  92           2HE      HIS  92   3.224   3.184  -9.964
  607    H    THR  93           H        THR  93   5.574   8.901  -5.772
  608    HA   THR  93           HA       THR  93   4.826  10.967  -7.582
  609    HB   THR  93           HB       THR  93   3.713  11.229  -4.781
  610    HG1  THR  93           1HG      THR  93   2.681  11.811  -7.391
  611   1HG2  THR  93          1HG2      THR  93   3.298  13.668  -5.507
  612   2HG2  THR  93          2HG2      THR  93   4.633  13.433  -6.629
  613   3HG2  THR  93          3HG2      THR  93   4.891  13.256  -4.887
  614    H    GLY  94           H        GLY  94   6.399  10.084  -4.542
  615   1HA   GLY  94          2HA       GLY  94   8.178  12.327  -4.408
  616   2HA   GLY  94          1HA       GLY  94   8.404  10.778  -3.597
  617    H    ALA  95           H        ALA  95   8.013   9.786  -6.663
  618    HA   ALA  95           HA       ALA  95  10.800  10.377  -7.526
  619   1HB   ALA  95          1HB       ALA  95  11.285   8.330  -6.661
  620   2HB   ALA  95          2HB       ALA  95  10.655   7.775  -8.203
  621   3HB   ALA  95          3HB       ALA  95   9.630   7.757  -6.757
  622    H    SER  96           H        SER  96  10.722  11.049  -9.623
  623    HA   SER  96           HA       SER  96   9.828  11.467 -11.738
  624   1HB   SER  96          2HB       SER  96  10.108   8.628 -11.326
  625   2HB   SER  96          1HB       SER  96   8.709   8.885 -12.355
  626    HG   SER  96           HG       SER  96  10.557   8.799 -13.617
  627    H    GLY  97           H        GLY  97   7.579  10.453 -13.075
  628   1HA   GLY  97          2HA       GLY  97   5.466  11.995 -12.275
  629   2HA   GLY  97          1HA       GLY  97   5.226  10.434 -13.063
  630    H    ASN  98           H        ASN  98   5.546   8.503 -11.456
  631    HA   ASN  98           HA       ASN  98   4.781   9.123  -8.701
  632   1HB   ASN  98          2HB       ASN  98   2.860   7.202  -9.390
  633   2HB   ASN  98          1HB       ASN  98   2.550   8.871  -9.069
  634   1HD2  ASN  98          1HD2      ASN  98   1.130   9.517 -10.640
  635   2HD2  ASN  98          2HD2      ASN  98   1.353   9.194 -12.321
  636    H    ASN  99           H        ASN  99   6.753   8.032  -8.184
  637    HA   ASN  99           HA       ASN  99   6.751   5.097  -8.805
  638   1HB   ASN  99          2HB       ASN  99   8.791   6.943  -9.255
  639   2HB   ASN  99          1HB       ASN  99   9.235   6.196  -7.728
  640   1HD2  ASN  99          1HD2      ASN  99   9.294   5.748 -11.085
  641   2HD2  ASN  99          2HD2      ASN  99   9.741   4.080 -11.045
  642    H    PHE 100           H        PHE 100   6.905   3.692  -7.054
  643    HA   PHE 100           HA       PHE 100   6.112   4.788  -4.473
  644   1HB   PHE 100          2HB       PHE 100   7.057   1.955  -4.478
  645   2HB   PHE 100          1HB       PHE 100   5.603   2.718  -3.898
  646    HD1  PHE 100           1HD      PHE 100   7.189   1.422  -6.944
  647    HD2  PHE 100           2HD      PHE 100   3.576   2.803  -5.082
  648    HE1  PHE 100           1HE      PHE 100   5.870   0.519  -8.843
  649    HE2  PHE 100           2HE      PHE 100   2.265   1.930  -6.993
  650    HZ   PHE 100           HZ       PHE 100   3.405   0.789  -8.873
  651    H    VAL 101           H        VAL 101   7.401   5.111  -2.690
  652    HA   VAL 101           HA       VAL 101  10.100   4.013  -2.500
  653    HB   VAL 101           HB       VAL 101  11.209   6.241  -2.389
  654   1HG1  VAL 101          1HG1      VAL 101   9.860   6.009  -5.083
  655   2HG1  VAL 101          2HG1      VAL 101  10.969   4.760  -4.516
  656   3HG1  VAL 101          3HG1      VAL 101  11.525   6.406  -4.686
  657   1HG2  VAL 101          1HG2      VAL 101   8.534   7.211  -3.464
  658   2HG2  VAL 101          2HG2      VAL 101  10.003   8.173  -3.348
  659   3HG2  VAL 101          3HG2      VAL 101   9.219   7.601  -1.887
  660    H    GLU 102           H        GLU 102  10.844   4.139  -0.384
  661    HA   GLU 102           HA       GLU 102   9.064   4.187   1.739
  662   1HB   GLU 102          2HB       GLU 102  11.859   5.286   2.131
  663   2HB   GLU 102          1HB       GLU 102  10.904   4.276   3.211
  664   1HG   GLU 102          2HG       GLU 102  12.069   2.551   2.398
  665   2HG   GLU 102          1HG       GLU 102  11.034   2.685   1.007
  666    H    CYS 103           H        CYS 103   7.829   5.785   2.622
  667    HA   CYS 103           HA       CYS 103   8.144   8.532   1.733
  668   1HB   CYS 103          2HB       CYS 103   6.141   6.974   3.138
  669   2HB   CYS 103          1HB       CYS 103   6.418   8.466   4.017
  670    H    THR 104           H        THR 104   9.261  10.160   2.723
  671    HA   THR 104           HA       THR 104  10.506   9.546   5.387
  672    HB   THR 104           HB       THR 104  12.235  11.191   4.735
  673    HG1  THR 104           1HG      THR 104  10.938  11.297   2.189
  674   1HG2  THR 104          1HG2      THR 104  11.733   9.137   2.566
  675   2HG2  THR 104          2HG2      THR 104  12.504   8.802   4.119
  676   3HG2  THR 104          3HG2      THR 104  13.276   9.888   2.966
  Start of MODEL    5
    1   1H    ALA   1          1HT       ALA   1  -0.338  10.688  16.434
    2   2H    ALA   1          2HT       ALA   1   1.152  11.513  16.197
    3   3H    ALA   1          3HT       ALA   1   0.708  10.984  17.765
    4    HA   ALA   1           HA       ALA   1   2.378   9.557  16.836
    5   1HB   ALA   1          1HB       ALA   1  -0.376   8.293  16.980
    6   2HB   ALA   1          2HB       ALA   1   0.691   8.608  18.346
    7   3HB   ALA   1          3HB       ALA   1   1.159   7.430  17.121
    8    H    CYS   2           H        CYS   2   3.229   8.642  14.978
    9    HA   CYS   2           HA       CYS   2   1.914   7.429  12.887
   10   1HB   CYS   2          2HB       CYS   2   1.922   9.425  11.179
   11   2HB   CYS   2          1HB       CYS   2   0.587   9.292  12.325
   12    H    ASP   3           H        ASP   3   3.549   6.432  11.820
   13    HA   ASP   3           HA       ASP   3   6.208   7.807  11.768
   14   1HB   ASP   3          2HB       ASP   3   5.814   5.408  12.756
   15   2HB   ASP   3          1HB       ASP   3   5.763   4.891  11.066
   16    H    TYR   4           H        TYR   4   3.519   7.183   9.799
   17    HA   TYR   4           HA       TYR   4   5.200   7.130   7.337
   18   1HB   TYR   4          2HB       TYR   4   2.296   6.431   7.893
   19   2HB   TYR   4          1HB       TYR   4   2.913   6.629   6.243
   20    HD1  TYR   4           1HD      TYR   4   2.027   4.135   8.277
   21    HD2  TYR   4           2HD      TYR   4   5.555   5.510   6.263
   22    HE1  TYR   4           1HE      TYR   4   2.925   1.827   8.287
   23    HE2  TYR   4           2HE      TYR   4   6.467   3.216   6.286
   24    HH   TYR   4           HH       TYR   4   5.846   0.976   8.051
   25    H    THR   5           H        THR   5   5.664   9.148   6.663
   26    HA   THR   5           HA       THR   5   3.377  11.047   6.382
   27    HB   THR   5           HB       THR   5   4.742  12.890   7.307
   28    HG1  THR   5           1HG      THR   5   6.826  12.315   7.052
   29   1HG2  THR   5          1HG2      THR   5   4.822  10.667   9.324
   30   2HG2  THR   5          2HG2      THR   5   3.280  11.302   8.759
   31   3HG2  THR   5          3HG2      THR   5   4.430  12.365   9.564
   32    H    CYS   6           H        CYS   6   3.353  11.597   4.271
   33    HA   CYS   6           HA       CYS   6   5.998  11.986   2.897
   34   1HB   CYS   6          2HB       CYS   6   3.621  10.369   2.158
   35   2HB   CYS   6          1HB       CYS   6   4.235  11.396   0.860
   36    H    GLY   7           H        GLY   7   3.705  13.608   4.225
   37   1HA   GLY   7          2HA       GLY   7   4.003  15.913   2.454
   38   2HA   GLY   7          1HA       GLY   7   2.357  15.277   2.534
   39    H    SER   8           H        SER   8   4.626  15.170   5.250
   40    HA   SER   8           HA       SER   8   4.598  16.284   7.283
   41   1HB   SER   8          2HB       SER   8   4.260  18.317   5.671
   42   2HB   SER   8          1HB       SER   8   2.575  18.260   6.198
   43    HG   SER   8           HG       SER   8   4.887  18.781   7.712
   44    H    ASN   9           H        ASN   9   2.238  14.490   6.035
   45    HA   ASN   9           HA       ASN   9   0.017  15.183   7.790
   46   1HB   ASN   9          2HB       ASN   9   0.618  12.994   5.799
   47   2HB   ASN   9          1HB       ASN   9  -0.705  12.760   6.946
   48   1HD2  ASN   9          1HD2      ASN   9   0.411  14.794   4.274
   49   2HD2  ASN   9          2HD2      ASN   9  -1.139  15.502   3.988
   50    H    CYS  10           H        CYS  10  -0.870  13.137   9.107
   51    HA   CYS  10           HA       CYS  10   1.425  11.985  10.617
   52   1HB   CYS  10          2HB       CYS  10   0.372  13.848  11.905
   53   2HB   CYS  10          1HB       CYS  10  -1.193  13.028  11.787
   54    H    TYR  11           H        TYR  11   0.852  10.224   8.971
   55    HA   TYR  11           HA       TYR  11  -1.663   8.793   9.442
   56   1HB   TYR  11          2HB       TYR  11   0.767   8.350   7.717
   57   2HB   TYR  11          1HB       TYR  11  -0.364   7.023   7.968
   58    HD1  TYR  11           1HD      TYR  11  -1.517   6.824   5.946
   59    HD2  TYR  11           2HD      TYR  11  -1.020  10.707   7.718
   60    HE1  TYR  11           1HE      TYR  11  -3.045   7.808   4.255
   61    HE2  TYR  11           2HE      TYR  11  -2.541  11.678   6.049
   62    HH   TYR  11           HH       TYR  11  -3.249  10.550   3.301
   63    H    SER  12           H        SER  12  -1.954   7.486  11.157
   64    HA   SER  12           HA       SER  12   0.315   6.603  12.767
   65   1HB   SER  12          2HB       SER  12  -2.633   5.967  13.013
   66   2HB   SER  12          1HB       SER  12  -1.398   5.611  14.229
   67    HG   SER  12           HG       SER  12  -2.591   7.629  14.527
   68    H    SER  13           H        SER  13   1.272   4.611  12.725
   69    HA   SER  13           HA       SER  13   1.005   2.868  10.551
   70   1HB   SER  13          2HB       SER  13   2.839   2.166  11.709
   71   2HB   SER  13          1HB       SER  13   2.180   2.691  13.263
   72    HG   SER  13           HG       SER  13   2.279   0.454  13.256
   73    H    SER  14           H        SER  14  -0.924   3.079  13.501
   74    HA   SER  14           HA       SER  14  -2.302   0.564  13.105
   75   1HB   SER  14          2HB       SER  14  -2.399   1.356  15.319
   76   2HB   SER  14          1HB       SER  14  -2.772   3.011  14.817
   77    HG   SER  14           HG       SER  14  -4.838   2.490  14.593
   78    H    ASP  15           H        ASP  15  -2.945   3.954  12.222
   79    HA   ASP  15           HA       ASP  15  -5.568   3.455  11.141
   80   1HB   ASP  15          2HB       ASP  15  -4.909   5.741  11.675
   81   2HB   ASP  15          1HB       ASP  15  -3.530   5.643  10.573
   82    H    VAL  16           H        VAL  16  -2.295   3.029  10.017
   83    HA   VAL  16           HA       VAL  16  -3.024   2.764   7.218
   84    HB   VAL  16           HB       VAL  16  -0.524   1.738   8.607
   85   1HG1  VAL  16          1HG1      VAL  16  -0.909   0.912   6.308
   86   2HG1  VAL  16          2HG1      VAL  16   0.455   2.022   6.359
   87   3HG1  VAL  16          3HG1      VAL  16  -1.103   2.570   5.738
   88   1HG2  VAL  16          1HG2      VAL  16  -0.100   3.894   9.063
   89   2HG2  VAL  16          2HG2      VAL  16  -1.448   4.484   8.101
   90   3HG2  VAL  16          3HG2      VAL  16   0.097   4.136   7.340
   91    H    SER  17           H        SER  17  -2.780   0.674  10.029
   92    HA   SER  17           HA       SER  17  -2.769  -1.827   8.637
   93   1HB   SER  17          2HB       SER  17  -2.519  -1.094  11.264
   94   2HB   SER  17          1HB       SER  17  -4.141  -1.790  11.261
   95    HG   SER  17           HG       SER  17  -2.359  -3.301  11.591
   96    H    THR  18           H        THR  18  -5.369   0.308   9.809
   97    HA   THR  18           HA       THR  18  -7.522  -1.504   9.278
   98    HB   THR  18           HB       THR  18  -8.583   1.046   8.777
   99    HG1  THR  18           1HG      THR  18  -7.431   2.472   9.962
  100   1HG2  THR  18          1HG2      THR  18  -9.427  -0.617  10.382
  101   2HG2  THR  18          2HG2      THR  18  -9.270   0.977  11.118
  102   3HG2  THR  18          3HG2      THR  18  -8.070  -0.268  11.457
  103    H    ALA  19           H        ALA  19  -6.000   1.021   7.283
  104    HA   ALA  19           HA       ALA  19  -7.612   0.403   4.940
  105   1HB   ALA  19          1HB       ALA  19  -4.907   1.682   4.790
  106   2HB   ALA  19          2HB       ALA  19  -6.240   2.558   5.556
  107   3HB   ALA  19          3HB       ALA  19  -6.366   2.051   3.872
  108    H    GLN  20           H        GLN  20  -4.830  -0.980   6.452
  109    HA   GLN  20           HA       GLN  20  -3.748  -2.195   4.077
  110   1HB   GLN  20          2HB       GLN  20  -2.897  -1.872   6.745
  111   2HB   GLN  20          1HB       GLN  20  -3.068  -3.601   6.578
  112   1HG   GLN  20          2HG       GLN  20  -1.293  -1.715   5.038
  113   2HG   GLN  20          1HG       GLN  20  -0.899  -3.204   5.898
  114   1HE2  GLN  20          1HE2      GLN  20  -2.728  -5.013   4.930
  115   2HE2  GLN  20          2HE2      GLN  20  -2.670  -5.088   3.224
  116    H    ALA  21           H        ALA  21  -6.094  -3.058   6.550
  117    HA   ALA  21           HA       ALA  21  -6.303  -5.847   5.694
  118   1HB   ALA  21          1HB       ALA  21  -8.251  -5.902   7.211
  119   2HB   ALA  21          2HB       ALA  21  -8.138  -4.151   7.416
  120   3HB   ALA  21          3HB       ALA  21  -6.841  -5.192   7.998
  121    H    ALA  22           H        ALA  22  -7.325  -2.871   4.423
  122    HA   ALA  22           HA       ALA  22  -9.852  -3.810   3.300
  123   1HB   ALA  22          1HB       ALA  22 -10.120  -1.653   2.545
  124   2HB   ALA  22          2HB       ALA  22  -8.395  -1.364   2.317
  125   3HB   ALA  22          3HB       ALA  22  -9.090  -1.367   3.937
  126    H    GLY  23           H        GLY  23  -6.680  -2.785   1.939
  127   1HA   GLY  23          2HA       GLY  23  -7.235  -3.850  -0.693
  128   2HA   GLY  23          1HA       GLY  23  -5.652  -3.425  -0.061
  129    H    TYR  24           H        TYR  24  -6.183  -5.230   2.308
  130    HA   TYR  24           HA       TYR  24  -4.987  -7.597   1.091
  131   1HB   TYR  24          2HB       TYR  24  -4.055  -7.028   3.217
  132   2HB   TYR  24          1HB       TYR  24  -5.641  -6.710   3.895
  133    HD1  TYR  24           1HD      TYR  24  -5.554  -8.147   5.780
  134    HD2  TYR  24           2HD      TYR  24  -4.765  -9.672   1.837
  135    HE1  TYR  24           1HE      TYR  24  -5.700 -10.467   6.643
  136    HE2  TYR  24           2HE      TYR  24  -4.925 -11.980   2.693
  137    HH   TYR  24           HH       TYR  24  -4.543 -12.948   5.522
  138    H    GLN  25           H        GLN  25  -7.882  -7.080   3.161
  139    HA   GLN  25           HA       GLN  25  -8.964  -9.624   2.919
  140   1HB   GLN  25          2HB       GLN  25  -9.853  -7.308   4.023
  141   2HB   GLN  25          1HB       GLN  25 -10.954  -7.404   2.656
  142   1HG   GLN  25          2HG       GLN  25 -10.786 -10.020   3.828
  143   2HG   GLN  25          1HG       GLN  25 -10.980  -8.844   5.136
  144   1HE2  GLN  25          1HE2      GLN  25 -12.442  -9.965   2.091
  145   2HE2  GLN  25          2HE2      GLN  25 -14.010  -9.340   2.463
  146    H    LEU  26           H        LEU  26  -9.092  -6.973   0.586
  147    HA   LEU  26           HA       LEU  26 -10.896  -8.343  -1.244
  148   1HB   LEU  26          2HB       LEU  26  -9.139  -5.899  -1.294
  149   2HB   LEU  26          1HB       LEU  26  -9.637  -6.555  -2.848
  150    HG   LEU  26           HG       LEU  26 -11.141  -4.746  -1.681
  151   1HD1  LEU  26          1HD1      LEU  26 -11.659  -6.966  -3.364
  152   2HD1  LEU  26          2HD1      LEU  26 -12.429  -5.404  -3.390
  153   3HD1  LEU  26          3HD1      LEU  26 -13.090  -6.694  -2.389
  154   1HD2  LEU  26          1HD2      LEU  26 -11.182  -6.064   0.501
  155   2HD2  LEU  26          2HD2      LEU  26 -12.252  -7.218  -0.306
  156   3HD2  LEU  26          3HD2      LEU  26 -12.734  -5.542  -0.124
  157    H    HIS  27           H        HIS  27  -7.378  -8.034  -0.971
  158    HA   HIS  27           HA       HIS  27  -6.730  -9.337  -3.410
  159   1HB   HIS  27          2HB       HIS  27  -4.923  -8.254  -2.365
  160   2HB   HIS  27          1HB       HIS  27  -5.284  -8.958  -0.784
  161    HD1  HIS  27           1HD      HIS  27  -4.782 -10.720  -4.128
  162    HD2  HIS  27           2HD      HIS  27  -3.126 -10.595  -0.300
  163    HE1  HIS  27           1HE      HIS  27  -3.021 -12.531  -4.053
  164    HE2  HIS  27           2HE      HIS  27  -2.345 -12.683  -1.627
  165    H    GLU  28           H        GLU  28  -7.610 -10.658  -0.264
  166    HA   GLU  28           HA       GLU  28  -6.906 -13.403  -1.097
  167   1HB   GLU  28          2HB       GLU  28  -8.030 -13.968   1.162
  168   2HB   GLU  28          1HB       GLU  28  -6.544 -13.010   1.209
  169   1HG   GLU  28          2HG       GLU  28  -7.705 -10.995   1.605
  170   2HG   GLU  28          1HG       GLU  28  -9.259 -11.706   1.176
  171    H    ASP  29           H        ASP  29  -9.746 -11.338  -0.970
  172    HA   ASP  29           HA       ASP  29 -11.564 -13.617  -1.343
  173   1HB   ASP  29          2HB       ASP  29 -12.037 -11.307  -0.156
  174   2HB   ASP  29          1HB       ASP  29 -12.364 -10.732  -1.796
  175    H    GLY  30           H        GLY  30  -9.475 -11.880  -3.350
  176   1HA   GLY  30          2HA       GLY  30  -9.206 -12.262  -5.662
  177   2HA   GLY  30          1HA       GLY  30 -10.828 -12.946  -5.751
  178    H    GLU  31           H        GLU  31 -11.933 -10.575  -4.224
  179    HA   GLU  31           HA       GLU  31 -12.716  -8.998  -6.420
  180   1HB   GLU  31          2HB       GLU  31 -12.716  -8.570  -3.429
  181   2HB   GLU  31          1HB       GLU  31 -13.383  -7.339  -4.525
  182   1HG   GLU  31          2HG       GLU  31 -14.303 -10.117  -4.987
  183   2HG   GLU  31          1HG       GLU  31 -14.807  -9.363  -3.469
  184    H    THR  32           H        THR  32 -12.311  -6.326  -5.752
  185    HA   THR  32           HA       THR  32  -9.449  -5.871  -5.358
  186    HB   THR  32           HB       THR  32  -9.683  -4.500  -7.711
  187    HG1  THR  32           1HG      THR  32 -11.079  -6.919  -8.245
  188   1HG2  THR  32          1HG2      THR  32  -7.973  -6.253  -6.953
  189   2HG2  THR  32          2HG2      THR  32  -8.287  -6.090  -8.661
  190   3HG2  THR  32          3HG2      THR  32  -9.009  -7.411  -7.760
  191    H    VAL  33           H        VAL  33 -11.444  -3.700  -7.280
  192    HA   VAL  33           HA       VAL  33 -11.969  -2.058  -4.843
  193    HB   VAL  33           HB       VAL  33 -11.394  -0.084  -6.598
  194   1HG1  VAL  33          1HG1      VAL  33  -9.409   0.233  -5.441
  195   2HG1  VAL  33          2HG1      VAL  33  -9.085  -1.494  -5.320
  196   3HG1  VAL  33          3HG1      VAL  33 -10.324  -0.766  -4.320
  197   1HG2  VAL  33          1HG2      VAL  33 -10.885  -1.828  -8.373
  198   2HG2  VAL  33          2HG2      VAL  33  -9.475  -2.223  -7.382
  199   3HG2  VAL  33          3HG2      VAL  33  -9.660  -0.597  -8.048
  200    H    GLY  34           H        GLY  34 -13.225   0.052  -6.093
  201   1HA   GLY  34          2HA       GLY  34 -15.822  -0.656  -6.397
  202   2HA   GLY  34          1HA       GLY  34 -15.134   0.716  -7.265
  203    H    SER  35           H        SER  35 -13.325  -0.802  -8.932
  204    HA   SER  35           HA       SER  35 -14.677  -2.915 -10.315
  205   1HB   SER  35          2HB       SER  35 -16.304  -1.350 -11.077
  206   2HB   SER  35          1HB       SER  35 -15.087  -0.095 -11.346
  207    HG   SER  35           HG       SER  35 -14.547  -1.008 -13.207
  208    H    ASN  36           H        ASN  36 -12.643  -0.036 -10.953
  209    HA   ASN  36           HA       ASN  36 -11.062  -1.113 -13.004
  210   1HB   ASN  36          2HB       ASN  36 -10.173   0.723 -10.740
  211   2HB   ASN  36          1HB       ASN  36  -9.313   0.496 -12.271
  212   1HD2  ASN  36          1HD2      ASN  36 -10.827   0.898 -14.267
  213   2HD2  ASN  36          2HD2      ASN  36 -11.876   2.262 -14.113
  214    H    SER  37           H        SER  37  -9.431  -0.746  -9.884
  215    HA   SER  37           HA       SER  37  -9.109  -3.308  -8.981
  216   1HB   SER  37          2HB       SER  37  -6.782  -3.757 -10.273
  217   2HB   SER  37          1HB       SER  37  -8.320  -4.363 -10.842
  218    HG   SER  37           HG       SER  37  -7.017  -3.143 -12.405
  219    H    TYR  38           H        TYR  38  -6.619  -3.592  -8.111
  220    HA   TYR  38           HA       TYR  38  -4.977  -1.377  -7.862
  221   1HB   TYR  38          2HB       TYR  38  -7.364  -0.938  -6.373
  222   2HB   TYR  38          1HB       TYR  38  -6.106  -1.242  -5.190
  223    HD1  TYR  38           1HD      TYR  38  -7.625   1.408  -6.416
  224    HD2  TYR  38           2HD      TYR  38  -3.684  -0.307  -6.487
  225    HE1  TYR  38           1HE      TYR  38  -6.647   3.652  -6.802
  226    HE2  TYR  38           2HE      TYR  38  -2.713   1.922  -6.878
  227    HH   TYR  38           HH       TYR  38  -3.439   4.133  -7.808
  228    HA   PRO  39           HA       PRO  39  -3.848  -4.326  -4.302
  229   1HB   PRO  39          2HB       PRO  39  -5.453  -6.495  -3.886
  230   2HB   PRO  39          1HB       PRO  39  -5.619  -4.949  -3.060
  231   1HG   PRO  39          2HG       PRO  39  -7.291  -6.092  -5.235
  232   2HG   PRO  39          1HG       PRO  39  -7.750  -4.950  -3.969
  233   1HD   PRO  39          2HD       PRO  39  -7.194  -4.312  -6.638
  234   2HD   PRO  39          1HD       PRO  39  -7.311  -3.155  -5.313
  235    H    HIS  40           H        HIS  40  -2.155  -4.919  -5.638
  236    HA   HIS  40           HA       HIS  40  -2.369  -7.642  -6.819
  237   1HB   HIS  40          2HB       HIS  40  -0.663  -6.039  -8.539
  238   2HB   HIS  40          1HB       HIS  40  -2.099  -6.985  -8.949
  239    HD1  HIS  40           1HD      HIS  40  -4.356  -5.801  -8.999
  240    HD2  HIS  40           2HD      HIS  40  -1.164  -3.245  -8.248
  241    HE1  HIS  40           1HE      HIS  40  -5.165  -3.472  -9.419
  242    HE2  HIS  40           2HE      HIS  40  -3.221  -1.938  -9.130
  243    H    LYS  41           H        LYS  41  -0.563  -8.857  -6.473
  244    HA   LYS  41           HA       LYS  41   1.201  -8.297  -4.481
  245   1HB   LYS  41          2HB       LYS  41   2.566 -10.085  -5.223
  246   2HB   LYS  41          1HB       LYS  41   0.953 -10.460  -5.822
  247   1HG   LYS  41          2HG       LYS  41   1.901 -10.694  -7.803
  248   2HG   LYS  41          1HG       LYS  41   1.910  -8.958  -7.919
  249   1HD   LYS  41          2HD       LYS  41   4.153  -9.130  -8.136
  250   2HD   LYS  41          1HD       LYS  41   4.212  -9.483  -6.408
  251   1HE   LYS  41          2HE       LYS  41   5.391 -11.226  -7.600
  252   2HE   LYS  41          1HE       LYS  41   3.887 -11.916  -6.974
  253   1HZ   LYS  41          1HZ       LYS  41   4.482 -12.395  -9.381
  254   2HZ   LYS  41          2HZ       LYS  41   4.063 -10.796  -9.723
  255   3HZ   LYS  41          3HZ       LYS  41   2.911 -11.861  -9.088
  256    H    TYR  42           H        TYR  42   3.006  -7.047  -4.177
  257    HA   TYR  42           HA       TYR  42   3.805  -5.271  -6.388
  258   1HB   TYR  42          2HB       TYR  42   3.292  -4.255  -4.191
  259   2HB   TYR  42          1HB       TYR  42   4.543  -5.219  -3.452
  260    HD1  TYR  42           1HD      TYR  42   4.350  -3.237  -6.606
  261    HD2  TYR  42           2HD      TYR  42   6.391  -3.945  -2.894
  262    HE1  TYR  42           1HE      TYR  42   6.035  -1.556  -7.201
  263    HE2  TYR  42           2HE      TYR  42   8.061  -2.213  -3.484
  264    HH   TYR  42           HH       TYR  42   8.752  -1.188  -6.316
  265    H    ASN  43           H        ASN  43   6.168  -4.976  -6.812
  266    HA   ASN  43           HA       ASN  43   7.639  -7.536  -6.394
  267   1HB   ASN  43          2HB       ASN  43   7.825  -5.351  -8.488
  268   2HB   ASN  43          1HB       ASN  43   9.057  -6.610  -8.317
  269   1HD2  ASN  43          1HD2      ASN  43   5.532  -6.207  -8.815
  270   2HD2  ASN  43          2HD2      ASN  43   5.369  -7.682  -9.696
  271    H    ASN  44           H        ASN  44   8.020  -3.999  -6.176
  272    HA   ASN  44           HA       ASN  44   9.554  -2.739  -4.944
  273   1HB   ASN  44          2HB       ASN  44   9.660  -3.476  -2.805
  274   2HB   ASN  44          1HB       ASN  44   8.897  -4.975  -3.319
  275   1HD2  ASN  44          1HD2      ASN  44  11.545  -3.832  -1.696
  276   2HD2  ASN  44          2HD2      ASN  44  12.618  -5.154  -1.986
  277    H    TYR  45           H        TYR  45  11.498  -2.071  -5.661
  278    HA   TYR  45           HA       TYR  45  13.692  -3.934  -6.050
  279   1HB   TYR  45          2HB       TYR  45  12.028  -2.977  -8.359
  280   2HB   TYR  45          1HB       TYR  45  13.779  -2.955  -8.608
  281    HD1  TYR  45           1HD      TYR  45  11.224  -4.839  -9.529
  282    HD2  TYR  45           2HD      TYR  45  14.756  -5.244  -7.114
  283    HE1  TYR  45           1HE      TYR  45  11.242  -7.281  -9.960
  284    HE2  TYR  45           2HE      TYR  45  14.768  -7.678  -7.534
  285    HH   TYR  45           HH       TYR  45  13.539  -9.181  -9.802
  286    H    GLU  46           H        GLU  46  12.410  -0.689  -6.552
  287    HA   GLU  46           HA       GLU  46  14.480   0.860  -7.214
  288   1HB   GLU  46          2HB       GLU  46  12.115   1.256  -5.841
  289   2HB   GLU  46          1HB       GLU  46  13.275   1.787  -4.639
  290   1HG   GLU  46          2HG       GLU  46  13.956   2.773  -7.314
  291   2HG   GLU  46          1HG       GLU  46  12.331   3.229  -6.798
  292    H    GLY  47           H        GLY  47  14.054   0.296  -3.697
  293   1HA   GLY  47          2HA       GLY  47  16.549  -0.825  -3.130
  294   2HA   GLY  47          1HA       GLY  47  16.822   0.921  -3.141
  295    H    PHE  48           H        PHE  48  14.218  -1.238  -1.928
  296    HA   PHE  48           HA       PHE  48  13.956   0.494   0.460
  297   1HB   PHE  48          2HB       PHE  48  12.487  -2.014  -0.448
  298   2HB   PHE  48          1HB       PHE  48  12.125  -1.141   1.047
  299    HD1  PHE  48           1HD      PHE  48  11.022   0.999   1.035
  300    HD2  PHE  48           2HD      PHE  48  12.092  -0.944  -2.644
  301    HE1  PHE  48           1HE      PHE  48   9.600   2.577  -0.222
  302    HE2  PHE  48           2HE      PHE  48  10.676   0.661  -3.902
  303    HZ   PHE  48           HZ       PHE  48   9.435   2.425  -2.684
  304    H    ASP  49           H        ASP  49  13.681  -0.950   2.606
  305    HA   ASP  49           HA       ASP  49  15.916  -2.952   2.618
  306   1HB   ASP  49          2HB       ASP  49  15.421  -0.817   4.724
  307   2HB   ASP  49          1HB       ASP  49  16.711  -2.029   4.734
  308    H    PHE  50           H        PHE  50  12.735  -2.781   2.893
  309    HA   PHE  50           HA       PHE  50  12.483  -4.183   5.484
  310   1HB   PHE  50          2HB       PHE  50  10.015  -4.301   4.787
  311   2HB   PHE  50          1HB       PHE  50  10.685  -2.692   5.034
  312    HD1  PHE  50           1HD      PHE  50  10.677  -5.138   2.167
  313    HD2  PHE  50           2HD      PHE  50   9.892  -1.149   3.524
  314    HE1  PHE  50           1HE      PHE  50  10.002  -4.511  -0.118
  315    HE2  PHE  50           2HE      PHE  50   9.194  -0.522   1.232
  316    HZ   PHE  50           HZ       PHE  50   9.259  -2.198  -0.593
  317    H    SER  51           H        SER  51  10.747  -6.179   5.107
  318    HA   SER  51           HA       SER  51  11.187  -7.790   2.767
  319   1HB   SER  51          2HB       SER  51  13.060  -8.114   5.073
  320   2HB   SER  51          1HB       SER  51  12.521  -9.579   4.249
  321    HG   SER  51           HG       SER  51  13.421  -8.896   2.386
  322    H    VAL  52           H        VAL  52   8.940  -7.036   4.349
  323    HA   VAL  52           HA       VAL  52   8.114  -8.889   6.296
  324    HB   VAL  52           HB       VAL  52   6.494  -7.488   4.150
  325   1HG1  VAL  52          1HG1      VAL  52   5.565  -8.975   6.621
  326   2HG1  VAL  52          2HG1      VAL  52   5.231  -9.429   4.948
  327   3HG1  VAL  52          3HG1      VAL  52   4.546  -7.958   5.604
  328   1HG2  VAL  52          1HG2      VAL  52   5.898  -6.008   6.056
  329   2HG2  VAL  52          2HG2      VAL  52   7.613  -5.964   5.686
  330   3HG2  VAL  52          3HG2      VAL  52   7.030  -6.889   7.070
  331    H    SER  53           H        SER  53   8.024  -9.165   2.741
  332    HA   SER  53           HA       SER  53   8.239 -12.011   2.805
  333   1HB   SER  53          2HB       SER  53   6.026 -12.739   2.314
  334   2HB   SER  53          1HB       SER  53   5.801 -11.625   3.650
  335    HG   SER  53           HG       SER  53   5.486  -9.976   1.900
  336    H    SER  54           H        SER  54   8.382 -12.885   0.662
  337    HA   SER  54           HA       SER  54   9.307 -11.101  -1.344
  338   1HB   SER  54          2HB       SER  54   8.145 -13.580  -2.457
  339   2HB   SER  54          1HB       SER  54   9.794 -12.987  -2.448
  340    HG   SER  54           HG       SER  54   9.345 -14.953  -1.184
  341    HA   PRO  55           HA       PRO  55   5.029 -11.566  -3.436
  342   1HB   PRO  55          2HB       PRO  55   3.049 -12.816  -2.012
  343   2HB   PRO  55          1HB       PRO  55   4.168 -13.652  -3.084
  344   1HG   PRO  55          2HG       PRO  55   4.138 -13.582  -0.092
  345   2HG   PRO  55          1HG       PRO  55   4.724 -14.856  -1.175
  346   1HD   PRO  55          2HD       PRO  55   6.290 -12.989   0.186
  347   2HD   PRO  55          1HD       PRO  55   6.827 -14.027  -1.125
  348    H    TYR  56           H        TYR  56   5.268  -9.323  -2.858
  349    HA   TYR  56           HA       TYR  56   3.984  -8.322  -0.440
  350   1HB   TYR  56          2HB       TYR  56   5.289  -7.087  -2.870
  351   2HB   TYR  56          1HB       TYR  56   4.386  -6.062  -1.770
  352    HD1  TYR  56           1HD      TYR  56   4.891  -7.051   0.859
  353    HD2  TYR  56           2HD      TYR  56   7.555  -6.734  -2.493
  354    HE1  TYR  56           1HE      TYR  56   6.811  -6.920   2.397
  355    HE2  TYR  56           2HE      TYR  56   9.484  -6.602  -0.944
  356    HH   TYR  56           HH       TYR  56  10.124  -7.090   1.294
  357    H    TYR  57           H        TYR  57   2.533  -6.148  -1.240
  358    HA   TYR  57           HA       TYR  57   0.646  -6.803  -3.339
  359   1HB   TYR  57          2HB       TYR  57  -0.123  -7.118  -0.417
  360   2HB   TYR  57          1HB       TYR  57  -1.318  -6.878  -1.718
  361    HD1  TYR  57           1HD      TYR  57   0.811  -9.237  -0.085
  362    HD2  TYR  57           2HD      TYR  57  -1.362  -8.466  -3.669
  363    HE1  TYR  57           1HE      TYR  57   0.944 -11.664  -0.660
  364    HE2  TYR  57           2HE      TYR  57  -1.222 -10.864  -4.278
  365    HH   TYR  57           HH       TYR  57  -0.396 -13.309  -2.103
  366    H    GLU  58           H        GLU  58   0.675  -4.808  -4.177
  367    HA   GLU  58           HA       GLU  58   0.913  -2.426  -2.520
  368   1HB   GLU  58          2HB       GLU  58   0.755  -1.207  -4.671
  369   2HB   GLU  58          1HB       GLU  58   1.925  -2.524  -4.744
  370   1HG   GLU  58          2HG       GLU  58  -0.270  -3.865  -5.589
  371   2HG   GLU  58          1HG       GLU  58  -0.713  -2.247  -6.078
  372    H    TRP  59           H        TRP  59  -0.646  -1.035  -1.902
  373    HA   TRP  59           HA       TRP  59  -3.302  -1.001  -3.085
  374   1HB   TRP  59          2HB       TRP  59  -3.744  -2.871  -1.669
  375   2HB   TRP  59          1HB       TRP  59  -2.824  -2.177  -0.329
  376    HD1  TRP  59           HD       TRP  59  -3.991  -0.425   1.185
  377    HE1  TRP  59           1HE      TRP  59  -6.435   0.318   1.468
  378    HE3  TRP  59           3HE      TRP  59  -6.016  -2.506  -3.023
  379    HZ2  TRP  59           2HZ      TRP  59  -8.930   0.054   0.064
  380    HZ3  TRP  59           3HZ      TRP  59  -8.429  -2.261  -3.500
  381    HH2  TRP  59           HH       TRP  59  -9.883  -0.998  -1.990
  382    HA   PRO  60           HA       PRO  60  -2.595   3.143  -1.624
  383   1HB   PRO  60          2HB       PRO  60  -5.106   4.110  -1.925
  384   2HB   PRO  60          1HB       PRO  60  -3.997   3.871  -3.252
  385   1HG   PRO  60          2HG       PRO  60  -6.304   2.160  -2.439
  386   2HG   PRO  60          1HG       PRO  60  -5.710   2.476  -4.063
  387   1HD   PRO  60          2HD       PRO  60  -5.238   0.189  -2.626
  388   2HD   PRO  60          1HD       PRO  60  -4.205   0.731  -3.909
  389    H    ILE  61           H        ILE  61  -3.155   4.591   0.124
  390    HA   ILE  61           HA       ILE  61  -4.801   3.344   2.301
  391    HB   ILE  61           HB       ILE  61  -2.657   2.861   3.086
  392   1HG1  ILE  61          2HG1      ILE  61  -2.120   4.488   4.848
  393   2HG1  ILE  61          1HG1      ILE  61  -3.104   5.720   4.066
  394   1HG2  ILE  61          1HG2      ILE  61  -1.401   3.884   1.273
  395   2HG2  ILE  61          2HG2      ILE  61  -0.724   4.409   2.802
  396   3HG2  ILE  61          3HG2      ILE  61  -1.764   5.496   1.882
  397   1HD1  ILE  61          1HD1      ILE  61  -5.002   3.882   4.297
  398   2HD1  ILE  61          2HD1      ILE  61  -4.549   4.860   5.654
  399   3HD1  ILE  61          3HD1      ILE  61  -3.913   3.254   5.494
  400    H    LEU  62           H        LEU  62  -6.161   4.830   3.319
  401    HA   LEU  62           HA       LEU  62  -5.760   7.725   2.638
  402   1HB   LEU  62          2HB       LEU  62  -8.484   6.693   3.334
  403   2HB   LEU  62          1HB       LEU  62  -7.993   7.957   2.195
  404    HG   LEU  62           HG       LEU  62  -7.845   4.955   1.777
  405   1HD1  LEU  62          1HD1      LEU  62  -9.280   5.470  -0.144
  406   2HD1  LEU  62          2HD1      LEU  62  -9.252   7.185   0.276
  407   3HD1  LEU  62          3HD1      LEU  62 -10.025   6.022   1.356
  408   1HD2  LEU  62          1HD2      LEU  62  -7.124   6.478  -0.513
  409   2HD2  LEU  62          2HD2      LEU  62  -6.163   5.277   0.305
  410   3HD2  LEU  62          3HD2      LEU  62  -6.067   6.980   0.743
  411    H    SER  63           H        SER  63  -7.086   9.120   4.283
  412    HA   SER  63           HA       SER  63  -6.753   7.972   7.037
  413   1HB   SER  63          2HB       SER  63  -5.312  10.159   5.830
  414   2HB   SER  63          1HB       SER  63  -6.263  10.785   7.151
  415    HG   SER  63           HG       SER  63  -5.256   9.446   8.551
  416    H    SER  64           H        SER  64  -9.152   8.260   5.325
  417    HA   SER  64           HA       SER  64 -10.638  10.305   6.942
  418   1HB   SER  64          2HB       SER  64 -10.459  10.146   4.202
  419   2HB   SER  64          1HB       SER  64 -11.940   9.235   4.501
  420    HG   SER  64           HG       SER  64 -11.338  11.917   5.118
  421    H    GLY  65           H        GLY  65 -11.220   7.196   5.235
  422   1HA   GLY  65          2HA       GLY  65 -11.883   5.425   7.093
  423   2HA   GLY  65          1HA       GLY  65 -13.245   6.518   7.335
  424    H    ASP  66           H        ASP  66 -11.581   5.251   4.414
  425    HA   ASP  66           HA       ASP  66 -14.021   3.820   3.638
  426   1HB   ASP  66          2HB       ASP  66 -13.885   6.478   2.869
  427   2HB   ASP  66          1HB       ASP  66 -13.169   5.676   1.467
  428    H    VAL  67           H        VAL  67 -13.635   2.350   1.900
  429    HA   VAL  67           HA       VAL  67 -10.791   1.622   1.633
  430    HB   VAL  67           HB       VAL  67 -13.268   0.344   0.409
  431   1HG1  VAL  67          1HG1      VAL  67 -11.150  -0.252  -0.709
  432   2HG1  VAL  67          2HG1      VAL  67 -11.800  -1.619   0.175
  433   3HG1  VAL  67          3HG1      VAL  67 -10.465  -0.702   0.842
  434   1HG2  VAL  67          1HG2      VAL  67 -13.412   0.357   2.847
  435   2HG2  VAL  67          2HG2      VAL  67 -11.760  -0.247   2.978
  436   3HG2  VAL  67          3HG2      VAL  67 -13.024  -1.268   2.292
  437    H    TYR  68           H        TYR  68  -9.548   2.055  -0.169
  438    HA   TYR  68           HA       TYR  68 -10.341   3.980  -2.071
  439   1HB   TYR  68          2HB       TYR  68  -7.975   2.727  -1.480
  440   2HB   TYR  68          1HB       TYR  68  -8.338   1.981  -3.044
  441    HD1  TYR  68           1HD      TYR  68  -6.911   4.762  -1.480
  442    HD2  TYR  68           2HD      TYR  68  -9.159   3.639  -4.911
  443    HE1  TYR  68           1HE      TYR  68  -6.154   6.841  -2.621
  444    HE2  TYR  68           2HE      TYR  68  -8.423   5.693  -6.089
  445    HH   TYR  68           HH       TYR  68  -6.002   7.372  -5.545
  446    H    SER  69           H        SER  69 -11.398   3.851  -4.036
  447    HA   SER  69           HA       SER  69 -11.780   1.234  -5.309
  448   1HB   SER  69          2HB       SER  69 -13.912   2.666  -3.819
  449   2HB   SER  69          1HB       SER  69 -14.387   2.036  -5.397
  450    HG   SER  69           HG       SER  69 -13.474   0.634  -3.143
  451    H    GLY  70           H        GLY  70 -10.284   3.186  -6.383
  452   1HA   GLY  70          2HA       GLY  70 -10.128   4.105  -8.559
  453   2HA   GLY  70          1HA       GLY  70 -11.879   4.006  -8.733
  454    H    GLY  71           H        GLY  71 -10.351   6.333  -9.388
  455   1HA   GLY  71          2HA       GLY  71 -11.402   8.570  -8.996
  456   2HA   GLY  71          1HA       GLY  71 -11.315   8.250  -7.267
  457    H    SER  72           H        SER  72  -9.323   8.777 -10.167
  458    HA   SER  72           HA       SER  72  -7.167   9.614 -10.373
  459   1HB   SER  72          2HB       SER  72  -7.988  10.927  -7.773
  460   2HB   SER  72          1HB       SER  72  -6.510  11.322  -8.647
  461    HG   SER  72           HG       SER  72  -7.671  12.123 -10.303
  462    HA   PRO  73           HA       PRO  73  -5.362   6.397  -7.594
  463   1HB   PRO  73          2HB       PRO  73  -3.969   5.158  -9.610
  464   2HB   PRO  73          1HB       PRO  73  -5.644   4.788  -9.203
  465   1HG   PRO  73          2HG       PRO  73  -4.575   6.346 -11.526
  466   2HG   PRO  73          1HG       PRO  73  -6.063   5.392 -11.412
  467   1HD   PRO  73          2HD       PRO  73  -5.872   8.209 -11.238
  468   2HD   PRO  73          1HD       PRO  73  -7.287   7.232 -10.797
  469    H    GLY  74           H        GLY  74  -2.950   5.914  -7.289
  470   1HA   GLY  74          2HA       GLY  74  -0.642   6.598  -7.753
  471   2HA   GLY  74          1HA       GLY  74  -1.225   8.188  -8.217
  472    H    ALA  75           H        ALA  75   0.378   8.950  -6.584
  473    HA   ALA  75           HA       ALA  75   0.749   9.955  -4.521
  474   1HB   ALA  75          1HB       ALA  75  -1.885   9.003  -3.435
  475   2HB   ALA  75          2HB       ALA  75  -1.884  10.166  -4.760
  476   3HB   ALA  75          3HB       ALA  75  -1.070  10.553  -3.249
  477    H    ASP  76           H        ASP  76   0.009   9.106  -1.931
  478    HA   ASP  76           HA       ASP  76   1.899   7.200  -1.290
  479   1HB   ASP  76          2HB       ASP  76  -0.667   8.065   0.017
  480   2HB   ASP  76          1HB       ASP  76   0.211   6.698   0.716
  481    H    ARG  77           H        ARG  77   1.576   4.964  -0.413
  482    HA   ARG  77           HA       ARG  77  -0.643   3.360  -1.269
  483   1HB   ARG  77          2HB       ARG  77   0.478   3.844  -3.491
  484   2HB   ARG  77          1HB       ARG  77   1.900   2.987  -2.901
  485   1HG   ARG  77          2HG       ARG  77   0.702   0.931  -2.689
  486   2HG   ARG  77          1HG       ARG  77  -0.849   1.732  -2.973
  487   1HD   ARG  77          2HD       ARG  77   1.410   1.468  -4.973
  488   2HD   ARG  77          1HD       ARG  77  -0.127   0.588  -4.999
  489    HE   ARG  77           HE       ARG  77  -1.170   2.378  -5.023
  490   1HH1  ARG  77          1HH2      ARG  77   0.492   0.877  -7.047
  491   2HH1  ARG  77          2HH2      ARG  77   0.480   1.894  -8.437
  492   1HH2  ARG  77          1HH1      ARG  77  -0.625   4.715  -6.758
  493   2HH2  ARG  77          2HH1      ARG  77  -0.170   4.050  -8.292
  494    H    VAL  78           H        VAL  78  -0.546   2.196   0.649
  495    HA   VAL  78           HA       VAL  78   2.033   1.418   1.779
  496    HB   VAL  78           HB       VAL  78  -0.111   2.015   3.083
  497   1HG1  VAL  78          1HG1      VAL  78  -0.739  -0.913   2.611
  498   2HG1  VAL  78          2HG1      VAL  78  -1.513   0.379   1.699
  499   3HG1  VAL  78          3HG1      VAL  78  -1.711   0.291   3.443
  500   1HG2  VAL  78          1HG2      VAL  78   1.396  -0.517   3.692
  501   2HG2  VAL  78          2HG2      VAL  78   0.474   0.377   4.865
  502   3HG2  VAL  78          3HG2      VAL  78   1.904   1.096   4.144
  503    H    VAL  79           H        VAL  79   2.762  -0.781   2.072
  504    HA   VAL  79           HA       VAL  79   1.538  -2.729   0.138
  505    HB   VAL  79           HB       VAL  79   4.438  -2.203   0.823
  506   1HG1  VAL  79          1HG1      VAL  79   4.018  -4.687   0.802
  507   2HG1  VAL  79          2HG1      VAL  79   4.967  -4.172  -0.553
  508   3HG1  VAL  79          3HG1      VAL  79   3.261  -4.497  -0.759
  509   1HG2  VAL  79          1HG2      VAL  79   4.668  -1.887  -1.565
  510   2HG2  VAL  79          2HG2      VAL  79   3.373  -0.849  -0.964
  511   3HG2  VAL  79          3HG2      VAL  79   2.981  -2.335  -1.823
  512    H    PHE  80           H        PHE  80   1.955  -4.995   0.706
  513    HA   PHE  80           HA       PHE  80   2.666  -5.628   3.449
  514   1HB   PHE  80          2HB       PHE  80   0.417  -6.347   4.117
  515   2HB   PHE  80          1HB       PHE  80   0.418  -4.647   3.694
  516    HD1  PHE  80           1HD      PHE  80  -1.196  -7.721   3.168
  517    HD2  PHE  80           2HD      PHE  80  -0.133  -4.082   1.157
  518    HE1  PHE  80           1HE      PHE  80  -2.972  -8.123   1.488
  519    HE2  PHE  80           2HE      PHE  80  -1.897  -4.481  -0.520
  520    HZ   PHE  80           HZ       PHE  80  -3.325  -6.499  -0.362
  521    H    ASN  81           H        ASN  81   1.463  -8.094   3.688
  522    HA   ASN  81           HA       ASN  81   2.312  -9.493   1.177
  523   1HB   ASN  81          2HB       ASN  81   3.282 -11.235   2.494
  524   2HB   ASN  81          1HB       ASN  81   3.890  -9.701   3.152
  525   1HD2  ASN  81          1HD2      ASN  81   2.538  -8.827   5.056
  526   2HD2  ASN  81          2HD2      ASN  81   1.913 -10.010   6.138
  527    H    GLU  82           H        GLU  82   0.281  -9.765   4.079
  528    HA   GLU  82           HA       GLU  82  -2.092 -10.466   2.943
  529   1HB   GLU  82          2HB       GLU  82  -2.088 -13.008   3.100
  530   2HB   GLU  82          1HB       GLU  82  -1.145 -12.371   1.765
  531   1HG   GLU  82          2HG       GLU  82   0.861 -12.987   2.678
  532   2HG   GLU  82          1HG       GLU  82   0.322 -12.741   4.328
  533    H    ASN  83           H        ASN  83   0.218 -11.002   5.486
  534    HA   ASN  83           HA       ASN  83  -1.810 -11.865   7.402
  535   1HB   ASN  83          2HB       ASN  83   1.149 -11.772   7.298
  536   2HB   ASN  83          1HB       ASN  83   0.477 -11.231   8.819
  537   1HD2  ASN  83          1HD2      ASN  83   1.713 -13.915   7.675
  538   2HD2  ASN  83          2HD2      ASN  83   0.682 -15.066   8.446
  539    H    ASN  84           H        ASN  84  -1.528  -9.065   5.964
  540    HA   ASN  84           HA       ASN  84  -2.202  -6.960   6.512
  541   1HB   ASN  84          2HB       ASN  84  -3.766  -6.952   8.113
  542   2HB   ASN  84          1HB       ASN  84  -3.309  -8.570   8.599
  543   1HD2  ASN  84          1HD2      ASN  84  -3.789  -5.559   9.824
  544   2HD2  ASN  84          2HD2      ASN  84  -2.699  -5.630  11.161
  545    H    GLN  85           H        GLN  85   0.587  -8.389   7.296
  546    HA   GLN  85           HA       GLN  85   1.779  -6.719   9.255
  547   1HB   GLN  85          2HB       GLN  85   2.718  -8.542   7.121
  548   2HB   GLN  85          1HB       GLN  85   3.871  -7.315   7.526
  549   1HG   GLN  85          2HG       GLN  85   4.323  -9.159   8.930
  550   2HG   GLN  85          1HG       GLN  85   3.564  -7.925   9.946
  551   1HE2  GLN  85          1HE2      GLN  85   3.580 -11.053   9.926
  552   2HE2  GLN  85          2HE2      GLN  85   1.911 -11.412  10.166
  553    H    LEU  86           H        LEU  86   3.972  -5.450   7.859
  554    HA   LEU  86           HA       LEU  86   2.590  -3.686   5.945
  555   1HB   LEU  86          2HB       LEU  86   2.922  -2.961   8.646
  556   2HB   LEU  86          1HB       LEU  86   4.245  -2.134   7.831
  557    HG   LEU  86           HG       LEU  86   2.412  -0.621   7.727
  558   1HD1  LEU  86          1HD1      LEU  86   2.028  -1.834   5.035
  559   2HD1  LEU  86          2HD1      LEU  86   3.668  -1.406   5.493
  560   3HD1  LEU  86          3HD1      LEU  86   2.444  -0.206   5.532
  561   1HD2  LEU  86          1HD2      LEU  86   0.668  -2.321   8.294
  562   2HD2  LEU  86          2HD2      LEU  86   0.750  -2.889   6.635
  563   3HD2  LEU  86          3HD2      LEU  86   0.194  -1.262   6.966
  564    H    ALA  87           H        ALA  87   3.847  -3.913   4.203
  565    HA   ALA  87           HA       ALA  87   6.691  -4.443   4.328
  566   1HB   ALA  87          1HB       ALA  87   6.636  -4.120   1.899
  567   2HB   ALA  87          2HB       ALA  87   5.073  -3.359   2.059
  568   3HB   ALA  87          3HB       ALA  87   5.229  -5.065   2.400
  569    H    GLY  88           H        GLY  88   4.686  -1.544   3.898
  570   1HA   GLY  88          2HA       GLY  88   6.147   0.368   5.093
  571   2HA   GLY  88          1HA       GLY  88   7.096   0.166   3.621
  572    H    VAL  89           H        VAL  89   5.847   2.605   4.192
  573    HA   VAL  89           HA       VAL  89   3.439   2.646   2.423
  574    HB   VAL  89           HB       VAL  89   4.572   4.629   4.379
  575   1HG1  VAL  89          1HG1      VAL  89   2.357   4.969   2.358
  576   2HG1  VAL  89          2HG1      VAL  89   3.796   5.950   2.518
  577   3HG1  VAL  89          3HG1      VAL  89   2.567   6.023   3.747
  578   1HG2  VAL  89          1HG2      VAL  89   1.940   3.154   4.169
  579   2HG2  VAL  89          2HG2      VAL  89   2.302   4.326   5.400
  580   3HG2  VAL  89          3HG2      VAL  89   3.199   2.816   5.325
  581    H    ILE  90           H        ILE  90   4.593   2.413   0.433
  582    HA   ILE  90           HA       ILE  90   6.667   4.390  -0.268
  583    HB   ILE  90           HB       ILE  90   6.762   3.253  -2.362
  584   1HG1  ILE  90          2HG1      ILE  90   4.008   2.394  -1.605
  585   2HG1  ILE  90          1HG1      ILE  90   4.646   2.741  -3.192
  586   1HG2  ILE  90          1HG2      ILE  90   7.638   2.179  -0.253
  587   2HG2  ILE  90          2HG2      ILE  90   7.410   1.084  -1.601
  588   3HG2  ILE  90          3HG2      ILE  90   6.244   1.131  -0.272
  589   1HD1  ILE  90          1HD1      ILE  90   5.847   0.550  -3.124
  590   2HD1  ILE  90          2HD1      ILE  90   4.094   0.401  -3.046
  591   3HD1  ILE  90          3HD1      ILE  90   5.050   0.221  -1.592
  592    H    THR  91           H        THR  91   6.343   5.999  -1.974
  593    HA   THR  91           HA       THR  91   3.474   6.795  -2.206
  594    HB   THR  91           HB       THR  91   4.957   8.403  -1.014
  595    HG1  THR  91           1HG      THR  91   3.281   9.388  -2.033
  596   1HG2  THR  91          1HG2      THR  91   6.746   7.748  -3.128
  597   2HG2  THR  91          2HG2      THR  91   6.995   8.858  -1.794
  598   3HG2  THR  91          3HG2      THR  91   6.323   9.443  -3.310
  599    H    HIS  92           H        HIS  92   2.863   7.902  -4.223
  600    HA   HIS  92           HA       HIS  92   4.372   6.859  -6.575
  601   1HB   HIS  92          2HB       HIS  92   1.833   6.090  -5.846
  602   2HB   HIS  92          1HB       HIS  92   1.466   7.435  -6.906
  603    HD1  HIS  92           1HD      HIS  92   4.139   4.742  -7.136
  604    HD2  HIS  92           2HD      HIS  92   0.978   6.330  -9.345
  605    HE1  HIS  92           1HE      HIS  92   4.147   3.538  -9.357
  606    HE2  HIS  92           2HE      HIS  92   2.423   4.710 -10.788
  607    H    THR  93           H        THR  93   5.220   9.220  -5.682
  608    HA   THR  93           HA       THR  93   4.612  11.036  -7.845
  609    HB   THR  93           HB       THR  93   3.483  11.713  -5.100
  610    HG1  THR  93           1HG      THR  93   1.555  11.619  -6.131
  611   1HG2  THR  93          1HG2      THR  93   4.073  13.426  -7.517
  612   2HG2  THR  93          2HG2      THR  93   4.433  13.738  -5.816
  613   3HG2  THR  93          3HG2      THR  93   2.775  13.830  -6.396
  614    H    GLY  94           H        GLY  94   6.518  12.139  -8.125
  615   1HA   GLY  94          2HA       GLY  94   8.105  13.750  -7.048
  616   2HA   GLY  94          1HA       GLY  94   8.231  12.638  -5.691
  617    H    ALA  95           H        ALA  95   8.068  10.454  -8.011
  618    HA   ALA  95           HA       ALA  95  11.003  10.594  -8.626
  619   1HB   ALA  95          1HB       ALA  95  10.886   8.751  -7.283
  620   2HB   ALA  95          2HB       ALA  95  10.554   7.989  -8.829
  621   3HB   ALA  95          3HB       ALA  95   9.241   8.375  -7.725
  622    H    SER  96           H        SER  96  10.535  11.710 -10.638
  623    HA   SER  96           HA       SER  96   9.830  11.862 -12.866
  624   1HB   SER  96          2HB       SER  96  11.304   9.353 -12.422
  625   2HB   SER  96          1HB       SER  96  10.272   9.274 -13.849
  626    HG   SER  96           HG       SER  96  12.394  11.030 -13.303
  627    H    GLY  97           H        GLY  97   7.531  12.041 -12.057
  628   1HA   GLY  97          2HA       GLY  97   5.342  11.481 -12.876
  629   2HA   GLY  97          1HA       GLY  97   5.883   9.845 -13.241
  630    H    ASN  98           H        ASN  98   6.449   8.475 -11.295
  631    HA   ASN  98           HA       ASN  98   5.223   9.333  -8.763
  632   1HB   ASN  98          2HB       ASN  98   4.151   6.831  -9.027
  633   2HB   ASN  98          1HB       ASN  98   3.258   8.293  -9.264
  634   1HD2  ASN  98          1HD2      ASN  98   1.921   7.756 -10.980
  635   2HD2  ASN  98          2HD2      ASN  98   2.532   7.230 -12.507
  636    H    ASN  99           H        ASN  99   5.825   6.008  -9.862
  637    HA   ASN  99           HA       ASN  99   7.335   4.447  -9.145
  638   1HB   ASN  99          2HB       ASN  99   8.862   6.718  -9.693
  639   2HB   ASN  99          1HB       ASN  99   9.318   6.328  -8.032
  640   1HD2  ASN  99          1HD2      ASN  99  10.712   4.609  -7.706
  641   2HD2  ASN  99          2HD2      ASN  99  11.206   3.543  -8.971
  642    H    PHE 100           H        PHE 100   8.060   3.447  -7.144
  643    HA   PHE 100           HA       PHE 100   6.668   4.597  -4.778
  644   1HB   PHE 100          2HB       PHE 100   7.907   1.919  -4.506
  645   2HB   PHE 100          1HB       PHE 100   6.336   2.503  -4.071
  646    HD1  PHE 100           1HD      PHE 100   4.416   2.308  -5.450
  647    HD2  PHE 100           2HD      PHE 100   8.330   1.259  -6.879
  648    HE1  PHE 100           1HE      PHE 100   3.400   1.212  -7.429
  649    HE2  PHE 100           2HE      PHE 100   7.313   0.158  -8.854
  650    HZ   PHE 100           HZ       PHE 100   4.848   0.137  -9.129
  651    H    VAL 101           H        VAL 101   7.756   5.073  -2.880
  652    HA   VAL 101           HA       VAL 101  10.588   4.398  -2.563
  653    HB   VAL 101           HB       VAL 101  11.145   6.918  -2.263
  654   1HG1  VAL 101          1HG1      VAL 101  11.703   5.293  -4.232
  655   2HG1  VAL 101          2HG1      VAL 101  11.911   7.021  -4.455
  656   3HG1  VAL 101          3HG1      VAL 101  10.497   6.221  -5.127
  657   1HG2  VAL 101          1HG2      VAL 101   8.643   7.148  -3.984
  658   2HG2  VAL 101          2HG2      VAL 101   9.750   8.448  -3.560
  659   3HG2  VAL 101          3HG2      VAL 101   8.790   7.682  -2.309
  660    H    GLU 102           H        GLU 102  10.989   4.179  -0.421
  661    HA   GLU 102           HA       GLU 102   9.041   4.195   1.546
  662   1HB   GLU 102          2HB       GLU 102  10.981   4.564   3.202
  663   2HB   GLU 102          1HB       GLU 102  11.146   3.219   2.068
  664   1HG   GLU 102          2HG       GLU 102  12.262   5.382   0.659
  665   2HG   GLU 102          1HG       GLU 102  12.733   5.659   2.331
  666    H    CYS 103           H        CYS 103   7.865   5.790   2.523
  667    HA   CYS 103           HA       CYS 103   7.984   8.468   1.801
  668   1HB   CYS 103          2HB       CYS 103   6.860   6.968   4.141
  669   2HB   CYS 103          1HB       CYS 103   6.998   8.720   4.347
  670    H    THR 104           H        THR 104   8.579  10.388   3.228
  671    HA   THR 104           HA       THR 104  10.917   9.861   4.987
  672    HB   THR 104           HB       THR 104  12.072  11.828   3.618
  673    HG1  THR 104           1HG      THR 104  10.533  10.641   1.531
  674   1HG2  THR 104          1HG2      THR 104  11.899   9.050   2.434
  675   2HG2  THR 104          2HG2      THR 104  12.893   9.478   3.828
  676   3HG2  THR 104          3HG2      THR 104  13.218  10.203   2.255
  Start of MODEL    6
    1   1H    ALA   1          1HT       ALA   1  -1.883  10.742  16.083
    2   2H    ALA   1          2HT       ALA   1  -1.491  12.248  15.349
    3   3H    ALA   1          3HT       ALA   1  -1.222  12.018  17.025
    4    HA   ALA   1           HA       ALA   1   0.835  11.909  15.814
    5   1HB   ALA   1          1HB       ALA   1   1.570   9.709  16.659
    6   2HB   ALA   1          2HB       ALA   1  -0.117   9.227  16.866
    7   3HB   ALA   1          3HB       ALA   1   0.552  10.539  17.834
    8    H    CYS   2           H        CYS   2   2.142  10.659  14.256
    9    HA   CYS   2           HA       CYS   2   0.995   8.677  12.610
   10   1HB   CYS   2          2HB       CYS   2   0.674   9.926  10.545
   11   2HB   CYS   2          1HB       CYS   2  -0.391  10.573  11.782
   12    H    ASP   3           H        ASP   3   2.797   7.515  12.152
   13    HA   ASP   3           HA       ASP   3   5.384   8.848  12.031
   14   1HB   ASP   3          2HB       ASP   3   4.607   6.300  12.706
   15   2HB   ASP   3          1HB       ASP   3   5.172   6.025  11.055
   16    H    TYR   4           H        TYR   4   3.260   7.174   9.693
   17    HA   TYR   4           HA       TYR   4   5.042   7.740   7.458
   18   1HB   TYR   4          2HB       TYR   4   2.191   6.731   7.715
   19   2HB   TYR   4          1HB       TYR   4   2.854   7.142   6.134
   20    HD1  TYR   4           1HD      TYR   4   5.364   6.238   5.776
   21    HD2  TYR   4           2HD      TYR   4   2.392   4.507   8.347
   22    HE1  TYR   4           1HE      TYR   4   6.538   4.055   5.660
   23    HE2  TYR   4           2HE      TYR   4   3.557   2.321   8.226
   24    HH   TYR   4           HH       TYR   4   6.172   1.712   6.000
   25    H    THR   5           H        THR   5   5.423   9.968   7.339
   26    HA   THR   5           HA       THR   5   2.996  11.701   7.031
   27    HB   THR   5           HB       THR   5   5.786  12.811   7.412
   28    HG1  THR   5           1HG      THR   5   4.124  11.782   9.498
   29   1HG2  THR   5          1HG2      THR   5   4.520  14.551   8.569
   30   2HG2  THR   5          2HG2      THR   5   3.027  13.641   8.353
   31   3HG2  THR   5          3HG2      THR   5   3.869  14.302   6.950
   32    H    CYS   6           H        CYS   6   3.040  10.603   4.780
   33    HA   CYS   6           HA       CYS   6   5.102  11.673   2.945
   34   1HB   CYS   6          2HB       CYS   6   2.567  10.314   2.132
   35   2HB   CYS   6          1HB       CYS   6   4.107  10.303   1.277
   36    H    GLY   7           H        GLY   7   4.512  13.079   1.122
   37   1HA   GLY   7          2HA       GLY   7   3.603  15.136   0.428
   38   2HA   GLY   7          1HA       GLY   7   2.073  14.266   0.568
   39    H    SER   8           H        SER   8   0.649  14.963   2.124
   40    HA   SER   8           HA       SER   8   1.704  16.500   4.455
   41   1HB   SER   8          2HB       SER   8   0.195  18.338   4.098
   42   2HB   SER   8          1HB       SER   8   1.032  18.086   2.562
   43    HG   SER   8           HG       SER   8  -1.348  18.291   2.486
   44    H    ASN   9           H        ASN   9   0.704  13.832   4.394
   45    HA   ASN   9           HA       ASN   9  -1.937  14.200   5.778
   46   1HB   ASN   9          2HB       ASN   9  -0.936  12.138   3.840
   47   2HB   ASN   9          1HB       ASN   9  -1.973  11.572   5.155
   48   1HD2  ASN   9          1HD2      ASN   9  -4.008  13.060   5.479
   49   2HD2  ASN   9          2HD2      ASN   9  -4.786  13.529   4.009
   50    H    CYS  10           H        CYS  10  -2.147  13.300   7.802
   51    HA   CYS  10           HA       CYS  10   0.365  12.430   9.056
   52   1HB   CYS  10          2HB       CYS  10  -1.725  13.998   9.948
   53   2HB   CYS  10          1HB       CYS  10  -2.129  12.468  10.716
   54    H    TYR  11           H        TYR  11   0.111  10.410   7.567
   55    HA   TYR  11           HA       TYR  11  -1.901   8.461   8.425
   56   1HB   TYR  11          2HB       TYR  11   0.544   8.243   6.623
   57   2HB   TYR  11          1HB       TYR  11  -0.578   6.909   6.905
   58    HD1  TYR  11           1HD      TYR  11  -3.171   8.424   7.027
   59    HD2  TYR  11           2HD      TYR  11   0.161   8.690   4.327
   60    HE1  TYR  11           1HE      TYR  11  -4.621   9.294   5.262
   61    HE2  TYR  11           2HE      TYR  11  -1.351   9.538   2.553
   62    HH   TYR  11           HH       TYR  11  -3.616  10.755   2.438
   63    H    SER  12           H        SER  12  -1.709   7.436  10.333
   64    HA   SER  12           HA       SER  12   0.953   7.181  11.563
   65   1HB   SER  12          2HB       SER  12  -0.622   6.013  13.382
   66   2HB   SER  12          1HB       SER  12  -0.562   7.754  13.219
   67    HG   SER  12           HG       SER  12  -2.703   7.102  13.179
   68    H    SER  13           H        SER  13   1.917   5.241  12.151
   69    HA   SER  13           HA       SER  13   1.651   3.097  10.288
   70   1HB   SER  13          2HB       SER  13   3.660   2.714  11.244
   71   2HB   SER  13          1HB       SER  13   3.260   3.686  12.662
   72    HG   SER  13           HG       SER  13   3.611   1.445  13.141
   73    H    SER  14           H        SER  14  -0.275   3.934  13.009
   74    HA   SER  14           HA       SER  14  -1.212   1.173  13.436
   75   1HB   SER  14          2HB       SER  14  -1.472   3.785  14.858
   76   2HB   SER  14          1HB       SER  14  -2.825   2.661  15.014
   77    HG   SER  14           HG       SER  14  -1.331   2.211  16.615
   78    H    ASP  15           H        ASP  15  -2.344   4.259  12.065
   79    HA   ASP  15           HA       ASP  15  -5.023   3.224  11.571
   80   1HB   ASP  15          2HB       ASP  15  -3.548   5.741  11.086
   81   2HB   ASP  15          1HB       ASP  15  -4.621   5.331   9.760
   82    H    VAL  16           H        VAL  16  -1.971   3.281   9.892
   83    HA   VAL  16           HA       VAL  16  -2.935   2.633   7.283
   84    HB   VAL  16           HB       VAL  16  -0.323   1.597   8.442
   85   1HG1  VAL  16          1HG1      VAL  16  -0.895   0.886   6.179
   86   2HG1  VAL  16          2HG1      VAL  16   0.433   2.044   6.132
   87   3HG1  VAL  16          3HG1      VAL  16  -1.193   2.552   5.685
   88   1HG2  VAL  16          1HG2      VAL  16  -1.221   4.386   8.201
   89   2HG2  VAL  16          2HG2      VAL  16   0.198   4.051   7.227
   90   3HG2  VAL  16          3HG2      VAL  16   0.224   3.693   8.925
   91    H    SER  17           H        SER  17  -2.368   0.698  10.183
   92    HA   SER  17           HA       SER  17  -2.367  -1.879   9.015
   93   1HB   SER  17          2HB       SER  17  -1.881  -1.992  11.270
   94   2HB   SER  17          1HB       SER  17  -3.065  -0.762  11.701
   95    HG   SER  17           HG       SER  17  -3.466  -3.498  11.190
   96    H    THR  18           H        THR  18  -5.116   0.124  10.123
   97    HA   THR  18           HA       THR  18  -7.128  -1.821   9.474
   98    HB   THR  18           HB       THR  18  -7.184   1.190   9.827
   99    HG1  THR  18           1HG      THR  18  -7.044   0.154  11.757
  100   1HG2  THR  18          1HG2      THR  18  -8.982   0.934   8.354
  101   2HG2  THR  18          2HG2      THR  18  -9.733   0.748   9.933
  102   3HG2  THR  18          3HG2      THR  18  -9.389  -0.677   8.957
  103    H    ALA  19           H        ALA  19  -5.995   1.066   7.678
  104    HA   ALA  19           HA       ALA  19  -7.566   0.383   5.317
  105   1HB   ALA  19          1HB       ALA  19  -5.552   2.076   4.457
  106   2HB   ALA  19          2HB       ALA  19  -5.784   2.525   6.158
  107   3HB   ALA  19          3HB       ALA  19  -7.138   2.567   5.042
  108    H    GLN  20           H        GLN  20  -4.727  -0.922   6.622
  109    HA   GLN  20           HA       GLN  20  -3.680  -1.666   3.991
  110   1HB   GLN  20          2HB       GLN  20  -2.067  -0.828   5.696
  111   2HB   GLN  20          1HB       GLN  20  -2.505  -2.175   6.757
  112   1HG   GLN  20          2HG       GLN  20  -0.436  -2.600   5.509
  113   2HG   GLN  20          1HG       GLN  20  -1.666  -3.755   5.078
  114   1HE2  GLN  20          1HE2      GLN  20  -2.936  -3.156   2.994
  115   2HE2  GLN  20          2HE2      GLN  20  -2.103  -2.244   1.816
  116    H    ALA  21           H        ALA  21  -5.650  -2.787   6.535
  117    HA   ALA  21           HA       ALA  21  -5.214  -5.648   5.973
  118   1HB   ALA  21          1HB       ALA  21  -5.671  -4.937   8.282
  119   2HB   ALA  21          2HB       ALA  21  -6.965  -5.976   7.685
  120   3HB   ALA  21          3HB       ALA  21  -7.204  -4.228   7.776
  121    H    ALA  22           H        ALA  22  -7.143  -2.987   4.894
  122    HA   ALA  22           HA       ALA  22  -9.413  -4.555   3.960
  123   1HB   ALA  22          1HB       ALA  22  -8.458  -1.778   3.182
  124   2HB   ALA  22          2HB       ALA  22  -9.631  -2.154   4.443
  125   3HB   ALA  22          3HB       ALA  22 -10.021  -2.482   2.756
  126    H    GLY  23           H        GLY  23  -6.739  -2.838   2.253
  127   1HA   GLY  23          2HA       GLY  23  -7.169  -3.833  -0.325
  128   2HA   GLY  23          1HA       GLY  23  -5.566  -3.510   0.332
  129    H    TYR  24           H        TYR  24  -5.909  -5.474   2.514
  130    HA   TYR  24           HA       TYR  24  -4.929  -7.789   1.069
  131   1HB   TYR  24          2HB       TYR  24  -3.886  -7.417   3.159
  132   2HB   TYR  24          1HB       TYR  24  -5.425  -7.110   3.975
  133    HD1  TYR  24           1HD      TYR  24  -6.551  -8.846   5.081
  134    HD2  TYR  24           2HD      TYR  24  -3.483  -9.777   2.230
  135    HE1  TYR  24           1HE      TYR  24  -6.676 -11.235   5.735
  136    HE2  TYR  24           2HE      TYR  24  -3.636 -12.177   2.873
  137    HH   TYR  24           HH       TYR  24  -6.065 -13.557   4.464
  138    H    GLN  25           H        GLN  25  -7.830  -7.132   3.074
  139    HA   GLN  25           HA       GLN  25  -8.997  -9.684   2.835
  140   1HB   GLN  25          2HB       GLN  25  -9.782  -7.293   3.959
  141   2HB   GLN  25          1HB       GLN  25 -10.912  -7.395   2.607
  142   1HG   GLN  25          2HG       GLN  25 -12.036  -9.139   3.483
  143   2HG   GLN  25          1HG       GLN  25 -10.584  -9.939   4.100
  144   1HE2  GLN  25          1HE2      GLN  25 -10.626 -10.050   6.311
  145   2HE2  GLN  25          2HE2      GLN  25 -11.280  -8.827   7.342
  146    H    LEU  26           H        LEU  26  -9.118  -6.917   0.612
  147    HA   LEU  26           HA       LEU  26 -10.914  -8.137  -1.235
  148   1HB   LEU  26          2HB       LEU  26 -10.171  -5.659  -1.101
  149   2HB   LEU  26          1HB       LEU  26  -8.718  -6.152  -1.972
  150    HG   LEU  26           HG       LEU  26 -10.524  -5.297  -3.495
  151   1HD1  LEU  26          1HD1      LEU  26  -9.934  -6.765  -5.108
  152   2HD1  LEU  26          2HD1      LEU  26 -10.376  -8.181  -4.171
  153   3HD1  LEU  26          3HD1      LEU  26  -8.841  -7.394  -3.914
  154   1HD2  LEU  26          1HD2      LEU  26 -12.573  -6.440  -3.727
  155   2HD2  LEU  26          2HD2      LEU  26 -12.370  -6.270  -1.994
  156   3HD2  LEU  26          3HD2      LEU  26 -12.032  -7.806  -2.771
  157    H    HIS  27           H        HIS  27  -7.362  -8.044  -1.022
  158    HA   HIS  27           HA       HIS  27  -6.915  -9.551  -3.435
  159   1HB   HIS  27          2HB       HIS  27  -5.083  -8.282  -2.452
  160   2HB   HIS  27          1HB       HIS  27  -5.193  -9.215  -0.947
  161    HD1  HIS  27           1HD      HIS  27  -5.225 -10.499  -4.533
  162    HD2  HIS  27           2HD      HIS  27  -2.945 -10.814  -1.053
  163    HE1  HIS  27           1HE      HIS  27  -3.447 -12.234  -4.998
  164    HE2  HIS  27           2HE      HIS  27  -2.339 -12.666  -2.773
  165    H    GLU  28           H        GLU  28  -8.007 -10.473  -0.276
  166    HA   GLU  28           HA       GLU  28  -7.325 -13.319  -0.815
  167   1HB   GLU  28          2HB       GLU  28  -6.797 -12.026   1.428
  168   2HB   GLU  28          1HB       GLU  28  -8.503 -12.298   1.773
  169   1HG   GLU  28          2HG       GLU  28  -7.875 -14.301   2.560
  170   2HG   GLU  28          1HG       GLU  28  -7.709 -14.796   0.871
  171    H    ASP  29           H        ASP  29  -9.716 -11.375  -1.697
  172    HA   ASP  29           HA       ASP  29 -11.826 -13.406  -1.107
  173   1HB   ASP  29          2HB       ASP  29 -11.886 -10.807  -0.248
  174   2HB   ASP  29          1HB       ASP  29 -12.678 -10.636  -1.806
  175    H    GLY  30           H        GLY  30  -9.839 -12.236  -3.498
  176   1HA   GLY  30          2HA       GLY  30  -9.926 -12.385  -5.811
  177   2HA   GLY  30          1HA       GLY  30 -11.264 -13.516  -5.592
  178    H    GLU  31           H        GLU  31 -11.576 -10.335  -4.199
  179    HA   GLU  31           HA       GLU  31 -13.652  -9.712  -6.251
  180   1HB   GLU  31          2HB       GLU  31 -13.295  -9.176  -3.352
  181   2HB   GLU  31          1HB       GLU  31 -14.040  -7.872  -4.250
  182   1HG   GLU  31          2HG       GLU  31 -15.950  -8.966  -4.602
  183   2HG   GLU  31          1HG       GLU  31 -15.150 -10.513  -4.922
  184    H    THR  32           H        THR  32 -13.810  -6.968  -5.946
  185    HA   THR  32           HA       THR  32 -11.090  -5.892  -6.344
  186    HB   THR  32           HB       THR  32 -12.898  -4.947  -8.460
  187    HG1  THR  32           1HG      THR  32 -12.147  -7.688  -8.642
  188   1HG2  THR  32          1HG2      THR  32 -10.847  -4.526  -9.120
  189   2HG2  THR  32          2HG2      THR  32 -10.754  -6.209  -9.619
  190   3HG2  THR  32          3HG2      THR  32 -10.079  -5.714  -8.068
  191    H    VAL  33           H        VAL  33 -11.313  -3.446  -6.817
  192    HA   VAL  33           HA       VAL  33 -13.138  -2.379  -4.729
  193    HB   VAL  33           HB       VAL  33 -11.856  -0.284  -5.040
  194   1HG1  VAL  33          1HG1      VAL  33 -10.085  -2.739  -4.880
  195   2HG1  VAL  33          2HG1      VAL  33 -10.981  -2.026  -3.534
  196   3HG1  VAL  33          3HG1      VAL  33  -9.697  -1.113  -4.322
  197   1HG2  VAL  33          1HG2      VAL  33  -9.738  -1.073  -6.699
  198   2HG2  VAL  33          2HG2      VAL  33 -10.980   0.090  -7.071
  199   3HG2  VAL  33          3HG2      VAL  33 -11.165  -1.572  -7.584
  200    H    GLY  34           H        GLY  34 -13.023   0.294  -6.401
  201   1HA   GLY  34          2HA       GLY  34 -15.493  -0.290  -7.932
  202   2HA   GLY  34          1HA       GLY  34 -14.920   1.290  -7.408
  203    H    SER  35           H        SER  35 -12.820  -1.083  -8.981
  204    HA   SER  35           HA       SER  35 -13.080   0.163 -11.598
  205   1HB   SER  35          2HB       SER  35 -10.875   1.177 -11.688
  206   2HB   SER  35          1HB       SER  35 -11.682   1.795 -10.249
  207    HG   SER  35           HG       SER  35  -9.465   0.176 -10.430
  208    H    ASN  36           H        ASN  36 -10.361  -0.550 -12.401
  209    HA   ASN  36           HA       ASN  36 -10.724  -3.201 -13.192
  210   1HB   ASN  36          2HB       ASN  36  -8.411  -1.313 -13.010
  211   2HB   ASN  36          1HB       ASN  36  -7.991  -3.022 -13.163
  212   1HD2  ASN  36          1HD2      ASN  36  -7.660  -3.535 -15.286
  213   2HD2  ASN  36          2HD2      ASN  36  -8.590  -2.912 -16.601
  214    H    SER  37           H        SER  37  -8.471  -2.117 -10.632
  215    HA   SER  37           HA       SER  37  -9.183  -3.878  -8.622
  216   1HB   SER  37          2HB       SER  37  -7.158  -5.587  -9.117
  217   2HB   SER  37          1HB       SER  37  -8.742  -5.902  -9.770
  218    HG   SER  37           HG       SER  37  -6.500  -4.850 -11.066
  219    H    TYR  38           H        TYR  38  -8.331  -2.526  -7.114
  220    HA   TYR  38           HA       TYR  38  -5.728  -1.321  -7.643
  221   1HB   TYR  38          2HB       TYR  38  -7.937  -0.816  -5.790
  222   2HB   TYR  38          1HB       TYR  38  -6.367  -0.673  -4.995
  223    HD1  TYR  38           1HD      TYR  38  -8.696   1.207  -6.662
  224    HD2  TYR  38           2HD      TYR  38  -4.499   0.348  -6.716
  225    HE1  TYR  38           1HE      TYR  38  -8.275   3.365  -7.806
  226    HE2  TYR  38           2HE      TYR  38  -4.081   2.526  -7.860
  227    HH   TYR  38           HH       TYR  38  -6.037   4.176  -9.489
  228    HA   PRO  39           HA       PRO  39  -4.319  -4.115  -4.128
  229   1HB   PRO  39          2HB       PRO  39  -5.694  -6.434  -3.733
  230   2HB   PRO  39          1HB       PRO  39  -6.008  -4.935  -2.863
  231   1HG   PRO  39          2HG       PRO  39  -7.600  -6.193  -5.055
  232   2HG   PRO  39          1HG       PRO  39  -8.152  -5.128  -3.749
  233   1HD   PRO  39          2HD       PRO  39  -7.668  -4.430  -6.428
  234   2HD   PRO  39          1HD       PRO  39  -7.949  -3.282  -5.104
  235    H    HIS  40           H        HIS  40  -2.611  -4.694  -5.334
  236    HA   HIS  40           HA       HIS  40  -2.807  -7.151  -7.026
  237   1HB   HIS  40          2HB       HIS  40  -0.892  -5.731  -8.423
  238   2HB   HIS  40          1HB       HIS  40  -2.604  -5.790  -8.864
  239    HD1  HIS  40           1HD      HIS  40  -1.077  -3.902  -5.997
  240    HD2  HIS  40           2HD      HIS  40  -2.981  -3.115  -9.603
  241    HE1  HIS  40           1HE      HIS  40  -1.797  -1.491  -5.900
  242    HE2  HIS  40           2HE      HIS  40  -3.082  -1.051  -8.013
  243    H    LYS  41           H        LYS  41  -0.370  -7.801  -7.622
  244    HA   LYS  41           HA       LYS  41   0.989  -7.894  -4.992
  245   1HB   LYS  41          2HB       LYS  41   0.909 -10.060  -5.642
  246   2HB   LYS  41          1HB       LYS  41   0.840  -9.681  -7.349
  247   1HG   LYS  41          2HG       LYS  41   3.368  -9.282  -5.712
  248   2HG   LYS  41          1HG       LYS  41   2.903 -10.833  -6.391
  249   1HD   LYS  41          2HD       LYS  41   2.548  -8.959  -8.505
  250   2HD   LYS  41          1HD       LYS  41   4.103  -8.573  -7.737
  251   1HE   LYS  41          2HE       LYS  41   3.225 -11.153  -8.992
  252   2HE   LYS  41          1HE       LYS  41   4.637 -10.156  -9.369
  253   1HZ   LYS  41          1HZ       LYS  41   5.248 -10.676  -6.883
  254   2HZ   LYS  41          2HZ       LYS  41   5.569 -11.786  -8.107
  255   3HZ   LYS  41          3HZ       LYS  41   4.224 -12.011  -7.125
  256    H    TYR  42           H        TYR  42   2.851  -6.823  -4.604
  257    HA   TYR  42           HA       TYR  42   4.106  -5.351  -6.826
  258   1HB   TYR  42          2HB       TYR  42   3.537  -4.256  -4.583
  259   2HB   TYR  42          1HB       TYR  42   4.780  -5.225  -3.861
  260    HD1  TYR  42           1HD      TYR  42   6.459  -3.710  -3.289
  261    HD2  TYR  42           2HD      TYR  42   4.728  -3.564  -7.222
  262    HE1  TYR  42           1HE      TYR  42   8.174  -2.062  -3.988
  263    HE2  TYR  42           2HE      TYR  42   6.443  -1.934  -7.921
  264    HH   TYR  42           HH       TYR  42   8.079  -0.087  -6.159
  265    H    ASN  43           H        ASN  43   6.622  -5.336  -6.714
  266    HA   ASN  43           HA       ASN  43   7.746  -7.863  -5.671
  267   1HB   ASN  43          2HB       ASN  43   8.925  -7.971  -8.081
  268   2HB   ASN  43          1HB       ASN  43   7.342  -8.693  -7.795
  269   1HD2  ASN  43          1HD2      ASN  43   8.055  -5.188  -8.132
  270   2HD2  ASN  43          2HD2      ASN  43   6.978  -5.016  -9.448
  271    H    ASN  44           H        ASN  44   8.045  -4.781  -5.366
  272    HA   ASN  44           HA       ASN  44   9.797  -3.345  -4.851
  273   1HB   ASN  44          2HB       ASN  44  11.494  -5.866  -4.989
  274   2HB   ASN  44          1HB       ASN  44  11.879  -4.359  -4.167
  275   1HD2  ASN  44          1HD2      ASN  44   9.699  -7.163  -4.055
  276   2HD2  ASN  44          2HD2      ASN  44   9.213  -6.877  -2.452
  277    H    TYR  45           H        TYR  45  10.184  -1.992  -6.568
  278    HA   TYR  45           HA       TYR  45  11.814  -3.064  -8.863
  279   1HB   TYR  45          2HB       TYR  45   9.528  -1.095  -8.677
  280   2HB   TYR  45          1HB       TYR  45  10.754  -0.847  -9.928
  281    HD1  TYR  45           1HD      TYR  45  10.446  -4.334  -9.168
  282    HD2  TYR  45           2HD      TYR  45   8.614  -1.140 -11.364
  283    HE1  TYR  45           1HE      TYR  45   9.350  -5.984 -10.585
  284    HE2  TYR  45           2HE      TYR  45   7.498  -2.810 -12.813
  285    HH   TYR  45           HH       TYR  45   6.921  -5.741 -12.177
  286    H    GLU  46           H        GLU  46  11.995  -1.147  -6.130
  287    HA   GLU  46           HA       GLU  46  14.070   0.594  -7.374
  288   1HB   GLU  46          2HB       GLU  46  12.761   2.126  -6.375
  289   2HB   GLU  46          1HB       GLU  46  11.977   0.950  -5.342
  290   1HG   GLU  46          2HG       GLU  46  13.523   1.158  -3.647
  291   2HG   GLU  46          1HG       GLU  46  14.818   1.638  -4.726
  292    H    GLY  47           H        GLY  47  13.362  -1.723  -4.787
  293   1HA   GLY  47          2HA       GLY  47  15.211  -3.233  -4.157
  294   2HA   GLY  47          1HA       GLY  47  16.307  -1.855  -4.207
  295    H    PHE  48           H        PHE  48  13.043  -1.641  -2.889
  296    HA   PHE  48           HA       PHE  48  13.942  -0.484  -0.445
  297   1HB   PHE  48          2HB       PHE  48  11.316  -1.948  -0.974
  298   2HB   PHE  48          1HB       PHE  48  11.624  -0.771   0.310
  299    HD1  PHE  48           1HD      PHE  48  12.771   1.508  -0.628
  300    HD2  PHE  48           2HD      PHE  48  10.152  -1.118  -2.798
  301    HE1  PHE  48           1HE      PHE  48  12.133   3.369  -2.117
  302    HE2  PHE  48           2HE      PHE  48   9.531   0.751  -4.306
  303    HZ   PHE  48           HZ       PHE  48  10.543   2.972  -3.970
  304    H    ASP  49           H        ASP  49  12.739  -1.883   1.618
  305    HA   ASP  49           HA       ASP  49  13.826  -4.643   1.417
  306   1HB   ASP  49          2HB       ASP  49  14.785  -2.427   3.199
  307   2HB   ASP  49          1HB       ASP  49  14.620  -4.021   3.944
  308    H    PHE  50           H        PHE  50  11.950  -2.332   3.395
  309    HA   PHE  50           HA       PHE  50  10.028  -2.701   4.625
  310   1HB   PHE  50          2HB       PHE  50   9.910  -5.337   3.089
  311   2HB   PHE  50          1HB       PHE  50   8.585  -4.602   3.937
  312    HD1  PHE  50           1HD      PHE  50   9.098  -1.686   3.191
  313    HD2  PHE  50           2HD      PHE  50   9.082  -5.307   0.867
  314    HE1  PHE  50           1HE      PHE  50   8.526  -0.388   1.186
  315    HE2  PHE  50           2HE      PHE  50   8.494  -3.985  -1.151
  316    HZ   PHE  50           HZ       PHE  50   8.229  -1.529  -0.995
  317    H    SER  51           H        SER  51   9.005  -4.523   6.155
  318    HA   SER  51           HA       SER  51  11.334  -5.597   7.695
  319   1HB   SER  51          2HB       SER  51   9.254  -4.112   8.586
  320   2HB   SER  51          1HB       SER  51   8.570  -5.722   8.824
  321    HG   SER  51           HG       SER  51   9.842  -4.914  10.615
  322    H    VAL  52           H        VAL  52   8.713  -6.570   5.688
  323    HA   VAL  52           HA       VAL  52   8.832  -9.368   6.704
  324    HB   VAL  52           HB       VAL  52   7.032  -9.113   4.471
  325   1HG1  VAL  52          1HG1      VAL  52   5.393  -9.800   6.112
  326   2HG1  VAL  52          2HG1      VAL  52   6.491  -9.386   7.431
  327   3HG1  VAL  52          3HG1      VAL  52   6.883 -10.715   6.337
  328   1HG2  VAL  52          1HG2      VAL  52   6.656  -6.975   6.601
  329   2HG2  VAL  52          2HG2      VAL  52   5.455  -7.441   5.394
  330   3HG2  VAL  52          3HG2      VAL  52   6.973  -6.736   4.886
  331    H    SER  53           H        SER  53   8.513 -10.924   4.566
  332    HA   SER  53           HA       SER  53  10.338 -10.071   2.389
  333   1HB   SER  53          2HB       SER  53  11.977 -10.914   3.901
  334   2HB   SER  53          1HB       SER  53  10.965 -12.299   4.328
  335    HG   SER  53           HG       SER  53  12.398 -11.813   1.950
  336    H    SER  54           H        SER  54   8.379 -10.371   1.120
  337    HA   SER  54           HA       SER  54   8.119 -13.007   0.021
  338   1HB   SER  54          2HB       SER  54   5.466 -12.399   1.150
  339   2HB   SER  54          1HB       SER  54   6.422 -13.895   1.239
  340    HG   SER  54           HG       SER  54   6.097 -12.956   3.283
  341    HA   PRO  55           HA       PRO  55   6.019 -10.838  -3.168
  342   1HB   PRO  55          2HB       PRO  55   3.720 -12.252  -3.702
  343   2HB   PRO  55          1HB       PRO  55   5.338 -12.769  -4.174
  344   1HG   PRO  55          2HG       PRO  55   3.616 -13.792  -1.950
  345   2HG   PRO  55          1HG       PRO  55   4.847 -14.647  -2.896
  346   1HD   PRO  55          2HD       PRO  55   5.158 -13.655  -0.326
  347   2HD   PRO  55          1HD       PRO  55   6.500 -14.127  -1.372
  348    H    TYR  56           H        TYR  56   5.555  -8.936  -2.153
  349    HA   TYR  56           HA       TYR  56   3.309  -8.603  -0.366
  350   1HB   TYR  56          2HB       TYR  56   4.809  -6.389  -1.796
  351   2HB   TYR  56          1HB       TYR  56   3.972  -6.271  -0.256
  352    HD1  TYR  56           1HD      TYR  56   7.031  -7.214  -1.941
  353    HD2  TYR  56           2HD      TYR  56   4.859  -7.466   1.755
  354    HE1  TYR  56           1HE      TYR  56   9.125  -7.817  -0.745
  355    HE2  TYR  56           2HE      TYR  56   6.949  -8.052   2.929
  356    HH   TYR  56           HH       TYR  56   9.777  -7.505   2.133
  357    H    TYR  57           H        TYR  57   2.040  -6.325  -1.042
  358    HA   TYR  57           HA       TYR  57   1.066  -6.459  -3.801
  359   1HB   TYR  57          2HB       TYR  57  -0.647  -6.982  -1.363
  360   2HB   TYR  57          1HB       TYR  57  -1.352  -6.609  -2.929
  361    HD1  TYR  57           1HD      TYR  57  -1.669  -8.358  -4.516
  362    HD2  TYR  57           2HD      TYR  57   0.861  -9.012  -1.120
  363    HE1  TYR  57           1HE      TYR  57  -1.468 -10.729  -5.141
  364    HE2  TYR  57           2HE      TYR  57   1.037 -11.407  -1.725
  365    HH   TYR  57           HH       TYR  57   0.681 -12.712  -4.315
  366    H    GLU  58           H        GLU  58   0.080  -4.451  -4.413
  367    HA   GLU  58           HA       GLU  58   0.684  -2.281  -2.468
  368   1HB   GLU  58          2HB       GLU  58  -0.123  -1.907  -5.339
  369   2HB   GLU  58          1HB       GLU  58   0.695  -0.805  -4.283
  370   1HG   GLU  58          2HG       GLU  58   2.553  -1.538  -5.277
  371   2HG   GLU  58          1HG       GLU  58   2.395  -2.912  -4.187
  372    H    TRP  59           H        TRP  59  -0.822  -0.798  -1.819
  373    HA   TRP  59           HA       TRP  59  -3.573  -0.880  -2.775
  374   1HB   TRP  59          2HB       TRP  59  -3.779  -2.720  -1.246
  375   2HB   TRP  59          1HB       TRP  59  -2.822  -1.882  -0.024
  376    HD1  TRP  59           HD       TRP  59  -4.018  -0.350   1.615
  377    HE1  TRP  59           1HE      TRP  59  -6.460   0.372   1.971
  378    HE3  TRP  59           3HE      TRP  59  -6.100  -2.229  -2.661
  379    HZ2  TRP  59           2HZ      TRP  59  -8.974   0.164   0.598
  380    HZ3  TRP  59           3HZ      TRP  59  -8.501  -1.968  -3.079
  381    HH2  TRP  59           HH       TRP  59  -9.952  -0.779  -1.504
  382    HA   PRO  60           HA       PRO  60  -2.762   3.311  -1.492
  383   1HB   PRO  60          2HB       PRO  60  -5.297   4.306  -1.865
  384   2HB   PRO  60          1HB       PRO  60  -4.150   3.991  -3.165
  385   1HG   PRO  60          2HG       PRO  60  -6.505   2.371  -2.333
  386   2HG   PRO  60          1HG       PRO  60  -5.848   2.578  -3.950
  387   1HD   PRO  60          2HD       PRO  60  -5.480   0.379  -2.314
  388   2HD   PRO  60          1HD       PRO  60  -4.453   0.769  -3.669
  389    H    ILE  61           H        ILE  61  -3.064   4.626   0.312
  390    HA   ILE  61           HA       ILE  61  -4.851   3.528   2.459
  391    HB   ILE  61           HB       ILE  61  -2.669   3.049   3.218
  392   1HG1  ILE  61          2HG1      ILE  61  -2.272   4.611   5.060
  393   2HG1  ILE  61          1HG1      ILE  61  -3.266   5.850   4.293
  394   1HG2  ILE  61          1HG2      ILE  61  -1.406   4.201   1.490
  395   2HG2  ILE  61          2HG2      ILE  61  -0.809   4.714   3.055
  396   3HG2  ILE  61          3HG2      ILE  61  -1.877   5.770   2.133
  397   1HD1  ILE  61          1HD1      ILE  61  -4.680   4.824   5.868
  398   2HD1  ILE  61          2HD1      ILE  61  -4.054   3.243   5.482
  399   3HD1  ILE  61          3HD1      ILE  61  -5.146   4.035   4.384
  400    H    LEU  62           H        LEU  62  -6.082   5.097   3.566
  401    HA   LEU  62           HA       LEU  62  -5.693   7.937   2.713
  402   1HB   LEU  62          2HB       LEU  62  -8.375   6.884   3.576
  403   2HB   LEU  62          1HB       LEU  62  -7.972   8.186   2.445
  404    HG   LEU  62           HG       LEU  62  -7.779   5.195   1.947
  405   1HD1  LEU  62          1HD1      LEU  62  -9.960   6.619   1.671
  406   2HD1  LEU  62          2HD1      LEU  62  -9.475   5.515   0.402
  407   3HD1  LEU  62          3HD1      LEU  62  -9.165   7.244   0.225
  408   1HD2  LEU  62          1HD2      LEU  62  -6.212   5.555   0.369
  409   2HD2  LEU  62          2HD2      LEU  62  -6.040   7.221   0.919
  410   3HD2  LEU  62          3HD2      LEU  62  -7.139   6.852  -0.314
  411    H    SER  63           H        SER  63  -7.340   9.207   4.443
  412    HA   SER  63           HA       SER  63  -6.253   8.421   7.132
  413   1HB   SER  63          2HB       SER  63  -6.833  11.133   7.315
  414   2HB   SER  63          1HB       SER  63  -5.247  10.446   6.988
  415    HG   SER  63           HG       SER  63  -6.158  12.063   5.439
  416    H    SER  64           H        SER  64  -8.533   7.207   6.516
  417    HA   SER  64           HA       SER  64 -10.461   8.488   8.332
  418   1HB   SER  64          2HB       SER  64 -10.725   8.661   5.417
  419   2HB   SER  64          1HB       SER  64 -12.115   7.847   6.141
  420    HG   SER  64           HG       SER  64 -12.548   9.616   7.343
  421    H    GLY  65           H        GLY  65  -9.891   5.849   5.982
  422   1HA   GLY  65          2HA       GLY  65  -9.888   3.540   6.644
  423   2HA   GLY  65          1HA       GLY  65 -10.904   3.923   8.030
  424    H    ASP  66           H        ASP  66 -11.362   4.916   4.625
  425    HA   ASP  66           HA       ASP  66 -13.967   3.423   4.680
  426   1HB   ASP  66          2HB       ASP  66 -13.182   6.147   3.751
  427   2HB   ASP  66          1HB       ASP  66 -14.278   5.272   2.679
  428    H    VAL  67           H        VAL  67 -11.079   2.701   3.735
  429    HA   VAL  67           HA       VAL  67 -10.207   1.422   2.029
  430    HB   VAL  67           HB       VAL  67 -12.970   1.128   0.825
  431   1HG1  VAL  67          1HG1      VAL  67 -11.158  -0.048  -0.245
  432   2HG1  VAL  67          2HG1      VAL  67 -12.153  -1.213   0.580
  433   3HG1  VAL  67          3HG1      VAL  67 -10.616  -0.729   1.283
  434   1HG2  VAL  67          1HG2      VAL  67 -13.580   0.847   3.069
  435   2HG2  VAL  67          2HG2      VAL  67 -12.020   0.166   3.525
  436   3HG2  VAL  67          3HG2      VAL  67 -13.165  -0.783   2.585
  437    H    TYR  68           H        TYR  68  -9.996   1.428  -0.462
  438    HA   TYR  68           HA       TYR  68 -10.436   4.175  -1.460
  439   1HB   TYR  68          2HB       TYR  68  -8.077   2.986  -1.267
  440   2HB   TYR  68          1HB       TYR  68  -8.557   2.216  -2.791
  441    HD1  TYR  68           1HD      TYR  68  -8.245   3.372  -4.801
  442    HD2  TYR  68           2HD      TYR  68  -8.372   5.542  -1.143
  443    HE1  TYR  68           1HE      TYR  68  -7.634   5.449  -6.012
  444    HE2  TYR  68           2HE      TYR  68  -7.759   7.637  -2.314
  445    HH   TYR  68           HH       TYR  68  -7.824   8.581  -4.579
  446    H    SER  69           H        SER  69 -11.566   4.479  -3.367
  447    HA   SER  69           HA       SER  69 -12.563   2.002  -4.751
  448   1HB   SER  69          2HB       SER  69 -14.034   4.626  -4.321
  449   2HB   SER  69          1HB       SER  69 -14.659   3.209  -5.176
  450    HG   SER  69           HG       SER  69 -15.256   3.439  -2.877
  451    H    GLY  70           H        GLY  70 -11.055   5.122  -5.058
  452   1HA   GLY  70          2HA       GLY  70 -10.006   4.755  -7.578
  453   2HA   GLY  70          1HA       GLY  70 -11.603   5.436  -7.899
  454    H    GLY  71           H        GLY  71  -8.903   6.641  -8.304
  455   1HA   GLY  71          2HA       GLY  71  -9.173   9.259  -8.048
  456   2HA   GLY  71          1HA       GLY  71  -8.935   8.900  -6.343
  457    H    SER  72           H        SER  72  -6.891   9.816  -6.074
  458    HA   SER  72           HA       SER  72  -4.773   9.811  -7.864
  459   1HB   SER  72          2HB       SER  72  -4.521   9.501  -4.858
  460   2HB   SER  72          1HB       SER  72  -3.295  10.150  -5.957
  461    HG   SER  72           HG       SER  72  -5.650  11.316  -5.033
  462    HA   PRO  73           HA       PRO  73  -3.995   5.341  -7.888
  463   1HB   PRO  73          2HB       PRO  73  -2.234   5.409  -9.985
  464   2HB   PRO  73          1HB       PRO  73  -3.982   5.465 -10.177
  465   1HG   PRO  73          2HG       PRO  73  -2.007   7.697 -10.462
  466   2HG   PRO  73          1HG       PRO  73  -3.580   7.485 -11.235
  467   1HD   PRO  73          2HD       PRO  73  -3.035   9.160  -9.015
  468   2HD   PRO  73          1HD       PRO  73  -4.639   8.692  -9.618
  469    H    GLY  74           H        GLY  74  -0.998   7.009  -8.894
  470   1HA   GLY  74          2HA       GLY  74   0.708   5.400  -7.337
  471   2HA   GLY  74          1HA       GLY  74   1.087   6.978  -8.004
  472    H    ALA  75           H        ALA  75   1.642   8.469  -6.463
  473    HA   ALA  75           HA       ALA  75   1.860   9.454  -4.370
  474   1HB   ALA  75          1HB       ALA  75  -1.080   8.749  -4.110
  475   2HB   ALA  75          2HB       ALA  75  -0.481  10.063  -5.120
  476   3HB   ALA  75          3HB       ALA  75  -0.225  10.111  -3.381
  477    H    ASP  76           H        ASP  76   0.693   8.951  -1.891
  478    HA   ASP  76           HA       ASP  76   2.169   6.935  -0.765
  479   1HB   ASP  76          2HB       ASP  76  -0.584   7.987  -0.064
  480   2HB   ASP  76          1HB       ASP  76   0.168   6.728   0.927
  481    H    ARG  77           H        ARG  77   1.877   4.706  -0.311
  482    HA   ARG  77           HA       ARG  77  -0.477   3.273  -1.246
  483   1HB   ARG  77          2HB       ARG  77   0.852   3.811  -3.359
  484   2HB   ARG  77          1HB       ARG  77   2.103   2.742  -2.766
  485   1HG   ARG  77          2HG       ARG  77   0.798   0.843  -2.947
  486   2HG   ARG  77          1HG       ARG  77  -0.722   1.744  -2.867
  487   1HD   ARG  77          2HD       ARG  77   0.861   2.612  -5.136
  488   2HD   ARG  77          1HD       ARG  77   0.604   0.872  -5.199
  489    HE   ARG  77           HE       ARG  77  -1.841   1.605  -4.680
  490   1HH1  ARG  77          1HH1      ARG  77  -0.249   3.878  -6.594
  491   2HH1  ARG  77          2HH1      ARG  77  -1.036   3.445  -8.074
  492   1HH2  ARG  77          1HH2      ARG  77  -2.620   0.681  -6.691
  493   2HH2  ARG  77          2HH2      ARG  77  -2.368   1.599  -8.134
  494    H    VAL  78           H        VAL  78   0.025   2.899   1.146
  495    HA   VAL  78           HA       VAL  78   2.178   1.557   2.199
  496    HB   VAL  78           HB       VAL  78   0.118   2.241   3.459
  497   1HG1  VAL  78          1HG1      VAL  78  -1.671   0.377   3.542
  498   2HG1  VAL  78          2HG1      VAL  78  -1.016  -0.172   2.012
  499   3HG1  VAL  78          3HG1      VAL  78  -1.650   1.438   2.153
  500   1HG2  VAL  78          1HG2      VAL  78   1.464   0.985   4.827
  501   2HG2  VAL  78          2HG2      VAL  78   1.463  -0.415   3.814
  502   3HG2  VAL  78          3HG2      VAL  78   0.075  -0.072   4.797
  503    H    VAL  79           H        VAL  79   2.803  -0.701   2.382
  504    HA   VAL  79           HA       VAL  79   1.488  -2.455   0.340
  505    HB   VAL  79           HB       VAL  79   4.082  -1.511   0.230
  506   1HG1  VAL  79          1HG1      VAL  79   4.339  -4.369   1.119
  507   2HG1  VAL  79          2HG1      VAL  79   4.607  -2.989   2.212
  508   3HG1  VAL  79          3HG1      VAL  79   5.606  -3.197   0.782
  509   1HG2  VAL  79          1HG2      VAL  79   3.173  -4.163  -0.887
  510   2HG2  VAL  79          2HG2      VAL  79   4.352  -3.053  -1.570
  511   3HG2  VAL  79          3HG2      VAL  79   2.650  -2.611  -1.544
  512    H    PHE  80           H        PHE  80   2.053  -4.800   0.742
  513    HA   PHE  80           HA       PHE  80   2.501  -5.656   3.463
  514   1HB   PHE  80          2HB       PHE  80   0.135  -6.369   3.878
  515   2HB   PHE  80          1HB       PHE  80   0.275  -4.624   3.743
  516    HD1  PHE  80           1HD      PHE  80  -1.296  -7.557   2.423
  517    HD2  PHE  80           2HD      PHE  80  -0.179  -3.527   1.450
  518    HE1  PHE  80           1HE      PHE  80  -2.914  -7.543   0.545
  519    HE2  PHE  80           2HE      PHE  80  -1.760  -3.531  -0.417
  520    HZ   PHE  80           HZ       PHE  80  -3.164  -5.521  -0.868
  521    H    ASN  81           H        ASN  81   1.129  -8.075   3.439
  522    HA   ASN  81           HA       ASN  81   1.816  -9.284   0.791
  523   1HB   ASN  81          2HB       ASN  81   2.518 -11.317   2.437
  524   2HB   ASN  81          1HB       ASN  81   3.659 -10.098   1.872
  525   1HD2  ASN  81          1HD2      ASN  81   2.959 -11.664   4.593
  526   2HD2  ASN  81          2HD2      ASN  81   3.314 -10.421   5.728
  527    H    GLU  82           H        GLU  82   0.719 -10.761   3.813
  528    HA   GLU  82           HA       GLU  82  -1.965 -11.009   2.834
  529   1HB   GLU  82          2HB       GLU  82  -1.985 -13.495   2.739
  530   2HB   GLU  82          1HB       GLU  82  -0.888 -12.775   1.551
  531   1HG   GLU  82          2HG       GLU  82   0.887 -13.040   3.535
  532   2HG   GLU  82          1HG       GLU  82  -0.265 -14.273   4.067
  533    H    ASN  83           H        ASN  83  -0.362 -10.143   5.234
  534    HA   ASN  83           HA       ASN  83  -2.057 -11.471   7.250
  535   1HB   ASN  83          2HB       ASN  83   0.947 -11.582   7.106
  536   2HB   ASN  83          1HB       ASN  83   0.182 -11.515   8.706
  537   1HD2  ASN  83          1HD2      ASN  83  -2.094 -13.087   8.279
  538   2HD2  ASN  83          2HD2      ASN  83  -1.574 -14.674   7.869
  539    H    ASN  84           H        ASN  84  -1.543  -8.733   5.895
  540    HA   ASN  84           HA       ASN  84  -1.435  -6.518   6.534
  541   1HB   ASN  84          2HB       ASN  84  -2.993  -5.936   8.234
  542   2HB   ASN  84          1HB       ASN  84  -3.606  -7.466   7.598
  543   1HD2  ASN  84          1HD2      ASN  84  -3.771  -9.201   9.045
  544   2HD2  ASN  84          2HD2      ASN  84  -3.202  -9.128  10.674
  545    H    GLN  85           H        GLN  85   0.812  -8.287   7.342
  546    HA   GLN  85           HA       GLN  85   1.699  -7.473   9.985
  547   1HB   GLN  85          2HB       GLN  85   3.685  -8.293   7.877
  548   2HB   GLN  85          1HB       GLN  85   3.563  -8.771   9.580
  549   1HG   GLN  85          2HG       GLN  85   1.287  -9.835   8.682
  550   2HG   GLN  85          1HG       GLN  85   2.214  -9.910   7.185
  551   1HE2  GLN  85          1HE2      GLN  85   4.667 -10.671   7.895
  552   2HE2  GLN  85          2HE2      GLN  85   4.666 -12.091   8.853
  553    H    LEU  86           H        LEU  86   1.885  -6.205   6.732
  554    HA   LEU  86           HA       LEU  86   2.317  -4.023   6.121
  555   1HB   LEU  86          2HB       LEU  86   2.051  -3.565   8.732
  556   2HB   LEU  86          1HB       LEU  86   3.815  -3.423   8.679
  557    HG   LEU  86           HG       LEU  86   3.007  -1.221   8.337
  558   1HD1  LEU  86          1HD1      LEU  86   4.747  -2.126   6.667
  559   2HD1  LEU  86          2HD1      LEU  86   3.884  -0.666   6.236
  560   3HD1  LEU  86          3HD1      LEU  86   3.404  -2.180   5.508
  561   1HD2  LEU  86          1HD2      LEU  86   1.186  -2.310   6.187
  562   2HD2  LEU  86          2HD2      LEU  86   1.253  -0.657   6.774
  563   3HD2  LEU  86          3HD2      LEU  86   0.651  -1.939   7.824
  564    H    ALA  87           H        ALA  87   3.854  -3.976   4.580
  565    HA   ALA  87           HA       ALA  87   6.584  -4.985   5.195
  566   1HB   ALA  87          1HB       ALA  87   4.880  -5.083   2.905
  567   2HB   ALA  87          2HB       ALA  87   6.455  -5.785   3.139
  568   3HB   ALA  87          3HB       ALA  87   6.351  -4.189   2.481
  569    H    GLY  88           H        GLY  88   4.863  -2.068   4.308
  570   1HA   GLY  88          2HA       GLY  88   6.527  -0.218   5.439
  571   2HA   GLY  88          1HA       GLY  88   7.316  -0.533   3.893
  572    H    VAL  89           H        VAL  89   6.830   1.643   3.174
  573    HA   VAL  89           HA       VAL  89   4.081   1.833   2.080
  574    HB   VAL  89           HB       VAL  89   5.322   3.872   3.915
  575   1HG1  VAL  89          1HG1      VAL  89   3.112   4.176   1.889
  576   2HG1  VAL  89          2HG1      VAL  89   4.535   5.198   2.122
  577   3HG1  VAL  89          3HG1      VAL  89   3.234   5.229   3.301
  578   1HG2  VAL  89          1HG2      VAL  89   3.168   3.647   5.096
  579   2HG2  VAL  89          2HG2      VAL  89   3.931   2.079   4.956
  580   3HG2  VAL  89          3HG2      VAL  89   2.619   2.509   3.886
  581    H    ILE  90           H        ILE  90   4.165   2.522   0.051
  582    HA   ILE  90           HA       ILE  90   6.671   3.885  -0.921
  583    HB   ILE  90           HB       ILE  90   5.817   2.924  -3.128
  584   1HG1  ILE  90          2HG1      ILE  90   3.613   2.226  -1.804
  585   2HG1  ILE  90          1HG1      ILE  90   4.197   1.292  -3.159
  586   1HG2  ILE  90          1HG2      ILE  90   6.993   1.218  -0.955
  587   2HG2  ILE  90          2HG2      ILE  90   7.845   2.139  -2.181
  588   3HG2  ILE  90          3HG2      ILE  90   6.926   0.716  -2.650
  589   1HD1  ILE  90          1HD1      ILE  90   5.025   0.639  -0.320
  590   2HD1  ILE  90          2HD1      ILE  90   5.220  -0.328  -1.777
  591   3HD1  ILE  90          3HD1      ILE  90   3.629  -0.052  -1.124
  592    H    THR  91           H        THR  91   6.377   5.726  -2.224
  593    HA   THR  91           HA       THR  91   3.568   6.554  -2.699
  594    HB   THR  91           HB       THR  91   4.645   7.643  -0.653
  595    HG1  THR  91           1HG      THR  91   3.557   9.481  -1.127
  596   1HG2  THR  91          1HG2      THR  91   6.104   9.320  -2.689
  597   2HG2  THR  91          2HG2      THR  91   6.866   7.911  -1.943
  598   3HG2  THR  91          3HG2      THR  91   6.319   9.244  -0.948
  599    H    HIS  92           H        HIS  92   3.256   7.022  -4.795
  600    HA   HIS  92           HA       HIS  92   5.522   7.259  -6.610
  601   1HB   HIS  92          2HB       HIS  92   2.689   6.808  -6.770
  602   2HB   HIS  92          1HB       HIS  92   3.170   7.854  -8.064
  603    HD1  HIS  92           1HD      HIS  92   5.511   5.309  -6.709
  604    HD2  HIS  92           2HD      HIS  92   2.829   5.625  -9.851
  605    HE1  HIS  92           1HE      HIS  92   6.055   3.414  -8.279
  606    HE2  HIS  92           2HE      HIS  92   4.566   3.731 -10.278
  607    H    THR  93           H        THR  93   6.513   9.186  -5.777
  608    HA   THR  93           HA       THR  93   5.878  11.525  -7.215
  609    HB   THR  93           HB       THR  93   5.208  12.637  -4.691
  610    HG1  THR  93           1HG      THR  93   4.582  10.732  -3.803
  611   1HG2  THR  93          1HG2      THR  93   4.144  13.627  -6.440
  612   2HG2  THR  93          2HG2      THR  93   2.842  12.576  -5.900
  613   3HG2  THR  93          3HG2      THR  93   3.816  12.120  -7.292
  614    H    GLY  94           H        GLY  94   7.758  12.678  -7.213
  615   1HA   GLY  94          2HA       GLY  94   9.494  13.858  -5.937
  616   2HA   GLY  94          1HA       GLY  94   9.501  12.550  -4.760
  617    H    ALA  95           H        ALA  95   9.218  10.692  -7.290
  618    HA   ALA  95           HA       ALA  95  12.150  10.703  -7.927
  619   1HB   ALA  95          1HB       ALA  95  11.562   8.200  -8.472
  620   2HB   ALA  95          2HB       ALA  95  10.190   8.506  -7.400
  621   3HB   ALA  95          3HB       ALA  95  11.826   8.713  -6.809
  622    H    SER  96           H        SER  96  11.895  12.039  -9.804
  623    HA   SER  96           HA       SER  96  11.259  12.536 -11.999
  624   1HB   SER  96          2HB       SER  96  12.385   9.878 -11.825
  625   2HB   SER  96          1HB       SER  96  11.199   9.902 -13.127
  626    HG   SER  96           HG       SER  96  12.309  11.487 -14.137
  627    H    GLY  97           H        GLY  97   9.029  13.108 -11.296
  628   1HA   GLY  97          2HA       GLY  97   6.763  13.039 -11.978
  629   2HA   GLY  97          1HA       GLY  97   7.031  11.463 -12.725
  630    H    ASN  98           H        ASN  98   6.976   9.569 -11.347
  631    HA   ASN  98           HA       ASN  98   5.808  10.076  -8.645
  632   1HB   ASN  98          2HB       ASN  98   4.780   7.620  -9.462
  633   2HB   ASN  98          1HB       ASN  98   3.907   9.123  -9.383
  634   1HD2  ASN  98          1HD2      ASN  98   4.036  10.487 -11.409
  635   2HD2  ASN  98          2HD2      ASN  98   4.106   9.637 -12.911
  636    H    ASN  99           H        ASN  99   6.429   6.881 -10.040
  637    HA   ASN  99           HA       ASN  99   7.866   5.219  -9.366
  638   1HB   ASN  99          2HB       ASN  99   9.471   7.686  -9.366
  639   2HB   ASN  99          1HB       ASN  99  10.086   6.494  -8.234
  640   1HD2  ASN  99          1HD2      ASN  99   8.540   6.171 -11.465
  641   2HD2  ASN  99          2HD2      ASN  99   9.846   5.242 -12.103
  642    H    PHE 100           H        PHE 100   8.016   3.973  -7.485
  643    HA   PHE 100           HA       PHE 100   6.892   5.191  -5.064
  644   1HB   PHE 100          2HB       PHE 100   7.882   2.405  -5.734
  645   2HB   PHE 100          1HB       PHE 100   7.338   2.837  -4.138
  646    HD1  PHE 100           1HD      PHE 100   6.252   1.099  -6.762
  647    HD2  PHE 100           2HD      PHE 100   5.053   4.553  -4.501
  648    HE1  PHE 100           1HE      PHE 100   3.897   0.747  -7.461
  649    HE2  PHE 100           2HE      PHE 100   2.708   4.205  -5.208
  650    HZ   PHE 100           HZ       PHE 100   2.134   2.299  -6.694
  651    H    VAL 101           H        VAL 101   7.898   5.169  -3.026
  652    HA   VAL 101           HA       VAL 101  10.740   4.696  -2.758
  653    HB   VAL 101           HB       VAL 101  10.850   7.270  -1.897
  654   1HG1  VAL 101          1HG1      VAL 101  11.303   6.536  -4.798
  655   2HG1  VAL 101          2HG1      VAL 101  12.364   5.983  -3.503
  656   3HG1  VAL 101          3HG1      VAL 101  12.170   7.703  -3.812
  657   1HG2  VAL 101          1HG2      VAL 101   9.687   8.723  -3.358
  658   2HG2  VAL 101          2HG2      VAL 101   8.483   7.567  -2.831
  659   3HG2  VAL 101          3HG2      VAL 101   9.192   7.424  -4.433
  660    H    GLU 102           H        GLU 102  11.122   4.202  -0.609
  661    HA   GLU 102           HA       GLU 102   8.999   3.835   1.172
  662   1HB   GLU 102          2HB       GLU 102  11.971   4.150   1.612
  663   2HB   GLU 102          1HB       GLU 102  10.877   3.808   2.959
  664   1HG   GLU 102          2HG       GLU 102  10.521   2.080   0.565
  665   2HG   GLU 102          1HG       GLU 102  12.048   1.884   1.437
  666    H    CYS 103           H        CYS 103   7.832   5.250   2.377
  667    HA   CYS 103           HA       CYS 103   8.370   8.084   2.267
  668   1HB   CYS 103          2HB       CYS 103   6.345   6.295   3.554
  669   2HB   CYS 103          1HB       CYS 103   6.578   7.870   4.326
  670    H    THR 104           H        THR 104  10.092   8.934   3.318
  671    HA   THR 104           HA       THR 104  10.795   7.862   6.033
  672    HB   THR 104           HB       THR 104  12.750   7.763   4.727
  673    HG1  THR 104           1HG      THR 104  13.092  10.426   5.612
  674   1HG2  THR 104          1HG2      THR 104  12.100   8.785   2.704
  675   2HG2  THR 104          2HG2      THR 104  13.407   9.794   3.308
  676   3HG2  THR 104          3HG2      THR 104  11.742  10.331   3.483
  Start of MODEL    7
    1   1H    ALA   1          1HT       ALA   1  -0.424  11.243  15.683
    2   2H    ALA   1          2HT       ALA   1   1.206  11.774  15.549
    3   3H    ALA   1          3HT       ALA   1   0.518  11.506  17.095
    4    HA   ALA   1           HA       ALA   1   1.989   9.724  16.510
    5   1HB   ALA   1          1HB       ALA   1  -0.948   8.965  16.437
    6   2HB   ALA   1          2HB       ALA   1   0.015   9.246  17.886
    7   3HB   ALA   1          3HB       ALA   1   0.384   7.877  16.839
    8    H    CYS   2           H        CYS   2   2.988   8.884  14.721
    9    HA   CYS   2           HA       CYS   2   1.791   7.422  12.709
   10   1HB   CYS   2          2HB       CYS   2   1.879   9.227  10.808
   11   2HB   CYS   2          1HB       CYS   2   0.478   9.197  11.880
   12    H    ASP   3           H        ASP   3   3.427   6.400  11.654
   13    HA   ASP   3           HA       ASP   3   6.125   7.685  11.775
   14   1HB   ASP   3          2HB       ASP   3   5.693   5.364  12.789
   15   2HB   ASP   3          1HB       ASP   3   5.518   4.773  11.132
   16    H    TYR   4           H        TYR   4   3.567   7.055   9.616
   17    HA   TYR   4           HA       TYR   4   5.440   7.102   7.288
   18   1HB   TYR   4          2HB       TYR   4   2.549   6.189   7.558
   19   2HB   TYR   4          1HB       TYR   4   3.383   6.344   6.005
   20    HD1  TYR   4           1HD      TYR   4   2.300   3.871   7.905
   21    HD2  TYR   4           2HD      TYR   4   6.093   5.410   6.587
   22    HE1  TYR   4           1HE      TYR   4   3.318   1.626   8.190
   23    HE2  TYR   4           2HE      TYR   4   7.105   3.182   6.883
   24    HH   TYR   4           HH       TYR   4   6.127   0.899   8.624
   25    H    THR   5           H        THR   5   5.465   8.880   6.009
   26    HA   THR   5           HA       THR   5   3.129  10.674   5.944
   27    HB   THR   5           HB       THR   5   5.795  11.858   6.826
   28    HG1  THR   5           1HG      THR   5   5.308  10.651   8.565
   29   1HG2  THR   5          1HG2      THR   5   3.354  13.163   7.673
   30   2HG2  THR   5          2HG2      THR   5   3.367  12.964   5.922
   31   3HG2  THR   5          3HG2      THR   5   4.692  13.795   6.725
   32    H    CYS   6           H        CYS   6   2.959  10.978   3.777
   33    HA   CYS   6           HA       CYS   6   5.431  11.057   2.112
   34   1HB   CYS   6          2HB       CYS   6   2.492  11.044   1.369
   35   2HB   CYS   6          1HB       CYS   6   3.837  10.931   0.220
   36    H    GLY   7           H        GLY   7   4.246  13.220   3.943
   37   1HA   GLY   7          2HA       GLY   7   5.214  15.486   2.750
   38   2HA   GLY   7          1HA       GLY   7   3.549  15.402   2.167
   39    H    SER   8           H        SER   8   1.876  15.027   3.953
   40    HA   SER   8           HA       SER   8   2.607  15.863   6.656
   41   1HB   SER   8          2HB       SER   8   0.783  17.758   5.139
   42   2HB   SER   8          1HB       SER   8   1.604  18.014   6.686
   43    HG   SER   8           HG       SER   8   3.501  18.314   5.641
   44    H    ASN   9           H        ASN   9   1.365  13.562   5.847
   45    HA   ASN   9           HA       ASN   9  -1.557  14.000   6.317
   46   1HB   ASN   9          2HB       ASN   9   0.050  11.685   5.200
   47   2HB   ASN   9          1HB       ASN   9  -1.661  11.543   5.659
   48   1HD2  ASN   9          1HD2      ASN   9  -3.119  12.036   4.053
   49   2HD2  ASN   9          2HD2      ASN   9  -2.751  13.005   2.670
   50    H    CYS  10           H        CYS  10   1.336  12.526   7.710
   51    HA   CYS  10           HA       CYS  10   1.674  11.582   9.763
   52   1HB   CYS  10          2HB       CYS  10   0.692  13.646  10.653
   53   2HB   CYS  10          1HB       CYS  10  -0.940  13.021  10.411
   54    H    TYR  11           H        TYR  11   1.002   9.647   8.241
   55    HA   TYR  11           HA       TYR  11  -1.587   8.422   8.861
   56   1HB   TYR  11          2HB       TYR  11   0.861   7.581   7.283
   57   2HB   TYR  11          1HB       TYR  11  -0.428   6.419   7.623
   58    HD1  TYR  11           1HD      TYR  11  -2.761   6.865   6.869
   59    HD2  TYR  11           2HD      TYR  11   0.559   9.302   5.651
   60    HE1  TYR  11           1HE      TYR  11  -4.088   7.776   5.003
   61    HE2  TYR  11           2HE      TYR  11  -0.787  10.189   3.767
   62    HH   TYR  11           HH       TYR  11  -3.079   9.089   2.418
   63    H    SER  12           H        SER  12  -1.964   7.257  10.667
   64    HA   SER  12           HA       SER  12   0.227   6.556  12.462
   65   1HB   SER  12          2HB       SER  12  -2.402   5.388  13.073
   66   2HB   SER  12          1HB       SER  12  -1.383   6.458  14.030
   67    HG   SER  12           HG       SER  12  -3.392   7.407  13.329
   68    H    SER  13           H        SER  13   1.199   4.567  12.642
   69    HA   SER  13           HA       SER  13   0.977   2.622  10.624
   70   1HB   SER  13          2HB       SER  13   2.867   2.581  12.148
   71   2HB   SER  13          1HB       SER  13   1.802   2.299  13.531
   72    HG   SER  13           HG       SER  13   2.856   0.380  12.623
   73    H    SER  14           H        SER  14  -1.148   3.251  13.307
   74    HA   SER  14           HA       SER  14  -2.391   0.599  13.224
   75   1HB   SER  14          2HB       SER  14  -3.321   1.204  15.200
   76   2HB   SER  14          1HB       SER  14  -2.189   2.559  15.167
   77    HG   SER  14           HG       SER  14  -4.926   2.518  14.667
   78    H    ASP  15           H        ASP  15  -3.107   3.891  12.058
   79    HA   ASP  15           HA       ASP  15  -5.765   3.162  11.137
   80   1HB   ASP  15          2HB       ASP  15  -4.704   5.555  11.637
   81   2HB   ASP  15          1HB       ASP  15  -4.227   5.476   9.937
   82    H    VAL  16           H        VAL  16  -2.515   3.027   9.901
   83    HA   VAL  16           HA       VAL  16  -3.210   2.718   7.124
   84    HB   VAL  16           HB       VAL  16  -0.755   1.633   8.548
   85   1HG1  VAL  16          1HG1      VAL  16  -1.058   0.840   6.238
   86   2HG1  VAL  16          2HG1      VAL  16   0.274   1.987   6.316
   87   3HG1  VAL  16          3HG1      VAL  16  -1.291   2.499   5.681
   88   1HG2  VAL  16          1HG2      VAL  16  -0.045   3.718   8.876
   89   2HG2  VAL  16          2HG2      VAL  16  -1.614   4.349   8.394
   90   3HG2  VAL  16          3HG2      VAL  16  -0.341   4.155   7.204
   91    H    SER  17           H        SER  17  -2.906   0.563   9.894
   92    HA   SER  17           HA       SER  17  -2.957  -1.911   8.482
   93   1HB   SER  17          2HB       SER  17  -2.530  -2.442  10.653
   94   2HB   SER  17          1HB       SER  17  -3.356  -1.008  11.267
   95    HG   SER  17           HG       SER  17  -4.396  -3.040  11.787
   96    H    THR  18           H        THR  18  -5.517   0.305   9.531
   97    HA   THR  18           HA       THR  18  -7.695  -1.491   8.919
   98    HB   THR  18           HB       THR  18  -8.470   1.284   8.508
   99    HG1  THR  18           1HG      THR  18  -7.002   0.899  10.921
  100   1HG2  THR  18          1HG2      THR  18  -8.834  -0.575  10.869
  101   2HG2  THR  18          2HG2      THR  18  -9.885  -0.496   9.452
  102   3HG2  THR  18          3HG2      THR  18  -9.762   0.888  10.537
  103    H    ALA  19           H        ALA  19  -5.858   0.924   7.102
  104    HA   ALA  19           HA       ALA  19  -7.478   0.506   4.675
  105   1HB   ALA  19          1HB       ALA  19  -5.806   2.049   3.656
  106   2HB   ALA  19          2HB       ALA  19  -4.938   2.032   5.196
  107   3HB   ALA  19          3HB       ALA  19  -6.554   2.726   5.110
  108    H    GLN  20           H        GLN  20  -4.970  -1.124   6.263
  109    HA   GLN  20           HA       GLN  20  -3.711  -2.106   3.812
  110   1HB   GLN  20          2HB       GLN  20  -2.841  -1.795   6.494
  111   2HB   GLN  20          1HB       GLN  20  -2.959  -3.514   6.248
  112   1HG   GLN  20          2HG       GLN  20  -1.311  -1.539   4.689
  113   2HG   GLN  20          1HG       GLN  20  -0.787  -2.969   5.589
  114   1HE2  GLN  20          1HE2      GLN  20  -2.508  -4.937   4.706
  115   2HE2  GLN  20          2HE2      GLN  20  -2.458  -5.066   3.006
  116    H    ALA  21           H        ALA  21  -6.065  -3.025   6.223
  117    HA   ALA  21           HA       ALA  21  -6.152  -5.832   5.421
  118   1HB   ALA  21          1HB       ALA  21  -8.144  -5.917   6.876
  119   2HB   ALA  21          2HB       ALA  21  -8.087  -4.161   7.050
  120   3HB   ALA  21          3HB       ALA  21  -6.780  -5.155   7.693
  121    H    ALA  22           H        ALA  22  -7.295  -2.871   4.149
  122    HA   ALA  22           HA       ALA  22  -9.724  -3.926   2.920
  123   1HB   ALA  22          1HB       ALA  22  -9.799  -1.772   1.827
  124   2HB   ALA  22          2HB       ALA  22  -8.159  -1.396   2.299
  125   3HB   ALA  22          3HB       ALA  22  -9.428  -1.524   3.515
  126    H    GLY  23           H        GLY  23  -6.353  -3.263   1.959
  127   1HA   GLY  23          2HA       GLY  23  -6.826  -4.201  -0.800
  128   2HA   GLY  23          1HA       GLY  23  -5.299  -3.700  -0.100
  129    H    TYR  24           H        TYR  24  -6.045  -5.551   2.269
  130    HA   TYR  24           HA       TYR  24  -4.655  -7.887   1.120
  131   1HB   TYR  24          2HB       TYR  24  -3.780  -7.235   3.227
  132   2HB   TYR  24          1HB       TYR  24  -5.392  -7.011   3.914
  133    HD1  TYR  24           1HD      TYR  24  -5.657  -8.549   5.643
  134    HD2  TYR  24           2HD      TYR  24  -3.888  -9.822   1.940
  135    HE1  TYR  24           1HE      TYR  24  -5.630 -10.889   6.462
  136    HE2  TYR  24           2HE      TYR  24  -3.864 -12.162   2.755
  137    HH   TYR  24           HH       TYR  24  -5.595 -13.379   4.985
  138    H    GLN  25           H        GLN  25  -7.581  -7.390   3.144
  139    HA   GLN  25           HA       GLN  25  -8.620  -9.991   2.819
  140   1HB   GLN  25          2HB       GLN  25  -9.696  -7.352   3.610
  141   2HB   GLN  25          1HB       GLN  25 -10.901  -8.361   2.847
  142   1HG   GLN  25          2HG       GLN  25 -11.180  -9.361   4.798
  143   2HG   GLN  25          1HG       GLN  25  -9.619 -10.150   4.557
  144   1HE2  GLN  25          1HE2      GLN  25  -7.890  -9.489   5.879
  145   2HE2  GLN  25          2HE2      GLN  25  -8.046  -8.247   7.069
  146    H    LEU  26           H        LEU  26  -8.806  -7.206   0.654
  147    HA   LEU  26           HA       LEU  26 -10.697  -8.405  -1.170
  148   1HB   LEU  26          2HB       LEU  26  -9.016  -5.996  -1.041
  149   2HB   LEU  26          1HB       LEU  26  -9.042  -6.652  -2.662
  150    HG   LEU  26           HG       LEU  26 -10.887  -4.958  -2.069
  151   1HD1  LEU  26          1HD1      LEU  26 -11.575  -7.711  -3.118
  152   2HD1  LEU  26          2HD1      LEU  26 -10.982  -6.347  -4.062
  153   3HD1  LEU  26          3HD1      LEU  26 -12.580  -6.273  -3.323
  154   1HD2  LEU  26          1HD2      LEU  26 -12.656  -5.601  -0.717
  155   2HD2  LEU  26          2HD2      LEU  26 -11.295  -6.251   0.182
  156   3HD2  LEU  26          3HD2      LEU  26 -12.292  -7.318  -0.814
  157    H    HIS  27           H        HIS  27  -7.152  -8.217  -1.161
  158    HA   HIS  27           HA       HIS  27  -6.619  -9.505  -3.572
  159   1HB   HIS  27          2HB       HIS  27  -4.770  -8.678  -2.297
  160   2HB   HIS  27          1HB       HIS  27  -5.198  -9.674  -0.900
  161    HD1  HIS  27           1HD      HIS  27  -5.044 -10.932  -4.466
  162    HD2  HIS  27           2HD      HIS  27  -2.950 -11.314  -0.878
  163    HE1  HIS  27           1HE      HIS  27  -3.360 -12.780  -4.817
  164    HE2  HIS  27           2HE      HIS  27  -2.311 -13.202  -2.554
  165    H    GLU  28           H        GLU  28  -7.425 -11.023  -0.442
  166    HA   GLU  28           HA       GLU  28  -7.280 -13.701  -1.664
  167   1HB   GLU  28          2HB       GLU  28  -7.173 -12.633   1.005
  168   2HB   GLU  28          1HB       GLU  28  -8.548 -13.731   0.936
  169   1HG   GLU  28          2HG       GLU  28  -7.097 -15.390   1.217
  170   2HG   GLU  28          1HG       GLU  28  -6.588 -15.147  -0.455
  171    H    ASP  29           H        ASP  29  -9.686 -11.275  -1.092
  172    HA   ASP  29           HA       ASP  29 -11.929 -13.095  -1.096
  173   1HB   ASP  29          2HB       ASP  29 -11.852 -10.647  -0.228
  174   2HB   ASP  29          1HB       ASP  29 -12.081 -10.165  -1.910
  175    H    GLY  30           H        GLY  30  -9.901 -11.715  -3.553
  176   1HA   GLY  30          2HA       GLY  30  -9.881 -12.188  -5.842
  177   2HA   GLY  30          1HA       GLY  30 -11.293 -13.224  -5.621
  178    H    GLU  31           H        GLU  31 -11.472  -9.994  -4.341
  179    HA   GLU  31           HA       GLU  31 -13.396  -9.297  -6.524
  180   1HB   GLU  31          2HB       GLU  31 -13.260  -8.812  -3.594
  181   2HB   GLU  31          1HB       GLU  31 -13.753  -7.408  -4.529
  182   1HG   GLU  31          2HG       GLU  31 -15.636  -8.847  -3.783
  183   2HG   GLU  31          1HG       GLU  31 -15.560  -8.586  -5.533
  184    H    THR  32           H        THR  32 -13.463  -6.580  -6.332
  185    HA   THR  32           HA       THR  32 -10.642  -5.693  -6.699
  186    HB   THR  32           HB       THR  32 -12.733  -4.640  -8.594
  187    HG1  THR  32           1HG      THR  32 -11.484  -7.196  -8.903
  188   1HG2  THR  32          1HG2      THR  32 -10.869  -3.743  -9.405
  189   2HG2  THR  32          2HG2      THR  32 -10.331  -5.354  -9.864
  190   3HG2  THR  32          3HG2      THR  32  -9.857  -4.690  -8.306
  191    H    VAL  33           H        VAL  33 -11.068  -3.067  -7.333
  192    HA   VAL  33           HA       VAL  33 -12.260  -2.065  -4.836
  193    HB   VAL  33           HB       VAL  33 -10.698  -0.647  -7.029
  194   1HG1  VAL  33          1HG1      VAL  33 -12.223   0.300  -4.700
  195   2HG1  VAL  33          2HG1      VAL  33 -11.513   1.205  -6.034
  196   3HG1  VAL  33          3HG1      VAL  33 -10.533   0.788  -4.638
  197   1HG2  VAL  33          1HG2      VAL  33  -8.930  -0.647  -5.211
  198   2HG2  VAL  33          2HG2      VAL  33  -9.278  -2.217  -5.936
  199   3HG2  VAL  33          3HG2      VAL  33  -9.953  -1.804  -4.367
  200    H    GLY  34           H        GLY  34 -12.334   0.001  -7.668
  201   1HA   GLY  34          2HA       GLY  34 -15.311  -0.303  -7.773
  202   2HA   GLY  34          1HA       GLY  34 -14.496   1.257  -7.818
  203    H    SER  35           H        SER  35 -12.362  -0.487  -9.475
  204    HA   SER  35           HA       SER  35 -13.376  -1.312 -11.882
  205   1HB   SER  35          2HB       SER  35 -13.548   1.667 -11.588
  206   2HB   SER  35          1HB       SER  35 -12.944   1.060 -13.127
  207    HG   SER  35           HG       SER  35 -15.297   1.289 -12.922
  208    H    ASN  36           H        ASN  36 -11.033   1.091 -10.644
  209    HA   ASN  36           HA       ASN  36  -8.982   0.174 -12.546
  210   1HB   ASN  36          2HB       ASN  36  -9.212   2.300 -10.439
  211   2HB   ASN  36          1HB       ASN  36  -7.585   1.723 -10.813
  212   1HD2  ASN  36          1HD2      ASN  36 -10.491   2.368 -12.851
  213   2HD2  ASN  36          2HD2      ASN  36  -9.616   3.357 -13.958
  214    H    SER  37           H        SER  37 -10.234  -1.314  -9.904
  215    HA   SER  37           HA       SER  37  -9.381  -2.738  -8.299
  216   1HB   SER  37          2HB       SER  37  -7.871  -4.421  -9.227
  217   2HB   SER  37          1HB       SER  37  -8.903  -3.886 -10.554
  218    HG   SER  37           HG       SER  37  -6.669  -3.899 -11.107
  219    H    TYR  38           H        TYR  38  -6.717  -3.548  -7.779
  220    HA   TYR  38           HA       TYR  38  -4.786  -1.631  -7.697
  221   1HB   TYR  38          2HB       TYR  38  -6.992  -0.740  -6.072
  222   2HB   TYR  38          1HB       TYR  38  -5.656  -1.112  -5.016
  223    HD1  TYR  38           1HD      TYR  38  -6.995   1.582  -6.442
  224    HD2  TYR  38           2HD      TYR  38  -3.268  -0.556  -6.478
  225    HE1  TYR  38           1HE      TYR  38  -5.805   3.659  -7.096
  226    HE2  TYR  38           2HE      TYR  38  -2.081   1.512  -7.131
  227    HH   TYR  38           HH       TYR  38  -3.063   3.882  -8.472
  228    HA   PRO  39           HA       PRO  39  -4.085  -4.522  -3.942
  229   1HB   PRO  39          2HB       PRO  39  -5.955  -6.459  -3.499
  230   2HB   PRO  39          1HB       PRO  39  -5.942  -4.877  -2.727
  231   1HG   PRO  39          2HG       PRO  39  -7.704  -5.875  -4.925
  232   2HG   PRO  39          1HG       PRO  39  -8.038  -4.647  -3.693
  233   1HD   PRO  39          2HD       PRO  39  -7.355  -4.183  -6.357
  234   2HD   PRO  39          1HD       PRO  39  -7.346  -2.960  -5.083
  235    H    HIS  40           H        HIS  40  -2.452  -5.336  -5.214
  236    HA   HIS  40           HA       HIS  40  -2.877  -8.095  -6.220
  237   1HB   HIS  40          2HB       HIS  40  -1.112  -6.765  -8.099
  238   2HB   HIS  40          1HB       HIS  40  -2.639  -7.600  -8.406
  239    HD1  HIS  40           1HD      HIS  40  -4.778  -6.203  -8.530
  240    HD2  HIS  40           2HD      HIS  40  -1.338  -3.967  -8.064
  241    HE1  HIS  40           1HE      HIS  40  -5.369  -3.834  -9.085
  242    HE2  HIS  40           2HE      HIS  40  -3.257  -2.501  -8.943
  243    H    LYS  41           H        LYS  41  -0.389  -8.715  -7.104
  244    HA   LYS  41           HA       LYS  41   1.211  -8.264  -4.666
  245   1HB   LYS  41          2HB       LYS  41   1.171 -10.530  -5.055
  246   2HB   LYS  41          1HB       LYS  41   1.178 -10.356  -6.784
  247   1HG   LYS  41          2HG       LYS  41   3.587  -9.434  -5.222
  248   2HG   LYS  41          1HG       LYS  41   3.304 -11.153  -5.419
  249   1HD   LYS  41          2HD       LYS  41   2.851  -9.910  -7.973
  250   2HD   LYS  41          1HD       LYS  41   4.374  -9.300  -7.318
  251   1HE   LYS  41          2HE       LYS  41   3.961 -12.231  -7.008
  252   2HE   LYS  41          1HE       LYS  41   4.093 -11.645  -8.666
  253   1HZ   LYS  41          1HZ       LYS  41   6.046 -11.077  -6.498
  254   2HZ   LYS  41          2HZ       LYS  41   6.155 -10.533  -8.096
  255   3HZ   LYS  41          3HZ       LYS  41   6.258 -12.183  -7.761
  256    H    TYR  42           H        TYR  42   2.915  -6.875  -4.669
  257    HA   TYR  42           HA       TYR  42   3.923  -5.896  -7.278
  258   1HB   TYR  42          2HB       TYR  42   3.098  -4.104  -5.879
  259   2HB   TYR  42          1HB       TYR  42   4.002  -4.712  -4.483
  260    HD1  TYR  42           1HD      TYR  42   5.452  -2.904  -4.015
  261    HD2  TYR  42           2HD      TYR  42   5.173  -4.423  -8.025
  262    HE1  TYR  42           1HE      TYR  42   7.396  -1.519  -4.679
  263    HE2  TYR  42           2HE      TYR  42   7.116  -3.052  -8.685
  264    HH   TYR  42           HH       TYR  42   9.273  -1.870  -6.881
  265    H    ASN  43           H        ASN  43   6.116  -6.182  -7.762
  266    HA   ASN  43           HA       ASN  43   7.561  -8.195  -6.295
  267   1HB   ASN  43          2HB       ASN  43   8.590  -6.245  -8.396
  268   2HB   ASN  43          1HB       ASN  43   9.378  -7.745  -7.882
  269   1HD2  ASN  43          1HD2      ASN  43   8.728  -9.654  -8.893
  270   2HD2  ASN  43          2HD2      ASN  43   7.397  -9.739  -9.990
  271    H    ASN  44           H        ASN  44   8.046  -4.677  -6.606
  272    HA   ASN  44           HA       ASN  44   9.005  -3.175  -5.081
  273   1HB   ASN  44          2HB       ASN  44   8.312  -5.389  -3.445
  274   2HB   ASN  44          1HB       ASN  44   9.964  -4.973  -3.019
  275   1HD2  ASN  44          1HD2      ASN  44  10.177  -2.410  -2.855
  276   2HD2  ASN  44          2HD2      ASN  44   8.898  -1.647  -1.984
  277    H    TYR  45           H        TYR  45  10.440  -3.762  -7.181
  278    HA   TYR  45           HA       TYR  45  13.122  -4.613  -6.157
  279   1HB   TYR  45          2HB       TYR  45  11.719  -4.788  -8.802
  280   2HB   TYR  45          1HB       TYR  45  13.461  -4.501  -8.860
  281    HD1  TYR  45           1HD      TYR  45  11.143  -7.032  -8.937
  282    HD2  TYR  45           2HD      TYR  45  14.781  -5.927  -6.943
  283    HE1  TYR  45           1HE      TYR  45  11.605  -9.422  -8.462
  284    HE2  TYR  45           2HE      TYR  45  15.250  -8.315  -6.470
  285    HH   TYR  45           HH       TYR  45  14.258 -10.724  -7.874
  286    H    GLU  46           H        GLU  46  12.343  -2.108  -5.365
  287    HA   GLU  46           HA       GLU  46  13.664  -0.217  -7.251
  288   1HB   GLU  46          2HB       GLU  46  11.815   0.929  -6.628
  289   2HB   GLU  46          1HB       GLU  46  11.530  -0.078  -5.211
  290   1HG   GLU  46          2HG       GLU  46  12.908   1.203  -3.836
  291   2HG   GLU  46          1HG       GLU  46  13.806   1.881  -5.187
  292    H    GLY  47           H        GLY  47  13.961  -1.781  -4.120
  293   1HA   GLY  47          2HA       GLY  47  16.340  -2.049  -3.367
  294   2HA   GLY  47          1HA       GLY  47  16.549  -0.323  -3.657
  295    H    PHE  48           H        PHE  48  13.482  -1.388  -2.385
  296    HA   PHE  48           HA       PHE  48  13.713   0.259  -0.063
  297   1HB   PHE  48          2HB       PHE  48  11.841  -1.999  -0.871
  298   2HB   PHE  48          1HB       PHE  48  11.654  -1.176   0.677
  299    HD1  PHE  48           1HD      PHE  48  10.999   1.166   0.820
  300    HD2  PHE  48           2HD      PHE  48  11.411  -0.820  -2.965
  301    HE1  PHE  48           1HE      PHE  48   9.720   2.962  -0.274
  302    HE2  PHE  48           2HE      PHE  48  10.138   1.004  -4.058
  303    HZ   PHE  48           HZ       PHE  48   9.296   2.860  -2.701
  304    H    ASP  49           H        ASP  49  12.975  -1.275   2.114
  305    HA   ASP  49           HA       ASP  49  14.759  -3.592   2.256
  306   1HB   ASP  49          2HB       ASP  49  15.507  -0.914   3.304
  307   2HB   ASP  49          1HB       ASP  49  15.651  -2.195   4.505
  308    H    PHE  50           H        PHE  50  11.942  -3.255   2.536
  309    HA   PHE  50           HA       PHE  50  11.146  -3.105   5.285
  310   1HB   PHE  50          2HB       PHE  50   9.796  -4.827   3.196
  311   2HB   PHE  50          1HB       PHE  50   9.053  -4.016   4.571
  312    HD1  PHE  50           1HD      PHE  50  10.393  -1.343   4.388
  313    HD2  PHE  50           2HD      PHE  50   8.654  -3.857   1.364
  314    HE1  PHE  50           1HE      PHE  50   9.946   0.644   2.993
  315    HE2  PHE  50           2HE      PHE  50   8.192  -1.860  -0.022
  316    HZ   PHE  50           HZ       PHE  50   8.813   0.386   0.802
  317    H    SER  51           H        SER  51   9.932  -5.339   6.117
  318    HA   SER  51           HA       SER  51  11.814  -7.629   5.808
  319   1HB   SER  51          2HB       SER  51  11.621  -7.766   8.464
  320   2HB   SER  51          1HB       SER  51  12.822  -6.724   7.706
  321    HG   SER  51           HG       SER  51  11.455  -5.730   9.376
  322    H    VAL  52           H        VAL  52   9.080  -7.172   4.922
  323    HA   VAL  52           HA       VAL  52   7.431  -8.775   6.805
  324    HB   VAL  52           HB       VAL  52   6.745  -7.465   4.156
  325   1HG1  VAL  52          1HG1      VAL  52   5.158  -9.001   6.193
  326   2HG1  VAL  52          2HG1      VAL  52   5.217  -9.226   4.469
  327   3HG1  VAL  52          3HG1      VAL  52   4.370  -7.835   5.127
  328   1HG2  VAL  52          1HG2      VAL  52   6.196  -6.633   7.017
  329   2HG2  VAL  52          2HG2      VAL  52   5.575  -5.856   5.568
  330   3HG2  VAL  52          3HG2      VAL  52   7.299  -5.829   5.893
  331    H    SER  53           H        SER  53   7.760  -8.909   3.223
  332    HA   SER  53           HA       SER  53   8.662 -11.680   3.319
  333   1HB   SER  53          2HB       SER  53   6.046 -11.597   3.741
  334   2HB   SER  53          1HB       SER  53   6.000 -11.294   2.004
  335    HG   SER  53           HG       SER  53   5.944 -13.574   2.701
  336    H    SER  54           H        SER  54   8.452 -12.587   0.934
  337    HA   SER  54           HA       SER  54   9.795 -10.638  -0.780
  338   1HB   SER  54          2HB       SER  54   8.906 -13.125  -2.108
  339   2HB   SER  54          1HB       SER  54  10.509 -12.449  -1.886
  340    HG   SER  54           HG       SER  54  10.717 -13.424   0.034
  341    HA   PRO  55           HA       PRO  55   5.866 -11.201  -3.451
  342   1HB   PRO  55          2HB       PRO  55   3.762 -12.570  -2.351
  343   2HB   PRO  55          1HB       PRO  55   5.055 -13.323  -3.277
  344   1HG   PRO  55          2HG       PRO  55   4.603 -13.369  -0.324
  345   2HG   PRO  55          1HG       PRO  55   5.406 -14.565  -1.350
  346   1HD   PRO  55          2HD       PRO  55   6.639 -12.649   0.274
  347   2HD   PRO  55          1HD       PRO  55   7.436 -13.642  -0.937
  348    H    TYR  56           H        TYR  56   5.931  -8.958  -2.783
  349    HA   TYR  56           HA       TYR  56   4.245  -8.054  -0.577
  350   1HB   TYR  56          2HB       TYR  56   5.762  -6.659  -2.785
  351   2HB   TYR  56          1HB       TYR  56   4.753  -5.764  -1.700
  352    HD1  TYR  56           1HD      TYR  56   7.982  -6.976  -2.239
  353    HD2  TYR  56           2HD      TYR  56   5.122  -6.291   0.881
  354    HE1  TYR  56           1HE      TYR  56   9.817  -6.912  -0.576
  355    HE2  TYR  56           2HE      TYR  56   6.948  -6.223   2.545
  356    HH   TYR  56           HH       TYR  56   9.673  -7.426   2.360
  357    H    TYR  57           H        TYR  57   2.721  -6.062  -1.314
  358    HA   TYR  57           HA       TYR  57   1.240  -6.643  -3.766
  359   1HB   TYR  57          2HB       TYR  57   0.084  -6.953  -1.003
  360   2HB   TYR  57          1HB       TYR  57  -0.957  -6.723  -2.421
  361    HD1  TYR  57           1HD      TYR  57  -1.528  -8.590  -3.766
  362    HD2  TYR  57           2HD      TYR  57   1.683  -8.909  -0.949
  363    HE1  TYR  57           1HE      TYR  57  -1.320 -10.982  -4.284
  364    HE2  TYR  57           2HE      TYR  57   1.857 -11.331  -1.433
  365    HH   TYR  57           HH       TYR  57  -0.093 -13.164  -2.457
  366    H    GLU  58           H        GLU  58   0.058  -4.849  -4.493
  367    HA   GLU  58           HA       GLU  58   0.708  -2.341  -2.988
  368   1HB   GLU  58          2HB       GLU  58  -0.030  -1.319  -5.313
  369   2HB   GLU  58          1HB       GLU  58   1.574  -2.033  -5.105
  370   1HG   GLU  58          2HG       GLU  58   0.867  -4.121  -6.089
  371   2HG   GLU  58          1HG       GLU  58  -0.806  -3.544  -6.175
  372    H    TRP  59           H        TRP  59  -0.871  -0.991  -2.301
  373    HA   TRP  59           HA       TRP  59  -3.608  -1.166  -3.280
  374   1HB   TRP  59          2HB       TRP  59  -3.864  -2.979  -1.769
  375   2HB   TRP  59          1HB       TRP  59  -2.842  -2.217  -0.543
  376    HD1  TRP  59           HD       TRP  59  -3.937  -0.548   1.090
  377    HE1  TRP  59           1HE      TRP  59  -6.364   0.150   1.571
  378    HE3  TRP  59           3HE      TRP  59  -6.250  -2.602  -2.979
  379    HZ2  TRP  59           2HZ      TRP  59  -8.965  -0.148   0.371
  380    HZ3  TRP  59           3HZ      TRP  59  -8.683  -2.397  -3.250
  381    HH2  TRP  59           HH       TRP  59 -10.038  -1.159  -1.640
  382    HA   PRO  60           HA       PRO  60  -3.085   3.078  -2.058
  383   1HB   PRO  60          2HB       PRO  60  -5.716   3.846  -2.167
  384   2HB   PRO  60          1HB       PRO  60  -4.715   3.606  -3.558
  385   1HG   PRO  60          2HG       PRO  60  -6.744   1.757  -2.481
  386   2HG   PRO  60          1HG       PRO  60  -6.366   2.095  -4.158
  387   1HD   PRO  60          2HD       PRO  60  -5.527  -0.116  -2.813
  388   2HD   PRO  60          1HD       PRO  60  -4.643   0.546  -4.123
  389    H    ILE  61           H        ILE  61  -3.125   4.253  -0.192
  390    HA   ILE  61           HA       ILE  61  -4.624   3.072   2.125
  391    HB   ILE  61           HB       ILE  61  -2.429   2.671   2.714
  392   1HG1  ILE  61          2HG1      ILE  61  -1.705   4.286   4.346
  393   2HG1  ILE  61          1HG1      ILE  61  -2.599   5.593   3.563
  394   1HG2  ILE  61          1HG2      ILE  61  -1.410   3.579   0.713
  395   2HG2  ILE  61          2HG2      ILE  61  -0.535   4.175   2.100
  396   3HG2  ILE  61          3HG2      ILE  61  -1.684   5.218   1.272
  397   1HD1  ILE  61          1HD1      ILE  61  -4.509   3.614   4.083
  398   2HD1  ILE  61          2HD1      ILE  61  -4.266   5.090   4.942
  399   3HD1  ILE  61          3HD1      ILE  61  -3.491   3.637   5.475
  400    H    LEU  62           H        LEU  62  -6.014   4.491   3.162
  401    HA   LEU  62           HA       LEU  62  -5.709   7.416   2.549
  402   1HB   LEU  62          2HB       LEU  62  -8.356   6.183   3.287
  403   2HB   LEU  62          1HB       LEU  62  -8.003   7.616   2.306
  404    HG   LEU  62           HG       LEU  62  -7.640   4.712   1.495
  405   1HD1  LEU  62          1HD1      LEU  62  -9.231   5.297  -0.247
  406   2HD1  LEU  62          2HD1      LEU  62  -9.287   6.965   0.310
  407   3HD1  LEU  62          3HD1      LEU  62  -9.926   5.670   1.322
  408   1HD2  LEU  62          1HD2      LEU  62  -7.141   6.482  -0.657
  409   2HD2  LEU  62          2HD2      LEU  62  -6.023   5.386   0.095
  410   3HD2  LEU  62          3HD2      LEU  62  -6.133   7.052   0.645
  411    H    SER  63           H        SER  63  -6.675   8.828   4.261
  412    HA   SER  63           HA       SER  63  -6.163   7.622   6.969
  413   1HB   SER  63          2HB       SER  63  -5.573   9.859   7.701
  414   2HB   SER  63          1HB       SER  63  -4.653   9.512   6.252
  415    HG   SER  63           HG       SER  63  -5.762  11.606   6.324
  416    H    SER  64           H        SER  64  -8.607   8.519   4.927
  417    HA   SER  64           HA       SER  64 -10.328   9.937   6.770
  418   1HB   SER  64          2HB       SER  64 -10.301   9.321   4.009
  419   2HB   SER  64          1HB       SER  64 -11.729   8.507   4.646
  420    HG   SER  64           HG       SER  64 -11.080  11.247   4.677
  421    H    GLY  65           H        GLY  65  -9.902   6.538   5.782
  422   1HA   GLY  65          2HA       GLY  65 -10.318   4.782   7.421
  423   2HA   GLY  65          1HA       GLY  65 -11.614   5.744   8.120
  424    H    ASP  66           H        ASP  66 -10.880   4.886   4.715
  425    HA   ASP  66           HA       ASP  66 -13.327   3.225   4.625
  426   1HB   ASP  66          2HB       ASP  66 -13.244   5.978   3.693
  427   2HB   ASP  66          1HB       ASP  66 -13.467   4.906   2.308
  428    H    VAL  67           H        VAL  67 -13.289   1.737   2.907
  429    HA   VAL  67           HA       VAL  67 -10.670   1.036   1.933
  430    HB   VAL  67           HB       VAL  67 -13.413   0.129   0.975
  431   1HG1  VAL  67          1HG1      VAL  67 -10.685  -1.090   0.588
  432   2HG1  VAL  67          2HG1      VAL  67 -11.630  -0.346  -0.673
  433   3HG1  VAL  67          3HG1      VAL  67 -12.182  -1.822   0.096
  434   1HG2  VAL  67          1HG2      VAL  67 -13.113  -0.361   3.320
  435   2HG2  VAL  67          2HG2      VAL  67 -11.489  -0.964   3.045
  436   3HG2  VAL  67          3HG2      VAL  67 -12.874  -1.856   2.426
  437    H    TYR  68           H        TYR  68  -9.683   1.582  -0.001
  438    HA   TYR  68           HA       TYR  68 -10.324   3.865  -1.412
  439   1HB   TYR  68          2HB       TYR  68  -8.221   2.376  -1.563
  440   2HB   TYR  68          1HB       TYR  68  -9.073   1.480  -2.832
  441    HD1  TYR  68           1HD      TYR  68  -7.997   4.907  -1.810
  442    HD2  TYR  68           2HD      TYR  68  -9.136   2.321  -5.034
  443    HE1  TYR  68           1HE      TYR  68  -7.371   6.669  -3.436
  444    HE2  TYR  68           2HE      TYR  68  -8.510   4.072  -6.667
  445    HH   TYR  68           HH       TYR  68  -7.469   7.296  -5.618
  446    H    SER  69           H        SER  69 -11.473   4.309  -3.360
  447    HA   SER  69           HA       SER  69 -12.836   2.313  -4.903
  448   1HB   SER  69          2HB       SER  69 -14.096   2.286  -2.625
  449   2HB   SER  69          1HB       SER  69 -14.733   3.842  -3.137
  450    HG   SER  69           HG       SER  69 -15.086   1.296  -4.294
  451    H    GLY  70           H        GLY  70 -11.363   4.337  -5.827
  452   1HA   GLY  70          2HA       GLY  70 -11.868   5.762  -7.727
  453   2HA   GLY  70          1HA       GLY  70 -13.417   6.181  -7.006
  454    H    GLY  71           H        GLY  71 -10.441   7.419  -7.619
  455   1HA   GLY  71          2HA       GLY  71 -10.762   9.818  -6.231
  456   2HA   GLY  71          1HA       GLY  71  -9.869   8.782  -5.113
  457    H    SER  72           H        SER  72  -7.769   9.489  -5.219
  458    HA   SER  72           HA       SER  72  -6.634  10.087  -7.909
  459   1HB   SER  72          2HB       SER  72  -4.793  10.720  -5.808
  460   2HB   SER  72          1HB       SER  72  -5.658  11.804  -6.903
  461    HG   SER  72           HG       SER  72  -6.247  12.279  -4.792
  462    HA   PRO  73           HA       PRO  73  -4.615   6.076  -7.258
  463   1HB   PRO  73          2HB       PRO  73  -3.690   5.866  -9.825
  464   2HB   PRO  73          1HB       PRO  73  -5.330   5.455  -9.328
  465   1HG   PRO  73          2HG       PRO  73  -4.372   7.871 -10.818
  466   2HG   PRO  73          1HG       PRO  73  -5.948   7.064 -10.891
  467   1HD   PRO  73          2HD       PRO  73  -5.371   9.436  -9.474
  468   2HD   PRO  73          1HD       PRO  73  -6.814   8.426  -9.266
  469    H    GLY  74           H        GLY  74  -2.642   6.075  -6.247
  470   1HA   GLY  74          2HA       GLY  74  -0.251   6.165  -6.470
  471   2HA   GLY  74          1HA       GLY  74  -0.389   7.627  -7.440
  472    H    ALA  75           H        ALA  75   0.599   9.193  -6.153
  473    HA   ALA  75           HA       ALA  75   0.883  10.646  -4.371
  474   1HB   ALA  75          1HB       ALA  75  -1.812   9.532  -3.495
  475   2HB   ALA  75          2HB       ALA  75  -1.537  10.921  -4.518
  476   3HB   ALA  75          3HB       ALA  75  -1.023  10.958  -2.839
  477    H    ASP  76           H        ASP  76  -0.915   8.299  -2.369
  478    HA   ASP  76           HA       ASP  76   1.680   7.468  -1.150
  479   1HB   ASP  76          2HB       ASP  76  -0.817   8.114   0.451
  480   2HB   ASP  76          1HB       ASP  76   0.822   7.811   1.049
  481    H    ARG  77           H        ARG  77   1.771   5.319  -1.579
  482    HA   ARG  77           HA       ARG  77  -0.721   3.689  -1.161
  483   1HB   ARG  77          2HB       ARG  77   1.371   3.682  -3.268
  484   2HB   ARG  77          1HB       ARG  77   0.960   2.087  -2.648
  485   1HG   ARG  77          2HG       ARG  77  -0.431   2.764  -4.587
  486   2HG   ARG  77          1HG       ARG  77  -1.374   2.424  -3.132
  487   1HD   ARG  77          2HD       ARG  77  -1.295   4.906  -2.676
  488   2HD   ARG  77          1HD       ARG  77  -0.649   5.128  -4.283
  489    HE   ARG  77           HE       ARG  77  -2.903   3.663  -4.718
  490   1HH1  ARG  77          1HH1      ARG  77  -2.369   6.421  -2.653
  491   2HH1  ARG  77          2HH1      ARG  77  -3.769   7.242  -3.214
  492   1HH2  ARG  77          1HH2      ARG  77  -4.685   4.826  -5.499
  493   2HH2  ARG  77          2HH2      ARG  77  -5.083   6.356  -4.811
  494    H    VAL  78           H        VAL  78  -0.509   1.788   0.076
  495    HA   VAL  78           HA       VAL  78   2.090   1.582   1.566
  496    HB   VAL  78           HB       VAL  78   0.040   2.246   2.901
  497   1HG1  VAL  78          1HG1      VAL  78  -1.685   0.672   3.286
  498   2HG1  VAL  78          2HG1      VAL  78  -0.804  -0.639   2.518
  499   3HG1  VAL  78          3HG1      VAL  78  -1.477   0.665   1.542
  500   1HG2  VAL  78          1HG2      VAL  78   0.494   0.536   4.684
  501   2HG2  VAL  78          2HG2      VAL  78   1.944   1.257   4.016
  502   3HG2  VAL  78          3HG2      VAL  78   1.458  -0.364   3.531
  503    H    VAL  79           H        VAL  79   3.129  -0.378   1.507
  504    HA   VAL  79           HA       VAL  79   1.877  -2.506  -0.165
  505    HB   VAL  79           HB       VAL  79   4.717  -2.024   0.751
  506   1HG1  VAL  79          1HG1      VAL  79   4.328  -4.448   0.693
  507   2HG1  VAL  79          2HG1      VAL  79   5.281  -3.979  -0.677
  508   3HG1  VAL  79          3HG1      VAL  79   3.567  -4.301  -0.876
  509   1HG2  VAL  79          1HG2      VAL  79   5.172  -1.448  -1.453
  510   2HG2  VAL  79          2HG2      VAL  79   3.587  -0.724  -1.179
  511   3HG2  VAL  79          3HG2      VAL  79   3.718  -2.227  -2.075
  512    H    PHE  80           H        PHE  80   2.260  -4.749   0.497
  513    HA   PHE  80           HA       PHE  80   2.733  -5.324   3.301
  514   1HB   PHE  80          2HB       PHE  80   0.418  -6.130   3.714
  515   2HB   PHE  80          1HB       PHE  80   0.479  -4.411   3.371
  516    HD1  PHE  80           1HD      PHE  80   0.166  -3.702   0.840
  517    HD2  PHE  80           2HD      PHE  80  -1.061  -7.461   2.511
  518    HE1  PHE  80           1HE      PHE  80  -1.387  -4.011  -1.038
  519    HE2  PHE  80           2HE      PHE  80  -2.637  -7.770   0.624
  520    HZ   PHE  80           HZ       PHE  80  -2.808  -6.043  -1.149
  521    H    ASN  81           H        ASN  81   1.636  -7.834   3.482
  522    HA   ASN  81           HA       ASN  81   2.596  -9.202   0.988
  523   1HB   ASN  81          2HB       ASN  81   4.308  -9.475   2.630
  524   2HB   ASN  81          1HB       ASN  81   3.148  -9.903   3.889
  525   1HD2  ASN  81          1HD2      ASN  81   2.719 -12.110   4.107
  526   2HD2  ASN  81          2HD2      ASN  81   3.154 -13.291   2.928
  527    H    GLU  82           H        GLU  82   1.314 -10.627   3.950
  528    HA   GLU  82           HA       GLU  82  -1.292 -11.147   2.669
  529   1HB   GLU  82          2HB       GLU  82   0.721 -13.320   3.348
  530   2HB   GLU  82          1HB       GLU  82  -1.006 -13.644   3.134
  531   1HG   GLU  82          2HG       GLU  82  -0.795 -12.495   0.852
  532   2HG   GLU  82          1HG       GLU  82   0.959 -12.613   1.086
  533    H    ASN  83           H        ASN  83   0.277 -10.172   5.328
  534    HA   ASN  83           HA       ASN  83  -1.906 -11.163   7.071
  535   1HB   ASN  83          2HB       ASN  83   0.649 -12.204   7.280
  536   2HB   ASN  83          1HB       ASN  83   0.746 -10.850   8.403
  537   1HD2  ASN  83          1HD2      ASN  83   0.917 -13.288   9.557
  538   2HD2  ASN  83          2HD2      ASN  83  -0.569 -13.682  10.345
  539    H    ASN  84           H        ASN  84  -0.881  -8.592   5.602
  540    HA   ASN  84           HA       ASN  84  -0.919  -6.338   6.029
  541   1HB   ASN  84          2HB       ASN  84  -3.134  -6.817   6.972
  542   2HB   ASN  84          1HB       ASN  84  -2.417  -7.257   8.521
  543   1HD2  ASN  84          1HD2      ASN  84  -3.944  -5.419   9.220
  544   2HD2  ASN  84          2HD2      ASN  84  -3.262  -3.863   9.170
  545    H    GLN  85           H        GLN  85   1.335  -7.958   6.950
  546    HA   GLN  85           HA       GLN  85   2.206  -7.115   9.569
  547   1HB   GLN  85          2HB       GLN  85   4.239  -7.573   7.426
  548   2HB   GLN  85          1HB       GLN  85   4.206  -8.161   9.078
  549   1HG   GLN  85          2HG       GLN  85   2.006  -9.423   7.990
  550   2HG   GLN  85          1HG       GLN  85   3.112  -9.384   6.622
  551   1HE2  GLN  85          1HE2      GLN  85   3.492  -9.854  10.173
  552   2HE2  GLN  85          2HE2      GLN  85   4.400 -11.311   9.995
  553    H    LEU  86           H        LEU  86   2.166  -5.682   6.394
  554    HA   LEU  86           HA       LEU  86   2.325  -3.457   5.871
  555   1HB   LEU  86          2HB       LEU  86   2.210  -3.203   8.586
  556   2HB   LEU  86          1HB       LEU  86   3.872  -2.658   8.320
  557    HG   LEU  86           HG       LEU  86   2.373  -0.752   8.226
  558   1HD1  LEU  86          1HD1      LEU  86   3.073  -1.426   5.360
  559   2HD1  LEU  86          2HD1      LEU  86   4.305  -0.993   6.551
  560   3HD1  LEU  86          3HD1      LEU  86   3.033   0.150   6.139
  561   1HD2  LEU  86          1HD2      LEU  86   0.395  -2.312   7.496
  562   2HD2  LEU  86          2HD2      LEU  86   0.957  -1.955   5.861
  563   3HD2  LEU  86          3HD2      LEU  86   0.447  -0.650   6.919
  564    H    ALA  87           H        ALA  87   3.762  -3.387   4.248
  565    HA   ALA  87           HA       ALA  87   6.588  -4.132   4.648
  566   1HB   ALA  87          1HB       ALA  87   5.275  -2.953   2.211
  567   2HB   ALA  87          2HB       ALA  87   5.277  -4.666   2.560
  568   3HB   ALA  87          3HB       ALA  87   6.777  -3.827   2.273
  569    H    GLY  88           H        GLY  88   4.641  -1.237   4.045
  570   1HA   GLY  88          2HA       GLY  88   5.987   0.645   5.439
  571   2HA   GLY  88          1HA       GLY  88   7.025   0.502   4.029
  572    H    VAL  89           H        VAL  89   5.822   2.928   4.455
  573    HA   VAL  89           HA       VAL  89   3.453   2.959   2.616
  574    HB   VAL  89           HB       VAL  89   4.502   4.961   4.612
  575   1HG1  VAL  89          1HG1      VAL  89   2.474   5.261   2.408
  576   2HG1  VAL  89          2HG1      VAL  89   3.811   6.330   2.832
  577   3HG1  VAL  89          3HG1      VAL  89   2.399   6.249   3.868
  578   1HG2  VAL  89          1HG2      VAL  89   3.109   3.096   5.477
  579   2HG2  VAL  89          2HG2      VAL  89   1.887   3.471   4.304
  580   3HG2  VAL  89          3HG2      VAL  89   2.203   4.609   5.578
  581    H    ILE  90           H        ILE  90   4.313   3.021   0.582
  582    HA   ILE  90           HA       ILE  90   6.612   4.827   0.000
  583    HB   ILE  90           HB       ILE  90   6.549   3.807  -2.222
  584   1HG1  ILE  90          2HG1      ILE  90   3.941   2.759  -1.210
  585   2HG1  ILE  90          1HG1      ILE  90   4.409   3.150  -2.837
  586   1HG2  ILE  90          1HG2      ILE  90   6.408   1.709  -0.052
  587   2HG2  ILE  90          2HG2      ILE  90   7.739   2.815  -0.261
  588   3HG2  ILE  90          3HG2      ILE  90   7.376   1.657  -1.528
  589   1HD1  ILE  90          1HD1      ILE  90   5.776   1.045  -2.874
  590   2HD1  ILE  90          2HD1      ILE  90   4.048   0.785  -2.672
  591   3HD1  ILE  90          3HD1      ILE  90   5.116   0.675  -1.286
  592    H    THR  91           H        THR  91   6.400   6.176  -2.042
  593    HA   THR  91           HA       THR  91   3.754   7.541  -2.001
  594    HB   THR  91           HB       THR  91   5.946   8.778  -1.429
  595    HG1  THR  91           1HG      THR  91   5.050  10.588  -2.249
  596   1HG2  THR  91          1HG2      THR  91   6.298   9.018  -4.361
  597   2HG2  THR  91          2HG2      THR  91   7.030   7.658  -3.531
  598   3HG2  THR  91          3HG2      THR  91   7.457   9.304  -3.071
  599    H    HIS  92           H        HIS  92   3.676   8.878  -4.298
  600    HA   HIS  92           HA       HIS  92   4.316   7.067  -6.527
  601   1HB   HIS  92          2HB       HIS  92   1.674   7.347  -5.339
  602   2HB   HIS  92          1HB       HIS  92   1.650   7.761  -7.059
  603    HD1  HIS  92           1HD      HIS  92   2.171   5.888  -8.736
  604    HD2  HIS  92           2HD      HIS  92   2.244   4.659  -4.761
  605    HE1  HIS  92           1HE      HIS  92   2.199   3.371  -8.776
  606    HE2  HIS  92           2HE      HIS  92   2.372   2.602  -6.361
  607    H    THR  93           H        THR  93   5.680   9.202  -6.448
  608    HA   THR  93           HA       THR  93   5.026  10.790  -8.674
  609    HB   THR  93           HB       THR  93   3.846  11.804  -6.102
  610    HG1  THR  93           1HG      THR  93   3.100  11.982  -8.865
  611   1HG2  THR  93          1HG2      THR  93   3.795  14.093  -7.199
  612   2HG2  THR  93          2HG2      THR  93   5.080  13.539  -8.263
  613   3HG2  THR  93          3HG2      THR  93   5.341  13.616  -6.512
  614    H    GLY  94           H        GLY  94   6.649  10.610  -5.548
  615   1HA   GLY  94          2HA       GLY  94   8.501  12.742  -5.963
  616   2HA   GLY  94          1HA       GLY  94   8.721  11.391  -4.854
  617    H    ALA  95           H        ALA  95   8.244   9.739  -7.602
  618    HA   ALA  95           HA       ALA  95  11.122   9.918  -8.413
  619   1HB   ALA  95          1HB       ALA  95  10.843   7.850  -7.301
  620   2HB   ALA  95          2HB       ALA  95  10.761   7.447  -9.016
  621   3HB   ALA  95          3HB       ALA  95   9.281   7.568  -8.058
  622    H    SER  96           H        SER  96  11.342   8.781 -10.690
  623    HA   SER  96           HA       SER  96  10.253  10.354 -12.666
  624   1HB   SER  96          2HB       SER  96  11.645   7.866 -12.611
  625   2HB   SER  96          1HB       SER  96  10.270   7.632 -13.691
  626    HG   SER  96           HG       SER  96  12.091   8.507 -14.773
  627    H    GLY  97           H        GLY  97   8.171  10.733 -13.343
  628   1HA   GLY  97          2HA       GLY  97   5.880  10.377 -13.696
  629   2HA   GLY  97          1HA       GLY  97   6.200   8.639 -13.638
  630    H    ASN  98           H        ASN  98   6.169   7.580 -11.566
  631    HA   ASN  98           HA       ASN  98   5.663   9.054  -9.154
  632   1HB   ASN  98          2HB       ASN  98   3.284   7.556  -9.140
  633   2HB   ASN  98          1HB       ASN  98   3.432   9.282  -9.407
  634   1HD2  ASN  98          1HD2      ASN  98   2.916  10.133 -11.388
  635   2HD2  ASN  98          2HD2      ASN  98   2.512   9.150 -12.750
  636    H    ASN  99           H        ASN  99   7.523   7.053  -9.959
  637    HA   ASN  99           HA       ASN  99   6.861   4.432  -9.262
  638   1HB   ASN  99          2HB       ASN  99   9.185   5.586  -9.990
  639   2HB   ASN  99          1HB       ASN  99   9.487   5.520  -8.252
  640   1HD2  ASN  99          1HD2      ASN  99  11.221   3.983  -9.377
  641   2HD2  ASN  99          2HD2      ASN  99  10.747   2.321  -9.385
  642    H    PHE 100           H        PHE 100   7.938   3.432  -7.025
  643    HA   PHE 100           HA       PHE 100   6.625   5.013  -4.866
  644   1HB   PHE 100          2HB       PHE 100   7.374   2.221  -4.227
  645   2HB   PHE 100          1HB       PHE 100   5.895   3.114  -3.975
  646    HD1  PHE 100           1HD      PHE 100   6.535   0.243  -5.143
  647    HD2  PHE 100           2HD      PHE 100   5.166   3.972  -6.727
  648    HE1  PHE 100           1HE      PHE 100   5.368  -0.940  -7.010
  649    HE2  PHE 100           2HE      PHE 100   4.126   2.786  -8.615
  650    HZ   PHE 100           HZ       PHE 100   4.186   0.323  -8.734
  651    H    VAL 101           H        VAL 101   7.722   5.396  -2.963
  652    HA   VAL 101           HA       VAL 101  10.420   4.417  -2.499
  653    HB   VAL 101           HB       VAL 101  11.003   7.095  -2.359
  654   1HG1  VAL 101          1HG1      VAL 101  12.358   5.226  -3.357
  655   2HG1  VAL 101          2HG1      VAL 101  12.384   6.721  -4.267
  656   3HG1  VAL 101          3HG1      VAL 101  11.390   5.396  -4.828
  657   1HG2  VAL 101          1HG2      VAL 101   9.415   6.738  -4.916
  658   2HG2  VAL 101          2HG2      VAL 101  10.231   8.175  -4.331
  659   3HG2  VAL 101          3HG2      VAL 101   8.839   7.571  -3.484
  660    H    GLU 102           H        GLU 102  10.933   4.569  -0.355
  661    HA   GLU 102           HA       GLU 102   9.046   4.721   1.607
  662   1HB   GLU 102          2HB       GLU 102  11.061   5.812   3.056
  663   2HB   GLU 102          1HB       GLU 102  11.069   4.130   2.524
  664   1HG   GLU 102          2HG       GLU 102  13.182   5.461   2.074
  665   2HG   GLU 102          1HG       GLU 102  12.518   4.593   0.692
  666    H    CYS 103           H        CYS 103   7.915   6.295   2.741
  667    HA   CYS 103           HA       CYS 103   8.062   9.053   1.623
  668   1HB   CYS 103          2HB       CYS 103   6.017   7.454   3.162
  669   2HB   CYS 103          1HB       CYS 103   5.957   9.203   3.227
  670    H    THR 104           H        THR 104   9.819  10.020   2.646
  671    HA   THR 104           HA       THR 104   9.536  10.354   5.614
  672    HB   THR 104           HB       THR 104  11.752   9.820   6.020
  673    HG1  THR 104           1HG      THR 104  13.369  10.338   4.636
  674   1HG2  THR 104          1HG2      THR 104  11.384   8.294   3.435
  675   2HG2  THR 104          2HG2      THR 104  10.608   7.837   4.951
  676   3HG2  THR 104          3HG2      THR 104  12.363   7.838   4.820
  Start of MODEL    8
    1   1H    ALA   1          1HT       ALA   1  -1.621  11.990  15.509
    2   2H    ALA   1          2HT       ALA   1  -0.187  12.888  15.204
    3   3H    ALA   1          3HT       ALA   1  -0.729  12.661  16.813
    4    HA   ALA   1           HA       ALA   1   1.126  11.242  16.343
    5   1HB   ALA   1          1HB       ALA   1  -1.515   9.766  16.559
    6   2HB   ALA   1          2HB       ALA   1  -0.609  10.470  17.896
    7   3HB   ALA   1          3HB       ALA   1   0.067   9.113  16.997
    8    H    CYS   2           H        CYS   2   2.242  10.228  14.724
    9    HA   CYS   2           HA       CYS   2   1.127   8.444  12.865
   10   1HB   CYS   2          2HB       CYS   2   1.134   9.762  10.817
   11   2HB   CYS   2          1HB       CYS   2  -0.019  10.454  11.943
   12    H    ASP   3           H        ASP   3   2.800   7.290  11.970
   13    HA   ASP   3           HA       ASP   3   5.535   8.387  12.391
   14   1HB   ASP   3          2HB       ASP   3   4.905   6.054  13.164
   15   2HB   ASP   3          1HB       ASP   3   4.745   5.591  11.465
   16    H    TYR   4           H        TYR   4   3.350   7.263   9.830
   17    HA   TYR   4           HA       TYR   4   5.426   7.794   7.772
   18   1HB   TYR   4          2HB       TYR   4   2.557   6.793   7.553
   19   2HB   TYR   4          1HB       TYR   4   3.701   6.926   6.205
   20    HD1  TYR   4           1HD      TYR   4   2.414   4.715   8.607
   21    HD2  TYR   4           2HD      TYR   4   6.080   5.834   6.668
   22    HE1  TYR   4           1HE      TYR   4   3.382   2.498   9.153
   23    HE2  TYR   4           2HE      TYR   4   7.050   3.618   7.212
   24    HH   TYR   4           HH       TYR   4   6.256   1.719   9.376
   25    H    THR   5           H        THR   5   5.512  10.103   8.232
   26    HA   THR   5           HA       THR   5   3.088  11.653   7.575
   27    HB   THR   5           HB       THR   5   4.426  12.356   9.524
   28    HG1  THR   5           1HG      THR   5   4.697  14.277   7.421
   29   1HG2  THR   5          1HG2      THR   5   6.624  11.712   7.919
   30   2HG2  THR   5          2HG2      THR   5   6.652  12.555   9.453
   31   3HG2  THR   5          3HG2      THR   5   6.622  13.471   7.958
   32    H    CYS   6           H        CYS   6   2.943  11.248   5.296
   33    HA   CYS   6           HA       CYS   6   5.250  12.072   3.636
   34   1HB   CYS   6          2HB       CYS   6   2.953  10.332   3.273
   35   2HB   CYS   6          1HB       CYS   6   2.965  11.535   1.993
   36    H    GLY   7           H        GLY   7   3.929  13.219   1.451
   37   1HA   GLY   7          2HA       GLY   7   3.755  15.928   2.234
   38   2HA   GLY   7          1HA       GLY   7   3.152  15.279   0.712
   39    H    SER   8           H        SER   8   2.265  16.275   3.939
   40    HA   SER   8           HA       SER   8   0.180  16.776   4.833
   41   1HB   SER   8          2HB       SER   8  -1.472  17.521   3.371
   42   2HB   SER   8          1HB       SER   8  -0.067  17.589   2.299
   43    HG   SER   8           HG       SER   8  -1.773  16.468   1.300
   44    H    ASN   9           H        ASN   9   1.038  14.213   5.272
   45    HA   ASN   9           HA       ASN   9  -1.485  12.627   4.960
   46   1HB   ASN   9          2HB       ASN   9   1.115  11.979   3.978
   47   2HB   ASN   9          1HB       ASN   9   0.867  10.942   5.381
   48   1HD2  ASN   9          1HD2      ASN   9  -1.582  12.139   3.041
   49   2HD2  ASN   9          2HD2      ASN   9  -2.053  10.549   2.586
   50    H    CYS  10           H        CYS  10   1.515  12.258   6.861
   51    HA   CYS  10           HA       CYS  10   1.770  11.815   9.093
   52   1HB   CYS  10          2HB       CYS  10   1.097  14.182   9.265
   53   2HB   CYS  10          1HB       CYS  10  -0.607  13.711   9.289
   54    H    TYR  11           H        TYR  11   0.536   9.717   7.949
   55    HA   TYR  11           HA       TYR  11  -1.925   9.124   9.513
   56   1HB   TYR  11          2HB       TYR  11  -0.503   7.784   7.192
   57   2HB   TYR  11          1HB       TYR  11  -1.733   6.909   8.115
   58    HD1  TYR  11           1HD      TYR  11  -1.736   7.802   5.131
   59    HD2  TYR  11           2HD      TYR  11  -3.503   9.422   8.703
   60    HE1  TYR  11           1HE      TYR  11  -3.529   8.849   3.781
   61    HE2  TYR  11           2HE      TYR  11  -5.255  10.486   7.356
   62    HH   TYR  11           HH       TYR  11  -5.211  11.158   4.389
   63    H    SER  12           H        SER  12  -2.034   7.481  11.046
   64    HA   SER  12           HA       SER  12   0.549   6.836  12.295
   65   1HB   SER  12          2HB       SER  12  -1.488   5.428  13.650
   66   2HB   SER  12          1HB       SER  12  -0.774   6.979  14.102
   67    HG   SER  12           HG       SER  12  -2.417   8.042  13.155
   68    H    SER  13           H        SER  13   1.589   4.916  12.197
   69    HA   SER  13           HA       SER  13   1.105   3.035  10.179
   70   1HB   SER  13          2HB       SER  13   2.804   1.779  11.127
   71   2HB   SER  13          1HB       SER  13   3.107   3.326  11.925
   72    HG   SER  13           HG       SER  13   2.951   1.406  13.325
   73    H    SER  14           H        SER  14  -0.422   3.375  13.309
   74    HA   SER  14           HA       SER  14  -1.559   0.719  13.366
   75   1HB   SER  14          2HB       SER  14  -1.550   3.073  15.058
   76   2HB   SER  14          1HB       SER  14  -3.210   2.508  14.859
   77    HG   SER  14           HG       SER  14  -2.669   0.571  15.709
   78    H    ASP  15           H        ASP  15  -2.702   3.928  12.314
   79    HA   ASP  15           HA       ASP  15  -5.312   2.917  11.508
   80   1HB   ASP  15          2HB       ASP  15  -3.934   5.496  11.591
   81   2HB   ASP  15          1HB       ASP  15  -4.730   5.286  10.031
   82    H    VAL  16           H        VAL  16  -2.137   2.921  10.173
   83    HA   VAL  16           HA       VAL  16  -2.987   2.665   7.406
   84    HB   VAL  16           HB       VAL  16  -0.309   1.881   8.604
   85   1HG1  VAL  16          1HG1      VAL  16  -1.242   2.723   5.841
   86   2HG1  VAL  16          2HG1      VAL  16  -0.621   1.149   6.312
   87   3HG1  VAL  16          3HG1      VAL  16   0.449   2.545   6.295
   88   1HG2  VAL  16          1HG2      VAL  16  -1.536   4.469   8.628
   89   2HG2  VAL  16          2HG2      VAL  16  -0.317   4.481   7.376
   90   3HG2  VAL  16          3HG2      VAL  16   0.118   4.044   8.998
   91    H    SER  17           H        SER  17  -2.349   0.536  10.135
   92    HA   SER  17           HA       SER  17  -2.116  -1.907   8.660
   93   1HB   SER  17          2HB       SER  17  -1.769  -1.307  11.251
   94   2HB   SER  17          1HB       SER  17  -3.413  -1.944  11.361
   95    HG   SER  17           HG       SER  17  -1.720  -3.545  11.572
   96    H    THR  18           H        THR  18  -4.858  -0.012   9.850
   97    HA   THR  18           HA       THR  18  -6.855  -2.016   9.280
   98    HB   THR  18           HB       THR  18  -8.060   0.551   8.966
   99    HG1  THR  18           1HG      THR  18  -7.069   1.820  10.439
  100   1HG2  THR  18          1HG2      THR  18  -7.699  -1.134  11.458
  101   2HG2  THR  18          2HG2      THR  18  -8.952  -1.360  10.234
  102   3HG2  THR  18          3HG2      THR  18  -8.923   0.110  11.205
  103    H    ALA  19           H        ALA  19  -5.783   0.895   7.504
  104    HA   ALA  19           HA       ALA  19  -7.276   0.319   5.122
  105   1HB   ALA  19          1HB       ALA  19  -4.659   1.787   5.480
  106   2HB   ALA  19          2HB       ALA  19  -6.261   2.524   5.527
  107   3HB   ALA  19          3HB       ALA  19  -5.647   1.845   4.015
  108    H    GLN  20           H        GLN  20  -4.457  -1.078   6.541
  109    HA   GLN  20           HA       GLN  20  -3.357  -2.155   4.119
  110   1HB   GLN  20          2HB       GLN  20  -2.499  -1.923   6.775
  111   2HB   GLN  20          1HB       GLN  20  -2.697  -3.647   6.594
  112   1HG   GLN  20          2HG       GLN  20  -0.864  -1.768   5.143
  113   2HG   GLN  20          1HG       GLN  20  -0.513  -3.322   5.908
  114   1HE2  GLN  20          1HE2      GLN  20  -2.357  -5.016   4.770
  115   2HE2  GLN  20          2HE2      GLN  20  -2.287  -4.974   3.065
  116    H    ALA  21           H        ALA  21  -5.571  -3.254   6.647
  117    HA   ALA  21           HA       ALA  21  -5.807  -5.959   5.615
  118   1HB   ALA  21          1HB       ALA  21  -7.733  -6.111   7.154
  119   2HB   ALA  21          2HB       ALA  21  -7.630  -4.373   7.448
  120   3HB   ALA  21          3HB       ALA  21  -6.316  -5.433   7.956
  121    H    ALA  22           H        ALA  22  -6.769  -2.989   4.392
  122    HA   ALA  22           HA       ALA  22  -9.365  -3.803   3.337
  123   1HB   ALA  22          1HB       ALA  22  -9.376  -1.621   2.299
  124   2HB   ALA  22          2HB       ALA  22  -7.663  -1.390   2.628
  125   3HB   ALA  22          3HB       ALA  22  -8.813  -1.442   3.958
  126    H    GLY  23           H        GLY  23  -6.288  -2.736   1.771
  127   1HA   GLY  23          2HA       GLY  23  -6.928  -3.841  -0.795
  128   2HA   GLY  23          1HA       GLY  23  -5.315  -3.473  -0.214
  129    H    TYR  24           H        TYR  24  -5.934  -5.283   2.188
  130    HA   TYR  24           HA       TYR  24  -4.783  -7.679   0.973
  131   1HB   TYR  24          2HB       TYR  24  -3.833  -7.173   3.066
  132   2HB   TYR  24          1HB       TYR  24  -5.392  -6.739   3.772
  133    HD1  TYR  24           1HD      TYR  24  -4.555  -9.777   1.771
  134    HD2  TYR  24           2HD      TYR  24  -5.525  -8.170   5.637
  135    HE1  TYR  24           1HE      TYR  24  -4.801 -12.071   2.661
  136    HE2  TYR  24           2HE      TYR  24  -5.767 -10.469   6.530
  137    HH   TYR  24           HH       TYR  24  -4.565 -13.064   5.344
  138    H    GLN  25           H        GLN  25  -7.612  -7.147   3.138
  139    HA   GLN  25           HA       GLN  25  -8.830  -9.630   2.765
  140   1HB   GLN  25          2HB       GLN  25  -9.586  -7.242   3.970
  141   2HB   GLN  25          1HB       GLN  25 -10.781  -7.389   2.689
  142   1HG   GLN  25          2HG       GLN  25 -11.137  -9.782   3.503
  143   2HG   GLN  25          1HG       GLN  25 -10.154  -9.337   4.911
  144   1HE2  GLN  25          1HE2      GLN  25 -13.199  -9.874   4.454
  145   2HE2  GLN  25          2HE2      GLN  25 -13.923  -8.530   5.262
  146    H    LEU  26           H        LEU  26  -8.813  -6.833   0.619
  147    HA   LEU  26           HA       LEU  26 -10.755  -7.867  -1.232
  148   1HB   LEU  26          2HB       LEU  26  -9.254  -5.483  -0.916
  149   2HB   LEU  26          1HB       LEU  26  -8.719  -6.141  -2.446
  150    HG   LEU  26           HG       LEU  26 -10.685  -4.607  -2.653
  151   1HD1  LEU  26          1HD1      LEU  26 -11.153  -7.519  -3.398
  152   2HD1  LEU  26          2HD1      LEU  26 -10.301  -6.310  -4.363
  153   3HD1  LEU  26          3HD1      LEU  26 -12.014  -6.133  -4.034
  154   1HD2  LEU  26          1HD2      LEU  26 -12.736  -5.088  -1.684
  155   2HD2  LEU  26          2HD2      LEU  26 -11.636  -5.547  -0.393
  156   3HD2  LEU  26          3HD2      LEU  26 -12.366  -6.786  -1.417
  157    H    HIS  27           H        HIS  27  -7.211  -7.949  -1.140
  158    HA   HIS  27           HA       HIS  27  -6.813  -9.247  -3.629
  159   1HB   HIS  27          2HB       HIS  27  -4.907  -8.343  -2.477
  160   2HB   HIS  27          1HB       HIS  27  -5.223  -9.336  -1.047
  161    HD1  HIS  27           1HD      HIS  27  -5.269 -10.600  -4.624
  162    HD2  HIS  27           2HD      HIS  27  -2.968 -10.962  -1.164
  163    HE1  HIS  27           1HE      HIS  27  -3.576 -12.418  -5.080
  164    HE2  HIS  27           2HE      HIS  27  -2.391 -12.831  -2.885
  165    H    GLU  28           H        GLU  28  -7.548 -10.607  -0.418
  166    HA   GLU  28           HA       GLU  28  -7.374 -13.344  -1.521
  167   1HB   GLU  28          2HB       GLU  28  -6.852 -12.332   0.963
  168   2HB   GLU  28          1HB       GLU  28  -8.494 -12.938   1.214
  169   1HG   GLU  28          2HG       GLU  28  -7.901 -15.142   0.585
  170   2HG   GLU  28          1HG       GLU  28  -6.351 -14.626  -0.101
  171    H    ASP  29           H        ASP  29  -9.773 -10.913  -1.153
  172    HA   ASP  29           HA       ASP  29 -12.007 -12.814  -0.958
  173   1HB   ASP  29          2HB       ASP  29 -11.718  -9.814  -1.168
  174   2HB   ASP  29          1HB       ASP  29 -13.273 -10.553  -1.547
  175    H    GLY  30           H        GLY  30  -9.976 -11.673  -3.437
  176   1HA   GLY  30          2HA       GLY  30 -10.065 -11.962  -5.737
  177   2HA   GLY  30          1HA       GLY  30 -11.376 -13.112  -5.466
  178    H    GLU  31           H        GLU  31 -11.999 -10.053  -4.065
  179    HA   GLU  31           HA       GLU  31 -14.048  -9.536  -6.108
  180   1HB   GLU  31          2HB       GLU  31 -14.092  -9.321  -3.394
  181   2HB   GLU  31          1HB       GLU  31 -13.646  -7.669  -3.776
  182   1HG   GLU  31          2HG       GLU  31 -16.023  -7.727  -3.726
  183   2HG   GLU  31          1HG       GLU  31 -15.604  -7.673  -5.443
  184    H    THR  32           H        THR  32 -13.839  -6.550  -5.385
  185    HA   THR  32           HA       THR  32 -11.280  -5.682  -6.339
  186    HB   THR  32           HB       THR  32 -13.266  -4.836  -8.368
  187    HG1  THR  32           1HG      THR  32 -13.618  -6.793  -9.264
  188   1HG2  THR  32          1HG2      THR  32 -10.914  -4.434  -8.594
  189   2HG2  THR  32          2HG2      THR  32 -11.413  -5.537  -9.864
  190   3HG2  THR  32          3HG2      THR  32 -10.529  -6.146  -8.462
  191    H    VAL  33           H        VAL  33 -11.545  -3.230  -7.014
  192    HA   VAL  33           HA       VAL  33 -13.322  -2.009  -4.931
  193    HB   VAL  33           HB       VAL  33 -11.757   0.057  -5.536
  194   1HG1  VAL  33          1HG1      VAL  33 -11.796  -0.939  -3.356
  195   2HG1  VAL  33          2HG1      VAL  33 -10.120  -0.808  -3.874
  196   3HG1  VAL  33          3HG1      VAL  33 -10.927  -2.367  -3.928
  197   1HG2  VAL  33          1HG2      VAL  33 -10.725  -1.386  -7.470
  198   2HG2  VAL  33          2HG2      VAL  33  -9.869  -2.213  -6.175
  199   3HG2  VAL  33          3HG2      VAL  33  -9.655  -0.484  -6.410
  200    H    GLY  34           H        GLY  34 -12.066  -0.093  -7.610
  201   1HA   GLY  34          2HA       GLY  34 -14.812   0.617  -8.337
  202   2HA   GLY  34          1HA       GLY  34 -13.330   1.391  -8.890
  203    H    SER  35           H        SER  35 -13.815  -2.117  -9.021
  204    HA   SER  35           HA       SER  35 -13.999  -3.543 -10.824
  205   1HB   SER  35          2HB       SER  35 -14.775  -1.240 -12.628
  206   2HB   SER  35          1HB       SER  35 -15.367  -2.901 -12.600
  207    HG   SER  35           HG       SER  35 -16.796  -1.220 -11.689
  208    H    ASN  36           H        ASN  36 -11.703  -1.311 -10.401
  209    HA   ASN  36           HA       ASN  36 -10.419  -1.653 -13.064
  210   1HB   ASN  36          2HB       ASN  36 -10.222   0.343 -10.833
  211   2HB   ASN  36          1HB       ASN  36  -8.746   0.009 -11.746
  212   1HD2  ASN  36          1HD2      ASN  36  -8.510   1.533 -13.335
  213   2HD2  ASN  36          2HD2      ASN  36  -9.806   2.147 -14.300
  214    H    SER  37           H        SER  37 -10.387  -2.885  -9.854
  215    HA   SER  37           HA       SER  37  -9.012  -4.510  -8.898
  216   1HB   SER  37          2HB       SER  37  -7.302  -4.689 -11.360
  217   2HB   SER  37          1HB       SER  37  -7.911  -5.965 -10.305
  218    HG   SER  37           HG       SER  37  -9.006  -5.949 -12.302
  219    H    TYR  38           H        TYR  38  -7.906  -3.377  -7.368
  220    HA   TYR  38           HA       TYR  38  -5.460  -1.953  -8.255
  221   1HB   TYR  38          2HB       TYR  38  -7.585  -0.880  -6.910
  222   2HB   TYR  38          1HB       TYR  38  -6.471  -1.235  -5.581
  223    HD1  TYR  38           1HD      TYR  38  -5.548   0.812  -5.049
  224    HD2  TYR  38           2HD      TYR  38  -5.786  -0.292  -9.151
  225    HE1  TYR  38           1HE      TYR  38  -4.139   2.802  -5.652
  226    HE2  TYR  38           2HE      TYR  38  -4.415   1.659  -9.775
  227    HH   TYR  38           HH       TYR  38  -2.514   3.184  -8.201
  228    HA   PRO  39           HA       PRO  39  -3.987  -4.244  -4.366
  229   1HB   PRO  39          2HB       PRO  39  -5.381  -6.467  -3.603
  230   2HB   PRO  39          1HB       PRO  39  -5.687  -4.843  -2.994
  231   1HG   PRO  39          2HG       PRO  39  -7.304  -6.445  -4.921
  232   2HG   PRO  39          1HG       PRO  39  -7.813  -5.135  -3.847
  233   1HD   PRO  39          2HD       PRO  39  -7.294  -4.962  -6.621
  234   2HD   PRO  39          1HD       PRO  39  -7.623  -3.605  -5.507
  235    H    HIS  40           H        HIS  40  -2.256  -4.938  -5.678
  236    HA   HIS  40           HA       HIS  40  -2.411  -7.812  -6.516
  237   1HB   HIS  40          2HB       HIS  40  -0.619  -6.457  -8.337
  238   2HB   HIS  40          1HB       HIS  40  -2.105  -7.341  -8.693
  239    HD1  HIS  40           1HD      HIS  40  -4.358  -5.883  -8.397
  240    HD2  HIS  40           2HD      HIS  40  -0.792  -3.767  -8.826
  241    HE1  HIS  40           1HE      HIS  40  -4.944  -3.608  -9.197
  242    HE2  HIS  40           2HE      HIS  40  -2.860  -2.197  -9.035
  243    H    LYS  41           H        LYS  41   0.173  -8.126  -7.406
  244    HA   LYS  41           HA       LYS  41   1.602  -8.062  -4.905
  245   1HB   LYS  41          2HB       LYS  41   3.159  -9.408  -5.901
  246   2HB   LYS  41          1HB       LYS  41   1.721  -9.815  -6.848
  247   1HG   LYS  41          2HG       LYS  41   2.435  -8.091  -8.542
  248   2HG   LYS  41          1HG       LYS  41   3.949  -7.905  -7.649
  249   1HD   LYS  41          2HD       LYS  41   2.949 -10.356  -9.068
  250   2HD   LYS  41          1HD       LYS  41   4.438  -9.444  -9.358
  251   1HE   LYS  41          2HE       LYS  41   3.831 -11.010  -6.814
  252   2HE   LYS  41          1HE       LYS  41   4.864 -11.529  -8.129
  253   1HZ   LYS  41          1HZ       LYS  41   5.312  -9.152  -6.416
  254   2HZ   LYS  41          2HZ       LYS  41   6.221  -9.506  -7.802
  255   3HZ   LYS  41          3HZ       LYS  41   6.239 -10.560  -6.482
  256    H    TYR  42           H        TYR  42   4.088  -7.332  -5.155
  257    HA   TYR  42           HA       TYR  42   4.212  -4.736  -6.590
  258   1HB   TYR  42          2HB       TYR  42   3.576  -4.182  -4.276
  259   2HB   TYR  42          1HB       TYR  42   4.905  -5.154  -3.673
  260    HD1  TYR  42           1HD      TYR  42   5.126  -3.057  -6.704
  261    HD2  TYR  42           2HD      TYR  42   6.078  -3.386  -2.524
  262    HE1  TYR  42           1HE      TYR  42   6.665  -1.171  -6.915
  263    HE2  TYR  42           2HE      TYR  42   7.587  -1.429  -2.725
  264    HH   TYR  42           HH       TYR  42   8.968  -0.364  -4.968
  265    H    ASN  43           H        ASN  43   5.759  -5.473  -8.035
  266    HA   ASN  43           HA       ASN  43   7.931  -7.216  -7.390
  267   1HB   ASN  43          2HB       ASN  43   7.856  -5.092  -9.570
  268   2HB   ASN  43          1HB       ASN  43   8.890  -6.528  -9.531
  269   1HD2  ASN  43          1HD2      ASN  43   8.036  -8.412 -10.413
  270   2HD2  ASN  43          2HD2      ASN  43   6.379  -8.589 -10.867
  271    H    ASN  44           H        ASN  44   7.490  -3.838  -6.793
  272    HA   ASN  44           HA       ASN  44   8.961  -2.176  -6.073
  273   1HB   ASN  44          2HB       ASN  44  10.085  -2.831  -3.977
  274   2HB   ASN  44          1HB       ASN  44   8.529  -3.611  -4.063
  275   1HD2  ASN  44          1HD2      ASN  44  11.857  -4.270  -3.735
  276   2HD2  ASN  44          2HD2      ASN  44  11.722  -5.972  -3.935
  277    H    TYR  45           H        TYR  45  11.699  -2.909  -4.992
  278    HA   TYR  45           HA       TYR  45  13.790  -3.688  -5.868
  279   1HB   TYR  45          2HB       TYR  45  12.651  -2.958  -8.609
  280   2HB   TYR  45          1HB       TYR  45  14.238  -3.642  -8.279
  281    HD1  TYR  45           1HD      TYR  45  12.225  -4.924 -10.108
  282    HD2  TYR  45           2HD      TYR  45  12.984  -5.426  -5.905
  283    HE1  TYR  45           1HE      TYR  45  11.334  -7.237 -10.209
  284    HE2  TYR  45           2HE      TYR  45  12.094  -7.710  -6.005
  285    HH   TYR  45           HH       TYR  45  11.883  -9.527  -8.317
  286    H    GLU  46           H        GLU  46  11.953  -0.811  -6.369
  287    HA   GLU  46           HA       GLU  46  13.665   1.032  -7.382
  288   1HB   GLU  46          2HB       GLU  46  11.386   1.113  -5.784
  289   2HB   GLU  46          1HB       GLU  46  12.605   1.886  -4.793
  290   1HG   GLU  46          2HG       GLU  46  12.234   2.650  -7.677
  291   2HG   GLU  46          1HG       GLU  46  11.344   3.382  -6.348
  292    H    GLY  47           H        GLY  47  14.024  -0.574  -4.257
  293   1HA   GLY  47          2HA       GLY  47  16.708  -0.560  -3.948
  294   2HA   GLY  47          1HA       GLY  47  16.342   1.113  -3.522
  295    H    PHE  48           H        PHE  48  13.616  -0.141  -2.518
  296    HA   PHE  48           HA       PHE  48  14.700  -0.771   0.192
  297   1HB   PHE  48          2HB       PHE  48  12.031  -0.413   0.600
  298   2HB   PHE  48          1HB       PHE  48  13.214   0.881   0.701
  299    HD1  PHE  48           1HD      PHE  48  13.577   2.427  -1.197
  300    HD2  PHE  48           2HD      PHE  48  10.457  -0.524  -1.244
  301    HE1  PHE  48           1HE      PHE  48  12.461   3.626  -3.056
  302    HE2  PHE  48           2HE      PHE  48   9.343   0.683  -3.091
  303    HZ   PHE  48           HZ       PHE  48  10.360   2.749  -4.018
  304    H    ASP  49           H        ASP  49  13.575  -2.499   1.374
  305    HA   ASP  49           HA       ASP  49  12.066  -4.411  -0.336
  306   1HB   ASP  49          2HB       ASP  49  14.772  -4.760  -0.026
  307   2HB   ASP  49          1HB       ASP  49  14.174  -5.675   1.362
  308    H    PHE  50           H        PHE  50  13.186  -3.492   2.921
  309    HA   PHE  50           HA       PHE  50  11.997  -3.583   4.915
  310   1HB   PHE  50          2HB       PHE  50   9.697  -5.025   3.592
  311   2HB   PHE  50          1HB       PHE  50   9.700  -3.858   4.890
  312    HD1  PHE  50           1HD      PHE  50   8.904  -4.225   1.531
  313    HD2  PHE  50           2HD      PHE  50  10.846  -1.506   4.224
  314    HE1  PHE  50           1HE      PHE  50   8.512  -2.385  -0.066
  315    HE2  PHE  50           2HE      PHE  50  10.441   0.351   2.627
  316    HZ   PHE  50           HZ       PHE  50   9.266  -0.089   0.491
  317    H    SER  51           H        SER  51  10.858  -5.467   6.319
  318    HA   SER  51           HA       SER  51  12.296  -8.019   5.639
  319   1HB   SER  51          2HB       SER  51  11.779  -7.833   8.466
  320   2HB   SER  51          1HB       SER  51  13.324  -7.848   7.618
  321    HG   SER  51           HG       SER  51  11.759  -5.645   8.407
  322    H    VAL  52           H        VAL  52   9.648  -7.480   4.747
  323    HA   VAL  52           HA       VAL  52   7.942  -9.049   6.641
  324    HB   VAL  52           HB       VAL  52   7.406  -7.146   4.384
  325   1HG1  VAL  52          1HG1      VAL  52   5.616  -9.403   5.319
  326   2HG1  VAL  52          2HG1      VAL  52   5.954  -8.869   3.668
  327   3HG1  VAL  52          3HG1      VAL  52   4.932  -7.902   4.702
  328   1HG2  VAL  52          1HG2      VAL  52   6.572  -7.463   7.258
  329   2HG2  VAL  52          2HG2      VAL  52   5.669  -6.452   6.152
  330   3HG2  VAL  52          3HG2      VAL  52   7.359  -6.092   6.474
  331    H    SER  53           H        SER  53   8.082  -8.898   3.053
  332    HA   SER  53           HA       SER  53   8.809 -11.728   2.910
  333   1HB   SER  53          2HB       SER  53   6.082 -11.108   3.180
  334   2HB   SER  53          1HB       SER  53   6.283 -11.394   1.452
  335    HG   SER  53           HG       SER  53   5.876 -13.319   2.676
  336    H    SER  54           H        SER  54   8.831 -12.469   0.583
  337    HA   SER  54           HA       SER  54  10.105 -10.424  -1.054
  338   1HB   SER  54          2HB       SER  54   9.330 -12.897  -2.479
  339   2HB   SER  54          1HB       SER  54  10.903 -12.176  -2.198
  340    HG   SER  54           HG       SER  54  11.102 -13.203  -0.305
  341    HA   PRO  55           HA       PRO  55   6.228 -10.995  -3.803
  342   1HB   PRO  55          2HB       PRO  55   4.173 -12.510  -2.810
  343   2HB   PRO  55          1HB       PRO  55   5.509 -13.161  -3.752
  344   1HG   PRO  55          2HG       PRO  55   5.021 -13.368  -0.807
  345   2HG   PRO  55          1HG       PRO  55   5.878 -14.488  -1.881
  346   1HD   PRO  55          2HD       PRO  55   7.031 -12.622  -0.141
  347   2HD   PRO  55          1HD       PRO  55   7.865 -13.515  -1.410
  348    H    TYR  56           H        TYR  56   6.242  -8.794  -2.937
  349    HA   TYR  56           HA       TYR  56   4.454  -8.146  -0.711
  350   1HB   TYR  56          2HB       TYR  56   6.110  -6.567  -2.688
  351   2HB   TYR  56          1HB       TYR  56   4.966  -5.749  -1.656
  352    HD1  TYR  56           1HD      TYR  56   8.276  -6.720  -1.905
  353    HD2  TYR  56           2HD      TYR  56   5.049  -6.630   0.905
  354    HE1  TYR  56           1HE      TYR  56   9.900  -6.811  -0.030
  355    HE2  TYR  56           2HE      TYR  56   6.650  -6.731   2.760
  356    HH   TYR  56           HH       TYR  56   9.756  -7.652   2.528
  357    H    TYR  57           H        TYR  57   2.845  -6.251  -1.191
  358    HA   TYR  57           HA       TYR  57   1.452  -6.638  -3.740
  359   1HB   TYR  57          2HB       TYR  57   0.229  -7.053  -1.023
  360   2HB   TYR  57          1HB       TYR  57  -0.755  -6.842  -2.483
  361    HD1  TYR  57           1HD      TYR  57  -0.823  -8.579  -4.194
  362    HD2  TYR  57           2HD      TYR  57   1.598  -9.030  -0.701
  363    HE1  TYR  57           1HE      TYR  57  -0.505 -10.956  -4.757
  364    HE2  TYR  57           2HE      TYR  57   1.889 -11.444  -1.221
  365    HH   TYR  57           HH       TYR  57   0.243 -13.215  -2.830
  366    H    GLU  58           H        GLU  58   0.813  -4.739  -4.565
  367    HA   GLU  58           HA       GLU  58   1.237  -2.347  -2.891
  368   1HB   GLU  58          2HB       GLU  58   0.964  -1.106  -4.989
  369   2HB   GLU  58          1HB       GLU  58   2.128  -2.422  -5.173
  370   1HG   GLU  58          2HG       GLU  58   0.937  -3.390  -6.767
  371   2HG   GLU  58          1HG       GLU  58  -0.532  -3.420  -5.810
  372    H    TRP  59           H        TRP  59  -0.317  -1.027  -2.152
  373    HA   TRP  59           HA       TRP  59  -3.036  -1.033  -3.190
  374   1HB   TRP  59          2HB       TRP  59  -3.361  -2.924  -1.762
  375   2HB   TRP  59          1HB       TRP  59  -2.389  -2.205  -0.470
  376    HD1  TRP  59           HD       TRP  59  -3.568  -0.704   1.230
  377    HE1  TRP  59           1HE      TRP  59  -5.985   0.106   1.561
  378    HE3  TRP  59           3HE      TRP  59  -5.624  -2.256  -3.194
  379    HZ2  TRP  59           2HZ      TRP  59  -8.452   0.092   0.108
  380    HZ3  TRP  59           3HZ      TRP  59  -8.018  -1.842  -3.674
  381    HH2  TRP  59           HH       TRP  59  -9.435  -0.678  -2.021
  382    HA   PRO  60           HA       PRO  60  -2.221   3.088  -1.695
  383   1HB   PRO  60          2HB       PRO  60  -4.753   4.112  -2.008
  384   2HB   PRO  60          1HB       PRO  60  -3.602   3.872  -3.320
  385   1HG   PRO  60          2HG       PRO  60  -5.939   2.188  -2.540
  386   2HG   PRO  60          1HG       PRO  60  -5.355   2.544  -4.135
  387   1HD   PRO  60          2HD       PRO  60  -4.904   0.201  -2.757
  388   2HD   PRO  60          1HD       PRO  60  -3.840   0.731  -4.019
  389    H    ILE  61           H        ILE  61  -2.483   4.276   0.180
  390    HA   ILE  61           HA       ILE  61  -4.093   2.958   2.327
  391    HB   ILE  61           HB       ILE  61  -1.880   2.863   3.055
  392   1HG1  ILE  61          2HG1      ILE  61  -1.693   4.370   4.889
  393   2HG1  ILE  61          1HG1      ILE  61  -2.557   5.655   4.054
  394   1HG2  ILE  61          1HG2      ILE  61  -1.547   5.503   1.615
  395   2HG2  ILE  61          2HG2      ILE  61  -0.745   3.973   1.399
  396   3HG2  ILE  61          3HG2      ILE  61  -0.347   4.931   2.778
  397   1HD1  ILE  61          1HD1      ILE  61  -4.235   3.333   4.203
  398   2HD1  ILE  61          2HD1      ILE  61  -4.485   4.918   4.895
  399   3HD1  ILE  61          3HD1      ILE  61  -3.607   3.705   5.769
  400    H    LEU  62           H        LEU  62  -5.766   4.152   3.177
  401    HA   LEU  62           HA       LEU  62  -5.650   7.127   2.935
  402   1HB   LEU  62          2HB       LEU  62  -8.293   5.823   2.504
  403   2HB   LEU  62          1HB       LEU  62  -7.645   7.311   1.815
  404    HG   LEU  62           HG       LEU  62  -6.713   4.521   1.029
  405   1HD1  LEU  62          1HD1      LEU  62  -7.941   4.869  -1.013
  406   2HD1  LEU  62          2HD1      LEU  62  -8.527   6.428  -0.448
  407   3HD1  LEU  62          3HD1      LEU  62  -9.039   4.950   0.360
  408   1HD2  LEU  62          1HD2      LEU  62  -6.240   6.719  -0.804
  409   2HD2  LEU  62          2HD2      LEU  62  -5.104   5.568  -0.156
  410   3HD2  LEU  62          3HD2      LEU  62  -5.472   7.054   0.729
  411    H    SER  63           H        SER  63  -5.899   7.896   4.924
  412    HA   SER  63           HA       SER  63  -7.678   6.462   6.841
  413   1HB   SER  63          2HB       SER  63  -5.674   6.026   7.852
  414   2HB   SER  63          1HB       SER  63  -4.882   7.415   7.171
  415    HG   SER  63           HG       SER  63  -5.722   8.672   8.786
  416    H    SER  64           H        SER  64  -9.221   8.077   5.864
  417    HA   SER  64           HA       SER  64  -9.759  10.179   7.649
  418   1HB   SER  64          2HB       SER  64  -7.656  10.868   5.760
  419   2HB   SER  64          1HB       SER  64  -9.065  11.868   5.462
  420    HG   SER  64           HG       SER  64  -7.678  12.739   7.073
  421    H    GLY  65           H        GLY  65  -9.949   9.009   4.319
  422   1HA   GLY  65          2HA       GLY  65 -12.681  10.220   4.069
  423   2HA   GLY  65          1HA       GLY  65 -11.650   9.718   2.734
  424    H    ASP  66           H        ASP  66 -11.164   7.349   2.584
  425    HA   ASP  66           HA       ASP  66 -12.768   5.464   4.067
  426   1HB   ASP  66          2HB       ASP  66 -14.291   6.786   2.224
  427   2HB   ASP  66          1HB       ASP  66 -13.706   5.480   1.208
  428    H    VAL  67           H        VAL  67 -13.015   3.630   1.695
  429    HA   VAL  67           HA       VAL  67 -10.168   2.839   1.608
  430    HB   VAL  67           HB       VAL  67 -12.596   1.301   0.623
  431   1HG1  VAL  67          1HG1      VAL  67 -10.415   0.513  -0.192
  432   2HG1  VAL  67          2HG1      VAL  67 -11.077  -0.624   0.976
  433   3HG1  VAL  67          3HG1      VAL  67  -9.795   0.486   1.464
  434   1HG2  VAL  67          1HG2      VAL  67 -12.946   1.823   2.974
  435   2HG2  VAL  67          2HG2      VAL  67 -11.292   1.348   3.364
  436   3HG2  VAL  67          3HG2      VAL  67 -12.459   0.139   2.828
  437    H    TYR  68           H        TYR  68  -9.074   2.576  -0.383
  438    HA   TYR  68           HA       TYR  68  -9.626   4.346  -2.474
  439   1HB   TYR  68          2HB       TYR  68  -7.473   3.280  -2.333
  440   2HB   TYR  68          1HB       TYR  68  -8.173   1.680  -2.586
  441    HD1  TYR  68           1HD      TYR  68  -7.576   4.985  -4.175
  442    HD2  TYR  68           2HD      TYR  68  -8.653   0.871  -4.775
  443    HE1  TYR  68           1HE      TYR  68  -7.369   5.291  -6.628
  444    HE2  TYR  68           2HE      TYR  68  -8.450   1.174  -7.227
  445    HH   TYR  68           HH       TYR  68  -6.917   3.128  -8.743
  446    H    SER  69           H        SER  69 -11.767   4.343  -3.221
  447    HA   SER  69           HA       SER  69 -12.584   1.895  -4.747
  448   1HB   SER  69          2HB       SER  69 -14.625   1.773  -3.730
  449   2HB   SER  69          1HB       SER  69 -13.796   2.577  -2.392
  450    HG   SER  69           HG       SER  69 -15.649   3.592  -4.194
  451    H    GLY  70           H        GLY  70 -11.335   4.540  -5.505
  452   1HA   GLY  70          2HA       GLY  70 -11.884   5.277  -7.853
  453   2HA   GLY  70          1HA       GLY  70 -13.535   5.539  -7.300
  454    H    GLY  71           H        GLY  71 -10.185   6.637  -6.866
  455   1HA   GLY  71          2HA       GLY  71 -11.180   9.389  -6.454
  456   2HA   GLY  71          1HA       GLY  71 -10.350   8.678  -5.065
  457    H    SER  72           H        SER  72  -8.254   9.338  -5.003
  458    HA   SER  72           HA       SER  72  -6.771   9.527  -7.599
  459   1HB   SER  72          2HB       SER  72  -7.408  11.721  -6.324
  460   2HB   SER  72          1HB       SER  72  -6.054  11.296  -5.275
  461    HG   SER  72           HG       SER  72  -4.685  11.435  -6.986
  462    HA   PRO  73           HA       PRO  73  -4.442   6.577  -5.005
  463   1HB   PRO  73          2HB       PRO  73  -3.344   5.273  -7.149
  464   2HB   PRO  73          1HB       PRO  73  -4.933   4.917  -6.501
  465   1HG   PRO  73          2HG       PRO  73  -4.201   6.396  -8.998
  466   2HG   PRO  73          1HG       PRO  73  -5.652   5.442  -8.649
  467   1HD   PRO  73          2HD       PRO  73  -5.465   8.260  -8.601
  468   2HD   PRO  73          1HD       PRO  73  -6.792   7.299  -7.921
  469    H    GLY  74           H        GLY  74  -1.906   5.770  -5.997
  470   1HA   GLY  74          2HA       GLY  74   0.295   6.535  -6.206
  471   2HA   GLY  74          1HA       GLY  74  -0.349   7.985  -6.963
  472    H    ALA  75           H        ALA  75   0.931   9.478  -5.763
  473    HA   ALA  75           HA       ALA  75   1.595  10.702  -3.889
  474   1HB   ALA  75          1HB       ALA  75  -1.318  10.084  -3.363
  475   2HB   ALA  75          2HB       ALA  75  -0.597  11.571  -3.957
  476   3HB   ALA  75          3HB       ALA  75  -0.377  11.106  -2.275
  477    H    ASP  76           H        ASP  76  -0.616   8.909  -1.802
  478    HA   ASP  76           HA       ASP  76   1.771   7.703  -0.490
  479   1HB   ASP  76          2HB       ASP  76  -0.930   8.414   0.680
  480   2HB   ASP  76          1HB       ASP  76   0.440   7.725   1.567
  481    H    ARG  77           H        ARG  77   1.795   5.539  -0.098
  482    HA   ARG  77           HA       ARG  77  -0.620   3.889  -0.394
  483   1HB   ARG  77          2HB       ARG  77   1.703   3.298  -2.222
  484   2HB   ARG  77          1HB       ARG  77   0.060   2.642  -2.271
  485   1HG   ARG  77          2HG       ARG  77  -0.803   4.873  -2.878
  486   2HG   ARG  77          1HG       ARG  77   0.851   5.509  -2.862
  487   1HD   ARG  77          2HD       ARG  77   0.297   5.014  -5.115
  488   2HD   ARG  77          1HD       ARG  77   1.471   3.827  -4.569
  489    HE   ARG  77           HE       ARG  77  -1.114   3.785  -4.439
  490   1HH1  ARG  77          1HH2      ARG  77   1.095   3.618  -6.648
  491   2HH1  ARG  77          2HH2      ARG  77   0.565   2.348  -7.681
  492   1HH2  ARG  77          1HH1      ARG  77  -1.846   1.139  -5.506
  493   2HH2  ARG  77          2HH1      ARG  77  -1.097   0.959  -7.058
  494    H    VAL  78           H        VAL  78  -0.126   1.615   0.314
  495    HA   VAL  78           HA       VAL  78   2.523   1.377   1.688
  496    HB   VAL  78           HB       VAL  78   0.777   2.092   3.327
  497   1HG1  VAL  78          1HG1      VAL  78  -1.042   0.600   3.868
  498   2HG1  VAL  78          2HG1      VAL  78  -0.488  -0.603   2.713
  499   3HG1  VAL  78          3HG1      VAL  78  -1.125   0.940   2.145
  500   1HG2  VAL  78          1HG2      VAL  78   1.682  -0.778   3.730
  501   2HG2  VAL  78          2HG2      VAL  78   1.311   0.410   4.974
  502   3HG2  VAL  78          3HG2      VAL  78   2.725   0.622   3.955
  503    H    VAL  79           H        VAL  79   3.362  -0.726   1.776
  504    HA   VAL  79           HA       VAL  79   1.888  -2.725   0.102
  505    HB   VAL  79           HB       VAL  79   4.808  -2.147   0.567
  506   1HG1  VAL  79          1HG1      VAL  79   4.456  -4.595   1.079
  507   2HG1  VAL  79          2HG1      VAL  79   5.439  -4.279  -0.304
  508   3HG1  VAL  79          3HG1      VAL  79   3.771  -4.774  -0.506
  509   1HG2  VAL  79          1HG2      VAL  79   4.803  -1.728  -1.636
  510   2HG2  VAL  79          2HG2      VAL  79   3.047  -1.666  -1.511
  511   3HG2  VAL  79          3HG2      VAL  79   3.842  -3.138  -2.033
  512    H    PHE  80           H        PHE  80   2.222  -4.995   0.710
  513    HA   PHE  80           HA       PHE  80   2.818  -5.514   3.540
  514   1HB   PHE  80          2HB       PHE  80   0.490  -6.452   3.880
  515   2HB   PHE  80          1HB       PHE  80   0.571  -4.716   3.667
  516    HD1  PHE  80           1HD      PHE  80   0.286  -3.797   1.213
  517    HD2  PHE  80           2HD      PHE  80  -0.959  -7.693   2.520
  518    HE1  PHE  80           1HE      PHE  80  -1.220  -3.946  -0.713
  519    HE2  PHE  80           2HE      PHE  80  -2.502  -7.832   0.584
  520    HZ   PHE  80           HZ       PHE  80  -2.635  -5.955  -1.032
  521    H    ASN  81           H        ASN  81   1.746  -8.046   3.780
  522    HA   ASN  81           HA       ASN  81   3.150  -9.485   1.561
  523   1HB   ASN  81          2HB       ASN  81   4.171 -10.000   3.621
  524   2HB   ASN  81          1HB       ASN  81   2.643 -10.186   4.466
  525   1HD2  ASN  81          1HD2      ASN  81   2.953 -12.394   5.052
  526   2HD2  ASN  81          2HD2      ASN  81   3.078 -13.648   3.869
  527    H    GLU  82           H        GLU  82   0.762 -10.694   3.867
  528    HA   GLU  82           HA       GLU  82  -1.368 -10.904   1.912
  529   1HB   GLU  82          2HB       GLU  82  -1.335 -13.394   1.751
  530   2HB   GLU  82          1HB       GLU  82   0.097 -12.667   1.044
  531   1HG   GLU  82          2HG       GLU  82   1.322 -14.031   2.344
  532   2HG   GLU  82          1HG       GLU  82   0.867 -12.979   3.682
  533    H    ASN  83           H        ASN  83  -0.713 -10.214   4.817
  534    HA   ASN  83           HA       ASN  83  -3.097 -11.528   5.942
  535   1HB   ASN  83          2HB       ASN  83  -0.321 -12.140   6.734
  536   2HB   ASN  83          1HB       ASN  83  -1.372 -11.735   8.098
  537   1HD2  ASN  83          1HD2      ASN  83  -3.587 -12.940   7.986
  538   2HD2  ASN  83          2HD2      ASN  83  -3.489 -14.591   7.487
  539    H    ASN  84           H        ASN  84  -2.045  -8.777   5.110
  540    HA   ASN  84           HA       ASN  84  -2.601  -6.668   5.847
  541   1HB   ASN  84          2HB       ASN  84  -4.190  -6.507   7.419
  542   2HB   ASN  84          1HB       ASN  84  -4.141  -8.244   7.590
  543   1HD2  ASN  84          1HD2      ASN  84  -3.539  -5.247   9.159
  544   2HD2  ASN  84          2HD2      ASN  84  -2.832  -5.903  10.591
  545    H    GLN  85           H        GLN  85  -0.060  -8.480   6.603
  546    HA   GLN  85           HA       GLN  85   1.161  -7.264   8.844
  547   1HB   GLN  85          2HB       GLN  85   2.056  -8.830   6.478
  548   2HB   GLN  85          1HB       GLN  85   3.307  -7.805   7.152
  549   1HG   GLN  85          2HG       GLN  85   3.431  -9.919   8.251
  550   2HG   GLN  85          1HG       GLN  85   2.809  -8.743   9.420
  551   1HE2  GLN  85          1HE2      GLN  85   1.348  -9.931  10.662
  552   2HE2  GLN  85          2HE2      GLN  85   0.078 -10.890   9.989
  553    H    LEU  86           H        LEU  86   3.556  -6.057   7.924
  554    HA   LEU  86           HA       LEU  86   2.608  -3.803   6.259
  555   1HB   LEU  86          2HB       LEU  86   2.615  -3.537   8.969
  556   2HB   LEU  86          1HB       LEU  86   4.291  -3.099   8.642
  557    HG   LEU  86           HG       LEU  86   2.966  -1.072   8.554
  558   1HD1  LEU  86          1HD1      LEU  86   3.464  -1.871   5.669
  559   2HD1  LEU  86          2HD1      LEU  86   4.779  -1.506   6.795
  560   3HD1  LEU  86          3HD1      LEU  86   3.580  -0.281   6.410
  561   1HD2  LEU  86          1HD2      LEU  86   0.808  -2.360   8.046
  562   2HD2  LEU  86          2HD2      LEU  86   1.309  -2.327   6.355
  563   3HD2  LEU  86          3HD2      LEU  86   1.027  -0.824   7.217
  564    H    ALA  87           H        ALA  87   3.954  -3.921   4.562
  565    HA   ALA  87           HA       ALA  87   6.738  -4.815   4.855
  566   1HB   ALA  87          1HB       ALA  87   6.858  -4.563   2.476
  567   2HB   ALA  87          2HB       ALA  87   5.428  -3.548   2.461
  568   3HB   ALA  87          3HB       ALA  87   5.267  -5.256   2.845
  569    H    GLY  88           H        GLY  88   5.021  -1.802   4.123
  570   1HA   GLY  88          2HA       GLY  88   6.626  -0.014   5.479
  571   2HA   GLY  88          1HA       GLY  88   7.481  -0.232   3.947
  572    H    VAL  89           H        VAL  89   5.858   2.091   5.099
  573    HA   VAL  89           HA       VAL  89   3.562   2.274   3.271
  574    HB   VAL  89           HB       VAL  89   4.822   4.240   5.147
  575   1HG1  VAL  89          1HG1      VAL  89   2.500   4.519   3.255
  576   2HG1  VAL  89          2HG1      VAL  89   3.856   5.619   3.498
  577   3HG1  VAL  89          3HG1      VAL  89   2.608   5.493   4.720
  578   1HG2  VAL  89          1HG2      VAL  89   2.313   2.583   5.191
  579   2HG2  VAL  89          2HG2      VAL  89   2.593   3.848   6.331
  580   3HG2  VAL  89          3HG2      VAL  89   3.659   2.445   6.284
  581    H    ILE  90           H        ILE  90   4.336   2.266   1.185
  582    HA   ILE  90           HA       ILE  90   6.538   4.012   0.358
  583    HB   ILE  90           HB       ILE  90   5.833   3.317  -1.930
  584   1HG1  ILE  90          2HG1      ILE  90   3.510   2.292  -0.443
  585   2HG1  ILE  90          1HG1      ILE  90   3.663   2.632  -2.139
  586   1HG2  ILE  90          1HG2      ILE  90   6.251   1.039   0.013
  587   2HG2  ILE  90          2HG2      ILE  90   7.515   2.121  -0.553
  588   3HG2  ILE  90          3HG2      ILE  90   6.716   1.063  -1.695
  589   1HD1  ILE  90          1HD1      ILE  90   4.908   0.419  -2.340
  590   2HD1  ILE  90          2HD1      ILE  90   3.220   0.332  -1.897
  591   3HD1  ILE  90          3HD1      ILE  90   4.447   0.141  -0.657
  592    H    THR  91           H        THR  91   5.886   5.460  -1.738
  593    HA   THR  91           HA       THR  91   3.337   6.870  -1.129
  594    HB   THR  91           HB       THR  91   5.242   8.056  -0.013
  595    HG1  THR  91           1HG      THR  91   4.732  10.127  -0.996
  596   1HG2  THR  91          1HG2      THR  91   6.588   7.444  -2.333
  597   2HG2  THR  91          2HG2      THR  91   7.161   8.466  -1.027
  598   3HG2  THR  91          3HG2      THR  91   6.365   9.181  -2.412
  599    H    HIS  92           H        HIS  92   4.668   8.865  -3.242
  600    HA   HIS  92           HA       HIS  92   5.095   7.685  -5.674
  601   1HB   HIS  92          2HB       HIS  92   2.383   7.081  -4.823
  602   2HB   HIS  92          1HB       HIS  92   2.304   8.226  -6.123
  603    HD1  HIS  92           1HD      HIS  92   3.948   4.891  -5.446
  604    HD2  HIS  92           2HD      HIS  92   2.502   7.189  -8.595
  605    HE1  HIS  92           1HE      HIS  92   4.207   3.484  -7.525
  606    HE2  HIS  92           2HE      HIS  92   3.658   5.009  -9.466
  607    H    THR  93           H        THR  93   5.734  10.042  -4.338
  608    HA   THR  93           HA       THR  93   4.100  12.231  -5.341
  609    HB   THR  93           HB       THR  93   6.929  12.396  -4.219
  610    HG1  THR  93           1HG      THR  93   5.813  11.424  -2.618
  611   1HG2  THR  93          1HG2      THR  93   4.619  14.357  -4.380
  612   2HG2  THR  93          2HG2      THR  93   6.137  14.445  -5.277
  613   3HG2  THR  93          3HG2      THR  93   6.137  14.640  -3.529
  614    H    GLY  94           H        GLY  94   4.075  12.201  -7.563
  615   1HA   GLY  94          2HA       GLY  94   4.992  13.087  -9.578
  616   2HA   GLY  94          1HA       GLY  94   6.624  12.923  -8.925
  617    H    ALA  95           H        ALA  95   6.019  10.160  -7.912
  618    HA   ALA  95           HA       ALA  95   6.654   8.103  -8.763
  619   1HB   ALA  95          1HB       ALA  95   4.813   6.994  -9.635
  620   2HB   ALA  95          2HB       ALA  95   4.248   8.409 -10.525
  621   3HB   ALA  95          3HB       ALA  95   4.109   8.366  -8.774
  622    H    SER  96           H        SER  96   5.995   7.045 -11.442
  623    HA   SER  96           HA       SER  96   7.206   6.831 -13.427
  624   1HB   SER  96          2HB       SER  96   6.048   9.536 -13.294
  625   2HB   SER  96          1HB       SER  96   7.452   9.478 -14.355
  626    HG   SER  96           HG       SER  96   6.475   7.984 -15.605
  627    H    GLY  97           H        GLY  97   8.784   6.746 -11.282
  628   1HA   GLY  97          2HA       GLY  97  11.361   6.909 -11.763
  629   2HA   GLY  97          1HA       GLY  97  11.064   8.652 -11.629
  630    H    ASN  98           H        ASN  98   8.826   8.095  -9.718
  631    HA   ASN  98           HA       ASN  98  10.453   7.674  -7.285
  632   1HB   ASN  98          2HB       ASN  98   7.662   8.858  -7.310
  633   2HB   ASN  98          1HB       ASN  98   8.947   9.061  -6.155
  634   1HD2  ASN  98          1HD2      ASN  98  10.934  10.241  -6.912
  635   2HD2  ASN  98          2HD2      ASN  98  10.674  11.519  -8.045
  636    H    ASN  99           H        ASN  99   7.651   6.564  -9.139
  637    HA   ASN  99           HA       ASN  99   6.065   4.938  -8.660
  638   1HB   ASN  99          2HB       ASN  99   7.121   2.735  -8.424
  639   2HB   ASN  99          1HB       ASN  99   8.089   3.737  -9.502
  640   1HD2  ASN  99          1HD2      ASN  99   8.272   1.819  -6.721
  641   2HD2  ASN  99          2HD2      ASN  99   9.746   2.409  -6.121
  642    H    PHE 100           H        PHE 100   6.659   2.842  -6.556
  643    HA   PHE 100           HA       PHE 100   5.435   4.218  -4.329
  644   1HB   PHE 100          2HB       PHE 100   6.658   1.461  -4.121
  645   2HB   PHE 100          1HB       PHE 100   5.289   2.134  -3.340
  646    HD1  PHE 100           1HD      PHE 100   6.470   0.852  -6.551
  647    HD2  PHE 100           2HD      PHE 100   3.094   2.109  -4.225
  648    HE1  PHE 100           1HE      PHE 100   4.950  -0.128  -8.243
  649    HE2  PHE 100           2HE      PHE 100   1.591   1.111  -5.911
  650    HZ   PHE 100           HZ       PHE 100   2.494   0.030  -7.934
  651    H    VAL 101           H        VAL 101   7.208   5.799  -4.131
  652    HA   VAL 101           HA       VAL 101   9.796   4.793  -3.112
  653    HB   VAL 101           HB       VAL 101  10.029   7.472  -2.753
  654   1HG1  VAL 101          1HG1      VAL 101  10.336   5.735  -5.180
  655   2HG1  VAL 101          2HG1      VAL 101  11.542   6.516  -4.188
  656   3HG1  VAL 101          3HG1      VAL 101  10.613   7.470  -5.319
  657   1HG2  VAL 101          1HG2      VAL 101   8.134   7.358  -5.095
  658   2HG2  VAL 101          2HG2      VAL 101   8.742   8.744  -4.233
  659   3HG2  VAL 101          3HG2      VAL 101   7.583   7.702  -3.510
  660    H    GLU 102           H        GLU 102  10.272   4.599  -0.959
  661    HA   GLU 102           HA       GLU 102   8.391   4.503   1.052
  662   1HB   GLU 102          2HB       GLU 102  10.389   5.283   2.620
  663   2HB   GLU 102          1HB       GLU 102  10.440   3.740   1.776
  664   1HG   GLU 102          2HG       GLU 102  12.120   4.338   0.412
  665   2HG   GLU 102          1HG       GLU 102  11.480   5.964   0.131
  666    H    CYS 103           H        CYS 103   7.632   5.973   2.703
  667    HA   CYS 103           HA       CYS 103   7.246   8.681   1.702
  668   1HB   CYS 103          2HB       CYS 103   6.229   7.031   3.978
  669   2HB   CYS 103          1HB       CYS 103   6.298   8.771   4.295
  670    H    THR 104           H        THR 104   9.288   9.667   1.646
  671    HA   THR 104           HA       THR 104  10.334  10.456   4.330
  672    HB   THR 104           HB       THR 104  11.717   8.543   3.558
  673    HG1  THR 104           1HG      THR 104  13.203  10.952   3.222
  674   1HG2  THR 104          1HG2      THR 104  12.417  10.299   1.193
  675   2HG2  THR 104          2HG2      THR 104  11.290   8.945   1.098
  676   3HG2  THR 104          3HG2      THR 104  12.974   8.664   1.513
  Start of MODEL    9
    1   1H    ALA   1          1HT       ALA   1  -1.205  12.205  15.523
    2   2H    ALA   1          2HT       ALA   1   0.478  12.559  15.544
    3   3H    ALA   1          3HT       ALA   1  -0.387  12.433  17.016
    4    HA   ALA   1           HA       ALA   1   0.937  10.485  16.649
    5   1HB   ALA   1          1HB       ALA   1  -2.040  10.030  16.299
    6   2HB   ALA   1          2HB       ALA   1  -1.202  10.279  17.830
    7   3HB   ALA   1          3HB       ALA   1  -0.879   8.831  16.878
    8    H    CYS   2           H        CYS   2   2.093   9.708  14.923
    9    HA   CYS   2           HA       CYS   2   1.121   8.107  12.908
   10   1HB   CYS   2          2HB       CYS   2   1.200   9.833  10.943
   11   2HB   CYS   2          1HB       CYS   2  -0.273   9.767  11.916
   12    H    ASP   3           H        ASP   3   2.989   7.113  12.276
   13    HA   ASP   3           HA       ASP   3   5.477   8.776  12.209
   14   1HB   ASP   3          2HB       ASP   3   5.146   6.540  13.625
   15   2HB   ASP   3          1HB       ASP   3   5.533   5.761  12.086
   16    H    TYR   4           H        TYR   4   3.156   7.786  10.102
   17    HA   TYR   4           HA       TYR   4   5.154   7.375   7.919
   18   1HB   TYR   4          2HB       TYR   4   2.413   6.176   8.408
   19   2HB   TYR   4          1HB       TYR   4   3.071   6.264   6.769
   20    HD1  TYR   4           1HD      TYR   4   2.606   3.968   9.147
   21    HD2  TYR   4           2HD      TYR   4   5.888   5.760   7.026
   22    HE1  TYR   4           1HE      TYR   4   3.980   1.946   9.559
   23    HE2  TYR   4           2HE      TYR   4   7.263   3.749   7.445
   24    HH   TYR   4           HH       TYR   4   6.351   0.965   8.041
   25    H    THR   5           H        THR   5   5.364   9.369   7.025
   26    HA   THR   5           HA       THR   5   2.869  10.572   5.921
   27    HB   THR   5           HB       THR   5   4.921  12.122   7.559
   28    HG1  THR   5           1HG      THR   5   3.338  12.226   9.068
   29   1HG2  THR   5          1HG2      THR   5   2.816  13.768   7.145
   30   2HG2  THR   5          2HG2      THR   5   2.840  12.915   5.609
   31   3HG2  THR   5          3HG2      THR   5   4.272  13.771   6.173
   32    H    CYS   6           H        CYS   6   3.231  10.963   3.790
   33    HA   CYS   6           HA       CYS   6   6.045  11.048   2.815
   34   1HB   CYS   6          2HB       CYS   6   3.383  10.416   1.669
   35   2HB   CYS   6          1HB       CYS   6   4.457  11.292   0.575
   36    H    GLY   7           H        GLY   7   4.205  13.233   4.108
   37   1HA   GLY   7          2HA       GLY   7   5.534  15.475   3.009
   38   2HA   GLY   7          1HA       GLY   7   3.905  15.373   2.332
   39    H    SER   8           H        SER   8   2.211  14.836   4.171
   40    HA   SER   8           HA       SER   8   2.737  15.791   6.842
   41   1HB   SER   8          2HB       SER   8   1.741  17.770   4.806
   42   2HB   SER   8          1HB       SER   8   1.213  17.915   6.485
   43    HG   SER   8           HG       SER   8   3.725  18.321   5.393
   44    H    ASN   9           H        ASN   9   1.230  13.686   5.334
   45    HA   ASN   9           HA       ASN   9  -1.584  14.266   5.777
   46   1HB   ASN   9          2HB       ASN   9   0.033  11.969   4.699
   47   2HB   ASN   9          1HB       ASN   9  -1.532  11.623   5.418
   48   1HD2  ASN   9          1HD2      ASN   9  -0.041  12.758   2.581
   49   2HD2  ASN   9          2HD2      ASN   9  -1.490  13.290   1.804
   50    H    CYS  10           H        CYS  10   1.045  12.864   7.601
   51    HA   CYS  10           HA       CYS  10   1.139  12.065   9.737
   52   1HB   CYS  10          2HB       CYS  10   0.063  14.164  10.372
   53   2HB   CYS  10          1HB       CYS  10  -1.527  13.530   9.942
   54    H    TYR  11           H        TYR  11   0.740   9.942   8.454
   55    HA   TYR  11           HA       TYR  11  -1.947   8.776   8.933
   56   1HB   TYR  11          2HB       TYR  11   0.470   8.000   7.334
   57   2HB   TYR  11          1HB       TYR  11  -0.585   6.705   7.879
   58    HD1  TYR  11           1HD      TYR  11  -2.866   6.515   7.116
   59    HD2  TYR  11           2HD      TYR  11  -0.332   9.717   5.787
   60    HE1  TYR  11           1HE      TYR  11  -4.456   7.047   5.311
   61    HE2  TYR  11           2HE      TYR  11  -1.944  10.215   3.959
   62    HH   TYR  11           HH       TYR  11  -3.913   8.560   2.693
   63    H    SER  12           H        SER  12  -2.384   7.386  10.582
   64    HA   SER  12           HA       SER  12  -0.305   6.977  12.611
   65   1HB   SER  12          2HB       SER  12  -2.471   7.487  13.459
   66   2HB   SER  12          1HB       SER  12  -3.224   6.234  12.471
   67    HG   SER  12           HG       SER  12  -2.776   5.710  14.767
   68    H    SER  13           H        SER  13   0.893   5.147  12.848
   69    HA   SER  13           HA       SER  13   0.956   3.122  10.876
   70   1HB   SER  13          2HB       SER  13   2.127   1.771  12.804
   71   2HB   SER  13          1HB       SER  13   2.873   3.269  12.235
   72    HG   SER  13           HG       SER  13   2.573   3.006  14.600
   73    H    SER  14           H        SER  14  -1.260   3.583  13.497
   74    HA   SER  14           HA       SER  14  -2.078   0.770  13.602
   75   1HB   SER  14          2HB       SER  14  -2.403   3.092  15.258
   76   2HB   SER  14          1HB       SER  14  -4.013   2.513  14.824
   77    HG   SER  14           HG       SER  14  -1.948   1.170  16.185
   78    H    ASP  15           H        ASP  15  -3.141   3.786  12.081
   79    HA   ASP  15           HA       ASP  15  -5.664   2.642  11.197
   80   1HB   ASP  15          2HB       ASP  15  -4.768   5.212  11.432
   81   2HB   ASP  15          1HB       ASP  15  -4.534   4.974   9.699
   82    H    VAL  16           H        VAL  16  -2.422   3.118   9.873
   83    HA   VAL  16           HA       VAL  16  -2.881   2.454   7.186
   84    HB   VAL  16           HB       VAL  16  -0.529   1.491   8.860
   85   1HG1  VAL  16          1HG1      VAL  16  -0.833   2.116   5.900
   86   2HG1  VAL  16          2HG1      VAL  16  -0.669   0.506   6.599
   87   3HG1  VAL  16          3HG1      VAL  16   0.666   1.647   6.702
   88   1HG2  VAL  16          1HG2      VAL  16   0.270   3.787   7.546
   89   2HG2  VAL  16          2HG2      VAL  16  -0.197   3.687   9.226
   90   3HG2  VAL  16          3HG2      VAL  16  -1.375   4.197   8.029
   91    H    SER  17           H        SER  17  -2.608   0.370  10.039
   92    HA   SER  17           HA       SER  17  -2.579  -2.142   8.716
   93   1HB   SER  17          2HB       SER  17  -2.178  -2.459  10.954
   94   2HB   SER  17          1HB       SER  17  -3.243  -1.151  11.441
   95    HG   SER  17           HG       SER  17  -4.904  -2.480  11.500
   96    H    THR  18           H        THR  18  -5.309  -0.111   9.827
   97    HA   THR  18           HA       THR  18  -7.372  -1.940   9.111
   98    HB   THR  18           HB       THR  18  -8.420   0.641   8.583
   99    HG1  THR  18           1HG      THR  18  -7.410   1.991   9.966
  100   1HG2  THR  18          1HG2      THR  18  -9.361   0.442  10.826
  101   2HG2  THR  18          2HG2      THR  18  -8.204  -0.827  11.224
  102   3HG2  THR  18          3HG2      THR  18  -9.434  -1.108   9.988
  103    H    ALA  19           H        ALA  19  -5.821   0.669   7.241
  104    HA   ALA  19           HA       ALA  19  -7.285   0.087   4.806
  105   1HB   ALA  19          1HB       ALA  19  -4.602   1.468   5.150
  106   2HB   ALA  19          2HB       ALA  19  -6.178   2.256   5.272
  107   3HB   ALA  19          3HB       ALA  19  -5.659   1.561   3.738
  108    H    GLN  20           H        GLN  20  -4.671  -1.417   6.447
  109    HA   GLN  20           HA       GLN  20  -3.604  -2.697   4.037
  110   1HB   GLN  20          2HB       GLN  20  -2.591  -2.087   6.660
  111   2HB   GLN  20          1HB       GLN  20  -2.581  -3.829   6.512
  112   1HG   GLN  20          2HG       GLN  20  -0.519  -2.495   5.726
  113   2HG   GLN  20          1HG       GLN  20  -1.117  -3.792   4.717
  114   1HE2  GLN  20          1HE2      GLN  20  -2.551  -0.541   5.036
  115   2HE2  GLN  20          2HE2      GLN  20  -2.420  -0.204   3.360
  116    H    ALA  21           H        ALA  21  -6.096  -3.238   6.266
  117    HA   ALA  21           HA       ALA  21  -6.024  -6.177   5.856
  118   1HB   ALA  21          1HB       ALA  21  -7.953  -6.207   7.377
  119   2HB   ALA  21          2HB       ALA  21  -7.946  -4.441   7.431
  120   3HB   ALA  21          3HB       ALA  21  -6.590  -5.351   8.095
  121    H    ALA  22           H        ALA  22  -7.481  -3.269   4.626
  122    HA   ALA  22           HA       ALA  22  -9.800  -4.570   3.426
  123   1HB   ALA  22          1HB       ALA  22  -9.814  -2.166   3.969
  124   2HB   ALA  22          2HB       ALA  22 -10.068  -2.422   2.247
  125   3HB   ALA  22          3HB       ALA  22  -8.493  -1.886   2.835
  126    H    GLY  23           H        GLY  23  -6.868  -3.018   2.015
  127   1HA   GLY  23          2HA       GLY  23  -7.149  -4.113  -0.583
  128   2HA   GLY  23          1HA       GLY  23  -5.617  -3.654   0.150
  129    H    TYR  24           H        TYR  24  -6.081  -5.529   2.421
  130    HA   TYR  24           HA       TYR  24  -4.760  -7.797   1.248
  131   1HB   TYR  24          2HB       TYR  24  -4.245  -7.126   3.535
  132   2HB   TYR  24          1HB       TYR  24  -5.936  -7.337   4.018
  133    HD1  TYR  24           1HD      TYR  24  -3.849  -9.504   1.799
  134    HD2  TYR  24           2HD      TYR  24  -5.795  -9.085   5.610
  135    HE1  TYR  24           1HE      TYR  24  -3.391 -11.861   2.290
  136    HE2  TYR  24           2HE      TYR  24  -5.311 -11.466   6.110
  137    HH   TYR  24           HH       TYR  24  -4.760 -13.698   4.192
  138    H    GLN  25           H        GLN  25  -7.989  -7.253   2.655
  139    HA   GLN  25           HA       GLN  25  -8.914  -9.934   2.179
  140   1HB   GLN  25          2HB       GLN  25  -9.986  -7.479   3.260
  141   2HB   GLN  25          1HB       GLN  25 -11.123  -8.068   2.054
  142   1HG   GLN  25          2HG       GLN  25 -11.748  -9.825   3.279
  143   2HG   GLN  25          1HG       GLN  25 -10.101 -10.219   3.789
  144   1HE2  GLN  25          1HE2      GLN  25 -12.970  -8.363   4.619
  145   2HE2  GLN  25          2HE2      GLN  25 -12.408  -7.917   6.190
  146    H    LEU  26           H        LEU  26  -9.831  -6.920   0.455
  147    HA   LEU  26           HA       LEU  26 -11.116  -8.053  -1.711
  148   1HB   LEU  26          2HB       LEU  26 -10.127  -5.514  -1.117
  149   2HB   LEU  26          1HB       LEU  26  -9.201  -5.966  -2.538
  150    HG   LEU  26           HG       LEU  26 -11.356  -6.548  -3.710
  151   1HD1  LEU  26          1HD1      LEU  26 -12.764  -6.960  -1.759
  152   2HD1  LEU  26          2HD1      LEU  26 -13.428  -5.616  -2.667
  153   3HD1  LEU  26          3HD1      LEU  26 -12.516  -5.312  -1.190
  154   1HD2  LEU  26          1HD2      LEU  26 -10.592  -3.824  -2.758
  155   2HD2  LEU  26          2HD2      LEU  26 -12.118  -3.978  -3.564
  156   3HD2  LEU  26          3HD2      LEU  26 -10.632  -4.466  -4.382
  157    H    HIS  27           H        HIS  27  -7.647  -7.961  -1.102
  158    HA   HIS  27           HA       HIS  27  -6.804  -8.863  -3.673
  159   1HB   HIS  27          2HB       HIS  27  -5.089  -8.042  -2.234
  160   2HB   HIS  27          1HB       HIS  27  -5.593  -9.074  -0.908
  161    HD1  HIS  27           1HD      HIS  27  -5.167 -10.354  -4.426
  162    HD2  HIS  27           2HD      HIS  27  -3.195 -10.528  -0.752
  163    HE1  HIS  27           1HE      HIS  27  -3.379 -12.117  -4.659
  164    HE2  HIS  27           2HE      HIS  27  -2.449 -12.447  -2.341
  165    H    GLU  28           H        GLU  28  -7.168 -10.747  -0.647
  166    HA   GLU  28           HA       GLU  28  -7.179 -13.242  -2.200
  167   1HB   GLU  28          2HB       GLU  28  -6.486 -12.536   0.436
  168   2HB   GLU  28          1HB       GLU  28  -7.946 -13.510   0.631
  169   1HG   GLU  28          2HG       GLU  28  -5.550 -14.340  -1.041
  170   2HG   GLU  28          1HG       GLU  28  -5.839 -14.844   0.632
  171    H    ASP  29           H        ASP  29  -9.469 -11.024  -2.019
  172    HA   ASP  29           HA       ASP  29 -11.694 -12.854  -1.329
  173   1HB   ASP  29          2HB       ASP  29 -11.298  -9.940  -1.289
  174   2HB   ASP  29          1HB       ASP  29 -12.829 -10.404  -1.976
  175    H    GLY  30           H        GLY  30 -10.103 -11.309  -4.035
  176   1HA   GLY  30          2HA       GLY  30 -10.384 -11.929  -6.294
  177   2HA   GLY  30          1HA       GLY  30 -11.853 -12.810  -5.879
  178    H    GLU  31           H        GLU  31 -12.563 -10.163  -4.292
  179    HA   GLU  31           HA       GLU  31 -14.207  -9.084  -6.385
  180   1HB   GLU  31          2HB       GLU  31 -14.427  -9.106  -3.707
  181   2HB   GLU  31          1HB       GLU  31 -13.688  -7.528  -3.855
  182   1HG   GLU  31          2HG       GLU  31 -15.645  -6.644  -4.449
  183   2HG   GLU  31          1HG       GLU  31 -15.706  -7.675  -5.883
  184    H    THR  32           H        THR  32 -13.774  -6.217  -5.474
  185    HA   THR  32           HA       THR  32 -11.091  -5.493  -6.100
  186    HB   THR  32           HB       THR  32 -12.637  -4.377  -8.322
  187    HG1  THR  32           1HG      THR  32 -13.257  -6.214  -9.318
  188   1HG2  THR  32          1HG2      THR  32 -10.048  -4.970  -7.819
  189   2HG2  THR  32          2HG2      THR  32 -10.728  -4.756  -9.439
  190   3HG2  THR  32          3HG2      THR  32 -10.499  -6.369  -8.785
  191    H    VAL  33           H        VAL  33 -11.293  -2.962  -6.920
  192    HA   VAL  33           HA       VAL  33 -12.877  -1.705  -4.742
  193    HB   VAL  33           HB       VAL  33 -11.603   0.362  -5.442
  194   1HG1  VAL  33          1HG1      VAL  33  -9.465  -0.428  -4.578
  195   2HG1  VAL  33          2HG1      VAL  33  -9.935  -2.101  -4.894
  196   3HG1  VAL  33          3HG1      VAL  33 -10.793  -1.157  -3.676
  197   1HG2  VAL  33          1HG2      VAL  33 -10.148   0.353  -7.221
  198   2HG2  VAL  33          2HG2      VAL  33 -11.284  -0.823  -7.867
  199   3HG2  VAL  33          3HG2      VAL  33  -9.819  -1.361  -7.084
  200    H    GLY  34           H        GLY  34 -12.694   0.742  -6.919
  201   1HA   GLY  34          2HA       GLY  34 -15.249   0.002  -8.287
  202   2HA   GLY  34          1HA       GLY  34 -15.025   1.548  -7.477
  203    H    SER  35           H        SER  35 -12.040   0.968  -8.692
  204    HA   SER  35           HA       SER  35 -12.686   2.390 -11.231
  205   1HB   SER  35          2HB       SER  35 -10.521   2.657  -9.205
  206   2HB   SER  35          1HB       SER  35 -10.011   2.805 -10.890
  207    HG   SER  35           HG       SER  35 -11.327   4.503 -11.181
  208    H    ASN  36           H        ASN  36  -9.568   0.912 -10.541
  209    HA   ASN  36           HA       ASN  36 -10.202  -1.271 -12.478
  210   1HB   ASN  36          2HB       ASN  36  -8.169   0.904 -12.647
  211   2HB   ASN  36          1HB       ASN  36  -7.555  -0.711 -13.003
  212   1HD2  ASN  36          1HD2      ASN  36  -9.700   1.811 -14.131
  213   2HD2  ASN  36          2HD2      ASN  36 -10.048   1.045 -15.639
  214    H    SER  37           H        SER  37 -10.420  -1.980  -9.965
  215    HA   SER  37           HA       SER  37  -9.534  -3.327  -8.306
  216   1HB   SER  37          2HB       SER  37  -8.880  -4.594 -10.517
  217   2HB   SER  37          1HB       SER  37  -7.248  -4.023 -10.166
  218    HG   SER  37           HG       SER  37  -7.518  -6.017  -9.194
  219    H    TYR  38           H        TYR  38  -6.768  -3.938  -7.760
  220    HA   TYR  38           HA       TYR  38  -5.003  -1.847  -7.786
  221   1HB   TYR  38          2HB       TYR  38  -7.276  -1.016  -6.243
  222   2HB   TYR  38          1HB       TYR  38  -5.957  -1.274  -5.124
  223    HD1  TYR  38           1HD      TYR  38  -3.612  -0.420  -5.816
  224    HD2  TYR  38           2HD      TYR  38  -7.310   1.026  -7.453
  225    HE1  TYR  38           1HE      TYR  38  -2.485   1.634  -6.572
  226    HE2  TYR  38           2HE      TYR  38  -6.181   3.101  -8.183
  227    HH   TYR  38           HH       TYR  38  -4.121   4.420  -7.475
  228    HA   PRO  39           HA       PRO  39  -4.039  -4.442  -3.890
  229   1HB   PRO  39          2HB       PRO  39  -5.739  -6.502  -3.317
  230   2HB   PRO  39          1HB       PRO  39  -5.860  -4.888  -2.635
  231   1HG   PRO  39          2HG       PRO  39  -7.548  -6.167  -4.743
  232   2HG   PRO  39          1HG       PRO  39  -7.962  -4.884  -3.596
  233   1HD   PRO  39          2HD       PRO  39  -7.340  -4.554  -6.292
  234   2HD   PRO  39          1HD       PRO  39  -7.442  -3.252  -5.101
  235    H    HIS  40           H        HIS  40  -2.347  -5.221  -5.109
  236    HA   HIS  40           HA       HIS  40  -2.576  -8.056  -5.962
  237   1HB   HIS  40          2HB       HIS  40  -0.869  -6.727  -7.886
  238   2HB   HIS  40          1HB       HIS  40  -2.344  -7.656  -8.170
  239    HD1  HIS  40           1HD      HIS  40  -4.577  -6.372  -8.309
  240    HD2  HIS  40           2HD      HIS  40  -1.233  -3.926  -7.993
  241    HE1  HIS  40           1HE      HIS  40  -5.287  -4.077  -9.032
  242    HE2  HIS  40           2HE      HIS  40  -3.240  -2.632  -9.005
  243    H    LYS  41           H        LYS  41  -0.191  -8.807  -6.548
  244    HA   LYS  41           HA       LYS  41   1.361  -8.237  -4.190
  245   1HB   LYS  41          2HB       LYS  41   2.874  -9.886  -4.936
  246   2HB   LYS  41          1HB       LYS  41   1.298 -10.433  -5.524
  247   1HG   LYS  41          2HG       LYS  41   1.741  -9.521  -7.732
  248   2HG   LYS  41          1HG       LYS  41   3.263  -8.826  -7.185
  249   1HD   LYS  41          2HD       LYS  41   4.155 -10.715  -8.004
  250   2HD   LYS  41          1HD       LYS  41   3.715 -11.367  -6.422
  251   1HE   LYS  41          2HE       LYS  41   2.414 -12.864  -7.446
  252   2HE   LYS  41          1HE       LYS  41   1.371 -11.567  -8.031
  253   1HZ   LYS  41          1HZ       LYS  41   3.809 -12.602  -9.393
  254   2HZ   LYS  41          2HZ       LYS  41   2.847 -11.324  -9.954
  255   3HZ   LYS  41          3HZ       LYS  41   2.207 -12.885  -9.856
  256    H    TYR  42           H        TYR  42   3.574  -7.372  -4.167
  257    HA   TYR  42           HA       TYR  42   4.332  -5.699  -6.499
  258   1HB   TYR  42          2HB       TYR  42   2.970  -4.199  -5.115
  259   2HB   TYR  42          1HB       TYR  42   3.932  -4.593  -3.684
  260    HD1  TYR  42           1HD      TYR  42   5.863  -3.346  -3.194
  261    HD2  TYR  42           2HD      TYR  42   4.238  -3.261  -7.170
  262    HE1  TYR  42           1HE      TYR  42   7.506  -1.598  -3.826
  263    HE2  TYR  42           2HE      TYR  42   5.882  -1.520  -7.804
  264    HH   TYR  42           HH       TYR  42   8.488  -0.884  -6.601
  265    H    ASN  43           H        ASN  43   6.126  -7.134  -6.679
  266    HA   ASN  43           HA       ASN  43   7.822  -7.977  -4.604
  267   1HB   ASN  43          2HB       ASN  43   8.619  -7.231  -7.447
  268   2HB   ASN  43          1HB       ASN  43   9.569  -8.239  -6.344
  269   1HD2  ASN  43          1HD2      ASN  43   8.372 -10.250  -5.541
  270   2HD2  ASN  43          2HD2      ASN  43   7.299 -11.004  -6.664
  271    H    ASN  44           H        ASN  44   9.291  -5.609  -6.814
  272    HA   ASN  44           HA       ASN  44   9.443  -3.327  -5.326
  273   1HB   ASN  44          2HB       ASN  44  11.747  -3.773  -4.115
  274   2HB   ASN  44          1HB       ASN  44  10.266  -4.312  -3.337
  275   1HD2  ASN  44          1HD2      ASN  44  12.045  -5.824  -2.348
  276   2HD2  ASN  44          2HD2      ASN  44  12.294  -7.309  -3.193
  277    H    TYR  45           H        TYR  45  10.667  -1.880  -6.533
  278    HA   TYR  45           HA       TYR  45  12.825  -3.018  -8.294
  279   1HB   TYR  45          2HB       TYR  45  10.557  -1.129  -9.012
  280   2HB   TYR  45          1HB       TYR  45  12.019  -1.262 -10.002
  281    HD1  TYR  45           1HD      TYR  45   8.872  -2.806  -9.097
  282    HD2  TYR  45           2HD      TYR  45  12.667  -3.470 -10.996
  283    HE1  TYR  45           1HE      TYR  45   7.959  -4.823 -10.211
  284    HE2  TYR  45           2HE      TYR  45  11.755  -5.489 -12.114
  285    HH   TYR  45           HH       TYR  45   9.448  -7.181 -11.306
  286    H    GLU  46           H        GLU  46  12.134  -0.906  -5.831
  287    HA   GLU  46           HA       GLU  46  14.076   1.146  -6.733
  288   1HB   GLU  46          2HB       GLU  46  12.411   2.377  -5.838
  289   2HB   GLU  46          1HB       GLU  46  11.720   1.028  -4.941
  290   1HG   GLU  46          2HG       GLU  46  13.029   1.372  -3.079
  291   2HG   GLU  46          1HG       GLU  46  14.307   2.201  -3.972
  292    H    GLY  47           H        GLY  47  13.726  -1.643  -4.705
  293   1HA   GLY  47          2HA       GLY  47  15.710  -2.720  -3.826
  294   2HA   GLY  47          1HA       GLY  47  16.442  -1.138  -3.549
  295    H    PHE  48           H        PHE  48  13.061  -1.644  -2.865
  296    HA   PHE  48           HA       PHE  48  13.315  -0.773  -0.160
  297   1HB   PHE  48          2HB       PHE  48  11.152  -2.081  -1.822
  298   2HB   PHE  48          1HB       PHE  48  10.920  -1.920  -0.111
  299    HD1  PHE  48           1HD      PHE  48  11.754   0.561   0.794
  300    HD2  PHE  48           2HD      PHE  48  10.205  -0.398  -3.100
  301    HE1  PHE  48           1HE      PHE  48  11.050   2.890   0.470
  302    HE2  PHE  48           2HE      PHE  48   9.523   1.962  -3.394
  303    HZ   PHE  48           HZ       PHE  48   9.941   3.563  -1.602
  304    H    ASP  49           H        ASP  49  14.947  -2.159   0.756
  305    HA   ASP  49           HA       ASP  49  14.895  -4.971   0.667
  306   1HB   ASP  49          2HB       ASP  49  16.788  -3.733   1.631
  307   2HB   ASP  49          1HB       ASP  49  15.772  -3.185   2.970
  308    H    PHE  50           H        PHE  50  13.009  -2.719   2.633
  309    HA   PHE  50           HA       PHE  50  11.334  -3.123   4.222
  310   1HB   PHE  50          2HB       PHE  50  10.867  -5.124   2.004
  311   2HB   PHE  50          1HB       PHE  50   9.730  -5.018   3.342
  312    HD1  PHE  50           1HD      PHE  50  11.168  -1.805   2.814
  313    HD2  PHE  50           2HD      PHE  50   8.266  -4.510   1.202
  314    HE1  PHE  50           1HE      PHE  50  10.015   0.055   1.748
  315    HE2  PHE  50           2HE      PHE  50   7.111  -2.636   0.109
  316    HZ   PHE  50           HZ       PHE  50   8.013  -0.347   0.365
  317    H    SER  51           H        SER  51  10.122  -5.320   5.251
  318    HA   SER  51           HA       SER  51  12.206  -7.280   5.994
  319   1HB   SER  51          2HB       SER  51  11.405  -5.009   7.690
  320   2HB   SER  51          1HB       SER  51  11.190  -6.555   8.505
  321    HG   SER  51           HG       SER  51  13.541  -5.413   7.475
  322    H    VAL  52           H        VAL  52   9.606  -7.368   4.587
  323    HA   VAL  52           HA       VAL  52   8.043  -9.002   6.564
  324    HB   VAL  52           HB       VAL  52   7.111  -7.560   4.065
  325   1HG1  VAL  52          1HG1      VAL  52   5.888  -9.688   4.435
  326   2HG1  VAL  52          2HG1      VAL  52   4.876  -8.298   4.779
  327   3HG1  VAL  52          3HG1      VAL  52   5.596  -9.205   6.099
  328   1HG2  VAL  52          1HG2      VAL  52   5.814  -6.226   5.682
  329   2HG2  VAL  52          2HG2      VAL  52   7.548  -6.036   5.908
  330   3HG2  VAL  52          3HG2      VAL  52   6.622  -7.063   7.006
  331    H    SER  53           H        SER  53   7.716  -9.032   3.024
  332    HA   SER  53           HA       SER  53   9.128 -11.600   2.829
  333   1HB   SER  53          2HB       SER  53   6.386 -11.598   3.415
  334   2HB   SER  53          1HB       SER  53   6.434 -11.871   1.680
  335    HG   SER  53           HG       SER  53   7.634 -13.688   1.999
  336    H    SER  54           H        SER  54   9.148 -12.366   0.531
  337    HA   SER  54           HA       SER  54   9.855 -10.244  -1.241
  338   1HB   SER  54          2HB       SER  54   9.000 -12.733  -2.606
  339   2HB   SER  54          1HB       SER  54  10.547 -11.909  -2.581
  340    HG   SER  54           HG       SER  54  11.139 -12.952  -0.777
  341    HA   PRO  55           HA       PRO  55   5.639 -10.979  -3.380
  342   1HB   PRO  55          2HB       PRO  55   3.837 -12.612  -2.122
  343   2HB   PRO  55          1HB       PRO  55   5.047 -13.175  -3.268
  344   1HG   PRO  55          2HG       PRO  55   5.027 -13.447  -0.288
  345   2HG   PRO  55          1HG       PRO  55   5.755 -14.511  -1.505
  346   1HD   PRO  55          2HD       PRO  55   7.100 -12.636   0.057
  347   2HD   PRO  55          1HD       PRO  55   7.741 -13.443  -1.350
  348    H    TYR  56           H        TYR  56   5.720  -8.777  -2.418
  349    HA   TYR  56           HA       TYR  56   4.160  -8.260  -0.002
  350   1HB   TYR  56          2HB       TYR  56   5.138  -6.349  -2.148
  351   2HB   TYR  56          1HB       TYR  56   4.509  -5.868  -0.584
  352    HD1  TYR  56           1HD      TYR  56   5.665  -6.641   1.514
  353    HD2  TYR  56           2HD      TYR  56   7.423  -6.955  -2.373
  354    HE1  TYR  56           1HE      TYR  56   7.918  -6.795   2.540
  355    HE2  TYR  56           2HE      TYR  56   9.673  -7.119  -1.361
  356    HH   TYR  56           HH       TYR  56  10.874  -6.751   0.630
  357    H    TYR  57           H        TYR  57   2.613  -6.060  -0.750
  358    HA   TYR  57           HA       TYR  57   0.954  -6.747  -3.027
  359   1HB   TYR  57          2HB       TYR  57   0.007  -7.021  -0.187
  360   2HB   TYR  57          1HB       TYR  57  -1.136  -6.792  -1.526
  361    HD1  TYR  57           1HD      TYR  57  -1.081  -8.425  -3.453
  362    HD2  TYR  57           2HD      TYR  57   0.885  -9.148   0.262
  363    HE1  TYR  57           1HE      TYR  57  -0.945 -10.827  -4.022
  364    HE2  TYR  57           2HE      TYR  57   1.001 -11.575  -0.261
  365    HH   TYR  57           HH       TYR  57  -0.476 -13.206  -1.887
  366    H    GLU  58           H        GLU  58   0.728  -4.785  -3.967
  367    HA   GLU  58           HA       GLU  58   0.871  -2.332  -2.358
  368   1HB   GLU  58          2HB       GLU  58   0.858  -1.167  -4.466
  369   2HB   GLU  58          1HB       GLU  58   1.907  -2.574  -4.638
  370   1HG   GLU  58          2HG       GLU  58  -0.258  -3.778  -5.509
  371   2HG   GLU  58          1HG       GLU  58  -0.860  -2.128  -5.727
  372    H    TRP  59           H        TRP  59  -0.798  -1.008  -1.819
  373    HA   TRP  59           HA       TRP  59  -3.410  -1.210  -3.090
  374   1HB   TRP  59          2HB       TRP  59  -3.844  -3.026  -1.648
  375   2HB   TRP  59          1HB       TRP  59  -2.892  -2.325  -0.340
  376    HD1  TRP  59           HD       TRP  59  -4.013  -0.651   1.265
  377    HE1  TRP  59           1HE      TRP  59  -6.458   0.027   1.676
  378    HE3  TRP  59           3HE      TRP  59  -6.179  -2.642  -2.917
  379    HZ2  TRP  59           2HZ      TRP  59  -9.007  -0.258   0.389
  380    HZ3  TRP  59           3HZ      TRP  59  -8.606  -2.432  -3.278
  381    HH2  TRP  59           HH       TRP  59 -10.030  -1.237  -1.658
  382    HA   PRO  60           HA       PRO  60  -3.109   3.019  -1.777
  383   1HB   PRO  60          2HB       PRO  60  -5.736   3.745  -2.149
  384   2HB   PRO  60          1HB       PRO  60  -4.555   3.571  -3.432
  385   1HG   PRO  60          2HG       PRO  60  -6.713   1.669  -2.624
  386   2HG   PRO  60          1HG       PRO  60  -6.102   1.994  -4.244
  387   1HD   PRO  60          2HD       PRO  60  -5.451  -0.195  -2.723
  388   2HD   PRO  60          1HD       PRO  60  -4.451   0.407  -3.983
  389    H    ILE  61           H        ILE  61  -3.106   3.912   0.189
  390    HA   ILE  61           HA       ILE  61  -5.021   2.893   2.261
  391    HB   ILE  61           HB       ILE  61  -3.029   2.342   3.243
  392   1HG1  ILE  61          2HG1      ILE  61  -2.171   4.095   4.726
  393   2HG1  ILE  61          1HG1      ILE  61  -2.951   5.355   3.773
  394   1HG2  ILE  61          1HG2      ILE  61  -1.742   4.561   1.624
  395   2HG2  ILE  61          2HG2      ILE  61  -1.650   2.820   1.323
  396   3HG2  ILE  61          3HG2      ILE  61  -0.877   3.510   2.745
  397   1HD1  ILE  61          1HD1      ILE  61  -5.080   3.720   4.343
  398   2HD1  ILE  61          2HD1      ILE  61  -4.588   5.070   5.302
  399   3HD1  ILE  61          3HD1      ILE  61  -4.067   3.476   5.733
  400    H    LEU  62           H        LEU  62  -6.427   4.405   3.086
  401    HA   LEU  62           HA       LEU  62  -5.806   7.293   2.544
  402   1HB   LEU  62          2HB       LEU  62  -8.640   6.430   2.927
  403   2HB   LEU  62          1HB       LEU  62  -7.949   7.661   1.859
  404    HG   LEU  62           HG       LEU  62  -7.915   4.654   1.425
  405   1HD1  LEU  62          1HD1      LEU  62 -10.017   5.896   0.882
  406   2HD1  LEU  62          2HD1      LEU  62  -9.235   5.174  -0.511
  407   3HD1  LEU  62          3HD1      LEU  62  -9.088   6.906  -0.229
  408   1HD2  LEU  62          1HD2      LEU  62  -6.053   6.704   0.487
  409   2HD2  LEU  62          2HD2      LEU  62  -6.962   6.033  -0.840
  410   3HD2  LEU  62          3HD2      LEU  62  -6.061   4.964   0.195
  411    H    SER  63           H        SER  63  -7.006   8.761   4.102
  412    HA   SER  63           HA       SER  63  -7.072   7.516   6.838
  413   1HB   SER  63          2HB       SER  63  -5.146   8.934   6.785
  414   2HB   SER  63          1HB       SER  63  -6.006  10.204   5.917
  415    HG   SER  63           HG       SER  63  -5.758  10.530   8.237
  416    H    SER  64           H        SER  64  -9.209   7.997   4.779
  417    HA   SER  64           HA       SER  64 -11.138   9.232   6.592
  418   1HB   SER  64          2HB       SER  64  -9.973  10.708   4.283
  419   2HB   SER  64          1HB       SER  64 -11.736  10.752   4.387
  420    HG   SER  64           HG       SER  64  -9.832  11.685   6.236
  421    H    GLY  65           H        GLY  65 -10.667   8.429   3.117
  422   1HA   GLY  65          2HA       GLY  65 -13.386   7.436   2.834
  423   2HA   GLY  65          1HA       GLY  65 -12.077   7.240   1.668
  424    H    ASP  66           H        ASP  66 -10.696   6.146   4.427
  425    HA   ASP  66           HA       ASP  66 -10.235   4.065   5.261
  426   1HB   ASP  66          2HB       ASP  66 -12.523   4.066   6.048
  427   2HB   ASP  66          1HB       ASP  66 -13.140   3.586   4.477
  428    H    VAL  67           H        VAL  67 -12.434   2.414   3.079
  429    HA   VAL  67           HA       VAL  67 -10.146   1.105   1.817
  430    HB   VAL  67           HB       VAL  67 -13.115   0.786   1.234
  431   1HG1  VAL  67          1HG1      VAL  67 -10.759  -1.061   0.773
  432   2HG1  VAL  67          2HG1      VAL  67 -11.544  -0.129  -0.493
  433   3HG1  VAL  67          3HG1      VAL  67 -12.424  -1.381   0.353
  434   1HG2  VAL  67          1HG2      VAL  67 -12.796   0.318   3.559
  435   2HG2  VAL  67          2HG2      VAL  67 -11.300  -0.560   3.256
  436   3HG2  VAL  67          3HG2      VAL  67 -12.846  -1.235   2.743
  437    H    TYR  68           H        TYR  68  -9.773   1.185  -0.493
  438    HA   TYR  68           HA       TYR  68 -10.359   3.780  -1.653
  439   1HB   TYR  68          2HB       TYR  68  -8.131   2.643  -1.860
  440   2HB   TYR  68          1HB       TYR  68  -8.871   1.452  -2.948
  441    HD1  TYR  68           1HD      TYR  68  -8.866   5.183  -2.469
  442    HD2  TYR  68           2HD      TYR  68  -8.609   1.899  -5.217
  443    HE1  TYR  68           1HE      TYR  68  -8.603   6.782  -4.335
  444    HE2  TYR  68           2HE      TYR  68  -8.340   3.496  -7.095
  445    HH   TYR  68           HH       TYR  68  -7.563   6.709  -6.717
  446    H    SER  69           H        SER  69 -12.076   4.166  -2.958
  447    HA   SER  69           HA       SER  69 -13.364   1.825  -4.336
  448   1HB   SER  69          2HB       SER  69 -15.496   2.984  -4.082
  449   2HB   SER  69          1HB       SER  69 -14.738   2.838  -2.492
  450    HG   SER  69           HG       SER  69 -15.551   4.974  -2.962
  451    H    GLY  70           H        GLY  70 -11.549   4.602  -4.828
  452   1HA   GLY  70          2HA       GLY  70 -11.043   4.913  -7.276
  453   2HA   GLY  70          1HA       GLY  70 -12.779   5.071  -7.524
  454    H    GLY  71           H        GLY  71 -10.224   6.951  -7.573
  455   1HA   GLY  71          2HA       GLY  71 -11.361   9.417  -7.446
  456   2HA   GLY  71          1HA       GLY  71 -11.121   9.090  -5.729
  457    H    SER  72           H        SER  72  -9.449   9.596  -8.808
  458    HA   SER  72           HA       SER  72  -7.243  10.174  -9.243
  459   1HB   SER  72          2HB       SER  72  -7.714  12.185  -8.094
  460   2HB   SER  72          1HB       SER  72  -7.653  11.402  -6.516
  461    HG   SER  72           HG       SER  72  -5.535  12.067  -8.245
  462    HA   PRO  73           HA       PRO  73  -5.445   6.589  -6.975
  463   1HB   PRO  73          2HB       PRO  73  -4.294   5.511  -9.230
  464   2HB   PRO  73          1HB       PRO  73  -5.958   5.220  -8.741
  465   1HG   PRO  73          2HG       PRO  73  -4.905   6.961 -10.932
  466   2HG   PRO  73          1HG       PRO  73  -6.459   6.118 -10.822
  467   1HD   PRO  73          2HD       PRO  73  -6.012   8.871 -10.335
  468   2HD   PRO  73          1HD       PRO  73  -7.482   7.964  -9.927
  469    H    GLY  74           H        GLY  74  -2.966   5.713  -7.577
  470   1HA   GLY  74          2HA       GLY  74  -0.689   6.231  -7.676
  471   2HA   GLY  74          1HA       GLY  74  -1.110   7.845  -8.245
  472    H    ALA  75           H        ALA  75   0.706   8.358  -6.608
  473    HA   ALA  75           HA       ALA  75   1.231   9.459  -4.636
  474   1HB   ALA  75          1HB       ALA  75  -1.542   9.073  -3.556
  475   2HB   ALA  75          2HB       ALA  75  -1.316  10.110  -4.967
  476   3HB   ALA  75          3HB       ALA  75  -0.468  10.463  -3.469
  477    H    ASP  76           H        ASP  76   0.324   8.982  -2.018
  478    HA   ASP  76           HA       ASP  76   1.844   6.991  -1.009
  479   1HB   ASP  76          2HB       ASP  76  -0.943   7.784  -0.125
  480   2HB   ASP  76          1HB       ASP  76   0.104   6.736   0.844
  481    H    ARG  77           H        ARG  77   1.566   4.780  -0.361
  482    HA   ARG  77           HA       ARG  77  -0.675   3.166  -1.078
  483   1HB   ARG  77          2HB       ARG  77  -0.011   3.632  -3.348
  484   2HB   ARG  77          1HB       ARG  77   1.630   3.158  -3.060
  485   1HG   ARG  77          2HG       ARG  77   1.204   0.959  -3.185
  486   2HG   ARG  77          1HG       ARG  77  -0.336   1.077  -2.330
  487   1HD   ARG  77          2HD       ARG  77   0.201   1.674  -5.247
  488   2HD   ARG  77          1HD       ARG  77  -0.782   0.385  -4.570
  489    HE   ARG  77           HE       ARG  77  -1.689   2.216  -3.393
  490   1HH1  ARG  77          1HH2      ARG  77   0.276   3.607  -5.271
  491   2HH1  ARG  77          2HH2      ARG  77  -0.685   4.803  -6.025
  492   1HH2  ARG  77          1HH1      ARG  77  -3.728   3.441  -5.143
  493   2HH2  ARG  77          2HH1      ARG  77  -2.924   4.723  -5.947
  494    H    VAL  78           H        VAL  78   0.321   2.820   1.195
  495    HA   VAL  78           HA       VAL  78   2.760   1.577   1.633
  496    HB   VAL  78           HB       VAL  78   0.906   2.355   3.332
  497   1HG1  VAL  78          1HG1      VAL  78  -0.527   0.717   4.137
  498   2HG1  VAL  78          2HG1      VAL  78   0.369  -0.586   3.371
  499   3HG1  VAL  78          3HG1      VAL  78  -0.652   0.479   2.393
  500   1HG2  VAL  78          1HG2      VAL  78   1.918   0.925   5.070
  501   2HG2  VAL  78          2HG2      VAL  78   3.117   1.593   4.017
  502   3HG2  VAL  78          3HG2      VAL  78   2.646  -0.070   3.835
  503    H    VAL  79           H        VAL  79   3.122  -0.807   2.219
  504    HA   VAL  79           HA       VAL  79   1.513  -2.573   0.427
  505    HB   VAL  79           HB       VAL  79   4.253  -3.496   0.776
  506   1HG1  VAL  79          1HG1      VAL  79   2.900  -4.394  -0.901
  507   2HG1  VAL  79          2HG1      VAL  79   4.120  -3.490  -1.734
  508   3HG1  VAL  79          3HG1      VAL  79   2.502  -2.837  -1.560
  509   1HG2  VAL  79          1HG2      VAL  79   5.261  -1.763  -0.731
  510   2HG2  VAL  79          2HG2      VAL  79   4.923  -1.202   0.891
  511   3HG2  VAL  79          3HG2      VAL  79   3.840  -0.781  -0.410
  512    H    PHE  80           H        PHE  80   2.125  -4.936   0.970
  513    HA   PHE  80           HA       PHE  80   2.717  -5.462   3.764
  514   1HB   PHE  80          2HB       PHE  80   0.392  -6.366   4.225
  515   2HB   PHE  80          1HB       PHE  80   0.478  -4.621   4.028
  516    HD1  PHE  80           1HD      PHE  80  -1.035  -7.633   2.842
  517    HD2  PHE  80           2HD      PHE  80  -0.041  -3.619   1.709
  518    HE1  PHE  80           1HE      PHE  80  -2.691  -7.727   1.001
  519    HE2  PHE  80           2HE      PHE  80  -1.669  -3.719  -0.118
  520    HZ   PHE  80           HZ       PHE  80  -3.020  -5.763  -0.479
  521    H    ASN  81           H        ASN  81   1.685  -7.980   4.064
  522    HA   ASN  81           HA       ASN  81   2.494  -9.402   1.551
  523   1HB   ASN  81          2HB       ASN  81   4.357  -9.539   3.023
  524   2HB   ASN  81          1HB       ASN  81   3.350  -9.995   4.403
  525   1HD2  ASN  81          1HD2      ASN  81   3.750 -12.179   4.784
  526   2HD2  ASN  81          2HD2      ASN  81   3.837 -13.379   3.546
  527    H    GLU  82           H        GLU  82   1.517 -10.679   4.716
  528    HA   GLU  82           HA       GLU  82  -1.129 -11.447   3.622
  529   1HB   GLU  82          2HB       GLU  82   0.980 -13.423   4.561
  530   2HB   GLU  82          1HB       GLU  82  -0.707 -13.857   4.274
  531   1HG   GLU  82          2HG       GLU  82   1.066 -12.619   2.130
  532   2HG   GLU  82          1HG       GLU  82   0.885 -14.334   2.381
  533    H    ASN  83           H        ASN  83   0.418 -10.022   6.053
  534    HA   ASN  83           HA       ASN  83  -1.657 -10.845   7.973
  535   1HB   ASN  83          2HB       ASN  83   0.661 -12.148   8.247
  536   2HB   ASN  83          1HB       ASN  83   1.177 -10.649   9.009
  537   1HD2  ASN  83          1HD2      ASN  83  -1.940 -12.453   9.096
  538   2HD2  ASN  83          2HD2      ASN  83  -1.981 -12.500  10.817
  539    H    ASN  84           H        ASN  84  -0.581  -8.404   6.332
  540    HA   ASN  84           HA       ASN  84  -0.655  -6.133   6.648
  541   1HB   ASN  84          2HB       ASN  84  -2.283  -5.486   8.071
  542   2HB   ASN  84          1HB       ASN  84  -2.439  -7.160   8.577
  543   1HD2  ASN  84          1HD2      ASN  84  -2.366  -4.301   9.942
  544   2HD2  ASN  84          2HD2      ASN  84  -1.424  -4.608  11.354
  545    H    GLN  85           H        GLN  85   1.587  -8.049   7.740
  546    HA   GLN  85           HA       GLN  85   2.952  -6.945   9.895
  547   1HB   GLN  85          2HB       GLN  85   4.539  -7.577   7.406
  548   2HB   GLN  85          1HB       GLN  85   4.886  -7.981   9.094
  549   1HG   GLN  85          2HG       GLN  85   2.571  -9.365   8.714
  550   2HG   GLN  85          1HG       GLN  85   3.257  -9.416   7.081
  551   1HE2  GLN  85          1HE2      GLN  85   4.821 -11.006   6.774
  552   2HE2  GLN  85          2HE2      GLN  85   5.623 -11.828   8.062
  553    H    LEU  86           H        LEU  86   2.558  -5.725   6.623
  554    HA   LEU  86           HA       LEU  86   2.669  -3.537   5.929
  555   1HB   LEU  86          2HB       LEU  86   2.674  -3.041   8.576
  556   2HB   LEU  86          1HB       LEU  86   4.368  -2.640   8.262
  557    HG   LEU  86           HG       LEU  86   3.128  -0.614   8.005
  558   1HD1  LEU  86          1HD1      LEU  86   4.835  -1.308   6.198
  559   2HD1  LEU  86          2HD1      LEU  86   3.746  -0.004   5.844
  560   3HD1  LEU  86          3HD1      LEU  86   3.430  -1.595   5.159
  561   1HD2  LEU  86          1HD2      LEU  86   0.894  -1.670   7.755
  562   2HD2  LEU  86          2HD2      LEU  86   1.319  -2.144   6.113
  563   3HD2  LEU  86          3HD2      LEU  86   1.199  -0.459   6.528
  564    H    ALA  87           H        ALA  87   4.004  -3.776   4.205
  565    HA   ALA  87           HA       ALA  87   6.817  -4.501   4.495
  566   1HB   ALA  87          1HB       ALA  87   6.761  -4.804   2.289
  567   2HB   ALA  87          2HB       ALA  87   5.869  -3.364   1.924
  568   3HB   ALA  87          3HB       ALA  87   5.039  -4.813   2.473
  569    H    GLY  88           H        GLY  88   4.966  -1.542   3.928
  570   1HA   GLY  88          2HA       GLY  88   6.514   0.334   5.078
  571   2HA   GLY  88          1HA       GLY  88   7.443   0.046   3.606
  572    H    VAL  89           H        VAL  89   6.284   2.539   4.162
  573    HA   VAL  89           HA       VAL  89   3.781   2.721   2.620
  574    HB   VAL  89           HB       VAL  89   5.444   5.027   3.619
  575   1HG1  VAL  89          1HG1      VAL  89   2.489   4.610   3.061
  576   2HG1  VAL  89          2HG1      VAL  89   3.597   5.568   2.090
  577   3HG1  VAL  89          3HG1      VAL  89   3.183   6.082   3.730
  578   1HG2  VAL  89          1HG2      VAL  89   5.109   3.533   5.506
  579   2HG2  VAL  89          2HG2      VAL  89   3.404   3.354   5.121
  580   3HG2  VAL  89          3HG2      VAL  89   4.030   4.900   5.618
  581    H    ILE  90           H        ILE  90   4.069   2.454   0.432
  582    HA   ILE  90           HA       ILE  90   6.341   3.922  -0.858
  583    HB   ILE  90           HB       ILE  90   5.938   2.401  -2.780
  584   1HG1  ILE  90          2HG1      ILE  90   4.011   1.077  -0.857
  585   2HG1  ILE  90          1HG1      ILE  90   3.586   1.873  -2.382
  586   1HG2  ILE  90          1HG2      ILE  90   6.322   0.787  -0.263
  587   2HG2  ILE  90          2HG2      ILE  90   7.534   1.947  -0.809
  588   3HG2  ILE  90          3HG2      ILE  90   7.110   0.583  -1.828
  589   1HD1  ILE  90          1HD1      ILE  90   4.728   0.247  -3.646
  590   2HD1  ILE  90          2HD1      ILE  90   3.701  -0.610  -2.511
  591   3HD1  ILE  90          3HD1      ILE  90   5.429  -0.512  -2.233
  592    H    THR  91           H        THR  91   5.815   5.514  -2.368
  593    HA   THR  91           HA       THR  91   2.887   5.921  -2.828
  594    HB   THR  91           HB       THR  91   4.183   7.571  -1.307
  595    HG1  THR  91           1HG      THR  91   2.854   9.166  -2.041
  596   1HG2  THR  91          1HG2      THR  91   5.082   8.717  -3.944
  597   2HG2  THR  91          2HG2      THR  91   6.094   7.627  -3.026
  598   3HG2  THR  91          3HG2      THR  91   5.595   9.151  -2.318
  599    H    HIS  92           H        HIS  92   2.585   7.480  -4.785
  600    HA   HIS  92           HA       HIS  92   4.332   6.567  -6.986
  601   1HB   HIS  92          2HB       HIS  92   1.498   6.335  -6.672
  602   2HB   HIS  92          1HB       HIS  92   1.764   7.522  -7.952
  603    HD1  HIS  92           1HD      HIS  92   3.873   4.458  -7.198
  604    HD2  HIS  92           2HD      HIS  92   1.387   5.989 -10.178
  605    HE1  HIS  92           1HE      HIS  92   4.082   2.924  -9.193
  606    HE2  HIS  92           2HE      HIS  92   2.329   3.650 -10.838
  607    H    THR  93           H        THR  93   5.561   8.516  -6.105
  608    HA   THR  93           HA       THR  93   5.438  10.673  -7.904
  609    HB   THR  93           HB       THR  93   3.227  11.152  -6.678
  610    HG1  THR  93           1HG      THR  93   4.107  12.877  -7.679
  611   1HG2  THR  93          1HG2      THR  93   4.268  10.424  -4.438
  612   2HG2  THR  93          2HG2      THR  93   3.253  11.850  -4.450
  613   3HG2  THR  93          3HG2      THR  93   5.000  12.027  -4.413
  614    H    GLY  94           H        GLY  94   7.004  12.406  -7.275
  615   1HA   GLY  94          2HA       GLY  94   8.658  13.298  -5.771
  616   2HA   GLY  94          1HA       GLY  94   8.577  11.839  -4.794
  617    H    ALA  95           H        ALA  95   8.691  10.272  -7.502
  618    HA   ALA  95           HA       ALA  95  11.630  10.639  -7.960
  619   1HB   ALA  95          1HB       ALA  95  11.556   8.647  -6.769
  620   2HB   ALA  95          2HB       ALA  95  11.466   8.045  -8.414
  621   3HB   ALA  95          3HB       ALA  95  10.005   8.182  -7.436
  622    H    SER  96           H        SER  96  12.036   9.009 -10.061
  623    HA   SER  96           HA       SER  96  11.271  10.366 -12.311
  624   1HB   SER  96          2HB       SER  96  11.719   7.397 -11.912
  625   2HB   SER  96          1HB       SER  96  11.430   8.079 -13.520
  626    HG   SER  96           HG       SER  96  13.290   9.218 -13.392
  627    H    GLY  97           H        GLY  97   9.208  11.011 -12.839
  628   1HA   GLY  97          2HA       GLY  97   6.922  10.857 -13.323
  629   2HA   GLY  97          1HA       GLY  97   7.150   9.113 -13.493
  630    H    ASN  98           H        ASN  98   6.392   7.803 -11.848
  631    HA   ASN  98           HA       ASN  98   5.750   9.102  -9.226
  632   1HB   ASN  98          2HB       ASN  98   3.810   7.103  -9.638
  633   2HB   ASN  98          1HB       ASN  98   3.547   8.815  -9.605
  634   1HD2  ASN  98          1HD2      ASN  98   3.970   9.965 -11.750
  635   2HD2  ASN  98          2HD2      ASN  98   3.479   9.104 -13.164
  636    H    ASN  99           H        ASN  99   8.042   7.513 -10.004
  637    HA   ASN  99           HA       ASN  99   7.937   4.807  -9.460
  638   1HB   ASN  99          2HB       ASN  99  10.005   6.431  -9.850
  639   2HB   ASN  99          1HB       ASN  99  10.056   6.437  -8.094
  640   1HD2  ASN  99          1HD2      ASN  99   9.666   3.979 -10.664
  641   2HD2  ASN  99          2HD2      ASN  99  10.727   2.854  -9.894
  642    H    PHE 100           H        PHE 100   8.712   3.761  -7.278
  643    HA   PHE 100           HA       PHE 100   6.870   4.733  -5.193
  644   1HB   PHE 100          2HB       PHE 100   8.511   2.203  -5.129
  645   2HB   PHE 100          1HB       PHE 100   7.067   2.585  -4.196
  646    HD1  PHE 100           1HD      PHE 100   4.883   2.232  -5.097
  647    HD2  PHE 100           2HD      PHE 100   8.355   1.872  -7.606
  648    HE1  PHE 100           1HE      PHE 100   3.487   1.246  -6.895
  649    HE2  PHE 100           2HE      PHE 100   6.956   0.899  -9.404
  650    HZ   PHE 100           HZ       PHE 100   4.523   0.579  -9.046
  651    H    VAL 101           H        VAL 101   7.574   5.202  -3.078
  652    HA   VAL 101           HA       VAL 101  10.442   5.140  -2.439
  653    HB   VAL 101           HB       VAL 101   9.988   7.773  -1.804
  654   1HG1  VAL 101          1HG1      VAL 101  10.996   6.808  -4.496
  655   2HG1  VAL 101          2HG1      VAL 101  11.935   6.726  -3.006
  656   3HG1  VAL 101          3HG1      VAL 101  11.434   8.287  -3.650
  657   1HG2  VAL 101          1HG2      VAL 101   8.686   7.384  -4.522
  658   2HG2  VAL 101          2HG2      VAL 101   8.848   8.862  -3.583
  659   3HG2  VAL 101          3HG2      VAL 101   7.790   7.592  -3.026
  660    H    GLU 102           H        GLU 102  10.773   5.366  -0.196
  661    HA   GLU 102           HA       GLU 102   8.404   4.804   1.432
  662   1HB   GLU 102          2HB       GLU 102  10.151   4.771   3.316
  663   2HB   GLU 102          1HB       GLU 102  10.258   3.527   2.081
  664   1HG   GLU 102          2HG       GLU 102  12.188   4.358   1.166
  665   2HG   GLU 102          1HG       GLU 102  11.771   6.037   1.505
  666    H    CYS 103           H        CYS 103   7.218   6.372   2.391
  667    HA   CYS 103           HA       CYS 103   7.608   9.108   2.241
  668   1HB   CYS 103          2HB       CYS 103   6.419   7.538   4.567
  669   2HB   CYS 103          1HB       CYS 103   6.189   9.249   4.298
  670    H    THR 104           H        THR 104   9.217  10.420   2.915
  671    HA   THR 104           HA       THR 104  10.345  10.102   5.611
  672    HB   THR 104           HB       THR 104  12.737  10.015   4.625
  673    HG1  THR 104           1HG      THR 104  12.920   9.434   2.522
  674   1HG2  THR 104          1HG2      THR 104  11.202   7.514   3.992
  675   2HG2  THR 104          2HG2      THR 104  11.349   8.067   5.659
  676   3HG2  THR 104          3HG2      THR 104  12.783   7.701   4.715
  Start of MODEL   10
    1   1H    ALA   1          1HT       ALA   1  -0.876  11.259  15.894
    2   2H    ALA   1          2HT       ALA   1  -0.130  12.623  15.157
    3   3H    ALA   1          3HT       ALA   1  -0.015  12.396  16.851
    4    HA   ALA   1           HA       ALA   1   2.039  11.817  15.777
    5   1HB   ALA   1          1HB       ALA   1   0.481   9.431  16.817
    6   2HB   ALA   1          2HB       ALA   1   1.355  10.603  17.802
    7   3HB   ALA   1          3HB       ALA   1   2.241   9.541  16.710
    8    H    CYS   2           H        CYS   2   3.131  10.155  14.398
    9    HA   CYS   2           HA       CYS   2   1.799   8.375  12.726
   10   1HB   CYS   2          2HB       CYS   2   2.038   9.946  10.544
   11   2HB   CYS   2          1HB       CYS   2   0.565   9.882  11.507
   12    H    ASP   3           H        ASP   3   3.413   7.081  11.978
   13    HA   ASP   3           HA       ASP   3   6.166   8.165  11.922
   14   1HB   ASP   3          2HB       ASP   3   5.461   5.854  12.864
   15   2HB   ASP   3          1HB       ASP   3   5.341   5.334  11.179
   16    H    TYR   4           H        TYR   4   3.703   6.903   9.691
   17    HA   TYR   4           HA       TYR   4   5.507   7.116   7.384
   18   1HB   TYR   4          2HB       TYR   4   2.529   6.540   7.658
   19   2HB   TYR   4          1HB       TYR   4   3.375   6.567   6.104
   20    HD1  TYR   4           1HD      TYR   4   2.212   4.384   8.487
   21    HD2  TYR   4           2HD      TYR   4   5.797   5.273   6.295
   22    HE1  TYR   4           1HE      TYR   4   2.995   2.054   8.816
   23    HE2  TYR   4           2HE      TYR   4   6.583   2.947   6.628
   24    HH   TYR   4           HH       TYR   4   5.247   0.582   7.106
   25    H    THR   5           H        THR   5   5.982   9.073   6.544
   26    HA   THR   5           HA       THR   5   3.785  11.008   6.085
   27    HB   THR   5           HB       THR   5   5.495  12.817   7.047
   28    HG1  THR   5           1HG      THR   5   7.188  11.546   7.630
   29   1HG2  THR   5          1HG2      THR   5   4.409  12.654   9.224
   30   2HG2  THR   5          2HG2      THR   5   3.841  11.038   8.857
   31   3HG2  THR   5          3HG2      THR   5   3.255  12.413   7.934
   32    H    CYS   6           H        CYS   6   4.022  11.709   4.028
   33    HA   CYS   6           HA       CYS   6   6.787  11.694   2.850
   34   1HB   CYS   6          2HB       CYS   6   4.135  10.829   1.866
   35   2HB   CYS   6          1HB       CYS   6   5.016  11.844   0.720
   36    H    GLY   7           H        GLY   7   4.886  13.721   4.290
   37   1HA   GLY   7          2HA       GLY   7   6.005  16.078   3.289
   38   2HA   GLY   7          1HA       GLY   7   4.481  15.869   2.421
   39    H    SER   8           H        SER   8   2.526  16.154   3.551
   40    HA   SER   8           HA       SER   8   2.798  17.000   6.425
   41   1HB   SER   8          2HB       SER   8   1.312  18.249   4.120
   42   2HB   SER   8          1HB       SER   8   0.698  18.452   5.762
   43    HG   SER   8           HG       SER   8   3.137  19.330   4.669
   44    H    ASN   9           H        ASN   9   2.036  14.370   5.065
   45    HA   ASN   9           HA       ASN   9  -0.814  14.152   5.890
   46   1HB   ASN   9          2HB       ASN   9   0.905  11.999   4.603
   47   2HB   ASN   9          1HB       ASN   9  -0.844  12.127   4.708
   48   1HD2  ASN   9          1HD2      ASN   9   1.960  13.728   3.233
   49   2HD2  ASN   9          2HD2      ASN   9   1.044  14.403   1.942
   50    H    CYS  10           H        CYS  10  -0.946  13.852   8.079
   51    HA   CYS  10           HA       CYS  10   1.101  12.389   9.523
   52   1HB   CYS  10          2HB       CYS  10  -0.190  14.284  10.543
   53   2HB   CYS  10          1HB       CYS  10  -1.653  13.288  10.483
   54    H    TYR  11           H        TYR  11   0.903  10.360   8.258
   55    HA   TYR  11           HA       TYR  11  -1.577   8.791   8.828
   56   1HB   TYR  11          2HB       TYR  11   0.666   8.593   6.825
   57   2HB   TYR  11          1HB       TYR  11  -0.204   7.116   7.266
   58    HD1  TYR  11           1HD      TYR  11  -2.646   6.935   6.940
   59    HD2  TYR  11           2HD      TYR  11  -0.397  10.288   5.522
   60    HE1  TYR  11           1HE      TYR  11  -4.509   7.570   5.462
   61    HE2  TYR  11           2HE      TYR  11  -2.286  10.930   4.024
   62    HH   TYR  11           HH       TYR  11  -4.805  10.568   3.934
   63    H    SER  12           H        SER  12  -1.472   7.771  10.769
   64    HA   SER  12           HA       SER  12   1.129   6.953  11.866
   65   1HB   SER  12          2HB       SER  12  -0.833   5.891  13.538
   66   2HB   SER  12          1HB       SER  12  -0.051   7.465  13.717
   67    HG   SER  12           HG       SER  12  -2.356   7.602  13.642
   68    H    SER  13           H        SER  13   2.001   4.975  11.670
   69    HA   SER  13           HA       SER  13   1.204   3.013   9.917
   70   1HB   SER  13          2HB       SER  13   2.834   1.707  10.867
   71   2HB   SER  13          1HB       SER  13   3.213   3.173  11.772
   72    HG   SER  13           HG       SER  13   2.900   1.316  13.120
   73    H    SER  14           H        SER  14  -0.181   3.674  13.085
   74    HA   SER  14           HA       SER  14  -1.628   1.209  13.335
   75   1HB   SER  14          2HB       SER  14  -1.127   2.999  15.138
   76   2HB   SER  14          1HB       SER  14  -2.538   3.854  14.506
   77    HG   SER  14           HG       SER  14  -2.947   2.317  16.259
   78    H    ASP  15           H        ASP  15  -2.621   4.469  12.207
   79    HA   ASP  15           HA       ASP  15  -5.265   3.591  11.438
   80   1HB   ASP  15          2HB       ASP  15  -3.623   6.047  11.169
   81   2HB   ASP  15          1HB       ASP  15  -4.692   5.776   9.792
   82    H    VAL  16           H        VAL  16  -2.110   3.367  10.018
   83    HA   VAL  16           HA       VAL  16  -3.063   2.914   7.317
   84    HB   VAL  16           HB       VAL  16  -0.379   2.134   8.503
   85   1HG1  VAL  16          1HG1      VAL  16   0.359   2.432   6.150
   86   2HG1  VAL  16          2HG1      VAL  16  -1.305   2.778   5.677
   87   3HG1  VAL  16          3HG1      VAL  16  -0.872   1.180   6.285
   88   1HG2  VAL  16          1HG2      VAL  16  -0.035   4.322   8.811
   89   2HG2  VAL  16          2HG2      VAL  16  -1.537   4.787   8.034
   90   3HG2  VAL  16          3HG2      VAL  16  -0.087   4.524   7.078
   91    H    SER  17           H        SER  17  -2.392   0.979  10.170
   92    HA   SER  17           HA       SER  17  -2.226  -1.576   8.954
   93   1HB   SER  17          2HB       SER  17  -1.664  -1.178  11.317
   94   2HB   SER  17          1HB       SER  17  -3.364  -0.845  11.670
   95    HG   SER  17           HG       SER  17  -2.685  -3.050  12.095
   96    H    THR  18           H        THR  18  -5.054   0.221  10.217
   97    HA   THR  18           HA       THR  18  -7.007  -1.764   9.642
   98    HB   THR  18           HB       THR  18  -8.412   0.553   9.198
   99    HG1  THR  18           1HG      THR  18  -7.371   2.252  10.092
  100   1HG2  THR  18          1HG2      THR  18  -8.778  -1.041  11.037
  101   2HG2  THR  18          2HG2      THR  18  -8.795   0.627  11.607
  102   3HG2  THR  18          3HG2      THR  18  -7.376  -0.382  11.887
  103    H    ALA  19           H        ALA  19  -5.953   1.006   7.660
  104    HA   ALA  19           HA       ALA  19  -7.441   0.198   5.326
  105   1HB   ALA  19          1HB       ALA  19  -5.921   1.795   4.140
  106   2HB   ALA  19          2HB       ALA  19  -4.981   1.914   5.630
  107   3HB   ALA  19          3HB       ALA  19  -6.643   2.490   5.597
  108    H    GLN  20           H        GLN  20  -4.557  -0.971   6.795
  109    HA   GLN  20           HA       GLN  20  -3.323  -1.977   4.413
  110   1HB   GLN  20          2HB       GLN  20  -2.460  -1.649   6.996
  111   2HB   GLN  20          1HB       GLN  20  -2.733  -3.379   6.997
  112   1HG   GLN  20          2HG       GLN  20  -0.862  -1.753   5.280
  113   2HG   GLN  20          1HG       GLN  20  -0.539  -3.172   6.291
  114   1HE2  GLN  20          1HE2      GLN  20  -1.892  -5.177   5.587
  115   2HE2  GLN  20          2HE2      GLN  20  -2.083  -5.419   3.914
  116    H    ALA  21           H        ALA  21  -5.545  -3.244   6.865
  117    HA   ALA  21           HA       ALA  21  -5.577  -5.940   5.736
  118   1HB   ALA  21          1HB       ALA  21  -7.467  -6.287   7.291
  119   2HB   ALA  21          2HB       ALA  21  -7.480  -4.558   7.657
  120   3HB   ALA  21          3HB       ALA  21  -6.090  -5.545   8.106
  121    H    ALA  22           H        ALA  22  -6.831  -2.967   4.731
  122    HA   ALA  22           HA       ALA  22  -9.372  -3.896   3.692
  123   1HB   ALA  22          1HB       ALA  22  -9.512  -1.704   2.689
  124   2HB   ALA  22          2HB       ALA  22  -7.799  -1.402   2.962
  125   3HB   ALA  22          3HB       ALA  22  -8.900  -1.523   4.329
  126    H    GLY  23           H        GLY  23  -6.386  -2.703   2.055
  127   1HA   GLY  23          2HA       GLY  23  -7.070  -3.703  -0.519
  128   2HA   GLY  23          1HA       GLY  23  -5.429  -3.404   0.042
  129    H    TYR  24           H        TYR  24  -5.814  -5.288   2.333
  130    HA   TYR  24           HA       TYR  24  -4.848  -7.636   0.974
  131   1HB   TYR  24          2HB       TYR  24  -3.966  -7.212   3.168
  132   2HB   TYR  24          1HB       TYR  24  -5.591  -7.042   3.851
  133    HD1  TYR  24           1HD      TYR  24  -5.401  -8.756   5.535
  134    HD2  TYR  24           2HD      TYR  24  -4.598  -9.655   1.404
  135    HE1  TYR  24           1HE      TYR  24  -5.442 -11.183   6.043
  136    HE2  TYR  24           2HE      TYR  24  -4.668 -12.056   1.907
  137    HH   TYR  24           HH       TYR  24  -4.190 -13.422   4.531
  138    H    GLN  25           H        GLN  25  -7.871  -6.828   2.674
  139    HA   GLN  25           HA       GLN  25  -9.109  -9.355   2.468
  140   1HB   GLN  25          2HB       GLN  25  -9.884  -6.820   3.337
  141   2HB   GLN  25          1HB       GLN  25 -10.970  -7.095   1.980
  142   1HG   GLN  25          2HG       GLN  25 -11.448  -9.386   3.002
  143   2HG   GLN  25          1HG       GLN  25 -10.606  -8.788   4.443
  144   1HE2  GLN  25          1HE2      GLN  25 -13.141  -7.628   2.162
  145   2HE2  GLN  25          2HE2      GLN  25 -14.121  -6.951   3.412
  146    H    LEU  26           H        LEU  26  -9.901  -6.596   0.311
  147    HA   LEU  26           HA       LEU  26 -11.224  -7.978  -1.644
  148   1HB   LEU  26          2HB       LEU  26  -9.946  -5.429  -1.436
  149   2HB   LEU  26          1HB       LEU  26  -9.350  -6.130  -2.938
  150    HG   LEU  26           HG       LEU  26 -11.403  -4.853  -3.355
  151   1HD1  LEU  26          1HD1      LEU  26 -11.811  -7.859  -3.553
  152   2HD1  LEU  26          2HD1      LEU  26 -10.950  -6.852  -4.689
  153   3HD1  LEU  26          3HD1      LEU  26 -12.677  -6.639  -4.441
  154   1HD2  LEU  26          1HD2      LEU  26 -12.303  -5.274  -0.993
  155   2HD2  LEU  26          2HD2      LEU  26 -12.855  -6.842  -1.583
  156   3HD2  LEU  26          3HD2      LEU  26 -13.464  -5.363  -2.310
  157    H    HIS  27           H        HIS  27  -7.693  -7.678  -1.398
  158    HA   HIS  27           HA       HIS  27  -6.976  -9.002  -3.760
  159   1HB   HIS  27          2HB       HIS  27  -5.249  -8.030  -2.399
  160   2HB   HIS  27          1HB       HIS  27  -5.663  -9.060  -1.030
  161    HD1  HIS  27           1HD      HIS  27  -5.401 -10.381  -4.549
  162    HD2  HIS  27           2HD      HIS  27  -3.230 -10.458  -0.986
  163    HE1  HIS  27           1HE      HIS  27  -3.573 -12.093  -4.864
  164    HE2  HIS  27           2HE      HIS  27  -2.483 -12.357  -2.602
  165    H    GLU  28           H        GLU  28  -7.459 -10.545  -0.554
  166    HA   GLU  28           HA       GLU  28  -7.350 -13.207  -1.789
  167   1HB   GLU  28          2HB       GLU  28  -7.076 -12.136   0.838
  168   2HB   GLU  28          1HB       GLU  28  -8.460 -13.218   0.912
  169   1HG   GLU  28          2HG       GLU  28  -5.991 -14.166  -0.539
  170   2HG   GLU  28          1HG       GLU  28  -5.964 -14.080   1.224
  171    H    ASP  29           H        ASP  29  -9.738 -10.884  -1.679
  172    HA   ASP  29           HA       ASP  29 -11.965 -12.730  -1.249
  173   1HB   ASP  29          2HB       ASP  29 -11.838 -10.167  -0.653
  174   2HB   ASP  29          1HB       ASP  29 -12.273  -9.926  -2.348
  175    H    GLY  30           H        GLY  30  -9.879 -12.483  -3.726
  176   1HA   GLY  30          2HA       GLY  30  -9.996 -12.830  -6.019
  177   2HA   GLY  30          1HA       GLY  30 -11.396 -13.827  -5.618
  178    H    GLU  31           H        GLU  31 -11.342 -10.390  -4.873
  179    HA   GLU  31           HA       GLU  31 -13.245  -9.924  -7.128
  180   1HB   GLU  31          2HB       GLU  31 -14.072 -10.064  -4.579
  181   2HB   GLU  31          1HB       GLU  31 -13.542  -8.416  -4.550
  182   1HG   GLU  31          2HG       GLU  31 -15.449  -7.793  -5.491
  183   2HG   GLU  31          1HG       GLU  31 -14.949  -8.613  -6.975
  184    H    THR  32           H        THR  32 -13.529  -7.116  -6.507
  185    HA   THR  32           HA       THR  32 -10.795  -6.036  -6.559
  186    HB   THR  32           HB       THR  32 -12.403  -4.857  -8.720
  187    HG1  THR  32           1HG      THR  32 -11.647  -7.576  -9.116
  188   1HG2  THR  32          1HG2      THR  32 -10.376  -5.039  -9.895
  189   2HG2  THR  32          2HG2      THR  32  -9.804  -6.366  -8.905
  190   3HG2  THR  32          3HG2      THR  32  -9.893  -4.747  -8.231
  191    H    VAL  33           H        VAL  33 -11.247  -3.459  -7.102
  192    HA   VAL  33           HA       VAL  33 -13.204  -2.678  -4.970
  193    HB   VAL  33           HB       VAL  33 -11.917  -0.583  -4.856
  194   1HG1  VAL  33          1HG1      VAL  33  -9.886  -1.521  -3.962
  195   2HG1  VAL  33          2HG1      VAL  33 -10.137  -3.047  -4.788
  196   3HG1  VAL  33          3HG1      VAL  33 -11.228  -2.541  -3.490
  197   1HG2  VAL  33          1HG2      VAL  33 -11.228  -0.585  -7.293
  198   2HG2  VAL  33          2HG2      VAL  33 -10.084  -1.857  -6.916
  199   3HG2  VAL  33          3HG2      VAL  33  -9.919  -0.275  -6.175
  200    H    GLY  34           H        GLY  34 -14.190  -0.422  -5.391
  201   1HA   GLY  34          2HA       GLY  34 -15.967  -0.465  -7.514
  202   2HA   GLY  34          1HA       GLY  34 -15.416   1.037  -6.770
  203    H    SER  35           H        SER  35 -12.660   0.829  -7.516
  204    HA   SER  35           HA       SER  35 -12.862   1.785 -10.267
  205   1HB   SER  35          2HB       SER  35 -10.884   1.843  -8.097
  206   2HB   SER  35          1HB       SER  35 -10.134   1.522  -9.662
  207    HG   SER  35           HG       SER  35 -10.896   3.413 -10.437
  208    H    ASN  36           H        ASN  36 -11.026   0.929 -11.803
  209    HA   ASN  36           HA       ASN  36 -11.640  -1.604 -12.732
  210   1HB   ASN  36          2HB       ASN  36  -8.836  -0.414 -12.754
  211   2HB   ASN  36          1HB       ASN  36  -9.501  -1.583 -13.906
  212   1HD2  ASN  36          1HD2      ASN  36  -8.524   0.814 -14.909
  213   2HD2  ASN  36          2HD2      ASN  36  -9.853   1.793 -15.417
  214    H    SER  37           H        SER  37  -9.048  -0.794 -10.411
  215    HA   SER  37           HA       SER  37  -9.418  -3.018  -8.756
  216   1HB   SER  37          2HB       SER  37  -8.609  -4.201 -10.960
  217   2HB   SER  37          1HB       SER  37  -7.040  -3.524 -10.569
  218    HG   SER  37           HG       SER  37  -7.418  -5.658  -9.725
  219    H    TYR  38           H        TYR  38  -6.760  -3.556  -7.966
  220    HA   TYR  38           HA       TYR  38  -4.990  -1.463  -7.927
  221   1HB   TYR  38          2HB       TYR  38  -7.351  -0.697  -6.434
  222   2HB   TYR  38          1HB       TYR  38  -5.959  -0.756  -5.363
  223    HD1  TYR  38           1HD      TYR  38  -7.586   1.251  -7.764
  224    HD2  TYR  38           2HD      TYR  38  -3.705   0.136  -6.315
  225    HE1  TYR  38           1HE      TYR  38  -6.620   3.285  -8.792
  226    HE2  TYR  38           2HE      TYR  38  -2.746   2.179  -7.350
  227    HH   TYR  38           HH       TYR  38  -3.712   3.781  -9.553
  228    HA   PRO  39           HA       PRO  39  -4.143  -4.063  -4.030
  229   1HB   PRO  39          2HB       PRO  39  -5.869  -6.123  -3.509
  230   2HB   PRO  39          1HB       PRO  39  -5.999  -4.520  -2.811
  231   1HG   PRO  39          2HG       PRO  39  -7.638  -5.762  -4.973
  232   2HG   PRO  39          1HG       PRO  39  -8.092  -4.501  -3.814
  233   1HD   PRO  39          2HD       PRO  39  -7.403  -4.125  -6.494
  234   2HD   PRO  39          1HD       PRO  39  -7.517  -2.836  -5.298
  235    H    HIS  40           H        HIS  40  -2.458  -4.799  -5.368
  236    HA   HIS  40           HA       HIS  40  -2.741  -7.636  -6.249
  237   1HB   HIS  40          2HB       HIS  40  -0.981  -6.293  -8.115
  238   2HB   HIS  40          1HB       HIS  40  -2.479  -7.174  -8.439
  239    HD1  HIS  40           1HD      HIS  40  -4.639  -5.854  -8.657
  240    HD2  HIS  40           2HD      HIS  40  -1.319  -3.474  -7.989
  241    HE1  HIS  40           1HE      HIS  40  -5.289  -3.520  -9.278
  242    HE2  HIS  40           2HE      HIS  40  -3.245  -2.100  -9.050
  243    H    LYS  41           H        LYS  41  -0.317  -8.320  -6.970
  244    HA   LYS  41           HA       LYS  41   1.206  -8.059  -4.556
  245   1HB   LYS  41          2HB       LYS  41   2.707  -9.583  -5.474
  246   2HB   LYS  41          1HB       LYS  41   1.190 -10.001  -6.265
  247   1HG   LYS  41          2HG       LYS  41   2.278  -9.783  -8.196
  248   2HG   LYS  41          1HG       LYS  41   2.161  -8.048  -7.978
  249   1HD   LYS  41          2HD       LYS  41   4.460  -8.520  -8.378
  250   2HD   LYS  41          1HD       LYS  41   4.358  -8.211  -6.649
  251   1HE   LYS  41          2HE       LYS  41   5.121 -10.252  -6.180
  252   2HE   LYS  41          1HE       LYS  41   3.843 -11.014  -7.133
  253   1HZ   LYS  41          1HZ       LYS  41   6.413  -9.950  -8.201
  254   2HZ   LYS  41          2HZ       LYS  41   5.179 -10.649  -9.130
  255   3HZ   LYS  41          3HZ       LYS  41   6.014 -11.580  -7.995
  256    H    TYR  42           H        TYR  42   3.476  -7.249  -4.458
  257    HA   TYR  42           HA       TYR  42   3.925  -4.923  -6.281
  258   1HB   TYR  42          2HB       TYR  42   3.229  -3.886  -4.293
  259   2HB   TYR  42          1HB       TYR  42   4.012  -5.056  -3.273
  260    HD1  TYR  42           1HD      TYR  42   4.549  -2.185  -5.516
  261    HD2  TYR  42           2HD      TYR  42   6.353  -4.823  -2.705
  262    HE1  TYR  42           1HE      TYR  42   6.547  -0.730  -5.385
  263    HE2  TYR  42           2HE      TYR  42   8.344  -3.395  -2.557
  264    HH   TYR  42           HH       TYR  42   9.399  -1.565  -3.412
  265    H    ASN  43           H        ASN  43   6.187  -4.457  -6.658
  266    HA   ASN  43           HA       ASN  43   8.241  -6.138  -5.461
  267   1HB   ASN  43          2HB       ASN  43   8.846  -7.144  -7.797
  268   2HB   ASN  43          1HB       ASN  43   7.501  -7.857  -6.917
  269   1HD2  ASN  43          1HD2      ASN  43   8.239  -7.134  -9.955
  270   2HD2  ASN  43          2HD2      ASN  43   6.699  -6.597 -10.523
  271    H    ASN  44           H        ASN  44   9.364  -4.202  -5.139
  272    HA   ASN  44           HA       ASN  44  10.506  -2.986  -7.622
  273   1HB   ASN  44          2HB       ASN  44   8.620  -1.701  -6.093
  274   2HB   ASN  44          1HB       ASN  44  10.115  -1.061  -5.404
  275   1HD2  ASN  44          1HD2      ASN  44   8.528  -1.699  -8.556
  276   2HD2  ASN  44          2HD2      ASN  44   9.199  -0.295  -9.308
  277    H    TYR  45           H        TYR  45  10.791  -3.407  -4.086
  278    HA   TYR  45           HA       TYR  45  12.678  -3.294  -2.731
  279   1HB   TYR  45          2HB       TYR  45  14.651  -4.596  -4.288
  280   2HB   TYR  45          1HB       TYR  45  13.490  -5.346  -3.198
  281    HD1  TYR  45           1HD      TYR  45  14.593  -5.179  -6.555
  282    HD2  TYR  45           2HD      TYR  45  11.103  -5.798  -4.131
  283    HE1  TYR  45           1HE      TYR  45  13.483  -6.327  -8.452
  284    HE2  TYR  45           2HE      TYR  45  10.024  -6.970  -6.012
  285    HH   TYR  45           HH       TYR  45  10.660  -6.697  -9.007
  286    H    GLU  46           H        GLU  46  12.351  -1.026  -4.684
  287    HA   GLU  46           HA       GLU  46  14.561  -0.165  -6.006
  288   1HB   GLU  46          2HB       GLU  46  12.261   1.013  -5.005
  289   2HB   GLU  46          1HB       GLU  46  13.510   1.851  -4.090
  290   1HG   GLU  46          2HG       GLU  46  14.421   1.682  -6.797
  291   2HG   GLU  46          1HG       GLU  46  12.721   2.166  -6.828
  292    H    GLY  47           H        GLY  47  14.279  -0.622  -2.561
  293   1HA   GLY  47          2HA       GLY  47  16.996  -0.828  -2.001
  294   2HA   GLY  47          1HA       GLY  47  16.628   0.889  -1.805
  295    H    PHE  48           H        PHE  48  13.805   0.083  -0.992
  296    HA   PHE  48           HA       PHE  48  14.433  -0.321   1.875
  297   1HB   PHE  48          2HB       PHE  48  11.689   0.018   1.776
  298   2HB   PHE  48          1HB       PHE  48  12.859   1.305   1.971
  299    HD1  PHE  48           1HD      PHE  48  10.529  -0.288  -0.344
  300    HD2  PHE  48           2HD      PHE  48  13.568   2.701   0.082
  301    HE1  PHE  48           1HE      PHE  48   9.802   0.736  -2.478
  302    HE2  PHE  48           2HE      PHE  48  12.856   3.727  -2.062
  303    HZ   PHE  48           HZ       PHE  48  10.988   2.725  -3.341
  304    H    ASP  49           H        ASP  49  14.926  -2.621   0.493
  305    HA   ASP  49           HA       ASP  49  12.865  -4.404  -0.029
  306   1HB   ASP  49          2HB       ASP  49  15.663  -4.589   0.369
  307   2HB   ASP  49          1HB       ASP  49  14.978  -5.750   1.503
  308    H    PHE  50           H        PHE  50  11.087  -4.498   1.287
  309    HA   PHE  50           HA       PHE  50  11.187  -4.227   4.156
  310   1HB   PHE  50          2HB       PHE  50   8.971  -5.646   2.692
  311   2HB   PHE  50          1HB       PHE  50   8.877  -4.676   4.128
  312    HD1  PHE  50           1HD      PHE  50   8.027  -4.551   0.804
  313    HD2  PHE  50           2HD      PHE  50  10.086  -2.238   3.757
  314    HE1  PHE  50           1HE      PHE  50   7.586  -2.538  -0.517
  315    HE2  PHE  50           2HE      PHE  50   9.632  -0.188   2.435
  316    HZ   PHE  50           HZ       PHE  50   8.391  -0.342   0.298
  317    H    SER  51           H        SER  51  10.521  -6.028   5.691
  318    HA   SER  51           HA       SER  51  11.866  -8.579   4.857
  319   1HB   SER  51          2HB       SER  51  12.944  -7.470   6.749
  320   2HB   SER  51          1HB       SER  51  11.405  -7.403   7.618
  321    HG   SER  51           HG       SER  51  11.491  -9.536   7.967
  322    H    VAL  52           H        VAL  52   8.951  -7.717   4.468
  323    HA   VAL  52           HA       VAL  52   7.480  -9.467   6.302
  324    HB   VAL  52           HB       VAL  52   6.475  -8.193   3.730
  325   1HG1  VAL  52          1HG1      VAL  52   5.176  -9.134   6.248
  326   2HG1  VAL  52          2HG1      VAL  52   5.027  -9.915   4.720
  327   3HG1  VAL  52          3HG1      VAL  52   4.302  -8.321   4.976
  328   1HG2  VAL  52          1HG2      VAL  52   6.638  -7.058   6.540
  329   2HG2  VAL  52          2HG2      VAL  52   5.704  -6.355   5.223
  330   3HG2  VAL  52          3HG2      VAL  52   7.453  -6.437   5.105
  331    H    SER  53           H        SER  53   7.961  -9.442   2.729
  332    HA   SER  53           HA       SER  53   8.646 -12.225   2.622
  333   1HB   SER  53          2HB       SER  53   6.019 -12.085   3.199
  334   2HB   SER  53          1HB       SER  53   5.901 -11.852   1.461
  335    HG   SER  53           HG       SER  53   5.862 -14.081   2.195
  336    H    SER  54           H        SER  54   8.444 -13.035   0.259
  337    HA   SER  54           HA       SER  54   9.629 -11.051  -1.472
  338   1HB   SER  54          2HB       SER  54   8.497 -13.339  -2.929
  339   2HB   SER  54          1HB       SER  54  10.162 -12.839  -2.697
  340    HG   SER  54           HG       SER  54   9.579 -14.905  -1.730
  341    HA   PRO  55           HA       PRO  55   5.458 -11.211  -3.807
  342   1HB   PRO  55          2HB       PRO  55   3.389 -12.556  -2.621
  343   2HB   PRO  55          1HB       PRO  55   4.549 -13.298  -3.719
  344   1HG   PRO  55          2HG       PRO  55   4.371 -13.534  -0.740
  345   2HG   PRO  55          1HG       PRO  55   4.978 -14.708  -1.922
  346   1HD   PRO  55          2HD       PRO  55   6.525 -13.038  -0.309
  347   2HD   PRO  55          1HD       PRO  55   7.091 -13.938  -1.708
  348    H    TYR  56           H        TYR  56   5.597  -9.036  -3.089
  349    HA   TYR  56           HA       TYR  56   4.287  -8.199  -0.604
  350   1HB   TYR  56          2HB       TYR  56   5.431  -6.726  -2.981
  351   2HB   TYR  56          1HB       TYR  56   4.659  -5.881  -1.690
  352    HD1  TYR  56           1HD      TYR  56   5.434  -6.937   0.752
  353    HD2  TYR  56           2HD      TYR  56   7.738  -6.608  -2.857
  354    HE1  TYR  56           1HE      TYR  56   7.516  -6.944   2.085
  355    HE2  TYR  56           2HE      TYR  56   9.830  -6.608  -1.527
  356    HH   TYR  56           HH       TYR  56  10.314  -7.671   1.181
  357    H    TYR  57           H        TYR  57   2.783  -6.048  -1.245
  358    HA   TYR  57           HA       TYR  57   0.933  -6.625  -3.376
  359   1HB   TYR  57          2HB       TYR  57   0.124  -6.949  -0.475
  360   2HB   TYR  57          1HB       TYR  57  -1.042  -6.704  -1.786
  361    HD1  TYR  57           1HD      TYR  57   0.756  -9.143  -0.007
  362    HD2  TYR  57           2HD      TYR  57  -0.854  -8.275  -3.839
  363    HE1  TYR  57           1HE      TYR  57   0.842 -11.562  -0.581
  364    HE2  TYR  57           2HE      TYR  57  -0.781 -10.664  -4.449
  365    HH   TYR  57           HH       TYR  57   0.942 -12.841  -3.194
  366    H    GLU  58           H        GLU  58   0.768  -4.641  -4.224
  367    HA   GLU  58           HA       GLU  58   1.111  -2.263  -2.542
  368   1HB   GLU  58          2HB       GLU  58   0.746  -1.039  -4.719
  369   2HB   GLU  58          1HB       GLU  58   2.089  -2.179  -4.734
  370   1HG   GLU  58          2HG       GLU  58   0.958  -3.757  -6.017
  371   2HG   GLU  58          1HG       GLU  58  -0.637  -3.100  -5.652
  372    H    TRP  59           H        TRP  59  -0.456  -0.835  -1.928
  373    HA   TRP  59           HA       TRP  59  -3.154  -0.919  -3.023
  374   1HB   TRP  59          2HB       TRP  59  -3.453  -2.762  -1.522
  375   2HB   TRP  59          1HB       TRP  59  -2.549  -1.950  -0.237
  376    HD1  TRP  59           HD       TRP  59  -3.788  -0.279   1.267
  377    HE1  TRP  59           1HE      TRP  59  -6.253   0.396   1.536
  378    HE3  TRP  59           3HE      TRP  59  -5.735  -2.442  -2.931
  379    HZ2  TRP  59           2HZ      TRP  59  -8.719   0.057   0.114
  380    HZ3  TRP  59           3HZ      TRP  59  -8.142  -2.273  -3.415
  381    HH2  TRP  59           HH       TRP  59  -9.655  -1.036  -1.908
  382    HA   PRO  60           HA       PRO  60  -2.560   3.296  -1.699
  383   1HB   PRO  60          2HB       PRO  60  -5.155   4.158  -1.986
  384   2HB   PRO  60          1HB       PRO  60  -4.038   3.922  -3.316
  385   1HG   PRO  60          2HG       PRO  60  -6.234   2.134  -2.404
  386   2HG   PRO  60          1HG       PRO  60  -5.701   2.436  -4.060
  387   1HD   PRO  60          2HD       PRO  60  -5.104   0.219  -2.578
  388   2HD   PRO  60          1HD       PRO  60  -4.127   0.758  -3.899
  389    H    ILE  61           H        ILE  61  -2.797   4.507   0.152
  390    HA   ILE  61           HA       ILE  61  -4.385   3.253   2.355
  391    HB   ILE  61           HB       ILE  61  -2.108   3.300   3.016
  392   1HG1  ILE  61          2HG1      ILE  61  -2.048   4.860   4.856
  393   2HG1  ILE  61          1HG1      ILE  61  -3.200   5.940   4.073
  394   1HG2  ILE  61          1HG2      ILE  61  -1.098   4.606   1.310
  395   2HG2  ILE  61          2HG2      ILE  61  -0.781   5.489   2.793
  396   3HG2  ILE  61          3HG2      ILE  61  -2.057   6.026   1.711
  397   1HD1  ILE  61          1HD1      ILE  61  -4.500   3.452   4.179
  398   2HD1  ILE  61          2HD1      ILE  61  -4.796   4.837   5.184
  399   3HD1  ILE  61          3HD1      ILE  61  -3.675   3.619   5.693
  400    H    LEU  62           H        LEU  62  -5.978   4.546   3.360
  401    HA   LEU  62           HA       LEU  62  -6.149   7.396   2.452
  402   1HB   LEU  62          2HB       LEU  62  -8.612   5.842   3.194
  403   2HB   LEU  62          1HB       LEU  62  -8.405   7.176   2.047
  404    HG   LEU  62           HG       LEU  62  -7.578   4.281   1.648
  405   1HD1  LEU  62          1HD1      LEU  62  -9.035   4.916  -0.484
  406   2HD1  LEU  62          2HD1      LEU  62  -9.747   6.072   0.625
  407   3HD1  LEU  62          3HD1      LEU  62  -9.745   4.357   1.008
  408   1HD2  LEU  62          1HD2      LEU  62  -7.198   5.785  -0.705
  409   2HD2  LEU  62          2HD2      LEU  62  -5.978   5.025   0.255
  410   3HD2  LEU  62          3HD2      LEU  62  -6.407   6.716   0.531
  411    H    SER  63           H        SER  63  -7.538   8.722   3.972
  412    HA   SER  63           HA       SER  63  -7.105   7.823   6.809
  413   1HB   SER  63          2HB       SER  63  -5.780   9.887   5.690
  414   2HB   SER  63          1HB       SER  63  -7.212  10.748   6.195
  415    HG   SER  63           HG       SER  63  -5.670  10.700   7.857
  416    H    SER  64           H        SER  64  -9.414   8.377   4.502
  417    HA   SER  64           HA       SER  64 -11.343   9.667   6.351
  418   1HB   SER  64          2HB       SER  64 -10.971   9.536   3.472
  419   2HB   SER  64          1HB       SER  64 -12.599   9.024   3.882
  420    HG   SER  64           HG       SER  64 -11.326  11.479   4.388
  421    H    GLY  65           H        GLY  65 -13.707   8.444   5.526
  422   1HA   GLY  65          2HA       GLY  65 -13.331   5.677   6.617
  423   2HA   GLY  65          1HA       GLY  65 -14.813   6.624   6.667
  424    H    ASP  66           H        ASP  66 -12.555   5.584   4.075
  425    HA   ASP  66           HA       ASP  66 -14.706   4.076   2.797
  426   1HB   ASP  66          2HB       ASP  66 -14.437   6.826   2.135
  427   2HB   ASP  66          1HB       ASP  66 -13.698   5.965   0.783
  428    H    VAL  67           H        VAL  67 -13.510   2.272   2.466
  429    HA   VAL  67           HA       VAL  67 -10.729   2.115   2.049
  430    HB   VAL  67           HB       VAL  67 -12.961   0.318   1.034
  431   1HG1  VAL  67          1HG1      VAL  67  -9.998  -0.224   1.220
  432   2HG1  VAL  67          2HG1      VAL  67 -10.876  -0.025  -0.300
  433   3HG1  VAL  67          3HG1      VAL  67 -11.217  -1.392   0.746
  434   1HG2  VAL  67          1HG2      VAL  67 -12.799   0.533   3.485
  435   2HG2  VAL  67          2HG2      VAL  67 -11.086   0.126   3.416
  436   3HG2  VAL  67          3HG2      VAL  67 -12.299  -1.073   2.966
  437    H    TYR  68           H        TYR  68  -9.414   2.192   0.157
  438    HA   TYR  68           HA       TYR  68 -10.067   3.961  -1.874
  439   1HB   TYR  68          2HB       TYR  68  -7.798   2.916  -1.484
  440   2HB   TYR  68          1HB       TYR  68  -8.356   1.488  -2.363
  441    HD1  TYR  68           1HD      TYR  68  -7.303   4.971  -2.646
  442    HD2  TYR  68           2HD      TYR  68  -8.962   1.621  -4.756
  443    HE1  TYR  68           1HE      TYR  68  -6.828   6.073  -4.789
  444    HE2  TYR  68           2HE      TYR  68  -8.478   2.750  -6.906
  445    HH   TYR  68           HH       TYR  68  -7.708   4.628  -7.919
  446    H    SER  69           H        SER  69 -11.631   3.933  -3.381
  447    HA   SER  69           HA       SER  69 -12.163   1.576  -5.009
  448   1HB   SER  69          2HB       SER  69 -14.645   1.495  -4.299
  449   2HB   SER  69          1HB       SER  69 -13.482   0.832  -3.150
  450    HG   SER  69           HG       SER  69 -14.893   2.228  -2.076
  451    H    GLY  70           H        GLY  70 -11.493   4.467  -5.290
  452   1HA   GLY  70          2HA       GLY  70 -13.904   5.371  -6.842
  453   2HA   GLY  70          1HA       GLY  70 -12.750   6.452  -6.068
  454    H    GLY  71           H        GLY  71 -10.388   6.077  -6.817
  455   1HA   GLY  71          2HA       GLY  71  -9.394   4.903  -9.016
  456   2HA   GLY  71          1HA       GLY  71 -10.438   6.087  -9.793
  457    H    SER  72           H        SER  72  -7.505   5.946  -9.876
  458    HA   SER  72           HA       SER  72  -5.684   7.365  -9.691
  459   1HB   SER  72          2HB       SER  72  -6.653   9.926  -9.462
  460   2HB   SER  72          1HB       SER  72  -6.521   9.015 -10.966
  461    HG   SER  72           HG       SER  72  -8.778   9.619  -9.470
  462    HA   PRO  73           HA       PRO  73  -5.864   7.763  -5.108
  463   1HB   PRO  73          2HB       PRO  73  -3.425   6.563  -4.736
  464   2HB   PRO  73          1HB       PRO  73  -4.905   5.661  -4.870
  465   1HG   PRO  73          2HG       PRO  73  -2.728   5.946  -6.868
  466   2HG   PRO  73          1HG       PRO  73  -3.912   4.670  -6.658
  467   1HD   PRO  73          2HD       PRO  73  -3.997   6.748  -8.602
  468   2HD   PRO  73          1HD       PRO  73  -5.301   5.608  -8.248
  469    H    GLY  74           H        GLY  74  -2.551   7.885  -6.481
  470   1HA   GLY  74          2HA       GLY  74  -1.360   9.899  -6.949
  471   2HA   GLY  74          1HA       GLY  74  -2.461  10.799  -5.915
  472    H    ALA  75           H        ALA  75   0.474   8.968  -6.028
  473    HA   ALA  75           HA       ALA  75   2.130   8.714  -4.411
  474   1HB   ALA  75          1HB       ALA  75   0.732  10.599  -2.588
  475   2HB   ALA  75          2HB       ALA  75   1.385  11.181  -4.101
  476   3HB   ALA  75          3HB       ALA  75   2.435  10.443  -2.934
  477    H    ASP  76           H        ASP  76   1.701   8.977  -1.499
  478    HA   ASP  76           HA       ASP  76   1.428   7.325   0.138
  479   1HB   ASP  76          2HB       ASP  76  -1.411   8.057  -0.660
  480   2HB   ASP  76          1HB       ASP  76  -0.913   7.402   0.894
  481    H    ARG  77           H        ARG  77   1.911   5.192  -0.175
  482    HA   ARG  77           HA       ARG  77  -0.263   3.420  -1.060
  483   1HB   ARG  77          2HB       ARG  77   1.296   4.199  -3.090
  484   2HB   ARG  77          1HB       ARG  77   2.362   2.945  -2.466
  485   1HG   ARG  77          2HG       ARG  77   0.703   1.265  -2.689
  486   2HG   ARG  77          1HG       ARG  77  -0.556   2.448  -3.036
  487   1HD   ARG  77          2HD       ARG  77   1.881   2.392  -4.808
  488   2HD   ARG  77          1HD       ARG  77   0.688   1.102  -4.978
  489    HE   ARG  77           HE       ARG  77   0.392   3.811  -5.788
  490   1HH1  ARG  77          1HH1      ARG  77  -1.529   1.026  -5.454
  491   2HH1  ARG  77          2HH1      ARG  77  -2.949   1.887  -4.990
  492   1HH2  ARG  77          1HH2      ARG  77  -1.453   5.003  -4.962
  493   2HH2  ARG  77          2HH2      ARG  77  -2.925   4.121  -4.794
  494    H    VAL  78           H        VAL  78  -0.256   2.050   0.642
  495    HA   VAL  78           HA       VAL  78   2.290   1.376   2.007
  496    HB   VAL  78           HB       VAL  78   0.386   1.937   3.422
  497   1HG1  VAL  78          1HG1      VAL  78  -1.602   0.442   3.435
  498   2HG1  VAL  78          2HG1      VAL  78  -0.975  -0.403   2.028
  499   3HG1  VAL  78          3HG1      VAL  78  -1.434   1.293   1.914
  500   1HG2  VAL  78          1HG2      VAL  78   2.030   0.122   4.105
  501   2HG2  VAL  78          2HG2      VAL  78   0.838  -1.061   3.596
  502   3HG2  VAL  78          3HG2      VAL  78   0.472   0.064   4.892
  503    H    VAL  79           H        VAL  79   2.947  -0.869   2.324
  504    HA   VAL  79           HA       VAL  79   1.823  -2.713   0.242
  505    HB   VAL  79           HB       VAL  79   4.660  -2.540   1.239
  506   1HG1  VAL  79          1HG1      VAL  79   4.205  -4.834   0.595
  507   2HG1  VAL  79          2HG1      VAL  79   5.033  -4.086  -0.746
  508   3HG1  VAL  79          3HG1      VAL  79   3.290  -4.285  -0.811
  509   1HG2  VAL  79          1HG2      VAL  79   3.425  -1.692  -1.369
  510   2HG2  VAL  79          2HG2      VAL  79   5.159  -1.790  -1.057
  511   3HG2  VAL  79          3HG2      VAL  79   4.168  -0.646  -0.154
  512    H    PHE  80           H        PHE  80   2.189  -5.022   0.767
  513    HA   PHE  80           HA       PHE  80   2.664  -5.765   3.514
  514   1HB   PHE  80          2HB       PHE  80   0.304  -6.457   3.954
  515   2HB   PHE  80          1HB       PHE  80   0.500  -4.729   3.753
  516    HD1  PHE  80           1HD      PHE  80  -1.241  -7.611   2.626
  517    HD2  PHE  80           2HD      PHE  80   0.070  -3.720   1.375
  518    HE1  PHE  80           1HE      PHE  80  -2.893  -7.629   0.783
  519    HE2  PHE  80           2HE      PHE  80  -1.550  -3.755  -0.464
  520    HZ   PHE  80           HZ       PHE  80  -3.065  -5.693  -0.761
  521    H    ASN  81           H        ASN  81   1.594  -8.158   3.731
  522    HA   ASN  81           HA       ASN  81   2.161  -9.560   1.148
  523   1HB   ASN  81          2HB       ASN  81   3.787 -10.762   2.101
  524   2HB   ASN  81          1HB       ASN  81   3.680  -9.682   3.461
  525   1HD2  ASN  81          1HD2      ASN  81   2.464 -10.403   5.346
  526   2HD2  ASN  81          2HD2      ASN  81   2.080 -12.070   5.543
  527    H    GLU  82           H        GLU  82   0.380  -9.610   4.204
  528    HA   GLU  82           HA       GLU  82  -2.069 -10.397   3.270
  529   1HB   GLU  82          2HB       GLU  82  -0.136 -12.674   3.271
  530   2HB   GLU  82          1HB       GLU  82  -1.680 -13.018   4.029
  531   1HG   GLU  82          2HG       GLU  82  -2.854 -12.936   2.154
  532   2HG   GLU  82          1HG       GLU  82  -1.959 -11.593   1.440
  533    H    ASN  83           H        ASN  83   0.367 -10.794   5.739
  534    HA   ASN  83           HA       ASN  83  -1.707 -11.195   7.803
  535   1HB   ASN  83          2HB       ASN  83   0.802 -12.317   7.530
  536   2HB   ASN  83          1HB       ASN  83   1.126 -11.002   8.650
  537   1HD2  ASN  83          1HD2      ASN  83   0.320 -14.173   8.647
  538   2HD2  ASN  83          2HD2      ASN  83  -0.554 -14.222  10.135
  539    H    ASN  84           H        ASN  84  -1.009  -8.625   6.227
  540    HA   ASN  84           HA       ASN  84  -0.774  -6.397   6.631
  541   1HB   ASN  84          2HB       ASN  84  -2.109  -5.530   8.381
  542   2HB   ASN  84          1HB       ASN  84  -2.855  -7.091   8.027
  543   1HD2  ASN  84          1HD2      ASN  84  -3.124  -8.448   9.781
  544   2HD2  ASN  84          2HD2      ASN  84  -2.288  -8.267  11.283
  545    H    GLN  85           H        GLN  85   1.461  -8.234   7.449
  546    HA   GLN  85           HA       GLN  85   2.729  -7.324   9.824
  547   1HB   GLN  85          2HB       GLN  85   4.448  -7.797   7.423
  548   2HB   GLN  85          1HB       GLN  85   4.633  -8.381   9.071
  549   1HG   GLN  85          2HG       GLN  85   2.508  -9.791   8.571
  550   2HG   GLN  85          1HG       GLN  85   2.885  -9.452   6.880
  551   1HE2  GLN  85          1HE2      GLN  85   4.925 -10.262   9.733
  552   2HE2  GLN  85          2HE2      GLN  85   5.727 -11.555   8.925
  553    H    LEU  86           H        LEU  86   2.418  -5.977   6.601
  554    HA   LEU  86           HA       LEU  86   2.528  -3.768   5.994
  555   1HB   LEU  86          2HB       LEU  86   2.429  -3.369   8.634
  556   2HB   LEU  86          1HB       LEU  86   4.141  -2.978   8.430
  557    HG   LEU  86           HG       LEU  86   3.005  -0.914   8.182
  558   1HD1  LEU  86          1HD1      LEU  86   4.698  -1.502   6.384
  559   2HD1  LEU  86          2HD1      LEU  86   3.536  -0.263   5.974
  560   3HD1  LEU  86          3HD1      LEU  86   3.327  -1.872   5.320
  561   1HD2  LEU  86          1HD2      LEU  86   0.750  -2.163   7.783
  562   2HD2  LEU  86          2HD2      LEU  86   1.202  -2.071   6.079
  563   3HD2  LEU  86          3HD2      LEU  86   0.998  -0.596   7.011
  564    H    ALA  87           H        ALA  87   3.922  -3.898   4.293
  565    HA   ALA  87           HA       ALA  87   6.744  -4.568   4.569
  566   1HB   ALA  87          1HB       ALA  87   6.558  -4.869   2.364
  567   2HB   ALA  87          2HB       ALA  87   6.137  -3.184   2.108
  568   3HB   ALA  87          3HB       ALA  87   4.896  -4.365   2.452
  569    H    GLY  88           H        GLY  88   4.887  -1.626   3.935
  570   1HA   GLY  88          2HA       GLY  88   6.395   0.152   5.462
  571   2HA   GLY  88          1HA       GLY  88   7.209   0.111   3.899
  572    H    VAL  89           H        VAL  89   6.563   2.344   3.515
  573    HA   VAL  89           HA       VAL  89   3.748   2.509   2.524
  574    HB   VAL  89           HB       VAL  89   5.122   4.426   4.393
  575   1HG1  VAL  89          1HG1      VAL  89   4.241   5.931   2.853
  576   2HG1  VAL  89          2HG1      VAL  89   2.914   5.769   3.961
  577   3HG1  VAL  89          3HG1      VAL  89   2.890   4.898   2.431
  578   1HG2  VAL  89          1HG2      VAL  89   3.806   2.690   5.493
  579   2HG2  VAL  89          2HG2      VAL  89   2.493   2.933   4.387
  580   3HG2  VAL  89          3HG2      VAL  89   2.856   4.164   5.549
  581    H    ILE  90           H        ILE  90   4.836   2.186   0.463
  582    HA   ILE  90           HA       ILE  90   6.717   4.247  -0.451
  583    HB   ILE  90           HB       ILE  90   6.713   3.080  -2.513
  584   1HG1  ILE  90          2HG1      ILE  90   4.075   2.045  -1.525
  585   2HG1  ILE  90          1HG1      ILE  90   4.525   2.512  -3.152
  586   1HG2  ILE  90          1HG2      ILE  90   6.424   1.006  -0.324
  587   2HG2  ILE  90          2HG2      ILE  90   7.816   2.065  -0.502
  588   3HG2  ILE  90          3HG2      ILE  90   7.442   0.912  -1.766
  589   1HD1  ILE  90          1HD1      ILE  90   5.498  -0.003  -1.797
  590   2HD1  ILE  90          2HD1      ILE  90   5.697   0.441  -3.457
  591   3HD1  ILE  90          3HD1      ILE  90   4.104   0.070  -2.841
  592    H    THR  91           H        THR  91   6.188   5.823  -2.106
  593    HA   THR  91           HA       THR  91   3.259   6.448  -2.189
  594    HB   THR  91           HB       THR  91   4.325   8.173  -0.958
  595    HG1  THR  91           1HG      THR  91   4.198   9.948  -2.454
  596   1HG2  THR  91          1HG2      THR  91   6.474   8.029  -3.079
  597   2HG2  THR  91          2HG2      THR  91   6.639   7.706  -1.353
  598   3HG2  THR  91          3HG2      THR  91   6.346   9.340  -1.919
  599    H    HIS  92           H        HIS  92   2.327   6.808  -4.134
  600    HA   HIS  92           HA       HIS  92   3.865   6.306  -6.567
  601   1HB   HIS  92          2HB       HIS  92   1.128   5.996  -5.738
  602   2HB   HIS  92          1HB       HIS  92   1.132   7.068  -7.133
  603    HD1  HIS  92           1HD      HIS  92   3.673   4.311  -6.686
  604    HD2  HIS  92           2HD      HIS  92   0.251   5.127  -8.931
  605    HE1  HIS  92           1HE      HIS  92   3.585   2.604  -8.526
  606    HE2  HIS  92           2HE      HIS  92   1.329   2.856  -9.620
  607    H    THR  93           H        THR  93   4.994   8.484  -5.754
  608    HA   THR  93           HA       THR  93   4.408  10.468  -7.725
  609    HB   THR  93           HB       THR  93   3.330  10.978  -4.959
  610    HG1  THR  93           1HG      THR  93   1.477  11.502  -6.154
  611   1HG2  THR  93          1HG2      THR  93   4.304  12.957  -7.004
  612   2HG2  THR  93          2HG2      THR  93   4.550  12.945  -5.253
  613   3HG2  THR  93          3HG2      THR  93   2.975  13.352  -5.918
  614    H    GLY  94           H        GLY  94   5.903   9.674  -4.617
  615   1HA   GLY  94          2HA       GLY  94   7.713  11.806  -4.388
  616   2HA   GLY  94          1HA       GLY  94   8.027  10.169  -3.811
  617    H    ALA  95           H        ALA  95   7.598   9.311  -6.798
  618    HA   ALA  95           HA       ALA  95  10.332  10.110  -7.718
  619   1HB   ALA  95          1HB       ALA  95  10.723   7.908  -7.412
  620   2HB   ALA  95          2HB       ALA  95   9.878   7.714  -8.942
  621   3HB   ALA  95          3HB       ALA  95   9.019   7.494  -7.413
  622    H    SER  96           H        SER  96  10.507   9.640 -10.183
  623    HA   SER  96           HA       SER  96   9.024  11.390 -11.674
  624   1HB   SER  96          2HB       SER  96  10.949   9.754 -12.382
  625   2HB   SER  96          1HB       SER  96   9.637   8.693 -12.906
  626    HG   SER  96           HG       SER  96   9.000  10.198 -14.370
  627    H    GLY  97           H        GLY  97   6.882  11.551 -12.274
  628   1HA   GLY  97          2HA       GLY  97   4.646  10.937 -12.603
  629   2HA   GLY  97          1HA       GLY  97   5.226   9.308 -12.962
  630    H    ASN  98           H        ASN  98   5.451   7.799 -11.198
  631    HA   ASN  98           HA       ASN  98   4.384   8.695  -8.609
  632   1HB   ASN  98          2HB       ASN  98   3.352   6.095  -9.088
  633   2HB   ASN  98          1HB       ASN  98   2.422   7.556  -8.862
  634   1HD2  ASN  98          1HD2      ASN  98   1.201   8.192 -10.590
  635   2HD2  ASN  98          2HD2      ASN  98   1.467   7.642 -12.206
  636    H    ASN  99           H        ASN  99   5.391   5.628 -10.147
  637    HA   ASN  99           HA       ASN  99   6.780   3.970  -9.295
  638   1HB   ASN  99          2HB       ASN  99   8.211   6.459  -9.482
  639   2HB   ASN  99          1HB       ASN  99   8.778   5.635  -8.028
  640   1HD2  ASN  99          1HD2      ASN  99  10.842   5.298  -9.149
  641   2HD2  ASN  99          2HD2      ASN  99  10.956   4.019 -10.305
  642    H    PHE 100           H        PHE 100   8.341   3.672  -7.059
  643    HA   PHE 100           HA       PHE 100   6.524   4.395  -4.791
  644   1HB   PHE 100          2HB       PHE 100   7.860   1.730  -4.624
  645   2HB   PHE 100          1HB       PHE 100   6.285   2.266  -4.141
  646    HD1  PHE 100           1HD      PHE 100   8.196   1.694  -7.268
  647    HD2  PHE 100           2HD      PHE 100   4.415   1.512  -5.233
  648    HE1  PHE 100           1HE      PHE 100   7.164   0.673  -9.273
  649    HE2  PHE 100           2HE      PHE 100   3.390   0.471  -7.234
  650    HZ   PHE 100           HZ       PHE 100   4.764   0.050  -9.252
  651    H    VAL 101           H        VAL 101   7.609   5.193  -3.077
  652    HA   VAL 101           HA       VAL 101  10.439   4.499  -2.641
  653    HB   VAL 101           HB       VAL 101  10.809   7.073  -2.269
  654   1HG1  VAL 101          1HG1      VAL 101  10.607   5.923  -5.072
  655   2HG1  VAL 101          2HG1      VAL 101  11.951   5.636  -3.965
  656   3HG1  VAL 101          3HG1      VAL 101  11.621   7.265  -4.547
  657   1HG2  VAL 101          1HG2      VAL 101   8.539   7.040  -4.304
  658   2HG2  VAL 101          2HG2      VAL 101   9.483   8.438  -3.798
  659   3HG2  VAL 101          3HG2      VAL 101   8.446   7.628  -2.648
  660    H    GLU 102           H        GLU 102  10.796   4.252  -0.485
  661    HA   GLU 102           HA       GLU 102   8.762   4.293   1.414
  662   1HB   GLU 102          2HB       GLU 102  10.608   4.391   3.138
  663   2HB   GLU 102          1HB       GLU 102  10.856   3.164   1.887
  664   1HG   GLU 102          2HG       GLU 102  12.407   4.585   0.691
  665   2HG   GLU 102          1HG       GLU 102  12.088   5.929   1.769
  666    H    CYS 103           H        CYS 103   7.807   5.886   2.636
  667    HA   CYS 103           HA       CYS 103   8.243   8.634   1.945
  668   1HB   CYS 103          2HB       CYS 103   6.661   7.180   4.075
  669   2HB   CYS 103          1HB       CYS 103   6.815   8.932   4.175
  670    H    THR 104           H        THR 104   9.201  10.333   3.157
  671    HA   THR 104           HA       THR 104  10.894   9.468   5.474
  672    HB   THR 104           HB       THR 104  12.825  10.601   4.567
  673    HG1  THR 104           1HG      THR 104  11.117  11.373   2.396
  674   1HG2  THR 104          1HG2      THR 104  13.306   9.262   2.637
  675   2HG2  THR 104          2HG2      THR 104  11.597   9.057   2.274
  676   3HG2  THR 104          3HG2      THR 104  12.295   8.284   3.701
  Start of MODEL   11
    1   1H    ALA   1          1HT       ALA   1  -1.624  12.507  15.312
    2   2H    ALA   1          2HT       ALA   1   0.042  12.930  15.300
    3   3H    ALA   1          3HT       ALA   1  -0.819  12.891  16.780
    4    HA   ALA   1           HA       ALA   1   0.585  10.975  16.573
    5   1HB   ALA   1          1HB       ALA   1  -2.369  10.368  16.267
    6   2HB   ALA   1          2HB       ALA   1  -1.545  10.777  17.770
    7   3HB   ALA   1          3HB       ALA   1  -1.159   9.270  16.939
    8    H    CYS   2           H        CYS   2   1.680   9.793  15.059
    9    HA   CYS   2           HA       CYS   2   0.666   8.197  13.102
   10   1HB   CYS   2          2HB       CYS   2   1.059   9.716  11.015
   11   2HB   CYS   2          1HB       CYS   2  -0.451   9.876  11.913
   12    H    ASP   3           H        ASP   3   2.345   7.133  11.978
   13    HA   ASP   3           HA       ASP   3   5.073   8.176  12.603
   14   1HB   ASP   3          2HB       ASP   3   4.506   5.897  13.427
   15   2HB   ASP   3          1HB       ASP   3   4.218   5.381  11.760
   16    H    TYR   4           H        TYR   4   3.079   6.838   9.952
   17    HA   TYR   4           HA       TYR   4   5.221   7.361   8.004
   18   1HB   TYR   4          2HB       TYR   4   2.385   6.295   7.846
   19   2HB   TYR   4          1HB       TYR   4   3.271   6.736   6.378
   20    HD1  TYR   4           1HD      TYR   4   2.633   4.107   8.636
   21    HD2  TYR   4           2HD      TYR   4   5.753   5.837   6.248
   22    HE1  TYR   4           1HE      TYR   4   3.857   1.950   8.673
   23    HE2  TYR   4           2HE      TYR   4   6.976   3.682   6.279
   24    HH   TYR   4           HH       TYR   4   6.766   1.452   8.254
   25    H    THR   5           H        THR   5   5.467   9.245   6.897
   26    HA   THR   5           HA       THR   5   3.123  11.091   6.691
   27    HB   THR   5           HB       THR   5   5.872  12.229   7.253
   28    HG1  THR   5           1HG      THR   5   5.633  11.914   9.396
   29   1HG2  THR   5          1HG2      THR   5   3.171  13.158   8.201
   30   2HG2  THR   5          2HG2      THR   5   3.761  13.563   6.587
   31   3HG2  THR   5          3HG2      THR   5   4.652  14.090   8.013
   32    H    CYS   6           H        CYS   6   2.838  11.198   4.499
   33    HA   CYS   6           HA       CYS   6   5.278  11.332   2.772
   34   1HB   CYS   6          2HB       CYS   6   2.405  10.553   2.199
   35   2HB   CYS   6          1HB       CYS   6   3.632  10.773   0.933
   36    H    GLY   7           H        GLY   7   3.614  13.450   4.318
   37   1HA   GLY   7          2HA       GLY   7   4.128  15.777   3.460
   38   2HA   GLY   7          1HA       GLY   7   3.244  15.322   2.008
   39    H    SER   8           H        SER   8   2.942  16.245   5.367
   40    HA   SER   8           HA       SER   8   1.081  16.863   6.617
   41   1HB   SER   8          2HB       SER   8   0.886  18.081   4.099
   42   2HB   SER   8          1HB       SER   8  -0.724  17.411   4.356
   43    HG   SER   8           HG       SER   8   0.691  19.298   5.892
   44    H    ASN   9           H        ASN   9   1.316  14.032   5.674
   45    HA   ASN   9           HA       ASN   9  -1.532  13.259   5.331
   46   1HB   ASN   9          2HB       ASN   9   1.122  11.971   4.895
   47   2HB   ASN   9          1HB       ASN   9  -0.181  10.896   5.401
   48   1HD2  ASN   9          1HD2      ASN   9   1.136  12.583   2.722
   49   2HD2  ASN   9          2HD2      ASN   9  -0.170  12.261   1.636
   50    H    CYS  10           H        CYS  10   1.193  12.774   7.597
   51    HA   CYS  10           HA       CYS  10   1.191  11.993   9.752
   52   1HB   CYS  10          2HB       CYS  10   0.031  14.142  10.127
   53   2HB   CYS  10          1HB       CYS  10  -1.525  13.382   9.761
   54    H    TYR  11           H        TYR  11   0.547   9.976   8.067
   55    HA   TYR  11           HA       TYR  11  -1.978   8.698   8.960
   56   1HB   TYR  11          2HB       TYR  11   0.195   7.993   6.959
   57   2HB   TYR  11          1HB       TYR  11  -1.027   6.802   7.437
   58    HD1  TYR  11           1HD      TYR  11  -1.609   6.846   4.960
   59    HD2  TYR  11           2HD      TYR  11  -2.212  10.209   7.547
   60    HE1  TYR  11           1HE      TYR  11  -3.212   7.828   3.346
   61    HE2  TYR  11           2HE      TYR  11  -3.769  11.200   5.957
   62    HH   TYR  11           HH       TYR  11  -4.017  10.659   3.009
   63    H    SER  12           H        SER  12  -2.034   7.495  10.766
   64    HA   SER  12           HA       SER  12   0.488   6.632  12.012
   65   1HB   SER  12          2HB       SER  12  -1.188   7.486  13.524
   66   2HB   SER  12          1HB       SER  12  -2.406   6.406  12.848
   67    HG   SER  12           HG       SER  12  -1.351   5.719  14.876
   68    H    SER  13           H        SER  13   1.406   4.722  11.440
   69    HA   SER  13           HA       SER  13   0.463   2.827   9.721
   70   1HB   SER  13          2HB       SER  13   1.821   1.117  11.116
   71   2HB   SER  13          1HB       SER  13   2.658   2.515  10.433
   72    HG   SER  13           HG       SER  13   3.181   2.314  12.619
   73    H    SER  14           H        SER  14  -0.601   3.298  13.024
   74    HA   SER  14           HA       SER  14  -1.857   0.790  13.436
   75   1HB   SER  14          2HB       SER  14  -1.722   3.311  14.789
   76   2HB   SER  14          1HB       SER  14  -3.428   2.889  14.652
   77    HG   SER  14           HG       SER  14  -1.339   1.476  15.903
   78    H    ASP  15           H        ASP  15  -3.285   3.872  12.275
   79    HA   ASP  15           HA       ASP  15  -5.778   2.581  11.524
   80   1HB   ASP  15          2HB       ASP  15  -4.525   5.287  11.224
   81   2HB   ASP  15          1HB       ASP  15  -5.713   4.861   9.990
   82    H    VAL  16           H        VAL  16  -2.677   3.043  10.070
   83    HA   VAL  16           HA       VAL  16  -3.468   2.573   7.348
   84    HB   VAL  16           HB       VAL  16  -0.791   1.930   8.620
   85   1HG1  VAL  16          1HG1      VAL  16  -1.579   2.688   5.805
   86   2HG1  VAL  16          2HG1      VAL  16  -1.158   1.113   6.376
   87   3HG1  VAL  16          3HG1      VAL  16   0.058   2.357   6.357
   88   1HG2  VAL  16          1HG2      VAL  16  -0.154   4.191   8.326
   89   2HG2  VAL  16          2HG2      VAL  16  -1.755   4.340   9.001
   90   3HG2  VAL  16          3HG2      VAL  16  -1.524   4.536   7.293
   91    H    SER  17           H        SER  17  -2.917   0.560  10.148
   92    HA   SER  17           HA       SER  17  -2.499  -1.934   8.832
   93   1HB   SER  17          2HB       SER  17  -2.737  -1.036  11.505
   94   2HB   SER  17          1HB       SER  17  -3.980  -2.269  11.302
   95    HG   SER  17           HG       SER  17  -1.851  -3.052  11.896
   96    H    THR  18           H        THR  18  -5.423  -0.254  10.005
   97    HA   THR  18           HA       THR  18  -7.304  -2.260   9.264
   98    HB   THR  18           HB       THR  18  -7.806   0.744   9.074
   99    HG1  THR  18           1HG      THR  18  -7.089   0.715  11.083
  100   1HG2  THR  18          1HG2      THR  18  -9.629  -0.741   8.348
  101   2HG2  THR  18          2HG2      THR  18 -10.043   0.094   9.844
  102   3HG2  THR  18          3HG2      THR  18  -9.552  -1.598   9.890
  103    H    ALA  19           H        ALA  19  -6.135   0.615   7.496
  104    HA   ALA  19           HA       ALA  19  -7.483  -0.029   5.030
  105   1HB   ALA  19          1HB       ALA  19  -6.742   2.201   5.213
  106   2HB   ALA  19          2HB       ALA  19  -5.589   1.496   4.078
  107   3HB   ALA  19          3HB       ALA  19  -5.151   1.709   5.781
  108    H    GLN  20           H        GLN  20  -4.740  -1.314   6.638
  109    HA   GLN  20           HA       GLN  20  -3.444  -2.399   4.268
  110   1HB   GLN  20          2HB       GLN  20  -2.791  -2.043   7.045
  111   2HB   GLN  20          1HB       GLN  20  -2.595  -3.730   6.679
  112   1HG   GLN  20          2HG       GLN  20  -0.531  -2.512   6.295
  113   2HG   GLN  20          1HG       GLN  20  -1.174  -3.122   4.770
  114   1HE2  GLN  20          1HE2      GLN  20   0.453  -0.589   5.617
  115   2HE2  GLN  20          2HE2      GLN  20  -0.404   0.670   4.881
  116    H    ALA  21           H        ALA  21  -5.889  -3.374   6.536
  117    HA   ALA  21           HA       ALA  21  -5.729  -6.201   5.726
  118   1HB   ALA  21          1HB       ALA  21  -7.675  -6.474   7.212
  119   2HB   ALA  21          2HB       ALA  21  -7.755  -4.725   7.438
  120   3HB   ALA  21          3HB       ALA  21  -6.362  -5.629   8.031
  121    H    ALA  22           H        ALA  22  -7.007  -3.329   4.453
  122    HA   ALA  22           HA       ALA  22  -9.399  -4.547   3.259
  123   1HB   ALA  22          1HB       ALA  22  -9.438  -2.180   3.868
  124   2HB   ALA  22          2HB       ALA  22  -9.601  -2.354   2.124
  125   3HB   ALA  22          3HB       ALA  22  -8.059  -1.858   2.821
  126    H    GLY  23           H        GLY  23  -6.472  -2.944   1.870
  127   1HA   GLY  23          2HA       GLY  23  -6.729  -3.966  -0.734
  128   2HA   GLY  23          1HA       GLY  23  -5.182  -3.614   0.034
  129    H    TYR  24           H        TYR  24  -5.608  -5.537   2.215
  130    HA   TYR  24           HA       TYR  24  -4.531  -7.858   0.865
  131   1HB   TYR  24          2HB       TYR  24  -3.713  -7.453   3.074
  132   2HB   TYR  24          1HB       TYR  24  -5.351  -7.275   3.726
  133    HD1  TYR  24           1HD      TYR  24  -5.323  -8.992   5.382
  134    HD2  TYR  24           2HD      TYR  24  -4.205  -9.888   1.328
  135    HE1  TYR  24           1HE      TYR  24  -5.372 -11.417   5.898
  136    HE2  TYR  24           2HE      TYR  24  -4.261 -12.298   1.838
  137    HH   TYR  24           HH       TYR  24  -3.973 -13.651   4.471
  138    H    GLN  25           H        GLN  25  -7.500  -7.340   2.808
  139    HA   GLN  25           HA       GLN  25  -8.714  -9.823   2.298
  140   1HB   GLN  25          2HB       GLN  25  -9.560  -8.057   3.863
  141   2HB   GLN  25          1HB       GLN  25 -10.149  -7.132   2.485
  142   1HG   GLN  25          2HG       GLN  25 -11.191  -9.675   2.045
  143   2HG   GLN  25          1HG       GLN  25 -11.263  -9.507   3.794
  144   1HE2  GLN  25          1HE2      GLN  25 -12.963  -8.297   4.608
  145   2HE2  GLN  25          2HE2      GLN  25 -13.961  -7.271   3.641
  146    H    LEU  26           H        LEU  26  -9.613  -6.794   0.594
  147    HA   LEU  26           HA       LEU  26 -11.046  -7.880  -1.473
  148   1HB   LEU  26          2HB       LEU  26  -9.954  -5.375  -0.929
  149   2HB   LEU  26          1HB       LEU  26  -9.127  -5.822  -2.418
  150    HG   LEU  26           HG       LEU  26 -11.250  -6.181  -3.556
  151   1HD1  LEU  26          1HD1      LEU  26 -13.361  -5.510  -2.248
  152   2HD1  LEU  26          2HD1      LEU  26 -12.389  -5.718  -0.794
  153   3HD1  LEU  26          3HD1      LEU  26 -12.670  -7.077  -1.875
  154   1HD2  LEU  26          1HD2      LEU  26 -12.131  -3.887  -3.488
  155   2HD2  LEU  26          2HD2      LEU  26 -10.369  -3.878  -3.477
  156   3HD2  LEU  26          3HD2      LEU  26 -11.260  -3.588  -1.982
  157    H    HIS  27           H        HIS  27  -7.525  -7.823  -1.191
  158    HA   HIS  27           HA       HIS  27  -6.943  -8.732  -3.818
  159   1HB   HIS  27          2HB       HIS  27  -5.130  -7.946  -2.429
  160   2HB   HIS  27          1HB       HIS  27  -5.457  -9.168  -1.210
  161    HD1  HIS  27           1HD      HIS  27  -5.451  -9.921  -4.898
  162    HD2  HIS  27           2HD      HIS  27  -3.053 -10.565  -1.545
  163    HE1  HIS  27           1HE      HIS  27  -3.687 -11.579  -5.595
  164    HE2  HIS  27           2HE      HIS  27  -2.534 -12.245  -3.460
  165    H    GLU  28           H        GLU  28  -7.295 -10.633  -0.802
  166    HA   GLU  28           HA       GLU  28  -7.317 -13.136  -2.369
  167   1HB   GLU  28          2HB       GLU  28  -6.532 -12.467   0.226
  168   2HB   GLU  28          1HB       GLU  28  -8.056 -13.328   0.481
  169   1HG   GLU  28          2HG       GLU  28  -7.065 -15.079  -1.191
  170   2HG   GLU  28          1HG       GLU  28  -5.519 -14.291  -0.824
  171    H    ASP  29           H        ASP  29  -9.623 -10.874  -1.984
  172    HA   ASP  29           HA       ASP  29 -11.811 -12.766  -1.360
  173   1HB   ASP  29          2HB       ASP  29 -11.397  -9.924  -0.988
  174   2HB   ASP  29          1HB       ASP  29 -12.839 -10.173  -1.957
  175    H    GLY  30           H        GLY  30 -10.210 -11.312  -4.051
  176   1HA   GLY  30          2HA       GLY  30 -10.592 -11.829  -6.314
  177   2HA   GLY  30          1HA       GLY  30 -12.104 -12.626  -5.882
  178    H    GLU  31           H        GLU  31 -12.449  -9.870  -4.238
  179    HA   GLU  31           HA       GLU  31 -14.037  -8.643  -6.358
  180   1HB   GLU  31          2HB       GLU  31 -15.062  -8.764  -4.171
  181   2HB   GLU  31          1HB       GLU  31 -13.648  -8.038  -3.419
  182   1HG   GLU  31          2HG       GLU  31 -15.387  -6.391  -3.587
  183   2HG   GLU  31          1HG       GLU  31 -14.107  -5.909  -4.671
  184    H    THR  32           H        THR  32 -13.828  -6.239  -6.706
  185    HA   THR  32           HA       THR  32 -11.026  -5.294  -6.353
  186    HB   THR  32           HB       THR  32 -11.904  -4.108  -8.716
  187    HG1  THR  32           1HG      THR  32 -13.013  -5.610  -9.850
  188   1HG2  THR  32          1HG2      THR  32  -9.710  -5.292  -8.103
  189   2HG2  THR  32          2HG2      THR  32 -10.293  -5.459  -9.763
  190   3HG2  THR  32          3HG2      THR  32 -10.504  -6.767  -8.628
  191    H    VAL  33           H        VAL  33 -10.933  -2.870  -6.809
  192    HA   VAL  33           HA       VAL  33 -12.920  -1.579  -5.064
  193    HB   VAL  33           HB       VAL  33 -11.519   0.426  -5.397
  194   1HG1  VAL  33          1HG1      VAL  33  -9.418  -0.501  -4.445
  195   2HG1  VAL  33          2HG1      VAL  33  -9.920  -2.111  -4.935
  196   3HG1  VAL  33          3HG1      VAL  33 -10.837  -1.237  -3.710
  197   1HG2  VAL  33          1HG2      VAL  33 -10.965   0.006  -7.792
  198   2HG2  VAL  33          2HG2      VAL  33  -9.917  -1.295  -7.290
  199   3HG2  VAL  33          3HG2      VAL  33  -9.558   0.344  -6.829
  200    H    GLY  34           H        GLY  34 -13.957   0.529  -5.833
  201   1HA   GLY  34          2HA       GLY  34 -15.624   0.111  -8.061
  202   2HA   GLY  34          1HA       GLY  34 -15.293   1.699  -7.363
  203    H    SER  35           H        SER  35 -12.373   1.461  -7.887
  204    HA   SER  35           HA       SER  35 -12.391   2.541 -10.571
  205   1HB   SER  35          2HB       SER  35 -10.764   2.919  -8.476
  206   2HB   SER  35          1HB       SER  35  -9.809   1.698  -9.277
  207    HG   SER  35           HG       SER  35  -9.284   3.787 -10.035
  208    H    ASN  36           H        ASN  36  -9.697   1.175 -11.192
  209    HA   ASN  36           HA       ASN  36 -10.918  -1.277 -12.371
  210   1HB   ASN  36          2HB       ASN  36  -8.744   0.623 -13.170
  211   2HB   ASN  36          1HB       ASN  36  -8.533  -1.067 -13.637
  212   1HD2  ASN  36          1HD2      ASN  36 -10.356  -2.081 -14.859
  213   2HD2  ASN  36          2HD2      ASN  36 -11.298  -1.051 -15.878
  214    H    SER  37           H        SER  37 -10.563  -1.908  -9.865
  215    HA   SER  37           HA       SER  37  -9.484  -3.475  -8.539
  216   1HB   SER  37          2HB       SER  37  -8.983  -4.524 -10.883
  217   2HB   SER  37          1HB       SER  37  -7.381  -3.824 -10.694
  218    HG   SER  37           HG       SER  37  -7.620  -6.019  -9.899
  219    H    TYR  38           H        TYR  38  -6.834  -3.965  -8.014
  220    HA   TYR  38           HA       TYR  38  -4.988  -1.988  -8.152
  221   1HB   TYR  38          2HB       TYR  38  -7.213  -1.010  -6.549
  222   2HB   TYR  38          1HB       TYR  38  -5.738  -1.052  -5.601
  223    HD1  TYR  38           1HD      TYR  38  -7.495   1.021  -7.675
  224    HD2  TYR  38           2HD      TYR  38  -3.535  -0.477  -7.096
  225    HE1  TYR  38           1HE      TYR  38  -6.582   3.013  -8.847
  226    HE2  TYR  38           2HE      TYR  38  -2.606   1.499  -8.267
  227    HH   TYR  38           HH       TYR  38  -3.894   3.284 -10.213
  228    HA   PRO  39           HA       PRO  39  -4.124  -4.387  -4.113
  229   1HB   PRO  39          2HB       PRO  39  -5.895  -6.372  -3.463
  230   2HB   PRO  39          1HB       PRO  39  -5.970  -4.728  -2.850
  231   1HG   PRO  39          2HG       PRO  39  -7.681  -6.043  -4.916
  232   2HG   PRO  39          1HG       PRO  39  -8.072  -4.707  -3.823
  233   1HD   PRO  39          2HD       PRO  39  -7.419  -4.503  -6.527
  234   2HD   PRO  39          1HD       PRO  39  -7.487  -3.144  -5.399
  235    H    HIS  40           H        HIS  40  -2.450  -5.266  -5.324
  236    HA   HIS  40           HA       HIS  40  -2.771  -8.125  -6.058
  237   1HB   HIS  40          2HB       HIS  40  -1.096  -6.908  -8.084
  238   2HB   HIS  40          1HB       HIS  40  -2.593  -7.826  -8.284
  239    HD1  HIS  40           1HD      HIS  40  -4.769  -6.550  -8.560
  240    HD2  HIS  40           2HD      HIS  40  -1.453  -4.100  -8.172
  241    HE1  HIS  40           1HE      HIS  40  -5.474  -4.267  -9.315
  242    HE2  HIS  40           2HE      HIS  40  -3.427  -2.828  -9.259
  243    H    LYS  41           H        LYS  41  -0.426  -8.939  -6.744
  244    HA   LYS  41           HA       LYS  41   1.222  -8.612  -4.476
  245   1HB   LYS  41          2HB       LYS  41   2.784 -10.012  -5.532
  246   2HB   LYS  41          1HB       LYS  41   1.239 -10.491  -6.250
  247   1HG   LYS  41          2HG       LYS  41   1.678  -8.971  -8.169
  248   2HG   LYS  41          1HG       LYS  41   3.241  -8.563  -7.463
  249   1HD   LYS  41          2HD       LYS  41   3.944 -10.220  -8.835
  250   2HD   LYS  41          1HD       LYS  41   3.568 -11.199  -7.414
  251   1HE   LYS  41          2HE       LYS  41   1.925 -12.282  -8.487
  252   2HE   LYS  41          1HE       LYS  41   1.192 -10.789  -9.083
  253   1HZ   LYS  41          1HZ       LYS  41   3.531 -12.184 -10.288
  254   2HZ   LYS  41          2HZ       LYS  41   2.865 -10.730 -10.849
  255   3HZ   LYS  41          3HZ       LYS  41   1.957 -12.154 -10.904
  256    H    TYR  42           H        TYR  42   3.452  -7.698  -4.414
  257    HA   TYR  42           HA       TYR  42   3.816  -5.352  -6.222
  258   1HB   TYR  42          2HB       TYR  42   2.904  -4.375  -4.279
  259   2HB   TYR  42          1HB       TYR  42   3.801  -5.388  -3.204
  260    HD1  TYR  42           1HD      TYR  42   5.891  -4.624  -2.366
  261    HD2  TYR  42           2HD      TYR  42   4.162  -2.761  -5.807
  262    HE1  TYR  42           1HE      TYR  42   7.641  -2.905  -2.271
  263    HE2  TYR  42           2HE      TYR  42   5.904  -1.032  -5.690
  264    HH   TYR  42           HH       TYR  42   8.634  -1.158  -4.455
  265    H    ASN  43           H        ASN  43   5.260  -7.229  -7.066
  266    HA   ASN  43           HA       ASN  43   7.713  -7.675  -5.486
  267   1HB   ASN  43          2HB       ASN  43   7.075  -8.526  -8.337
  268   2HB   ASN  43          1HB       ASN  43   8.366  -9.156  -7.302
  269   1HD2  ASN  43          1HD2      ASN  43   7.541 -11.314  -7.241
  270   2HD2  ASN  43          2HD2      ASN  43   6.059 -11.687  -6.435
  271    H    ASN  44           H        ASN  44   7.801  -5.106  -5.668
  272    HA   ASN  44           HA       ASN  44   9.003  -4.204  -8.217
  273   1HB   ASN  44          2HB       ASN  44   7.876  -2.962  -5.803
  274   2HB   ASN  44          1HB       ASN  44   9.180  -2.050  -6.526
  275   1HD2  ASN  44          1HD2      ASN  44   8.957  -1.621  -8.915
  276   2HD2  ASN  44          2HD2      ASN  44   7.364  -1.418  -9.543
  277    H    TYR  45           H        TYR  45  10.055  -3.393  -4.893
  278    HA   TYR  45           HA       TYR  45  12.148  -3.665  -3.895
  279   1HB   TYR  45          2HB       TYR  45  13.202  -4.994  -6.422
  280   2HB   TYR  45          1HB       TYR  45  13.730  -5.193  -4.752
  281    HD1  TYR  45           1HD      TYR  45  12.630  -7.252  -6.950
  282    HD2  TYR  45           2HD      TYR  45  11.054  -5.424  -3.390
  283    HE1  TYR  45           1HE      TYR  45  11.101  -9.179  -6.630
  284    HE2  TYR  45           2HE      TYR  45   9.541  -7.336  -3.083
  285    HH   TYR  45           HH       TYR  45   9.828 -10.162  -4.197
  286    H    GLU  46           H        GLU  46  11.229  -1.485  -5.675
  287    HA   GLU  46           HA       GLU  46  12.899  -0.413  -7.490
  288   1HB   GLU  46          2HB       GLU  46  10.956   0.577  -5.789
  289   2HB   GLU  46          1HB       GLU  46  12.356   1.493  -5.284
  290   1HG   GLU  46          2HG       GLU  46  12.265   1.346  -8.173
  291   2HG   GLU  46          1HG       GLU  46  10.739   1.932  -7.508
  292    H    GLY  47           H        GLY  47  13.496   0.459  -4.063
  293   1HA   GLY  47          2HA       GLY  47  16.349  -0.170  -4.335
  294   2HA   GLY  47          1HA       GLY  47  15.965   1.546  -4.173
  295    H    PHE  48           H        PHE  48  14.393  -1.272  -2.629
  296    HA   PHE  48           HA       PHE  48  15.431  -0.308   0.005
  297   1HB   PHE  48          2HB       PHE  48  12.623  -1.242   0.048
  298   2HB   PHE  48          1HB       PHE  48  13.370   0.128   0.878
  299    HD1  PHE  48           1HD      PHE  48  11.573  -0.998  -2.095
  300    HD2  PHE  48           2HD      PHE  48  13.640   2.301  -0.276
  301    HE1  PHE  48           1HE      PHE  48  10.558   0.548  -3.741
  302    HE2  PHE  48           2HE      PHE  48  12.632   3.846  -1.934
  303    HZ   PHE  48           HZ       PHE  48  11.113   2.961  -3.676
  304    H    ASP  49           H        ASP  49  14.922  -1.973   1.737
  305    HA   ASP  49           HA       ASP  49  15.184  -4.725   0.554
  306   1HB   ASP  49          2HB       ASP  49  16.225  -3.570   3.168
  307   2HB   ASP  49          1HB       ASP  49  16.340  -5.278   2.714
  308    H    PHE  50           H        PHE  50  13.554  -2.707   2.961
  309    HA   PHE  50           HA       PHE  50  11.674  -3.123   4.264
  310   1HB   PHE  50          2HB       PHE  50  11.238  -5.000   1.905
  311   2HB   PHE  50          1HB       PHE  50  10.046  -4.802   3.199
  312    HD1  PHE  50           1HD      PHE  50  11.841  -1.752   2.712
  313    HD2  PHE  50           2HD      PHE  50   8.668  -4.118   1.091
  314    HE1  PHE  50           1HE      PHE  50  10.966   0.189   1.566
  315    HE2  PHE  50           2HE      PHE  50   7.740  -2.133  -0.021
  316    HZ   PHE  50           HZ       PHE  50   8.883   0.051   0.228
  317    H    SER  51           H        SER  51  10.396  -5.101   5.309
  318    HA   SER  51           HA       SER  51  12.229  -7.375   5.864
  319   1HB   SER  51          2HB       SER  51  11.563  -5.174   7.765
  320   2HB   SER  51          1HB       SER  51  11.456  -6.803   8.430
  321    HG   SER  51           HG       SER  51  13.567  -7.144   8.004
  322    H    VAL  52           H        VAL  52   9.726  -7.215   4.441
  323    HA   VAL  52           HA       VAL  52   7.864  -8.581   6.364
  324    HB   VAL  52           HB       VAL  52   7.392  -7.078   3.802
  325   1HG1  VAL  52          1HG1      VAL  52   5.896  -8.852   3.512
  326   2HG1  VAL  52          2HG1      VAL  52   4.917  -7.714   4.406
  327   3HG1  VAL  52          3HG1      VAL  52   5.664  -9.073   5.243
  328   1HG2  VAL  52          1HG2      VAL  52   6.502  -6.745   6.662
  329   2HG2  VAL  52          2HG2      VAL  52   5.782  -5.884   5.321
  330   3HG2  VAL  52          3HG2      VAL  52   7.483  -5.636   5.703
  331    H    SER  53           H        SER  53   7.948  -8.767   2.802
  332    HA   SER  53           HA       SER  53   9.076 -11.447   2.818
  333   1HB   SER  53          2HB       SER  53   6.611 -11.644   3.636
  334   2HB   SER  53          1HB       SER  53   6.171 -11.287   1.963
  335    HG   SER  53           HG       SER  53   6.439 -13.570   2.487
  336    H    SER  54           H        SER  54   9.372 -12.248   0.652
  337    HA   SER  54           HA       SER  54   9.974 -10.300  -1.301
  338   1HB   SER  54          2HB       SER  54   9.186 -12.940  -2.422
  339   2HB   SER  54          1HB       SER  54  10.698 -12.054  -2.517
  340    HG   SER  54           HG       SER  54  11.039 -13.869  -1.275
  341    HA   PRO  55           HA       PRO  55   5.802 -11.337  -3.416
  342   1HB   PRO  55          2HB       PRO  55   4.006 -12.847  -2.004
  343   2HB   PRO  55          1HB       PRO  55   5.231 -13.517  -3.076
  344   1HG   PRO  55          2HG       PRO  55   5.185 -13.476  -0.085
  345   2HG   PRO  55          1HG       PRO  55   5.946 -14.646  -1.176
  346   1HD   PRO  55          2HD       PRO  55   7.227 -12.584   0.188
  347   2HD   PRO  55          1HD       PRO  55   7.917 -13.532  -1.098
  348    H    TYR  56           H        TYR  56   5.776  -9.070  -2.791
  349    HA   TYR  56           HA       TYR  56   4.264  -8.271  -0.398
  350   1HB   TYR  56          2HB       TYR  56   5.493  -6.799  -2.721
  351   2HB   TYR  56          1HB       TYR  56   4.521  -5.951  -1.548
  352    HD1  TYR  56           1HD      TYR  56   7.736  -7.333  -2.254
  353    HD2  TYR  56           2HD      TYR  56   5.121  -6.077   0.882
  354    HE1  TYR  56           1HE      TYR  56   9.679  -7.135  -0.721
  355    HE2  TYR  56           2HE      TYR  56   7.055  -5.874   2.417
  356    HH   TYR  56           HH       TYR  56   9.735  -7.226   2.210
  357    H    TYR  57           H        TYR  57   2.696  -6.235  -1.201
  358    HA   TYR  57           HA       TYR  57   0.995  -6.985  -3.410
  359   1HB   TYR  57          2HB       TYR  57   0.109  -7.227  -0.568
  360   2HB   TYR  57          1HB       TYR  57  -1.065  -7.058  -1.890
  361    HD1  TYR  57           1HD      TYR  57   1.081  -9.288  -0.073
  362    HD2  TYR  57           2HD      TYR  57  -1.003  -8.773  -3.746
  363    HE1  TYR  57           1HE      TYR  57   1.256 -11.730  -0.491
  364    HE2  TYR  57           2HE      TYR  57  -0.790 -11.189  -4.230
  365    HH   TYR  57           HH       TYR  57   1.183 -13.166  -3.032
  366    H    GLU  58           H        GLU  58   0.926  -5.016  -4.334
  367    HA   GLU  58           HA       GLU  58   1.144  -2.588  -2.755
  368   1HB   GLU  58          2HB       GLU  58   0.738  -1.456  -4.977
  369   2HB   GLU  58          1HB       GLU  58   2.109  -2.554  -4.941
  370   1HG   GLU  58          2HG       GLU  58   1.228  -3.858  -6.518
  371   2HG   GLU  58          1HG       GLU  58  -0.303  -4.023  -5.654
  372    H    TRP  59           H        TRP  59  -0.409  -1.174  -2.139
  373    HA   TRP  59           HA       TRP  59  -3.120  -1.272  -3.204
  374   1HB   TRP  59          2HB       TRP  59  -3.432  -3.073  -1.650
  375   2HB   TRP  59          1HB       TRP  59  -2.464  -2.239  -0.432
  376    HD1  TRP  59           HD       TRP  59  -3.651  -0.659   1.190
  377    HE1  TRP  59           1HE      TRP  59  -6.081   0.108   1.514
  378    HE3  TRP  59           3HE      TRP  59  -5.735  -2.538  -3.092
  379    HZ2  TRP  59           2HZ      TRP  59  -8.590  -0.060   0.119
  380    HZ3  TRP  59           3HZ      TRP  59  -8.142  -2.224  -3.544
  381    HH2  TRP  59           HH       TRP  59  -9.573  -0.992  -1.959
  382    HA   PRO  60           HA       PRO  60  -2.447   2.965  -1.993
  383   1HB   PRO  60          2HB       PRO  60  -5.040   3.851  -2.260
  384   2HB   PRO  60          1HB       PRO  60  -3.925   3.586  -3.598
  385   1HG   PRO  60          2HG       PRO  60  -6.137   1.812  -2.639
  386   2HG   PRO  60          1HG       PRO  60  -5.634   2.120  -4.306
  387   1HD   PRO  60          2HD       PRO  60  -4.988  -0.119  -2.879
  388   2HD   PRO  60          1HD       PRO  60  -3.999   0.477  -4.176
  389    H    ILE  61           H        ILE  61  -2.814   4.323  -0.176
  390    HA   ILE  61           HA       ILE  61  -4.345   3.018   2.043
  391    HB   ILE  61           HB       ILE  61  -2.042   2.805   2.601
  392   1HG1  ILE  61          2HG1      ILE  61  -1.833   4.216   4.572
  393   2HG1  ILE  61          1HG1      ILE  61  -2.997   5.377   3.945
  394   1HG2  ILE  61          1HG2      ILE  61  -1.055   4.269   0.964
  395   2HG2  ILE  61          2HG2      ILE  61  -0.511   4.800   2.535
  396   3HG2  ILE  61          3HG2      ILE  61  -1.770   5.694   1.699
  397   1HD1  ILE  61          1HD1      ILE  61  -3.491   2.529   4.762
  398   2HD1  ILE  61          2HD1      ILE  61  -4.699   3.466   3.948
  399   3HD1  ILE  61          3HD1      ILE  61  -4.139   3.970   5.510
  400    H    LEU  62           H        LEU  62  -5.746   4.352   3.180
  401    HA   LEU  62           HA       LEU  62  -5.700   7.271   2.528
  402   1HB   LEU  62          2HB       LEU  62  -8.262   5.922   3.307
  403   2HB   LEU  62          1HB       LEU  62  -7.971   7.278   2.207
  404    HG   LEU  62           HG       LEU  62  -7.491   4.333   1.642
  405   1HD1  LEU  62          1HD1      LEU  62  -9.800   5.058   1.377
  406   2HD1  LEU  62          2HD1      LEU  62  -9.076   4.799  -0.208
  407   3HD1  LEU  62          3HD1      LEU  62  -9.288   6.437   0.402
  408   1HD2  LEU  62          1HD2      LEU  62  -5.877   4.978   0.217
  409   2HD2  LEU  62          2HD2      LEU  62  -6.151   6.696   0.534
  410   3HD2  LEU  62          3HD2      LEU  62  -7.080   5.859  -0.675
  411    H    SER  63           H        SER  63  -7.356   8.298   4.328
  412    HA   SER  63           HA       SER  63  -6.770   7.099   6.986
  413   1HB   SER  63          2HB       SER  63  -5.940   9.369   7.783
  414   2HB   SER  63          1HB       SER  63  -4.865   8.512   6.684
  415    HG   SER  63           HG       SER  63  -6.518  10.743   6.169
  416    H    SER  64           H        SER  64  -9.234   7.060   5.987
  417    HA   SER  64           HA       SER  64 -10.693   8.781   7.826
  418   1HB   SER  64          2HB       SER  64 -10.265   9.707   5.103
  419   2HB   SER  64          1HB       SER  64 -11.986   9.462   5.378
  420    HG   SER  64           HG       SER  64 -10.201  11.166   6.725
  421    H    GLY  65           H        GLY  65 -10.414   5.907   7.143
  422   1HA   GLY  65          2HA       GLY  65 -11.754   4.037   6.737
  423   2HA   GLY  65          1HA       GLY  65 -12.999   4.996   7.538
  424    H    ASP  66           H        ASP  66 -11.689   4.049   4.434
  425    HA   ASP  66           HA       ASP  66 -14.289   4.523   3.185
  426   1HB   ASP  66          2HB       ASP  66 -12.450   6.666   3.161
  427   2HB   ASP  66          1HB       ASP  66 -12.295   5.946   1.557
  428    H    VAL  67           H        VAL  67 -10.851   3.675   2.770
  429    HA   VAL  67           HA       VAL  67  -9.935   1.909   1.581
  430    HB   VAL  67           HB       VAL  67 -12.746   1.141   0.696
  431   1HG1  VAL  67          1HG1      VAL  67 -10.804  -0.005  -0.353
  432   2HG1  VAL  67          2HG1      VAL  67 -11.804  -1.085   0.616
  433   3HG1  VAL  67          3HG1      VAL  67 -10.271  -0.497   1.256
  434   1HG2  VAL  67          1HG2      VAL  67 -13.114   1.190   2.985
  435   2HG2  VAL  67          2HG2      VAL  67 -11.421   0.904   3.384
  436   3HG2  VAL  67          3HG2      VAL  67 -12.435  -0.418   2.816
  437    H    TYR  68           H        TYR  68  -9.114   1.859  -0.545
  438    HA   TYR  68           HA       TYR  68  -9.787   4.047  -2.256
  439   1HB   TYR  68          2HB       TYR  68  -7.573   3.010  -2.270
  440   2HB   TYR  68          1HB       TYR  68  -8.245   1.508  -2.939
  441    HD1  TYR  68           1HD      TYR  68  -7.460   5.050  -3.615
  442    HD2  TYR  68           2HD      TYR  68  -9.002   1.397  -5.238
  443    HE1  TYR  68           1HE      TYR  68  -7.354   5.981  -5.891
  444    HE2  TYR  68           2HE      TYR  68  -8.850   2.346  -7.515
  445    HH   TYR  68           HH       TYR  68  -8.786   5.215  -8.353
  446    H    SER  69           H        SER  69 -11.784   4.136  -3.201
  447    HA   SER  69           HA       SER  69 -12.724   1.707  -4.679
  448   1HB   SER  69          2HB       SER  69 -14.160   3.565  -2.841
  449   2HB   SER  69          1HB       SER  69 -15.048   3.001  -4.258
  450    HG   SER  69           HG       SER  69 -15.354   1.537  -2.609
  451    H    GLY  70           H        GLY  70 -11.019   3.969  -5.588
  452   1HA   GLY  70          2HA       GLY  70 -11.079   4.744  -7.897
  453   2HA   GLY  70          1HA       GLY  70 -12.820   4.960  -7.776
  454    H    GLY  71           H        GLY  71  -9.722   6.196  -6.576
  455   1HA   GLY  71          2HA       GLY  71 -10.764   8.928  -6.635
  456   2HA   GLY  71          1HA       GLY  71 -10.406   8.327  -5.013
  457    H    SER  72           H        SER  72  -8.230   8.128  -4.377
  458    HA   SER  72           HA       SER  72  -6.211   9.026  -6.409
  459   1HB   SER  72          2HB       SER  72  -5.003  10.082  -4.500
  460   2HB   SER  72          1HB       SER  72  -6.587  10.797  -4.821
  461    HG   SER  72           HG       SER  72  -6.070  10.235  -2.550
  462    HA   PRO  73           HA       PRO  73  -4.765   4.948  -4.900
  463   1HB   PRO  73          2HB       PRO  73  -3.718   4.215  -7.287
  464   2HB   PRO  73          1HB       PRO  73  -5.402   3.986  -6.837
  465   1HG   PRO  73          2HG       PRO  73  -4.231   5.978  -8.741
  466   2HG   PRO  73          1HG       PRO  73  -5.850   5.293  -8.735
  467   1HD   PRO  73          2HD       PRO  73  -5.103   7.847  -7.761
  468   2HD   PRO  73          1HD       PRO  73  -6.666   7.051  -7.510
  469    H    GLY  74           H        GLY  74  -2.838   6.664  -7.417
  470   1HA   GLY  74          2HA       GLY  74  -0.321   5.966  -6.331
  471   2HA   GLY  74          1HA       GLY  74  -0.616   7.309  -7.426
  472    H    ALA  75           H        ALA  75   0.702   8.813  -6.306
  473    HA   ALA  75           HA       ALA  75   1.155  10.462  -4.755
  474   1HB   ALA  75          1HB       ALA  75  -1.634   9.785  -3.739
  475   2HB   ALA  75          2HB       ALA  75  -1.232  10.960  -4.966
  476   3HB   ALA  75          3HB       ALA  75  -0.689  11.201  -3.314
  477    H    ASP  76           H        ASP  76  -0.880   8.572  -2.509
  478    HA   ASP  76           HA       ASP  76   1.619   7.765  -1.078
  479   1HB   ASP  76          2HB       ASP  76  -1.019   8.532   0.222
  480   2HB   ASP  76          1HB       ASP  76   0.530   8.208   1.017
  481    H    ARG  77           H        ARG  77   1.665   5.627  -1.685
  482    HA   ARG  77           HA       ARG  77  -0.795   3.995  -1.110
  483   1HB   ARG  77          2HB       ARG  77   0.363   2.327  -2.734
  484   2HB   ARG  77          1HB       ARG  77  -0.439   3.741  -3.417
  485   1HG   ARG  77          2HG       ARG  77   1.474   4.719  -4.104
  486   2HG   ARG  77          1HG       ARG  77   2.391   4.204  -2.692
  487   1HD   ARG  77          2HD       ARG  77   3.366   2.928  -4.282
  488   2HD   ARG  77          1HD       ARG  77   2.138   1.796  -3.750
  489    HE   ARG  77           HE       ARG  77   2.075   3.484  -6.124
  490   1HH1  ARG  77          1HH1      ARG  77   1.101   0.360  -5.609
  491   2HH1  ARG  77          2HH1      ARG  77  -0.579   0.616  -5.941
  492   1HH2  ARG  77          1HH2      ARG  77  -0.266   4.072  -6.079
  493   2HH2  ARG  77          2HH2      ARG  77  -1.355   2.742  -6.218
  494    H    VAL  78           H        VAL  78  -0.412   1.942  -0.047
  495    HA   VAL  78           HA       VAL  78   2.285   1.809   1.260
  496    HB   VAL  78           HB       VAL  78   0.105   2.337   2.653
  497   1HG1  VAL  78          1HG1      VAL  78  -0.102  -0.655   2.851
  498   2HG1  VAL  78          2HG1      VAL  78  -0.916   0.152   1.519
  499   3HG1  VAL  78          3HG1      VAL  78  -1.296   0.619   3.136
  500   1HG2  VAL  78          1HG2      VAL  78   1.249   1.616   4.504
  501   2HG2  VAL  78          2HG2      VAL  78   2.530   1.546   3.343
  502   3HG2  VAL  78          3HG2      VAL  78   1.708   0.072   3.802
  503    H    VAL  79           H        VAL  79   2.329  -0.691   2.270
  504    HA   VAL  79           HA       VAL  79   1.441  -2.587   0.187
  505    HB   VAL  79           HB       VAL  79   4.309  -1.887   0.844
  506   1HG1  VAL  79          1HG1      VAL  79   4.025  -4.364   1.221
  507   2HG1  VAL  79          2HG1      VAL  79   5.051  -3.975  -0.125
  508   3HG1  VAL  79          3HG1      VAL  79   3.402  -4.492  -0.404
  509   1HG2  VAL  79          1HG2      VAL  79   4.536  -2.053  -1.598
  510   2HG2  VAL  79          2HG2      VAL  79   3.300  -0.900  -1.154
  511   3HG2  VAL  79          3HG2      VAL  79   2.842  -2.499  -1.728
  512    H    PHE  80           H        PHE  80   1.915  -4.823   0.830
  513    HA   PHE  80           HA       PHE  80   2.558  -5.388   3.590
  514   1HB   PHE  80          2HB       PHE  80   0.212  -6.302   4.056
  515   2HB   PHE  80          1HB       PHE  80   0.362  -4.546   4.020
  516    HD1  PHE  80           1HD      PHE  80  -0.283  -7.391   1.646
  517    HD2  PHE  80           2HD      PHE  80  -1.221  -3.366   2.806
  518    HE1  PHE  80           1HE      PHE  80  -2.043  -7.303  -0.081
  519    HE2  PHE  80           2HE      PHE  80  -2.986  -3.289   1.090
  520    HZ   PHE  80           HZ       PHE  80  -3.358  -5.236  -0.404
  521    H    ASN  81           H        ASN  81   1.622  -7.887   3.918
  522    HA   ASN  81           HA       ASN  81   2.393  -9.286   1.377
  523   1HB   ASN  81          2HB       ASN  81   4.133  -9.647   2.906
  524   2HB   ASN  81          1HB       ASN  81   3.044  -9.917   4.264
  525   1HD2  ASN  81          1HD2      ASN  81   4.227 -12.031   4.483
  526   2HD2  ASN  81          2HD2      ASN  81   3.762 -13.333   3.458
  527    H    GLU  82           H        GLU  82   1.111 -10.575   4.409
  528    HA   GLU  82           HA       GLU  82  -1.544 -11.025   3.257
  529   1HB   GLU  82          2HB       GLU  82  -1.344 -13.546   3.523
  530   2HB   GLU  82          1HB       GLU  82  -0.401 -12.862   2.209
  531   1HG   GLU  82          2HG       GLU  82   1.317 -14.036   3.099
  532   2HG   GLU  82          1HG       GLU  82   1.437 -12.674   4.198
  533    H    ASN  83           H        ASN  83  -0.026  -9.944   5.713
  534    HA   ASN  83           HA       ASN  83  -1.958 -11.004   7.664
  535   1HB   ASN  83          2HB       ASN  83   0.779 -11.907   7.586
  536   2HB   ASN  83          1HB       ASN  83   0.604 -10.886   9.013
  537   1HD2  ASN  83          1HD2      ASN  83  -0.631 -13.801   7.432
  538   2HD2  ASN  83          2HD2      ASN  83  -1.369 -14.431   8.857
  539    H    ASN  84           H        ASN  84  -1.058  -8.431   6.185
  540    HA   ASN  84           HA       ASN  84  -1.094  -6.196   6.670
  541   1HB   ASN  84          2HB       ASN  84  -2.560  -5.627   8.295
  542   2HB   ASN  84          1HB       ASN  84  -2.740  -7.347   8.610
  543   1HD2  ASN  84          1HD2      ASN  84  -2.745  -4.880  10.437
  544   2HD2  ASN  84          2HD2      ASN  84  -1.613  -5.306  11.671
  545    H    GLN  85           H        GLN  85   1.247  -8.132   7.362
  546    HA   GLN  85           HA       GLN  85   2.780  -7.112   9.489
  547   1HB   GLN  85          2HB       GLN  85   4.228  -7.721   6.922
  548   2HB   GLN  85          1HB       GLN  85   4.586  -8.229   8.578
  549   1HG   GLN  85          2HG       GLN  85   2.223  -9.530   8.197
  550   2HG   GLN  85          1HG       GLN  85   2.833  -9.470   6.529
  551   1HE2  GLN  85          1HE2      GLN  85   3.678 -11.528   6.232
  552   2HE2  GLN  85          2HE2      GLN  85   4.799 -12.279   7.305
  553    H    LEU  86           H        LEU  86   2.017  -5.792   6.350
  554    HA   LEU  86           HA       LEU  86   2.297  -3.700   5.487
  555   1HB   LEU  86          2HB       LEU  86   1.633  -2.697   7.492
  556   2HB   LEU  86          1HB       LEU  86   3.086  -3.139   8.350
  557    HG   LEU  86           HG       LEU  86   3.650  -1.493   5.951
  558   1HD1  LEU  86          1HD1      LEU  86   1.390  -0.710   7.377
  559   2HD1  LEU  86          2HD1      LEU  86   2.391   0.280   6.328
  560   3HD1  LEU  86          3HD1      LEU  86   2.691   0.250   8.058
  561   1HD2  LEU  86          1HD2      LEU  86   5.469  -1.743   7.362
  562   2HD2  LEU  86          2HD2      LEU  86   4.500  -1.708   8.831
  563   3HD2  LEU  86          3HD2      LEU  86   4.815  -0.232   7.946
  564    H    ALA  87           H        ALA  87   3.863  -3.517   3.982
  565    HA   ALA  87           HA       ALA  87   6.641  -4.265   4.494
  566   1HB   ALA  87          1HB       ALA  87   6.969  -3.862   2.186
  567   2HB   ALA  87          2HB       ALA  87   5.540  -2.890   2.073
  568   3HB   ALA  87          3HB       ALA  87   5.403  -4.614   2.346
  569    H    GLY  88           H        GLY  88   4.762  -1.331   4.105
  570   1HA   GLY  88          2HA       GLY  88   5.997   0.449   5.621
  571   2HA   GLY  88          1HA       GLY  88   7.206   0.355   4.348
  572    H    VAL  89           H        VAL  89   6.207   2.788   4.499
  573    HA   VAL  89           HA       VAL  89   3.852   2.953   2.674
  574    HB   VAL  89           HB       VAL  89   5.198   4.993   4.425
  575   1HG1  VAL  89          1HG1      VAL  89   2.987   5.309   2.398
  576   2HG1  VAL  89          2HG1      VAL  89   4.533   6.151   2.451
  577   3HG1  VAL  89          3HG1      VAL  89   3.313   6.483   3.673
  578   1HG2  VAL  89          1HG2      VAL  89   3.674   3.389   5.568
  579   2HG2  VAL  89          2HG2      VAL  89   2.444   3.745   4.394
  580   3HG2  VAL  89          3HG2      VAL  89   2.922   4.975   5.502
  581    H    ILE  90           H        ILE  90   3.963   4.090   0.748
  582    HA   ILE  90           HA       ILE  90   6.604   5.139  -0.128
  583    HB   ILE  90           HB       ILE  90   6.260   3.942  -2.306
  584   1HG1  ILE  90          2HG1      ILE  90   4.057   2.676  -0.666
  585   2HG1  ILE  90          1HG1      ILE  90   4.004   3.280  -2.303
  586   1HG2  ILE  90          1HG2      ILE  90   7.781   3.191  -0.391
  587   2HG2  ILE  90          2HG2      ILE  90   7.363   1.967  -1.574
  588   3HG2  ILE  90          3HG2      ILE  90   6.538   1.999  -0.012
  589   1HD1  ILE  90          1HD1      ILE  90   5.704   1.307  -2.745
  590   2HD1  ILE  90          2HD1      ILE  90   3.992   0.997  -2.613
  591   3HD1  ILE  90          3HD1      ILE  90   5.041   0.710  -1.236
  592    H    THR  91           H        THR  91   6.301   6.513  -2.138
  593    HA   THR  91           HA       THR  91   3.486   7.475  -2.305
  594    HB   THR  91           HB       THR  91   4.760   9.028  -0.930
  595    HG1  THR  91           1HG      THR  91   4.187  10.814  -2.055
  596   1HG2  THR  91          1HG2      THR  91   6.899   8.354  -2.679
  597   2HG2  THR  91          2HG2      THR  91   6.924   9.421  -1.296
  598   3HG2  THR  91          3HG2      THR  91   6.576  10.063  -2.893
  599    H    HIS  92           H        HIS  92   2.706   7.553  -4.324
  600    HA   HIS  92           HA       HIS  92   4.422   7.050  -6.621
  601   1HB   HIS  92          2HB       HIS  92   1.628   6.886  -5.989
  602   2HB   HIS  92          1HB       HIS  92   1.794   7.810  -7.482
  603    HD1  HIS  92           1HD      HIS  92   4.254   5.109  -6.663
  604    HD2  HIS  92           2HD      HIS  92   0.797   5.597  -8.934
  605    HE1  HIS  92           1HE      HIS  92   4.198   3.208  -8.306
  606    HE2  HIS  92           2HE      HIS  92   1.899   3.274  -9.350
  607    H    THR  93           H        THR  93   5.729   9.042  -6.262
  608    HA   THR  93           HA       THR  93   5.154  11.060  -8.136
  609    HB   THR  93           HB       THR  93   3.951  11.553  -5.424
  610    HG1  THR  93           1HG      THR  93   3.282  12.363  -8.092
  611   1HG2  THR  93          1HG2      THR  93   5.302  13.667  -7.128
  612   2HG2  THR  93          2HG2      THR  93   5.520  13.349  -5.400
  613   3HG2  THR  93          3HG2      THR  93   4.010  14.025  -5.987
  614    H    GLY  94           H        GLY  94   6.699  10.177  -5.095
  615   1HA   GLY  94          2HA       GLY  94   8.638  12.250  -4.983
  616   2HA   GLY  94          1HA       GLY  94   8.821  10.644  -4.279
  617    H    ALA  95           H        ALA  95   8.258   9.748  -7.311
  618    HA   ALA  95           HA       ALA  95  11.079  10.166  -8.215
  619   1HB   ALA  95          1HB       ALA  95  10.183   7.752  -9.311
  620   2HB   ALA  95          2HB       ALA  95   9.628   7.734  -7.632
  621   3HB   ALA  95          3HB       ALA  95  11.326   7.962  -7.993
  622    H    SER  96           H        SER  96  11.169   9.473 -10.669
  623    HA   SER  96           HA       SER  96   9.867  11.329 -12.232
  624   1HB   SER  96          2HB       SER  96   9.999   9.349 -14.068
  625   2HB   SER  96          1HB       SER  96  11.446  10.152 -13.449
  626    HG   SER  96           HG       SER  96  11.737   7.945 -13.252
  627    H    GLY  97           H        GLY  97   7.768  11.625 -12.950
  628   1HA   GLY  97          2HA       GLY  97   5.482  11.213 -13.240
  629   2HA   GLY  97          1HA       GLY  97   5.897   9.507 -13.440
  630    H    ASN  98           H        ASN  98   5.962   8.156 -11.554
  631    HA   ASN  98           HA       ASN  98   4.955   9.392  -9.062
  632   1HB   ASN  98          2HB       ASN  98   3.742   6.849  -9.220
  633   2HB   ASN  98          1HB       ASN  98   2.944   8.403  -9.262
  634   1HD2  ASN  98          1HD2      ASN  98   1.859   8.877 -11.144
  635   2HD2  ASN  98          2HD2      ASN  98   2.109   8.047 -12.638
  636    H    ASN  99           H        ASN  99   5.446   5.972  -9.935
  637    HA   ASN  99           HA       ASN  99   6.824   4.388  -8.995
  638   1HB   ASN  99          2HB       ASN  99   8.476   6.606  -9.682
  639   2HB   ASN  99          1HB       ASN  99   8.975   6.095  -8.067
  640   1HD2  ASN  99          1HD2      ASN  99   8.246   4.665 -11.266
  641   2HD2  ASN  99          2HD2      ASN  99   9.441   3.427 -11.104
  642    H    PHE 100           H        PHE 100   7.503   3.571  -6.893
  643    HA   PHE 100           HA       PHE 100   6.355   5.208  -4.658
  644   1HB   PHE 100          2HB       PHE 100   6.670   2.609  -3.697
  645   2HB   PHE 100          1HB       PHE 100   5.164   3.363  -4.215
  646    HD1  PHE 100           1HD      PHE 100   8.179   1.585  -5.536
  647    HD2  PHE 100           2HD      PHE 100   4.006   2.361  -6.002
  648    HE1  PHE 100           1HE      PHE 100   8.077  -0.027  -7.364
  649    HE2  PHE 100           2HE      PHE 100   3.864   0.702  -7.812
  650    HZ   PHE 100           HZ       PHE 100   5.885  -0.474  -8.527
  651    H    VAL 101           H        VAL 101   7.719   5.926  -3.151
  652    HA   VAL 101           HA       VAL 101  10.299   4.506  -2.708
  653    HB   VAL 101           HB       VAL 101  10.974   7.083  -2.111
  654   1HG1  VAL 101          1HG1      VAL 101  11.131   5.790  -4.853
  655   2HG1  VAL 101          2HG1      VAL 101  12.253   5.514  -3.518
  656   3HG1  VAL 101          3HG1      VAL 101  12.149   7.107  -4.263
  657   1HG2  VAL 101          1HG2      VAL 101   9.171   7.271  -4.556
  658   2HG2  VAL 101          2HG2      VAL 101  10.114   8.562  -3.817
  659   3HG2  VAL 101          3HG2      VAL 101   8.755   7.872  -2.951
  660    H    GLU 102           H        GLU 102  10.859   4.287  -0.548
  661    HA   GLU 102           HA       GLU 102   8.868   4.345   1.393
  662   1HB   GLU 102          2HB       GLU 102  11.875   4.502   1.633
  663   2HB   GLU 102          1HB       GLU 102  10.848   4.393   3.068
  664   1HG   GLU 102          2HG       GLU 102  10.445   2.416   0.824
  665   2HG   GLU 102          1HG       GLU 102  11.795   2.212   1.949
  666    H    CYS 103           H        CYS 103   7.828   6.014   2.372
  667    HA   CYS 103           HA       CYS 103   8.678   8.749   1.940
  668   1HB   CYS 103          2HB       CYS 103   6.456   7.367   3.431
  669   2HB   CYS 103          1HB       CYS 103   6.822   9.040   3.885
  670    H    THR 104           H        THR 104  10.022   9.980   3.190
  671    HA   THR 104           HA       THR 104  10.920   8.797   5.802
  672    HB   THR 104           HB       THR 104  12.939  10.261   5.475
  673    HG1  THR 104           1HG      THR 104  13.125  11.432   3.635
  674   1HG2  THR 104          1HG2      THR 104  12.328   8.378   3.181
  675   2HG2  THR 104          2HG2      THR 104  12.965   7.906   4.759
  676   3HG2  THR 104          3HG2      THR 104  13.930   8.917   3.684
  Start of MODEL   12
    1   1H    ALA   1          1HT       ALA   1  -1.456   7.990  16.674
    2   2H    ALA   1          2HT       ALA   1  -1.300   9.700  16.585
    3   3H    ALA   1          3HT       ALA   1  -0.889   8.878  18.031
    4    HA   ALA   1           HA       ALA   1   1.076   9.532  16.842
    5   1HB   ALA   1          1HB       ALA   1   1.097   7.462  18.167
    6   2HB   ALA   1          2HB       ALA   1   2.129   7.303  16.748
    7   3HB   ALA   1          3HB       ALA   1   0.531   6.549  16.770
    8    H    CYS   2           H        CYS   2   2.505   8.671  14.938
    9    HA   CYS   2           HA       CYS   2   1.436   7.553  12.627
   10   1HB   CYS   2          2HB       CYS   2   1.311   9.890  11.329
   11   2HB   CYS   2          1HB       CYS   2  -0.111   9.240  12.134
   12    H    ASP   3           H        ASP   3   3.186   7.029  11.419
   13    HA   ASP   3           HA       ASP   3   5.553   8.855  11.558
   14   1HB   ASP   3          2HB       ASP   3   5.463   6.305  12.585
   15   2HB   ASP   3          1HB       ASP   3   6.025   5.969  10.944
   16    H    TYR   4           H        TYR   4   3.160   7.659   9.553
   17    HA   TYR   4           HA       TYR   4   4.948   7.667   7.162
   18   1HB   TYR   4          2HB       TYR   4   2.121   6.671   7.621
   19   2HB   TYR   4          1HB       TYR   4   2.870   6.738   6.021
   20    HD1  TYR   4           1HD      TYR   4   5.350   5.727   5.974
   21    HD2  TYR   4           2HD      TYR   4   2.274   4.671   8.778
   22    HE1  TYR   4           1HE      TYR   4   6.483   3.561   6.396
   23    HE2  TYR   4           2HE      TYR   4   3.408   2.507   9.209
   24    HH   TYR   4           HH       TYR   4   5.344   1.032   7.442
   25    H    THR   5           H        THR   5   5.197   9.990   7.148
   26    HA   THR   5           HA       THR   5   2.676  11.433   6.391
   27    HB   THR   5           HB       THR   5   5.203  12.626   7.596
   28    HG1  THR   5           1HG      THR   5   4.277  11.487   9.224
   29   1HG2  THR   5          1HG2      THR   5   3.115  14.329   8.060
   30   2HG2  THR   5          2HG2      THR   5   2.701  13.703   6.467
   31   3HG2  THR   5          3HG2      THR   5   4.258  14.472   6.732
   32    H    CYS   6           H        CYS   6   2.618  12.242   4.368
   33    HA   CYS   6           HA       CYS   6   5.209  12.766   2.941
   34   1HB   CYS   6          2HB       CYS   6   2.968  10.939   2.211
   35   2HB   CYS   6          1HB       CYS   6   3.546  11.975   0.905
   36    H    GLY   7           H        GLY   7   2.785  14.167   4.261
   37   1HA   GLY   7          2HA       GLY   7   2.895  16.555   2.701
   38   2HA   GLY   7          1HA       GLY   7   1.393  15.693   2.348
   39    H    SER   8           H        SER   8   3.062  15.713   5.477
   40    HA   SER   8           HA       SER   8   2.391  16.507   7.547
   41   1HB   SER   8          2HB       SER   8   1.393  18.501   5.636
   42   2HB   SER   8          1HB       SER   8   0.345  18.382   7.040
   43    HG   SER   8           HG       SER   8   2.016  18.924   8.330
   44    H    ASN   9           H        ASN   9   0.961  14.320   6.021
   45    HA   ASN   9           HA       ASN   9  -1.807  14.527   7.028
   46   1HB   ASN   9          2HB       ASN   9  -0.281  12.611   5.259
   47   2HB   ASN   9          1HB       ASN   9  -1.794  12.083   6.006
   48   1HD2  ASN   9          1HD2      ASN   9  -1.283  15.470   5.067
   49   2HD2  ASN   9          2HD2      ASN   9  -2.421  15.413   3.802
   50    H    CYS  10           H        CYS  10   1.237  13.268   8.066
   51    HA   CYS  10           HA       CYS  10   1.802  11.753   9.725
   52   1HB   CYS  10          2HB       CYS  10   0.690  13.988  10.728
   53   2HB   CYS  10          1HB       CYS  10  -0.472  12.826  11.368
   54    H    TYR  11           H        TYR  11   1.026   9.886   8.475
   55    HA   TYR  11           HA       TYR  11  -1.682   8.896   9.010
   56   1HB   TYR  11          2HB       TYR  11   0.705   7.937   7.471
   57   2HB   TYR  11          1HB       TYR  11  -0.487   6.735   7.927
   58    HD1  TYR  11           1HD      TYR  11   0.268   9.524   5.731
   59    HD2  TYR  11           2HD      TYR  11  -2.871   7.021   7.245
   60    HE1  TYR  11           1HE      TYR  11  -1.181  10.228   3.857
   61    HE2  TYR  11           2HE      TYR  11  -4.331   7.723   5.368
   62    HH   TYR  11           HH       TYR  11  -3.825  10.362   3.482
   63    H    SER  12           H        SER  12  -2.246   7.475  10.605
   64    HA   SER  12           HA       SER  12  -0.325   6.943  12.722
   65   1HB   SER  12          2HB       SER  12  -2.732   5.436  13.107
   66   2HB   SER  12          1HB       SER  12  -2.189   6.871  13.953
   67    HG   SER  12           HG       SER  12  -3.624   6.858  11.512
   68    H    SER  13           H        SER  13   0.894   5.131  12.972
   69    HA   SER  13           HA       SER  13   1.099   3.166  10.950
   70   1HB   SER  13          2HB       SER  13   1.848   1.909  13.409
   71   2HB   SER  13          1HB       SER  13   2.896   2.684  12.217
   72    HG   SER  13           HG       SER  13   3.152   3.693  14.213
   73    H    SER  14           H        SER  14  -1.297   3.517  13.435
   74    HA   SER  14           HA       SER  14  -2.111   0.685  13.255
   75   1HB   SER  14          2HB       SER  14  -4.035   2.096  14.742
   76   2HB   SER  14          1HB       SER  14  -2.681   1.156  15.377
   77    HG   SER  14           HG       SER  14  -2.807   3.431  16.048
   78    H    ASP  15           H        ASP  15  -3.083   3.866  12.102
   79    HA   ASP  15           HA       ASP  15  -5.673   2.984  11.143
   80   1HB   ASP  15          2HB       ASP  15  -3.946   5.417  10.751
   81   2HB   ASP  15          1HB       ASP  15  -5.352   5.184   9.719
   82    H    VAL  16           H        VAL  16  -2.396   3.143   9.940
   83    HA   VAL  16           HA       VAL  16  -2.993   2.696   7.167
   84    HB   VAL  16           HB       VAL  16  -0.497   1.693   8.587
   85   1HG1  VAL  16          1HG1      VAL  16   0.547   2.293   6.443
   86   2HG1  VAL  16          2HG1      VAL  16  -0.999   2.890   5.835
   87   3HG1  VAL  16          3HG1      VAL  16  -0.787   1.172   6.180
   88   1HG2  VAL  16          1HG2      VAL  16  -1.513   4.450   8.442
   89   2HG2  VAL  16          2HG2      VAL  16   0.050   4.262   7.666
   90   3HG2  VAL  16          3HG2      VAL  16  -0.154   3.767   9.325
   91    H    SER  17           H        SER  17  -2.887   0.661  10.005
   92    HA   SER  17           HA       SER  17  -2.682  -1.865   8.637
   93   1HB   SER  17          2HB       SER  17  -2.263  -2.381  10.788
   94   2HB   SER  17          1HB       SER  17  -3.068  -0.935  11.393
   95    HG   SER  17           HG       SER  17  -4.112  -2.938  11.981
   96    H    THR  18           H        THR  18  -5.390   0.150   9.790
   97    HA   THR  18           HA       THR  18  -7.469  -1.710   9.191
   98    HB   THR  18           HB       THR  18  -8.564   0.831   8.636
   99    HG1  THR  18           1HG      THR  18  -6.801   1.242  10.797
  100   1HG2  THR  18          1HG2      THR  18  -9.472  -0.871  10.161
  101   2HG2  THR  18          2HG2      THR  18  -9.382   0.712  10.930
  102   3HG2  THR  18          3HG2      THR  18  -8.184  -0.520  11.318
  103    H    ALA  19           H        ALA  19  -6.145   0.968   7.238
  104    HA   ALA  19           HA       ALA  19  -7.612   0.308   4.861
  105   1HB   ALA  19          1HB       ALA  19  -5.980   1.723   3.709
  106   2HB   ALA  19          2HB       ALA  19  -4.894   1.630   5.097
  107   3HB   ALA  19          3HB       ALA  19  -6.441   2.469   5.242
  108    H    GLN  20           H        GLN  20  -4.744  -0.976   6.372
  109    HA   GLN  20           HA       GLN  20  -3.719  -2.344   4.085
  110   1HB   GLN  20          2HB       GLN  20  -2.935  -1.977   6.775
  111   2HB   GLN  20          1HB       GLN  20  -3.118  -3.703   6.627
  112   1HG   GLN  20          2HG       GLN  20  -1.269  -1.859   5.134
  113   2HG   GLN  20          1HG       GLN  20  -0.933  -3.353   6.017
  114   1HE2  GLN  20          1HE2      GLN  20  -2.768  -5.127   4.976
  115   2HE2  GLN  20          2HE2      GLN  20  -2.637  -5.212   3.276
  116    H    ALA  21           H        ALA  21  -6.161  -3.055   6.499
  117    HA   ALA  21           HA       ALA  21  -6.421  -5.864   5.741
  118   1HB   ALA  21          1HB       ALA  21  -8.387  -5.826   7.229
  119   2HB   ALA  21          2HB       ALA  21  -8.232  -4.074   7.387
  120   3HB   ALA  21          3HB       ALA  21  -6.971  -5.131   8.018
  121    H    ALA  22           H        ALA  22  -7.440  -2.856   4.473
  122    HA   ALA  22           HA       ALA  22  -9.922  -3.817   3.278
  123   1HB   ALA  22          1HB       ALA  22 -10.186  -1.659   2.502
  124   2HB   ALA  22          2HB       ALA  22  -8.458  -1.362   2.322
  125   3HB   ALA  22          3HB       ALA  22  -9.199  -1.363   3.921
  126    H    GLY  23           H        GLY  23  -6.610  -3.011   2.142
  127   1HA   GLY  23          2HA       GLY  23  -7.120  -3.984  -0.563
  128   2HA   GLY  23          1HA       GLY  23  -5.551  -3.603   0.134
  129    H    TYR  24           H        TYR  24  -5.984  -5.331   2.471
  130    HA   TYR  24           HA       TYR  24  -4.948  -7.772   1.293
  131   1HB   TYR  24          2HB       TYR  24  -4.048  -7.139   3.443
  132   2HB   TYR  24          1HB       TYR  24  -5.667  -6.941   4.110
  133    HD1  TYR  24           1HD      TYR  24  -5.751  -8.494   5.863
  134    HD2  TYR  24           2HD      TYR  24  -4.356  -9.724   1.988
  135    HE1  TYR  24           1HE      TYR  24  -5.749 -10.857   6.611
  136    HE2  TYR  24           2HE      TYR  24  -4.357 -12.078   2.730
  137    HH   TYR  24           HH       TYR  24  -4.196 -13.156   5.513
  138    H    GLN  25           H        GLN  25  -8.006  -6.780   2.803
  139    HA   GLN  25           HA       GLN  25  -9.169  -9.426   2.711
  140   1HB   GLN  25          2HB       GLN  25  -9.944  -7.330   4.055
  141   2HB   GLN  25          1HB       GLN  25 -10.781  -6.859   2.573
  142   1HG   GLN  25          2HG       GLN  25 -11.615  -9.419   2.743
  143   2HG   GLN  25          1HG       GLN  25 -11.273  -9.127   4.457
  144   1HE2  GLN  25          1HE2      GLN  25 -11.950  -6.180   4.138
  145   2HE2  GLN  25          2HE2      GLN  25 -13.663  -6.177   4.031
  146    H    LEU  26           H        LEU  26  -9.739  -6.504   0.720
  147    HA   LEU  26           HA       LEU  26 -11.335  -7.666  -1.233
  148   1HB   LEU  26          2HB       LEU  26 -10.254  -5.196  -0.920
  149   2HB   LEU  26          1HB       LEU  26  -9.177  -5.787  -2.180
  150    HG   LEU  26           HG       LEU  26 -10.956  -4.752  -3.356
  151   1HD1  LEU  26          1HD1      LEU  26 -10.360  -7.072  -4.150
  152   2HD1  LEU  26          2HD1      LEU  26 -11.954  -6.502  -4.521
  153   3HD1  LEU  26          3HD1      LEU  26 -11.771  -7.680  -3.258
  154   1HD2  LEU  26          1HD2      LEU  26 -13.313  -5.167  -2.854
  155   2HD2  LEU  26          2HD2      LEU  26 -12.488  -4.566  -1.420
  156   3HD2  LEU  26          3HD2      LEU  26 -12.871  -6.280  -1.561
  157    H    HIS  27           H        HIS  27  -7.820  -7.800  -0.858
  158    HA   HIS  27           HA       HIS  27  -7.266  -9.059  -3.378
  159   1HB   HIS  27          2HB       HIS  27  -5.438  -8.053  -2.155
  160   2HB   HIS  27          1HB       HIS  27  -5.767  -9.053  -0.736
  161    HD1  HIS  27           1HD      HIS  27  -5.608 -10.245  -4.335
  162    HD2  HIS  27           2HD      HIS  27  -3.519 -10.677  -0.749
  163    HE1  HIS  27           1HE      HIS  27  -3.870 -12.033  -4.734
  164    HE2  HIS  27           2HE      HIS  27  -2.816 -12.492  -2.480
  165    H    GLU  28           H        GLU  28  -8.035 -10.325  -0.143
  166    HA   GLU  28           HA       GLU  28  -7.741 -13.099  -1.032
  167   1HB   GLU  28          2HB       GLU  28  -7.716 -11.844   1.455
  168   2HB   GLU  28          1HB       GLU  28  -9.312 -12.596   1.440
  169   1HG   GLU  28          2HG       GLU  28  -7.920 -14.258   2.323
  170   2HG   GLU  28          1HG       GLU  28  -8.107 -14.738   0.630
  171    H    ASP  29           H        ASP  29 -10.047 -10.768  -1.611
  172    HA   ASP  29           HA       ASP  29 -12.297 -12.698  -1.582
  173   1HB   ASP  29          2HB       ASP  29 -12.036  -9.726  -1.456
  174   2HB   ASP  29          1HB       ASP  29 -13.411 -10.340  -2.381
  175    H    GLY  30           H        GLY  30  -9.865 -11.799  -3.647
  176   1HA   GLY  30          2HA       GLY  30  -9.622 -11.891  -5.959
  177   2HA   GLY  30          1HA       GLY  30 -10.972 -13.028  -5.918
  178    H    GLU  31           H        GLU  31 -11.368  -9.752  -4.706
  179    HA   GLU  31           HA       GLU  31 -13.198  -9.225  -7.010
  180   1HB   GLU  31          2HB       GLU  31 -13.377  -8.817  -4.124
  181   2HB   GLU  31          1HB       GLU  31 -13.675  -7.309  -4.964
  182   1HG   GLU  31          2HG       GLU  31 -15.013  -9.837  -5.900
  183   2HG   GLU  31          1HG       GLU  31 -15.644  -8.916  -4.528
  184    H    THR  32           H        THR  32 -13.394  -6.449  -6.718
  185    HA   THR  32           HA       THR  32 -10.619  -5.431  -6.940
  186    HB   THR  32           HB       THR  32 -12.363  -4.341  -9.055
  187    HG1  THR  32           1HG      THR  32 -11.705  -7.110  -9.271
  188   1HG2  THR  32          1HG2      THR  32 -10.380  -4.052  -9.901
  189   2HG2  THR  32          2HG2      THR  32 -10.101  -5.778 -10.037
  190   3HG2  THR  32          3HG2      THR  32  -9.615  -4.929  -8.573
  191    H    VAL  33           H        VAL  33 -10.834  -2.935  -7.375
  192    HA   VAL  33           HA       VAL  33 -12.600  -1.917  -5.228
  193    HB   VAL  33           HB       VAL  33 -11.317   0.226  -5.623
  194   1HG1  VAL  33          1HG1      VAL  33  -9.197  -0.632  -4.749
  195   2HG1  VAL  33          2HG1      VAL  33  -9.654  -2.269  -5.221
  196   3HG1  VAL  33          3HG1      VAL  33 -10.566  -1.421  -3.970
  197   1HG2  VAL  33          1HG2      VAL  33  -9.492  -1.321  -7.335
  198   2HG2  VAL  33          2HG2      VAL  33  -9.683   0.392  -7.257
  199   3HG2  VAL  33          3HG2      VAL  33 -10.850  -0.583  -8.120
  200    H    GLY  34           H        GLY  34 -12.935   0.761  -6.346
  201   1HA   GLY  34          2HA       GLY  34 -15.405   0.708  -7.481
  202   2HA   GLY  34          1HA       GLY  34 -14.224   1.947  -7.903
  203    H    SER  35           H        SER  35 -12.369   0.139  -9.211
  204    HA   SER  35           HA       SER  35 -13.394  -1.547 -11.153
  205   1HB   SER  35          2HB       SER  35 -14.320   1.158 -11.631
  206   2HB   SER  35          1HB       SER  35 -13.181   0.731 -12.885
  207    HG   SER  35           HG       SER  35 -15.213   0.021 -13.479
  208    H    ASN  36           H        ASN  36 -11.137   1.022 -10.362
  209    HA   ASN  36           HA       ASN  36  -9.225   0.231 -12.436
  210   1HB   ASN  36          2HB       ASN  36  -9.343   2.266 -10.225
  211   2HB   ASN  36          1HB       ASN  36  -7.744   1.783 -10.800
  212   1HD2  ASN  36          1HD2      ASN  36 -10.699   3.445 -11.702
  213   2HD2  ASN  36          2HD2      ASN  36 -10.077   4.054 -13.194
  214    H    SER  37           H        SER  37 -10.221  -1.469  -9.866
  215    HA   SER  37           HA       SER  37  -9.234  -2.952  -8.397
  216   1HB   SER  37          2HB       SER  37  -6.949  -3.329 -10.261
  217   2HB   SER  37          1HB       SER  37  -7.993  -4.553  -9.574
  218    HG   SER  37           HG       SER  37  -8.325  -4.227 -11.837
  219    H    TYR  38           H        TYR  38  -6.647  -3.611  -7.783
  220    HA   TYR  38           HA       TYR  38  -4.748  -1.624  -7.679
  221   1HB   TYR  38          2HB       TYR  38  -7.019  -0.806  -6.106
  222   2HB   TYR  38          1HB       TYR  38  -5.700  -1.151  -5.007
  223    HD1  TYR  38           1HD      TYR  38  -7.043   1.367  -6.998
  224    HD2  TYR  38           2HD      TYR  38  -3.297  -0.412  -5.881
  225    HE1  TYR  38           1HE      TYR  38  -5.868   3.437  -7.639
  226    HE2  TYR  38           2HE      TYR  38  -2.116   1.673  -6.510
  227    HH   TYR  38           HH       TYR  38  -2.945   3.783  -8.380
  228    HA   PRO  39           HA       PRO  39  -3.988  -4.489  -3.930
  229   1HB   PRO  39          2HB       PRO  39  -5.837  -6.440  -3.456
  230   2HB   PRO  39          1HB       PRO  39  -5.823  -4.859  -2.685
  231   1HG   PRO  39          2HG       PRO  39  -7.606  -5.875  -4.860
  232   2HG   PRO  39          1HG       PRO  39  -7.936  -4.648  -3.624
  233   1HD   PRO  39          2HD       PRO  39  -7.300  -4.170  -6.295
  234   2HD   PRO  39          1HD       PRO  39  -7.264  -2.957  -5.013
  235    H    HIS  40           H        HIS  40  -2.366  -5.287  -5.212
  236    HA   HIS  40           HA       HIS  40  -2.739  -8.068  -6.175
  237   1HB   HIS  40          2HB       HIS  40  -1.001  -6.738  -8.076
  238   2HB   HIS  40          1HB       HIS  40  -2.517  -7.596  -8.374
  239    HD1  HIS  40           1HD      HIS  40  -4.672  -6.241  -8.517
  240    HD2  HIS  40           2HD      HIS  40  -1.269  -3.917  -7.988
  241    HE1  HIS  40           1HE      HIS  40  -5.308  -3.890  -9.098
  242    HE2  HIS  40           2HE      HIS  40  -3.224  -2.510  -8.957
  243    H    LYS  41           H        LYS  41  -0.368  -8.887  -6.800
  244    HA   LYS  41           HA       LYS  41   1.171  -8.573  -4.433
  245   1HB   LYS  41          2HB       LYS  41   2.667 -10.105  -5.320
  246   2HB   LYS  41          1HB       LYS  41   1.192 -10.487  -6.205
  247   1HG   LYS  41          2HG       LYS  41   2.354 -10.207  -8.074
  248   2HG   LYS  41          1HG       LYS  41   2.321  -8.488  -7.786
  249   1HD   LYS  41          2HD       LYS  41   4.593  -8.810  -7.949
  250   2HD   LYS  41          1HD       LYS  41   4.408  -9.034  -6.205
  251   1HE   LYS  41          2HE       LYS  41   3.913 -11.529  -7.680
  252   2HE   LYS  41          1HE       LYS  41   5.504 -10.848  -8.028
  253   1HZ   LYS  41          1HZ       LYS  41   4.411 -11.381  -5.317
  254   2HZ   LYS  41          2HZ       LYS  41   5.927 -10.699  -5.643
  255   3HZ   LYS  41          3HZ       LYS  41   5.593 -12.287  -6.113
  256    H    TYR  42           H        TYR  42   3.344  -7.662  -4.203
  257    HA   TYR  42           HA       TYR  42   3.881  -5.371  -6.049
  258   1HB   TYR  42          2HB       TYR  42   3.041  -4.211  -4.229
  259   2HB   TYR  42          1HB       TYR  42   3.495  -5.466  -3.090
  260    HD1  TYR  42           1HD      TYR  42   6.102  -5.773  -2.700
  261    HD2  TYR  42           2HD      TYR  42   4.292  -2.244  -4.281
  262    HE1  TYR  42           1HE      TYR  42   8.060  -4.505  -1.998
  263    HE2  TYR  42           2HE      TYR  42   6.260  -0.947  -3.565
  264    HH   TYR  42           HH       TYR  42   9.172  -2.462  -2.242
  265    H    ASN  43           H        ASN  43   5.998  -5.323  -6.725
  266    HA   ASN  43           HA       ASN  43   7.950  -7.072  -5.243
  267   1HB   ASN  43          2HB       ASN  43   9.038  -7.293  -7.592
  268   2HB   ASN  43          1HB       ASN  43   7.550  -8.196  -7.288
  269   1HD2  ASN  43          1HD2      ASN  43   8.893  -5.443  -9.020
  270   2HD2  ASN  43          2HD2      ASN  43   7.488  -5.177  -9.988
  271    H    ASN  44           H        ASN  44   7.311  -3.967  -6.732
  272    HA   ASN  44           HA       ASN  44   8.668  -2.112  -6.996
  273   1HB   ASN  44          2HB       ASN  44   8.910  -3.172  -4.302
  274   2HB   ASN  44          1HB       ASN  44  10.351  -2.305  -4.695
  275   1HD2  ASN  44          1HD2      ASN  44   9.991  -0.404  -3.532
  276   2HD2  ASN  44          2HD2      ASN  44   8.663   0.636  -3.831
  277    H    TYR  45           H        TYR  45  11.365  -1.729  -6.136
  278    HA   TYR  45           HA       TYR  45  13.195  -3.693  -6.752
  279   1HB   TYR  45          2HB       TYR  45  11.892  -2.502  -9.180
  280   2HB   TYR  45          1HB       TYR  45  13.650  -2.649  -9.260
  281    HD1  TYR  45           1HD      TYR  45  11.086  -4.232 -10.551
  282    HD2  TYR  45           2HD      TYR  45  14.198  -5.083  -7.707
  283    HE1  TYR  45           1HE      TYR  45  10.902  -6.649 -11.067
  284    HE2  TYR  45           2HE      TYR  45  14.005  -7.492  -8.213
  285    HH   TYR  45           HH       TYR  45  12.980  -8.806 -10.641
  286    H    GLU  46           H        GLU  46  12.280  -0.354  -6.907
  287    HA   GLU  46           HA       GLU  46  14.398   1.154  -7.430
  288   1HB   GLU  46          2HB       GLU  46  12.159   1.430  -5.817
  289   2HB   GLU  46          1HB       GLU  46  13.454   1.686  -4.651
  290   1HG   GLU  46          2HG       GLU  46  13.823   3.075  -7.253
  291   2HG   GLU  46          1HG       GLU  46  12.433   3.583  -6.294
  292    H    GLY  47           H        GLY  47  14.136  -0.375  -4.194
  293   1HA   GLY  47          2HA       GLY  47  16.494  -1.633  -3.862
  294   2HA   GLY  47          1HA       GLY  47  17.048   0.040  -3.770
  295    H    PHE  48           H        PHE  48  14.211  -1.748  -2.475
  296    HA   PHE  48           HA       PHE  48  14.776  -0.429   0.163
  297   1HB   PHE  48          2HB       PHE  48  12.224  -1.526  -1.069
  298   2HB   PHE  48          1HB       PHE  48  12.345  -1.040   0.630
  299    HD1  PHE  48           1HD      PHE  48  11.675   0.104  -2.660
  300    HD2  PHE  48           2HD      PHE  48  13.341   1.325   1.102
  301    HE1  PHE  48           1HE      PHE  48  11.321   2.479  -3.278
  302    HE2  PHE  48           2HE      PHE  48  12.993   3.702   0.482
  303    HZ   PHE  48           HZ       PHE  48  12.019   4.271  -1.714
  304    H    ASP  49           H        ASP  49  14.959  -1.700   1.996
  305    HA   ASP  49           HA       ASP  49  15.184  -4.655   1.485
  306   1HB   ASP  49          2HB       ASP  49  16.583  -4.556   3.655
  307   2HB   ASP  49          1HB       ASP  49  17.293  -3.835   2.206
  308    H    PHE  50           H        PHE  50  12.763  -4.682   1.790
  309    HA   PHE  50           HA       PHE  50  11.623  -4.018   4.365
  310   1HB   PHE  50          2HB       PHE  50  10.723  -5.964   2.199
  311   2HB   PHE  50          1HB       PHE  50   9.746  -5.526   3.612
  312    HD1  PHE  50           1HD      PHE  50   8.986  -5.108   0.686
  313    HD2  PHE  50           2HD      PHE  50  10.830  -2.534   3.586
  314    HE1  PHE  50           1HE      PHE  50   8.066  -3.135  -0.430
  315    HE2  PHE  50           2HE      PHE  50   9.930  -0.572   2.413
  316    HZ   PHE  50           HZ       PHE  50   8.539  -0.863   0.383
  317    H    SER  51           H        SER  51  10.432  -6.015   5.537
  318    HA   SER  51           HA       SER  51  12.383  -8.258   5.845
  319   1HB   SER  51          2HB       SER  51  12.642  -6.281   7.577
  320   2HB   SER  51          1HB       SER  51  11.196  -6.982   8.313
  321    HG   SER  51           HG       SER  51  13.289  -7.825   9.059
  322    H    VAL  52           H        VAL  52   9.483  -7.663   4.846
  323    HA   VAL  52           HA       VAL  52   7.906  -9.366   6.673
  324    HB   VAL  52           HB       VAL  52   7.252  -7.957   4.124
  325   1HG1  VAL  52          1HG1      VAL  52   5.652  -9.834   5.777
  326   2HG1  VAL  52          2HG1      VAL  52   5.821  -9.821   4.033
  327   3HG1  VAL  52          3HG1      VAL  52   4.852  -8.600   4.818
  328   1HG2  VAL  52          1HG2      VAL  52   6.408  -7.495   6.961
  329   2HG2  VAL  52          2HG2      VAL  52   5.803  -6.586   5.574
  330   3HG2  VAL  52          3HG2      VAL  52   7.503  -6.474   6.025
  331    H    SER  53           H        SER  53   7.874  -9.536   3.108
  332    HA   SER  53           HA       SER  53   9.112 -12.170   3.077
  333   1HB   SER  53          2HB       SER  53   6.155 -11.840   2.651
  334   2HB   SER  53          1HB       SER  53   7.018 -13.280   2.168
  335    HG   SER  53           HG       SER  53   6.116 -13.517   4.236
  336    H    SER  54           H        SER  54   8.439 -13.133   0.696
  337    HA   SER  54           HA       SER  54   9.473 -11.129  -1.163
  338   1HB   SER  54          2HB       SER  54   8.461 -13.601  -2.404
  339   2HB   SER  54          1HB       SER  54  10.072 -12.908  -2.369
  340    HG   SER  54           HG       SER  54  10.536 -13.933  -0.519
  341    HA   PRO  55           HA       PRO  55   5.207 -11.770  -3.220
  342   1HB   PRO  55          2HB       PRO  55   3.333 -13.229  -1.854
  343   2HB   PRO  55          1HB       PRO  55   4.497 -13.919  -2.983
  344   1HG   PRO  55          2HG       PRO  55   4.491 -14.039   0.006
  345   2HG   PRO  55          1HG       PRO  55   5.170 -15.190  -1.159
  346   1HD   PRO  55          2HD       PRO  55   6.567 -13.263   0.309
  347   2HD   PRO  55          1HD       PRO  55   7.204 -14.204  -1.029
  348    H    TYR  56           H        TYR  56   5.246  -9.563  -2.586
  349    HA   TYR  56           HA       TYR  56   3.799  -8.753  -0.147
  350   1HB   TYR  56          2HB       TYR  56   5.391  -7.398  -2.271
  351   2HB   TYR  56          1HB       TYR  56   4.347  -6.403  -1.289
  352    HD1  TYR  56           1HD      TYR  56   4.517  -6.763   1.292
  353    HD2  TYR  56           2HD      TYR  56   7.550  -7.843  -1.534
  354    HE1  TYR  56           1HE      TYR  56   6.185  -6.712   3.093
  355    HE2  TYR  56           2HE      TYR  56   9.246  -7.795   0.272
  356    HH   TYR  56           HH       TYR  56   9.352  -8.005   2.754
  357    H    TYR  57           H        TYR  57   2.454  -6.492  -0.944
  358    HA   TYR  57           HA       TYR  57   0.835  -7.011  -3.274
  359   1HB   TYR  57          2HB       TYR  57  -0.310  -7.364  -0.505
  360   2HB   TYR  57          1HB       TYR  57  -1.335  -7.133  -1.936
  361    HD1  TYR  57           1HD      TYR  57   0.573  -9.457  -0.008
  362    HD2  TYR  57           2HD      TYR  57  -1.109  -8.790  -3.849
  363    HE1  TYR  57           1HE      TYR  57   0.769 -11.888  -0.488
  364    HE2  TYR  57           2HE      TYR  57  -0.906 -11.195  -4.386
  365    HH   TYR  57           HH       TYR  57  -0.795 -13.474  -2.601
  366    H    GLU  58           H        GLU  58   0.677  -5.005  -4.091
  367    HA   GLU  58           HA       GLU  58   0.915  -2.645  -2.381
  368   1HB   GLU  58          2HB       GLU  58   0.614  -1.410  -4.547
  369   2HB   GLU  58          1HB       GLU  58   1.948  -2.561  -4.568
  370   1HG   GLU  58          2HG       GLU  58   0.836  -4.068  -5.929
  371   2HG   GLU  58          1HG       GLU  58  -0.768  -3.483  -5.501
  372    H    TRP  59           H        TRP  59  -0.670  -1.168  -1.870
  373    HA   TRP  59           HA       TRP  59  -3.349  -1.294  -3.011
  374   1HB   TRP  59          2HB       TRP  59  -3.750  -3.053  -1.481
  375   2HB   TRP  59          1HB       TRP  59  -2.763  -2.308  -0.219
  376    HD1  TRP  59           HD       TRP  59  -3.890  -0.629   1.369
  377    HE1  TRP  59           1HE      TRP  59  -6.316   0.148   1.723
  378    HE3  TRP  59           3HE      TRP  59  -6.039  -2.560  -2.848
  379    HZ2  TRP  59           2HZ      TRP  59  -8.860  -0.059   0.374
  380    HZ3  TRP  59           3HZ      TRP  59  -8.446  -2.259  -3.264
  381    HH2  TRP  59           HH       TRP  59  -9.862  -1.000  -1.690
  382    HA   PRO  60           HA       PRO  60  -2.735   2.964  -1.830
  383   1HB   PRO  60          2HB       PRO  60  -5.308   3.858  -2.207
  384   2HB   PRO  60          1HB       PRO  60  -4.159   3.553  -3.509
  385   1HG   PRO  60          2HG       PRO  60  -6.424   1.834  -2.579
  386   2HG   PRO  60          1HG       PRO  60  -5.845   2.074  -4.228
  387   1HD   PRO  60          2HD       PRO  60  -5.294  -0.114  -2.664
  388   2HD   PRO  60          1HD       PRO  60  -4.278   0.380  -3.953
  389    H    ILE  61           H        ILE  61  -3.415   4.522  -0.205
  390    HA   ILE  61           HA       ILE  61  -4.995   3.341   2.048
  391    HB   ILE  61           HB       ILE  61  -2.794   3.030   2.823
  392   1HG1  ILE  61          2HG1      ILE  61  -2.445   4.697   4.567
  393   2HG1  ILE  61          1HG1      ILE  61  -3.463   5.872   3.733
  394   1HG2  ILE  61          1HG2      ILE  61  -1.583   4.089   1.027
  395   2HG2  ILE  61          2HG2      ILE  61  -1.028   4.802   2.532
  396   3HG2  ILE  61          3HG2      ILE  61  -2.156   5.687   1.508
  397   1HD1  ILE  61          1HD1      ILE  61  -5.177   3.741   3.946
  398   2HD1  ILE  61          2HD1      ILE  61  -5.053   5.031   5.098
  399   3HD1  ILE  61          3HD1      ILE  61  -4.181   3.550   5.367
  400    H    LEU  62           H        LEU  62  -6.439   4.820   2.939
  401    HA   LEU  62           HA       LEU  62  -6.187   7.665   2.022
  402   1HB   LEU  62          2HB       LEU  62  -8.849   6.615   2.877
  403   2HB   LEU  62          1HB       LEU  62  -8.420   7.740   1.580
  404    HG   LEU  62           HG       LEU  62  -8.127   4.717   1.528
  405   1HD1  LEU  62          1HD1      LEU  62 -10.395   5.616   1.111
  406   2HD1  LEU  62          2HD1      LEU  62  -9.688   4.891  -0.307
  407   3HD1  LEU  62          3HD1      LEU  62  -9.744   6.633  -0.175
  408   1HD2  LEU  62          1HD2      LEU  62  -7.596   5.860  -0.998
  409   2HD2  LEU  62          2HD2      LEU  62  -6.484   5.004   0.026
  410   3HD2  LEU  62          3HD2      LEU  62  -6.597   6.764   0.117
  411    H    SER  63           H        SER  63  -7.102   9.254   3.539
  412    HA   SER  63           HA       SER  63  -7.061   8.299   6.383
  413   1HB   SER  63          2HB       SER  63  -5.131   9.954   5.139
  414   2HB   SER  63          1HB       SER  63  -6.063  11.016   6.143
  415    HG   SER  63           HG       SER  63  -4.423  10.094   7.372
  416    H    SER  64           H        SER  64  -9.251   8.998   4.416
  417    HA   SER  64           HA       SER  64 -10.563  11.052   6.150
  418   1HB   SER  64          2HB       SER  64  -9.745  11.530   3.523
  419   2HB   SER  64          1HB       SER  64 -11.449  11.119   3.339
  420    HG   SER  64           HG       SER  64 -12.000  12.786   4.647
  421    H    GLY  65           H        GLY  65 -11.362   8.887   3.390
  422   1HA   GLY  65          2HA       GLY  65 -13.915   8.199   4.760
  423   2HA   GLY  65          1HA       GLY  65 -13.468   7.800   3.104
  424    H    ASP  66           H        ASP  66 -12.769   5.747   2.721
  425    HA   ASP  66           HA       ASP  66 -11.103   4.256   4.466
  426   1HB   ASP  66          2HB       ASP  66 -13.468   4.342   5.718
  427   2HB   ASP  66          1HB       ASP  66 -13.899   3.099   4.556
  428    H    VAL  67           H        VAL  67 -10.268   2.554   3.284
  429    HA   VAL  67           HA       VAL  67  -9.987   1.081   1.530
  430    HB   VAL  67           HB       VAL  67 -12.978   1.189   1.032
  431   1HG1  VAL  67          1HG1      VAL  67 -12.571  -1.242   0.598
  432   2HG1  VAL  67          2HG1      VAL  67 -10.847  -0.953   0.814
  433   3HG1  VAL  67          3HG1      VAL  67 -11.709  -0.171  -0.502
  434   1HG2  VAL  67          1HG2      VAL  67 -12.930   0.959   3.385
  435   2HG2  VAL  67          2HG2      VAL  67 -11.468  -0.024   3.355
  436   3HG2  VAL  67          3HG2      VAL  67 -13.000  -0.693   2.800
  437    H    TYR  68           H        TYR  68  -9.383   1.475  -0.604
  438    HA   TYR  68           HA       TYR  68 -10.046   4.017  -1.817
  439   1HB   TYR  68          2HB       TYR  68  -7.825   3.154  -2.167
  440   2HB   TYR  68          1HB       TYR  68  -8.465   1.629  -2.814
  441    HD1  TYR  68           1HD      TYR  68  -9.477   1.529  -5.037
  442    HD2  TYR  68           2HD      TYR  68  -7.844   5.188  -3.497
  443    HE1  TYR  68           1HE      TYR  68  -9.555   2.512  -7.306
  444    HE2  TYR  68           2HE      TYR  68  -7.908   6.172  -5.773
  445    HH   TYR  68           HH       TYR  68  -7.975   4.702  -8.434
  446    H    SER  69           H        SER  69 -12.138   4.198  -2.579
  447    HA   SER  69           HA       SER  69 -13.176   1.921  -4.246
  448   1HB   SER  69          2HB       SER  69 -14.452   3.798  -2.309
  449   2HB   SER  69          1HB       SER  69 -15.404   3.364  -3.730
  450    HG   SER  69           HG       SER  69 -15.346   1.260  -3.156
  451    H    GLY  70           H        GLY  70 -11.479   4.498  -4.884
  452   1HA   GLY  70          2HA       GLY  70 -11.545   5.152  -7.301
  453   2HA   GLY  70          1HA       GLY  70 -13.268   5.452  -7.110
  454    H    GLY  71           H        GLY  71 -10.368   6.359  -5.205
  455   1HA   GLY  71          2HA       GLY  71 -11.412   9.170  -5.172
  456   2HA   GLY  71          1HA       GLY  71 -10.397   8.451  -3.927
  457    H    SER  72           H        SER  72  -8.252   8.933  -4.055
  458    HA   SER  72           HA       SER  72  -7.217   9.838  -6.711
  459   1HB   SER  72          2HB       SER  72  -7.364  11.410  -4.590
  460   2HB   SER  72          1HB       SER  72  -5.836  10.628  -4.178
  461    HG   SER  72           HG       SER  72  -4.939  11.402  -6.026
  462    HA   PRO  73           HA       PRO  73  -4.733   6.100  -5.941
  463   1HB   PRO  73          2HB       PRO  73  -3.975   5.824  -8.578
  464   2HB   PRO  73          1HB       PRO  73  -5.503   5.276  -7.926
  465   1HG   PRO  73          2HG       PRO  73  -4.939   7.662  -9.622
  466   2HG   PRO  73          1HG       PRO  73  -6.404   6.670  -9.535
  467   1HD   PRO  73          2HD       PRO  73  -6.029   9.187  -8.311
  468   2HD   PRO  73          1HD       PRO  73  -7.334   8.039  -7.946
  469    H    GLY  74           H        GLY  74  -2.377   5.734  -7.410
  470   1HA   GLY  74          2HA       GLY  74  -0.142   6.381  -7.343
  471   2HA   GLY  74          1HA       GLY  74  -0.728   7.982  -7.793
  472    H    ALA  75           H        ALA  75   1.272   8.389  -6.237
  473    HA   ALA  75           HA       ALA  75   1.971   9.278  -4.229
  474   1HB   ALA  75          1HB       ALA  75  -0.883   9.364  -3.285
  475   2HB   ALA  75          2HB       ALA  75  -0.340  10.398  -4.604
  476   3HB   ALA  75          3HB       ALA  75   0.426  10.517  -3.027
  477    H    ASP  76           H        ASP  76   0.542   8.900  -1.667
  478    HA   ASP  76           HA       ASP  76   1.767   6.915  -0.390
  479   1HB   ASP  76          2HB       ASP  76  -1.230   7.264  -0.068
  480   2HB   ASP  76          1HB       ASP  76  -0.065   6.756   1.165
  481    H    ARG  77           H        ARG  77   1.549   4.670   0.004
  482    HA   ARG  77           HA       ARG  77  -0.491   3.008  -1.103
  483   1HB   ARG  77          2HB       ARG  77   0.648   3.701  -3.248
  484   2HB   ARG  77          1HB       ARG  77   2.119   2.936  -2.673
  485   1HG   ARG  77          2HG       ARG  77   1.145   0.781  -2.676
  486   2HG   ARG  77          1HG       ARG  77  -0.494   1.433  -2.826
  487   1HD   ARG  77          2HD       ARG  77  -0.204   0.940  -4.992
  488   2HD   ARG  77          1HD       ARG  77   0.602   2.511  -5.059
  489    HE   ARG  77           HE       ARG  77   2.670   0.858  -4.391
  490   1HH1  ARG  77          1HH1      ARG  77   0.346   0.959  -6.966
  491   2HH1  ARG  77          2HH1      ARG  77   1.173  -0.218  -7.908
  492   1HH2  ARG  77          1HH2      ARG  77   3.589  -0.891  -5.521
  493   2HH2  ARG  77          2HH2      ARG  77   2.945  -1.347  -7.058
  494    H    VAL  78           H        VAL  78  -0.202   2.197   1.067
  495    HA   VAL  78           HA       VAL  78   2.345   1.147   1.952
  496    HB   VAL  78           HB       VAL  78   0.404   1.886   3.439
  497   1HG1  VAL  78          1HG1      VAL  78  -1.404   0.400   3.810
  498   2HG1  VAL  78          2HG1      VAL  78  -0.642  -0.917   2.928
  499   3HG1  VAL  78          3HG1      VAL  78  -1.264   0.488   2.059
  500   1HG2  VAL  78          1HG2      VAL  78   2.373   0.612   4.262
  501   2HG2  VAL  78          2HG2      VAL  78   1.520  -0.894   3.912
  502   3HG2  VAL  78          3HG2      VAL  78   0.901   0.204   5.145
  503    H    VAL  79           H        VAL  79   3.070  -1.021   1.947
  504    HA   VAL  79           HA       VAL  79   1.482  -2.849   0.174
  505    HB   VAL  79           HB       VAL  79   4.290  -3.553   0.693
  506   1HG1  VAL  79          1HG1      VAL  79   3.049  -3.171  -1.983
  507   2HG1  VAL  79          2HG1      VAL  79   2.561  -4.503  -0.965
  508   3HG1  VAL  79          3HG1      VAL  79   4.203  -4.346  -1.385
  509   1HG2  VAL  79          1HG2      VAL  79   4.640  -1.163   0.583
  510   2HG2  VAL  79          2HG2      VAL  79   3.585  -1.051  -0.828
  511   3HG2  VAL  79          3HG2      VAL  79   5.134  -1.880  -0.938
  512    H    PHE  80           H        PHE  80   2.156  -5.239   0.705
  513    HA   PHE  80           HA       PHE  80   2.706  -5.878   3.432
  514   1HB   PHE  80          2HB       PHE  80   0.425  -6.481   4.112
  515   2HB   PHE  80          1HB       PHE  80   0.494  -4.791   3.696
  516    HD1  PHE  80           1HD      PHE  80  -0.098  -4.159   1.197
  517    HD2  PHE  80           2HD      PHE  80  -1.185  -7.838   3.125
  518    HE1  PHE  80           1HE      PHE  80  -1.875  -4.495  -0.475
  519    HE2  PHE  80           2HE      PHE  80  -2.968  -8.177   1.443
  520    HZ   PHE  80           HZ       PHE  80  -3.322  -6.502  -0.357
  521    H    ASN  81           H        ASN  81   1.380  -8.265   3.734
  522    HA   ASN  81           HA       ASN  81   1.967  -9.759   1.209
  523   1HB   ASN  81          2HB       ASN  81   3.270  -9.947   3.800
  524   2HB   ASN  81          1HB       ASN  81   2.530 -11.488   3.388
  525   1HD2  ASN  81          1HD2      ASN  81   4.643  -9.002   1.988
  526   2HD2  ASN  81          2HD2      ASN  81   5.519 -10.104   0.998
  527    H    GLU  82           H        GLU  82   0.894 -10.927   4.370
  528    HA   GLU  82           HA       GLU  82  -1.884 -11.212   3.481
  529   1HB   GLU  82          2HB       GLU  82  -0.856 -13.867   4.272
  530   2HB   GLU  82          1HB       GLU  82  -1.897 -13.412   2.918
  531   1HG   GLU  82          2HG       GLU  82  -0.045 -12.874   1.528
  532   2HG   GLU  82          1HG       GLU  82   1.092 -12.927   2.888
  533    H    ASN  83           H        ASN  83  -0.054 -10.224   5.768
  534    HA   ASN  83           HA       ASN  83  -1.859 -11.124   7.913
  535   1HB   ASN  83          2HB       ASN  83   0.693 -12.323   7.593
  536   2HB   ASN  83          1HB       ASN  83   0.914 -11.155   8.894
  537   1HD2  ASN  83          1HD2      ASN  83   0.393 -14.274   8.625
  538   2HD2  ASN  83          2HD2      ASN  83  -0.729 -14.523   9.914
  539    H    ASN  84           H        ASN  84  -1.279  -8.661   6.376
  540    HA   ASN  84           HA       ASN  84  -0.890  -6.426   6.717
  541   1HB   ASN  84          2HB       ASN  84  -1.908  -5.511   8.641
  542   2HB   ASN  84          1HB       ASN  84  -2.751  -7.050   8.434
  543   1HD2  ASN  84          1HD2      ASN  84  -2.829  -8.323  10.261
  544   2HD2  ASN  84          2HD2      ASN  84  -1.745  -8.178  11.599
  545    H    GLN  85           H        GLN  85   1.334  -8.428   7.258
  546    HA   GLN  85           HA       GLN  85   3.010  -7.686   9.371
  547   1HB   GLN  85          2HB       GLN  85   4.203  -8.002   6.636
  548   2HB   GLN  85          1HB       GLN  85   4.778  -8.642   8.172
  549   1HG   GLN  85          2HG       GLN  85   2.364  -9.933   7.926
  550   2HG   GLN  85          1HG       GLN  85   2.840  -9.758   6.226
  551   1HE2  GLN  85          1HE2      GLN  85   3.150 -12.130   6.205
  552   2HE2  GLN  85          2HE2      GLN  85   4.575 -12.794   6.922
  553    H    LEU  86           H        LEU  86   2.399  -6.123   6.261
  554    HA   LEU  86           HA       LEU  86   2.515  -3.911   5.742
  555   1HB   LEU  86          2HB       LEU  86   2.573  -3.714   8.478
  556   2HB   LEU  86          1HB       LEU  86   4.171  -3.068   8.096
  557    HG   LEU  86           HG       LEU  86   2.689  -1.207   8.090
  558   1HD1  LEU  86          1HD1      LEU  86   4.256  -1.522   6.098
  559   2HD1  LEU  86          2HD1      LEU  86   2.973  -0.374   5.938
  560   3HD1  LEU  86          3HD1      LEU  86   2.829  -1.944   5.148
  561   1HD2  LEU  86          1HD2      LEU  86   0.582  -1.187   6.874
  562   2HD2  LEU  86          2HD2      LEU  86   0.598  -2.571   7.966
  563   3HD2  LEU  86          3HD2      LEU  86   0.899  -2.799   6.247
  564    H    ALA  87           H        ALA  87   3.877  -3.943   4.025
  565    HA   ALA  87           HA       ALA  87   6.716  -4.588   4.283
  566   1HB   ALA  87          1HB       ALA  87   6.732  -4.583   1.987
  567   2HB   ALA  87          2HB       ALA  87   5.714  -3.173   1.861
  568   3HB   ALA  87          3HB       ALA  87   4.994  -4.740   2.206
  569    H    GLY  88           H        GLY  88   4.701  -1.713   4.079
  570   1HA   GLY  88          2HA       GLY  88   5.950   0.160   5.438
  571   2HA   GLY  88          1HA       GLY  88   7.103   0.054   4.107
  572    H    VAL  89           H        VAL  89   5.743   2.441   4.576
  573    HA   VAL  89           HA       VAL  89   3.513   2.504   2.615
  574    HB   VAL  89           HB       VAL  89   4.628   4.693   4.352
  575   1HG1  VAL  89          1HG1      VAL  89   2.169   4.524   2.607
  576   2HG1  VAL  89          2HG1      VAL  89   3.537   5.620   2.405
  577   3HG1  VAL  89          3HG1      VAL  89   2.459   5.808   3.780
  578   1HG2  VAL  89          1HG2      VAL  89   3.572   2.906   5.692
  579   2HG2  VAL  89          2HG2      VAL  89   2.196   2.915   4.630
  580   3HG2  VAL  89          3HG2      VAL  89   2.500   4.295   5.645
  581    H    ILE  90           H        ILE  90   3.907   3.065   0.544
  582    HA   ILE  90           HA       ILE  90   6.406   4.607  -0.061
  583    HB   ILE  90           HB       ILE  90   6.085   3.474  -2.381
  584   1HG1  ILE  90          2HG1      ILE  90   4.523   1.622  -0.551
  585   2HG1  ILE  90          1HG1      ILE  90   3.923   2.445  -2.005
  586   1HG2  ILE  90          1HG2      ILE  90   6.977   1.691  -0.121
  587   2HG2  ILE  90          2HG2      ILE  90   7.916   3.077  -0.671
  588   3HG2  ILE  90          3HG2      ILE  90   7.596   1.748  -1.773
  589   1HD1  ILE  90          1HD1      ILE  90   5.875   1.098  -3.141
  590   2HD1  ILE  90          2HD1      ILE  90   4.365   0.310  -2.777
  591   3HD1  ILE  90          3HD1      ILE  90   5.748   0.113  -1.710
  592    H    THR  91           H        THR  91   6.066   5.696  -2.362
  593    HA   THR  91           HA       THR  91   3.291   6.626  -2.637
  594    HB   THR  91           HB       THR  91   4.587   8.155  -1.062
  595    HG1  THR  91           1HG      THR  91   3.785   9.465  -3.457
  596   1HG2  THR  91          1HG2      THR  91   6.669   7.884  -2.622
  597   2HG2  THR  91          2HG2      THR  91   6.350   9.435  -1.859
  598   3HG2  THR  91          3HG2      THR  91   5.920   9.186  -3.548
  599    H    HIS  92           H        HIS  92   2.805   7.379  -4.726
  600    HA   HIS  92           HA       HIS  92   4.747   6.707  -6.813
  601   1HB   HIS  92          2HB       HIS  92   1.875   6.522  -6.536
  602   2HB   HIS  92          1HB       HIS  92   2.253   7.465  -7.982
  603    HD1  HIS  92           1HD      HIS  92   1.802   5.744  -9.732
  604    HD2  HIS  92           2HD      HIS  92   4.358   4.377  -6.749
  605    HE1  HIS  92           1HE      HIS  92   2.662   3.500 -10.515
  606    HE2  HIS  92           2HE      HIS  92   4.514   2.969  -8.920
  607    H    THR  93           H        THR  93   5.994   8.712  -6.252
  608    HA   THR  93           HA       THR  93   5.530  10.767  -8.131
  609    HB   THR  93           HB       THR  93   5.014  12.380  -5.829
  610    HG1  THR  93           1HG      THR  93   3.326  11.400  -4.856
  611   1HG2  THR  93          1HG2      THR  93   4.160  13.121  -7.844
  612   2HG2  THR  93          2HG2      THR  93   2.716  12.521  -7.037
  613   3HG2  THR  93          3HG2      THR  93   3.485  11.556  -8.292
  614    H    GLY  94           H        GLY  94   7.538  11.617  -8.403
  615   1HA   GLY  94          2HA       GLY  94   9.348  12.961  -7.363
  616   2HA   GLY  94          1HA       GLY  94   9.311  11.878  -5.978
  617    H    ALA  95           H        ALA  95   8.825   9.953  -8.658
  618    HA   ALA  95           HA       ALA  95  11.742   9.636  -9.208
  619   1HB   ALA  95          1HB       ALA  95   9.876   7.645  -7.996
  620   2HB   ALA  95          2HB       ALA  95  11.562   7.962  -7.637
  621   3HB   ALA  95          3HB       ALA  95  11.140   7.066  -9.089
  622    H    SER  96           H        SER  96  11.402  10.421 -11.337
  623    HA   SER  96           HA       SER  96  10.596  10.392 -13.537
  624   1HB   SER  96          2HB       SER  96  11.591   7.721 -12.767
  625   2HB   SER  96          1HB       SER  96  10.525   7.683 -14.174
  626    HG   SER  96           HG       SER  96  12.657   8.071 -14.806
  627    H    GLY  97           H        GLY  97   8.406  11.126 -13.090
  628   1HA   GLY  97          2HA       GLY  97   6.116  10.853 -13.587
  629   2HA   GLY  97          1HA       GLY  97   6.376   9.124 -13.825
  630    H    ASN  98           H        ASN  98   6.729   7.823 -11.791
  631    HA   ASN  98           HA       ASN  98   5.642   9.100  -9.337
  632   1HB   ASN  98          2HB       ASN  98   4.367   6.610  -9.443
  633   2HB   ASN  98          1HB       ASN  98   3.603   8.172  -9.626
  634   1HD2  ASN  98          1HD2      ASN  98   2.484   8.397 -11.537
  635   2HD2  ASN  98          2HD2      ASN  98   2.828   7.510 -12.979
  636    H    ASN  99           H        ASN  99   6.101   5.662 -10.232
  637    HA   ASN  99           HA       ASN  99   7.431   4.053  -9.250
  638   1HB   ASN  99          2HB       ASN  99   9.114   6.364  -9.640
  639   2HB   ASN  99          1HB       ASN  99   9.581   5.584  -8.134
  640   1HD2  ASN  99          1HD2      ASN  99   8.764   4.695 -11.519
  641   2HD2  ASN  99          2HD2      ASN  99   9.958   3.449 -11.592
  642    H    PHE 100           H        PHE 100   8.064   3.241  -7.086
  643    HA   PHE 100           HA       PHE 100   6.605   4.744  -4.962
  644   1HB   PHE 100          2HB       PHE 100   7.419   2.014  -4.274
  645   2HB   PHE 100          1HB       PHE 100   5.863   2.822  -4.139
  646    HD1  PHE 100           1HD      PHE 100   4.141   2.504  -5.696
  647    HD2  PHE 100           2HD      PHE 100   8.113   1.096  -6.541
  648    HE1  PHE 100           1HE      PHE 100   3.300   1.272  -7.680
  649    HE2  PHE 100           2HE      PHE 100   7.248  -0.160  -8.498
  650    HZ   PHE 100           HZ       PHE 100   4.832  -0.078  -9.056
  651    H    VAL 101           H        VAL 101   7.657   5.440  -3.163
  652    HA   VAL 101           HA       VAL 101  10.334   4.427  -2.554
  653    HB   VAL 101           HB       VAL 101  10.994   6.964  -2.217
  654   1HG1  VAL 101          1HG1      VAL 101  12.030   5.373  -3.817
  655   2HG1  VAL 101          2HG1      VAL 101  11.927   7.003  -4.459
  656   3HG1  VAL 101          3HG1      VAL 101  10.791   5.767  -5.000
  657   1HG2  VAL 101          1HG2      VAL 101   8.862   7.151  -4.383
  658   2HG2  VAL 101          2HG2      VAL 101   9.894   8.445  -3.789
  659   3HG2  VAL 101          3HG2      VAL 101   8.680   7.747  -2.732
  660    H    GLU 102           H        GLU 102  10.987   5.037  -0.322
  661    HA   GLU 102           HA       GLU 102   8.860   4.786   1.519
  662   1HB   GLU 102          2HB       GLU 102  10.547   5.306   3.263
  663   2HB   GLU 102          1HB       GLU 102  11.177   4.156   2.073
  664   1HG   GLU 102          2HG       GLU 102  12.326   5.996   0.889
  665   2HG   GLU 102          1HG       GLU 102  11.721   7.140   2.086
  666    H    CYS 103           H        CYS 103   7.533   6.300   2.415
  667    HA   CYS 103           HA       CYS 103   7.167   8.814   1.435
  668   1HB   CYS 103          2HB       CYS 103   6.377   7.409   3.867
  669   2HB   CYS 103          1HB       CYS 103   6.644   9.117   4.238
  670    H    THR 104           H        THR 104   8.568  10.491   1.213
  671    HA   THR 104           HA       THR 104  10.792  10.761   3.185
  672    HB   THR 104           HB       THR 104  11.393  12.654   1.388
  673    HG1  THR 104           1HG      THR 104   9.964  10.874  -0.294
  674   1HG2  THR 104          1HG2      THR 104  11.618   9.690   0.803
  675   2HG2  THR 104          2HG2      THR 104  12.714  10.623   1.827
  676   3HG2  THR 104          3HG2      THR 104  12.610  10.969   0.102
  Start of MODEL   13
    1   1H    ALA   1          1HT       ALA   1  -0.886  12.230  16.900
    2   2H    ALA   1          2HT       ALA   1  -1.680  11.115  15.859
    3   3H    ALA   1          3HT       ALA   1  -0.875  12.489  15.209
    4    HA   ALA   1           HA       ALA   1   1.237  11.656  15.971
    5   1HB   ALA   1          1HB       ALA   1  -0.402   9.258  16.847
    6   2HB   ALA   1          2HB       ALA   1   0.401  10.408  17.916
    7   3HB   ALA   1          3HB       ALA   1   1.362   9.363  16.871
    8    H    CYS   2           H        CYS   2   2.395   9.907  14.696
    9    HA   CYS   2           HA       CYS   2   1.224   8.242  12.858
   10   1HB   CYS   2          2HB       CYS   2   1.550   9.785  10.729
   11   2HB   CYS   2          1HB       CYS   2   0.061   9.809  11.665
   12    H    ASP   3           H        ASP   3   2.965   6.923  12.530
   13    HA   ASP   3           HA       ASP   3   5.661   8.051  12.593
   14   1HB   ASP   3          2HB       ASP   3   5.164   5.800  13.526
   15   2HB   ASP   3          1HB       ASP   3   4.733   5.229  11.908
   16    H    TYR   4           H        TYR   4   3.358   6.953  10.143
   17    HA   TYR   4           HA       TYR   4   5.392   7.406   8.009
   18   1HB   TYR   4          2HB       TYR   4   2.636   6.118   8.050
   19   2HB   TYR   4          1HB       TYR   4   3.469   6.510   6.540
   20    HD1  TYR   4           1HD      TYR   4   2.764   3.822   8.416
   21    HD2  TYR   4           2HD      TYR   4   6.222   5.894   6.941
   22    HE1  TYR   4           1HE      TYR   4   4.075   1.724   8.555
   23    HE2  TYR   4           2HE      TYR   4   7.539   3.807   7.087
   24    HH   TYR   4           HH       TYR   4   7.056   1.277   7.070
   25    H    THR   5           H        THR   5   5.512   9.656   7.884
   26    HA   THR   5           HA       THR   5   2.922  11.032   7.244
   27    HB   THR   5           HB       THR   5   4.827  13.009   7.913
   28    HG1  THR   5           1HG      THR   5   6.223  11.629   8.893
   29   1HG2  THR   5          1HG2      THR   5   2.889  11.776   9.826
   30   2HG2  THR   5          2HG2      THR   5   2.357  12.728   8.465
   31   3HG2  THR   5          3HG2      THR   5   3.356  13.469   9.706
   32    H    CYS   6           H        CYS   6   2.845  11.106   5.047
   33    HA   CYS   6           HA       CYS   6   5.305  11.518   3.472
   34   1HB   CYS   6          2HB       CYS   6   2.361  11.310   2.708
   35   2HB   CYS   6          1HB       CYS   6   3.667  11.482   1.526
   36    H    GLY   7           H        GLY   7   4.706  13.241   1.517
   37   1HA   GLY   7          2HA       GLY   7   5.289  15.634   1.528
   38   2HA   GLY   7          1HA       GLY   7   3.552  15.501   1.286
   39    H    SER   8           H        SER   8   2.185  15.636   3.282
   40    HA   SER   8           HA       SER   8   3.408  16.739   5.703
   41   1HB   SER   8          2HB       SER   8   1.962  18.906   5.451
   42   2HB   SER   8          1HB       SER   8   3.464  18.796   4.530
   43    HG   SER   8           HG       SER   8   0.817  18.500   3.616
   44    H    ASN   9           H        ASN   9   1.955  14.499   5.652
   45    HA   ASN   9           HA       ASN   9  -0.795  15.325   6.542
   46   1HB   ASN   9          2HB       ASN   9   0.083  12.623   5.451
   47   2HB   ASN   9          1HB       ASN   9  -1.560  13.136   5.865
   48   1HD2  ASN   9          1HD2      ASN   9  -2.487  13.072   3.789
   49   2HD2  ASN   9          2HD2      ASN   9  -1.935  14.077   2.507
   50    H    CYS  10           H        CYS  10  -1.086  12.475   7.577
   51    HA   CYS  10           HA       CYS  10   0.851  12.240   9.679
   52   1HB   CYS  10          2HB       CYS  10  -0.609  14.119  10.484
   53   2HB   CYS  10          1HB       CYS  10  -1.981  13.004  10.434
   54    H    TYR  11           H        TYR  11   0.529  10.298   8.028
   55    HA   TYR  11           HA       TYR  11  -1.721   8.536   8.802
   56   1HB   TYR  11          2HB       TYR  11   0.553   8.300   6.809
   57   2HB   TYR  11          1HB       TYR  11  -0.539   6.953   7.147
   58    HD1  TYR  11           1HD      TYR  11  -2.220   6.729   5.604
   59    HD2  TYR  11           2HD      TYR  11  -0.875  10.664   6.598
   60    HE1  TYR  11           1HE      TYR  11  -3.859   7.701   4.022
   61    HE2  TYR  11           2HE      TYR  11  -2.546  11.627   5.074
   62    HH   TYR  11           HH       TYR  11  -3.846  10.395   2.717
   63    H    SER  12           H        SER  12  -1.495   7.413  10.681
   64    HA   SER  12           HA       SER  12   1.201   6.764  11.674
   65   1HB   SER  12          2HB       SER  12  -1.073   7.476  12.981
   66   2HB   SER  12          1HB       SER  12  -1.181   5.719  13.120
   67    HG   SER  12           HG       SER  12   0.044   6.852  14.808
   68    H    SER  13           H        SER  13   2.152   4.808  11.499
   69    HA   SER  13           HA       SER  13   1.361   2.841   9.726
   70   1HB   SER  13          2HB       SER  13   3.071   1.555  10.573
   71   2HB   SER  13          1HB       SER  13   3.498   3.088  11.343
   72    HG   SER  13           HG       SER  13   3.409   1.432  12.892
   73    H    SER  14           H        SER  14   0.379   3.179  13.117
   74    HA   SER  14           HA       SER  14  -0.961   0.702  13.399
   75   1HB   SER  14          2HB       SER  14  -0.840   3.232  14.833
   76   2HB   SER  14          1HB       SER  14  -2.498   2.631  14.815
   77    HG   SER  14           HG       SER  14  -0.182   1.414  15.850
   78    H    ASP  15           H        ASP  15  -2.201   3.843  12.243
   79    HA   ASP  15           HA       ASP  15  -4.836   2.769  11.652
   80   1HB   ASP  15          2HB       ASP  15  -3.380   5.348  11.273
   81   2HB   ASP  15          1HB       ASP  15  -4.625   5.013  10.069
   82    H    VAL  16           H        VAL  16  -1.772   2.871  10.014
   83    HA   VAL  16           HA       VAL  16  -2.717   2.536   7.345
   84    HB   VAL  16           HB       VAL  16  -0.136   1.536   8.595
   85   1HG1  VAL  16          1HG1      VAL  16  -0.896   2.015   5.702
   86   2HG1  VAL  16          2HG1      VAL  16  -0.642   0.435   6.441
   87   3HG1  VAL  16          3HG1      VAL  16   0.696   1.564   6.299
   88   1HG2  VAL  16          1HG2      VAL  16  -0.460   3.979   8.809
   89   2HG2  VAL  16          2HG2      VAL  16  -0.759   4.096   7.099
   90   3HG2  VAL  16          3HG2      VAL  16   0.821   3.605   7.691
   91    H    SER  17           H        SER  17  -2.210   0.335  10.046
   92    HA   SER  17           HA       SER  17  -2.342  -2.122   8.627
   93   1HB   SER  17          2HB       SER  17  -1.729  -1.759  11.074
   94   2HB   SER  17          1HB       SER  17  -3.461  -1.664  11.410
   95    HG   SER  17           HG       SER  17  -1.940  -3.852  10.477
   96    H    THR  18           H        THR  18  -4.938  -0.135  10.107
   97    HA   THR  18           HA       THR  18  -7.076  -1.900   9.437
   98    HB   THR  18           HB       THR  18  -8.217   0.639   9.222
   99    HG1  THR  18           1HG      THR  18  -7.041   2.015  10.443
  100   1HG2  THR  18          1HG2      THR  18  -8.911  -1.166  10.745
  101   2HG2  THR  18          2HG2      THR  18  -8.758   0.374  11.588
  102   3HG2  THR  18          3HG2      THR  18  -7.501  -0.850  11.762
  103    H    ALA  19           H        ALA  19  -5.728   0.879   7.648
  104    HA   ALA  19           HA       ALA  19  -7.390   0.424   5.315
  105   1HB   ALA  19          1HB       ALA  19  -5.771   1.977   4.206
  106   2HB   ALA  19          2HB       ALA  19  -4.805   1.906   5.686
  107   3HB   ALA  19          3HB       ALA  19  -6.412   2.620   5.726
  108    H    GLN  20           H        GLN  20  -4.639  -1.160   6.594
  109    HA   GLN  20           HA       GLN  20  -3.599  -2.034   4.062
  110   1HB   GLN  20          2HB       GLN  20  -2.590  -1.981   6.664
  111   2HB   GLN  20          1HB       GLN  20  -2.844  -3.691   6.401
  112   1HG   GLN  20          2HG       GLN  20  -1.089  -1.776   4.887
  113   2HG   GLN  20          1HG       GLN  20  -0.675  -3.336   5.614
  114   1HE2  GLN  20          1HE2      GLN  20  -1.777  -1.817   2.723
  115   2HE2  GLN  20          2HE2      GLN  20  -2.143  -3.232   1.860
  116    H    ALA  21           H        ALA  21  -5.796  -3.235   6.530
  117    HA   ALA  21           HA       ALA  21  -6.043  -5.896   5.360
  118   1HB   ALA  21          1HB       ALA  21  -7.946  -6.129   6.920
  119   2HB   ALA  21          2HB       ALA  21  -7.826  -4.412   7.316
  120   3HB   ALA  21          3HB       ALA  21  -6.512  -5.508   7.739
  121    H    ALA  22           H        ALA  22  -7.222  -2.766   4.614
  122    HA   ALA  22           HA       ALA  22  -9.764  -3.522   3.475
  123   1HB   ALA  22          1HB       ALA  22  -9.980  -1.312   3.113
  124   2HB   ALA  22          2HB       ALA  22  -8.402  -1.137   2.363
  125   3HB   ALA  22          3HB       ALA  22  -8.557  -1.140   4.113
  126    H    GLY  23           H        GLY  23  -6.454  -3.057   2.205
  127   1HA   GLY  23          2HA       GLY  23  -7.261  -3.773  -0.527
  128   2HA   GLY  23          1HA       GLY  23  -5.618  -3.495   0.043
  129    H    TYR  24           H        TYR  24  -5.815  -5.338   2.270
  130    HA   TYR  24           HA       TYR  24  -4.975  -7.695   0.894
  131   1HB   TYR  24          2HB       TYR  24  -4.131  -7.121   3.138
  132   2HB   TYR  24          1HB       TYR  24  -5.761  -7.296   3.807
  133    HD1  TYR  24           1HD      TYR  24  -5.378  -9.092   5.326
  134    HD2  TYR  24           2HD      TYR  24  -4.221  -9.468   1.201
  135    HE1  TYR  24           1HE      TYR  24  -4.981 -11.518   5.649
  136    HE2  TYR  24           2HE      TYR  24  -3.837 -11.877   1.520
  137    HH   TYR  24           HH       TYR  24  -4.992 -13.682   3.705
  138    H    GLN  25           H        GLN  25  -7.990  -6.820   2.574
  139    HA   GLN  25           HA       GLN  25  -9.228  -9.378   2.397
  140   1HB   GLN  25          2HB       GLN  25  -9.987  -6.771   3.262
  141   2HB   GLN  25          1HB       GLN  25 -11.172  -7.212   2.057
  142   1HG   GLN  25          2HG       GLN  25 -12.207  -8.419   3.589
  143   2HG   GLN  25          1HG       GLN  25 -10.858  -9.556   3.577
  144   1HE2  GLN  25          1HE2      GLN  25 -12.315  -6.871   5.319
  145   2HE2  GLN  25          2HE2      GLN  25 -11.283  -7.004   6.699
  146    H    LEU  26           H        LEU  26  -9.975  -6.533   0.339
  147    HA   LEU  26           HA       LEU  26 -11.388  -7.810  -1.660
  148   1HB   LEU  26          2HB       LEU  26  -9.721  -5.394  -1.455
  149   2HB   LEU  26          1HB       LEU  26  -9.671  -6.067  -3.080
  150    HG   LEU  26           HG       LEU  26 -11.524  -4.400  -2.708
  151   1HD1  LEU  26          1HD1      LEU  26 -12.395  -7.227  -3.373
  152   2HD1  LEU  26          2HD1      LEU  26 -11.575  -6.136  -4.468
  153   3HD1  LEU  26          3HD1      LEU  26 -13.186  -5.738  -3.881
  154   1HD2  LEU  26          1HD2      LEU  26 -13.312  -4.872  -1.295
  155   2HD2  LEU  26          2HD2      LEU  26 -11.940  -5.385  -0.323
  156   3HD2  LEU  26          3HD2      LEU  26 -12.930  -6.583  -1.162
  157    H    HIS  27           H        HIS  27  -7.872  -7.616  -1.361
  158    HA   HIS  27           HA       HIS  27  -7.082  -8.856  -3.718
  159   1HB   HIS  27          2HB       HIS  27  -5.401  -8.027  -2.208
  160   2HB   HIS  27          1HB       HIS  27  -5.934  -9.093  -0.928
  161    HD1  HIS  27           1HD      HIS  27  -5.555 -10.339  -4.446
  162    HD2  HIS  27           2HD      HIS  27  -3.502 -10.514  -0.818
  163    HE1  HIS  27           1HE      HIS  27  -3.767 -12.092  -4.724
  164    HE2  HIS  27           2HE      HIS  27  -2.719 -12.393  -2.442
  165    H    GLU  28           H        GLU  28  -7.347 -10.692  -0.647
  166    HA   GLU  28           HA       GLU  28  -7.531 -13.192  -2.131
  167   1HB   GLU  28          2HB       GLU  28  -7.061 -12.372   0.606
  168   2HB   GLU  28          1HB       GLU  28  -8.350 -13.575   0.604
  169   1HG   GLU  28          2HG       GLU  28  -5.700 -13.915  -0.841
  170   2HG   GLU  28          1HG       GLU  28  -6.062 -14.552   0.770
  171    H    ASP  29           H        ASP  29  -9.783 -10.842  -1.727
  172    HA   ASP  29           HA       ASP  29 -12.050 -12.534  -1.043
  173   1HB   ASP  29          2HB       ASP  29 -11.589  -9.667  -1.565
  174   2HB   ASP  29          1HB       ASP  29 -13.156 -10.233  -2.051
  175    H    GLY  30           H        GLY  30 -10.461 -11.370  -3.969
  176   1HA   GLY  30          2HA       GLY  30 -10.713 -12.481  -6.069
  177   2HA   GLY  30          1HA       GLY  30 -12.267 -13.133  -5.556
  178    H    GLU  31           H        GLU  31 -12.694 -10.160  -4.500
  179    HA   GLU  31           HA       GLU  31 -14.079  -9.317  -6.936
  180   1HB   GLU  31          2HB       GLU  31 -14.776  -9.098  -4.360
  181   2HB   GLU  31          1HB       GLU  31 -13.918  -7.610  -4.478
  182   1HG   GLU  31          2HG       GLU  31 -15.867  -6.763  -5.202
  183   2HG   GLU  31          1HG       GLU  31 -15.352  -7.407  -6.767
  184    H    THR  32           H        THR  32 -13.667  -6.394  -6.241
  185    HA   THR  32           HA       THR  32 -10.836  -5.919  -6.611
  186    HB   THR  32           HB       THR  32 -12.361  -4.700  -8.856
  187    HG1  THR  32           1HG      THR  32 -12.788  -6.551  -9.924
  188   1HG2  THR  32          1HG2      THR  32  -9.735  -5.137  -8.254
  189   2HG2  THR  32          2HG2      THR  32 -10.397  -4.841  -9.870
  190   3HG2  THR  32          3HG2      THR  32 -10.066  -6.484  -9.348
  191    H    VAL  33           H        VAL  33 -10.856  -3.356  -7.469
  192    HA   VAL  33           HA       VAL  33 -12.189  -1.990  -5.226
  193    HB   VAL  33           HB       VAL  33 -11.047   0.081  -6.456
  194   1HG1  VAL  33          1HG1      VAL  33 -10.426  -0.994  -4.270
  195   2HG1  VAL  33          2HG1      VAL  33  -9.084  -0.307  -5.172
  196   3HG1  VAL  33          3HG1      VAL  33  -9.337  -2.055  -5.171
  197   1HG2  VAL  33          1HG2      VAL  33  -9.286  -0.437  -7.924
  198   2HG2  VAL  33          2HG2      VAL  33 -10.542  -1.538  -8.480
  199   3HG2  VAL  33          3HG2      VAL  33  -9.284  -2.104  -7.421
  200    H    GLY  34           H        GLY  34 -11.972  -0.291  -8.308
  201   1HA   GLY  34          2HA       GLY  34 -14.951  -0.213  -8.393
  202   2HA   GLY  34          1HA       GLY  34 -13.888   1.109  -8.861
  203    H    SER  35           H        SER  35 -12.025  -0.994 -10.138
  204    HA   SER  35           HA       SER  35 -13.248  -2.442 -12.149
  205   1HB   SER  35          2HB       SER  35 -13.547   0.458 -12.595
  206   2HB   SER  35          1HB       SER  35 -12.713  -0.335 -13.917
  207    HG   SER  35           HG       SER  35 -15.292  -0.846 -12.936
  208    H    ASN  36           H        ASN  36 -10.723   0.024 -11.640
  209    HA   ASN  36           HA       ASN  36  -8.876  -1.289 -13.487
  210   1HB   ASN  36          2HB       ASN  36  -8.604   0.928 -11.426
  211   2HB   ASN  36          1HB       ASN  36  -7.219   0.336 -12.356
  212   1HD2  ASN  36          1HD2      ASN  36  -8.249   3.015 -12.583
  213   2HD2  ASN  36          2HD2      ASN  36  -8.851   3.174 -14.194
  214    H    SER  37           H        SER  37  -9.901  -1.962 -10.309
  215    HA   SER  37           HA       SER  37  -9.123  -3.467  -8.756
  216   1HB   SER  37          2HB       SER  37  -8.026  -5.371  -9.558
  217   2HB   SER  37          1HB       SER  37  -8.659  -4.720 -11.078
  218    HG   SER  37           HG       SER  37  -6.481  -5.110 -11.332
  219    H    TYR  38           H        TYR  38  -7.693  -3.193  -7.062
  220    HA   TYR  38           HA       TYR  38  -5.217  -1.661  -7.673
  221   1HB   TYR  38          2HB       TYR  38  -7.342  -0.843  -6.113
  222   2HB   TYR  38          1HB       TYR  38  -6.136  -1.324  -4.917
  223    HD1  TYR  38           1HD      TYR  38  -3.595  -0.712  -5.968
  224    HD2  TYR  38           2HD      TYR  38  -7.268   1.432  -6.525
  225    HE1  TYR  38           1HE      TYR  38  -2.309   1.338  -6.436
  226    HE2  TYR  38           2HE      TYR  38  -5.990   3.488  -6.990
  227    HH   TYR  38           HH       TYR  38  -3.000   3.677  -7.898
  228    HA   PRO  39           HA       PRO  39  -3.918  -4.604  -4.146
  229   1HB   PRO  39          2HB       PRO  39  -5.396  -6.855  -3.765
  230   2HB   PRO  39          1HB       PRO  39  -5.660  -5.344  -2.902
  231   1HG   PRO  39          2HG       PRO  39  -7.284  -6.567  -5.084
  232   2HG   PRO  39          1HG       PRO  39  -7.780  -5.424  -3.826
  233   1HD   PRO  39          2HD       PRO  39  -7.192  -4.847  -6.536
  234   2HD   PRO  39          1HD       PRO  39  -7.497  -3.661  -5.236
  235    H    HIS  40           H        HIS  40  -2.179  -5.141  -5.526
  236    HA   HIS  40           HA       HIS  40  -2.394  -7.867  -6.739
  237   1HB   HIS  40          2HB       HIS  40  -0.645  -6.326  -8.433
  238   2HB   HIS  40          1HB       HIS  40  -2.153  -7.147  -8.850
  239    HD1  HIS  40           1HD      HIS  40  -4.379  -5.749  -8.498
  240    HD2  HIS  40           2HD      HIS  40  -0.849  -3.588  -8.497
  241    HE1  HIS  40           1HE      HIS  40  -4.969  -3.379  -8.922
  242    HE2  HIS  40           2HE      HIS  40  -2.858  -2.060  -9.058
  243    H    LYS  41           H        LYS  41  -0.617  -9.111  -6.332
  244    HA   LYS  41           HA       LYS  41   1.275  -8.397  -4.429
  245   1HB   LYS  41          2HB       LYS  41   1.181 -10.691  -4.873
  246   2HB   LYS  41          1HB       LYS  41   1.292 -10.451  -6.591
  247   1HG   LYS  41          2HG       LYS  41   3.653  -9.472  -5.078
  248   2HG   LYS  41          1HG       LYS  41   3.330 -11.178  -4.894
  249   1HD   LYS  41          2HD       LYS  41   2.988 -10.446  -7.684
  250   2HD   LYS  41          1HD       LYS  41   4.548  -9.881  -7.086
  251   1HE   LYS  41          2HE       LYS  41   3.696 -12.670  -6.357
  252   2HE   LYS  41          1HE       LYS  41   4.234 -12.343  -8.006
  253   1HZ   LYS  41          1HZ       LYS  41   5.751 -11.917  -5.503
  254   2HZ   LYS  41          2HZ       LYS  41   6.235 -11.243  -6.966
  255   3HZ   LYS  41          3HZ       LYS  41   6.150 -12.916  -6.803
  256    H    TYR  42           H        TYR  42   3.115  -7.142  -4.441
  257    HA   TYR  42           HA       TYR  42   4.060  -6.160  -7.087
  258   1HB   TYR  42          2HB       TYR  42   3.255  -4.285  -5.876
  259   2HB   TYR  42          1HB       TYR  42   3.937  -4.862  -4.354
  260    HD1  TYR  42           1HD      TYR  42   5.501  -3.259  -3.688
  261    HD2  TYR  42           2HD      TYR  42   5.455  -4.596  -7.770
  262    HE1  TYR  42           1HE      TYR  42   7.579  -1.981  -4.130
  263    HE2  TYR  42           2HE      TYR  42   7.538  -3.334  -8.211
  264    HH   TYR  42           HH       TYR  42   8.643  -1.068  -6.946
  265    H    ASN  43           H        ASN  43   6.263  -6.374  -7.532
  266    HA   ASN  43           HA       ASN  43   7.779  -8.147  -5.742
  267   1HB   ASN  43          2HB       ASN  43   7.976  -7.229  -8.571
  268   2HB   ASN  43          1HB       ASN  43   9.527  -7.505  -7.774
  269   1HD2  ASN  43          1HD2      ASN  43   6.625  -9.095  -8.913
  270   2HD2  ASN  43          2HD2      ASN  43   7.248 -10.688  -8.677
  271    H    ASN  44           H        ASN  44   9.360  -5.531  -7.523
  272    HA   ASN  44           HA       ASN  44   9.689  -3.668  -5.471
  273   1HB   ASN  44          2HB       ASN  44  11.219  -6.099  -5.007
  274   2HB   ASN  44          1HB       ASN  44  12.286  -4.711  -5.186
  275   1HD2  ASN  44          1HD2      ASN  44  12.131  -2.997  -3.654
  276   2HD2  ASN  44          2HD2      ASN  44  11.360  -3.266  -2.149
  277    H    TYR  45           H        TYR  45  11.102  -1.962  -6.150
  278    HA   TYR  45           HA       TYR  45  12.712  -2.459  -8.606
  279   1HB   TYR  45          2HB       TYR  45  10.476  -0.425  -8.262
  280   2HB   TYR  45          1HB       TYR  45  11.753  -0.196  -9.468
  281    HD1  TYR  45           1HD      TYR  45  12.261  -2.919 -10.431
  282    HD2  TYR  45           2HD      TYR  45   8.554  -0.948  -9.503
  283    HE1  TYR  45           1HE      TYR  45  11.080  -4.409 -12.005
  284    HE2  TYR  45           2HE      TYR  45   7.370  -2.438 -11.092
  285    HH   TYR  45           HH       TYR  45   8.482  -3.948 -13.410
  286    H    GLU  46           H        GLU  46  11.761   0.455  -6.795
  287    HA   GLU  46           HA       GLU  46  14.095   1.840  -6.922
  288   1HB   GLU  46          2HB       GLU  46  11.791   1.970  -5.407
  289   2HB   GLU  46          1HB       GLU  46  13.035   1.723  -4.181
  290   1HG   GLU  46          2HG       GLU  46  13.870   3.674  -6.188
  291   2HG   GLU  46          1HG       GLU  46  12.334   4.113  -5.438
  292    H    GLY  47           H        GLY  47  13.457  -0.932  -4.784
  293   1HA   GLY  47          2HA       GLY  47  15.229  -2.456  -4.184
  294   2HA   GLY  47          1HA       GLY  47  16.406  -1.153  -4.314
  295    H    PHE  48           H        PHE  48  13.397  -1.860  -2.487
  296    HA   PHE  48           HA       PHE  48  14.469  -0.336  -0.181
  297   1HB   PHE  48          2HB       PHE  48  11.872  -1.862  -0.290
  298   2HB   PHE  48          1HB       PHE  48  12.278  -0.493   0.744
  299    HD1  PHE  48           1HD      PHE  48  10.610  -1.429  -2.220
  300    HD2  PHE  48           2HD      PHE  48  13.000   1.705  -0.536
  301    HE1  PHE  48           1HE      PHE  48   9.702   0.131  -3.889
  302    HE2  PHE  48           2HE      PHE  48  12.089   3.282  -2.217
  303    HZ   PHE  48           HZ       PHE  48  10.444   2.485  -3.885
  304    H    ASP  49           H        ASP  49  13.497  -1.764   1.963
  305    HA   ASP  49           HA       ASP  49  14.829  -4.429   1.690
  306   1HB   ASP  49          2HB       ASP  49  15.638  -2.207   3.306
  307   2HB   ASP  49          1HB       ASP  49  14.985  -3.425   4.407
  308    H    PHE  50           H        PHE  50  12.364  -2.503   3.402
  309    HA   PHE  50           HA       PHE  50  10.524  -3.231   4.636
  310   1HB   PHE  50          2HB       PHE  50  10.606  -5.465   2.575
  311   2HB   PHE  50          1HB       PHE  50   9.176  -4.912   3.479
  312    HD1  PHE  50           1HD      PHE  50  10.012  -4.963   0.341
  313    HD2  PHE  50           2HD      PHE  50   9.599  -1.959   3.374
  314    HE1  PHE  50           1HE      PHE  50   9.517  -3.272  -1.396
  315    HE2  PHE  50           2HE      PHE  50   9.123  -0.271   1.646
  316    HZ   PHE  50           HZ       PHE  50   9.066  -0.924  -0.735
  317    H    SER  51           H        SER  51   9.537  -5.683   5.330
  318    HA   SER  51           HA       SER  51  11.599  -7.534   6.161
  319   1HB   SER  51          2HB       SER  51  11.118  -5.235   7.844
  320   2HB   SER  51          1HB       SER  51  10.583  -6.673   8.706
  321    HG   SER  51           HG       SER  51  13.138  -6.045   7.716
  322    H    VAL  52           H        VAL  52   8.937  -7.540   4.876
  323    HA   VAL  52           HA       VAL  52   7.371  -9.072   6.915
  324    HB   VAL  52           HB       VAL  52   6.315  -8.063   4.270
  325   1HG1  VAL  52          1HG1      VAL  52   5.014  -9.773   5.456
  326   2HG1  VAL  52          2HG1      VAL  52   4.179  -8.223   5.448
  327   3HG1  VAL  52          3HG1      VAL  52   5.015  -8.765   6.904
  328   1HG2  VAL  52          1HG2      VAL  52   7.214  -6.117   5.467
  329   2HG2  VAL  52          2HG2      VAL  52   6.354  -6.614   6.926
  330   3HG2  VAL  52          3HG2      VAL  52   5.459  -6.125   5.488
  331    H    SER  53           H        SER  53   7.744  -9.141   3.327
  332    HA   SER  53           HA       SER  53   8.761 -11.862   3.392
  333   1HB   SER  53          2HB       SER  53   5.887 -11.407   2.500
  334   2HB   SER  53          1HB       SER  53   6.793 -12.910   2.291
  335    HG   SER  53           HG       SER  53   6.797 -13.248   4.437
  336    H    SER  54           H        SER  54   8.510 -12.780   0.992
  337    HA   SER  54           HA       SER  54   9.752 -10.777  -0.731
  338   1HB   SER  54          2HB       SER  54   8.900 -13.345  -1.977
  339   2HB   SER  54          1HB       SER  54  10.458 -12.539  -1.944
  340    HG   SER  54           HG       SER  54  10.257 -14.556  -0.694
  341    HA   PRO  55           HA       PRO  55   5.780 -11.438  -3.317
  342   1HB   PRO  55          2HB       PRO  55   3.722 -12.833  -2.162
  343   2HB   PRO  55          1HB       PRO  55   5.005 -13.571  -3.113
  344   1HG   PRO  55          2HG       PRO  55   4.624 -13.600  -0.147
  345   2HG   PRO  55          1HG       PRO  55   5.415 -14.798  -1.186
  346   1HD   PRO  55          2HD       PRO  55   6.666 -12.859   0.388
  347   2HD   PRO  55          1HD       PRO  55   7.447 -13.845  -0.833
  348    H    TYR  56           H        TYR  56   5.921  -9.186  -2.550
  349    HA   TYR  56           HA       TYR  56   4.171  -8.340  -0.366
  350   1HB   TYR  56          2HB       TYR  56   5.841  -6.921  -2.441
  351   2HB   TYR  56          1HB       TYR  56   4.768  -6.019  -1.433
  352    HD1  TYR  56           1HD      TYR  56   8.017  -7.162  -1.722
  353    HD2  TYR  56           2HD      TYR  56   4.889  -6.691   1.173
  354    HE1  TYR  56           1HE      TYR  56   9.696  -7.192   0.101
  355    HE2  TYR  56           2HE      TYR  56   6.556  -6.703   2.987
  356    HH   TYR  56           HH       TYR  56   9.499  -7.877   2.801
  357    H    TYR  57           H        TYR  57   2.828  -6.175  -1.228
  358    HA   TYR  57           HA       TYR  57   1.337  -6.704  -3.681
  359   1HB   TYR  57          2HB       TYR  57   0.104  -6.922  -0.944
  360   2HB   TYR  57          1HB       TYR  57  -0.865  -6.689  -2.415
  361    HD1  TYR  57           1HD      TYR  57   1.497  -8.975  -0.681
  362    HD2  TYR  57           2HD      TYR  57  -1.353  -8.502  -3.858
  363    HE1  TYR  57           1HE      TYR  57   1.548 -11.416  -1.088
  364    HE2  TYR  57           2HE      TYR  57  -1.303 -10.948  -4.264
  365    HH   TYR  57           HH       TYR  57  -0.469 -13.135  -2.328
  366    H    GLU  58           H        GLU  58  -0.117  -4.885  -4.186
  367    HA   GLU  58           HA       GLU  58   0.741  -2.430  -2.681
  368   1HB   GLU  58          2HB       GLU  58   0.102  -1.338  -5.008
  369   2HB   GLU  58          1HB       GLU  58   1.695  -2.077  -4.751
  370   1HG   GLU  58          2HG       GLU  58   0.802  -4.164  -5.747
  371   2HG   GLU  58          1HG       GLU  58  -0.708  -3.315  -6.099
  372    H    TRP  59           H        TRP  59  -0.800  -1.062  -2.025
  373    HA   TRP  59           HA       TRP  59  -3.515  -1.095  -3.059
  374   1HB   TRP  59          2HB       TRP  59  -3.830  -2.911  -1.546
  375   2HB   TRP  59          1HB       TRP  59  -2.827  -2.157  -0.300
  376    HD1  TRP  59           HD       TRP  59  -3.925  -0.405   1.261
  377    HE1  TRP  59           1HE      TRP  59  -6.356   0.321   1.679
  378    HE3  TRP  59           3HE      TRP  59  -6.178  -2.559  -2.789
  379    HZ2  TRP  59           2HZ      TRP  59  -8.943   0.003   0.438
  380    HZ3  TRP  59           3HZ      TRP  59  -8.614  -2.333  -3.129
  381    HH2  TRP  59           HH       TRP  59  -9.995  -1.058  -1.543
  382    HA   PRO  60           HA       PRO  60  -2.762   3.106  -1.805
  383   1HB   PRO  60          2HB       PRO  60  -5.339   4.044  -2.003
  384   2HB   PRO  60          1HB       PRO  60  -4.267   3.766  -3.373
  385   1HG   PRO  60          2HG       PRO  60  -6.504   2.056  -2.381
  386   2HG   PRO  60          1HG       PRO  60  -6.001   2.329  -4.041
  387   1HD   PRO  60          2HD       PRO  60  -5.410   0.085  -2.575
  388   2HD   PRO  60          1HD       PRO  60  -4.451   0.618  -3.897
  389    H    ILE  61           H        ILE  61  -2.785   4.267   0.068
  390    HA   ILE  61           HA       ILE  61  -4.376   3.134   2.334
  391    HB   ILE  61           HB       ILE  61  -2.085   2.935   2.882
  392   1HG1  ILE  61          2HG1      ILE  61  -1.756   4.481   4.726
  393   2HG1  ILE  61          1HG1      ILE  61  -2.864   5.651   4.006
  394   1HG2  ILE  61          1HG2      ILE  61  -1.794   5.659   1.590
  395   2HG2  ILE  61          2HG2      ILE  61  -1.025   4.137   1.145
  396   3HG2  ILE  61          3HG2      ILE  61  -0.537   4.963   2.611
  397   1HD1  ILE  61          1HD1      ILE  61  -4.357   3.317   4.160
  398   2HD1  ILE  61          2HD1      ILE  61  -4.460   4.674   5.236
  399   3HD1  ILE  61          3HD1      ILE  61  -3.426   3.334   5.620
  400    H    LEU  62           H        LEU  62  -5.730   4.562   3.492
  401    HA   LEU  62           HA       LEU  62  -5.702   7.426   2.622
  402   1HB   LEU  62          2HB       LEU  62  -8.254   6.128   3.518
  403   2HB   LEU  62          1HB       LEU  62  -7.981   7.415   2.332
  404    HG   LEU  62           HG       LEU  62  -7.439   4.449   1.938
  405   1HD1  LEU  62          1HD1      LEU  62  -9.116   4.685   0.163
  406   2HD1  LEU  62          2HD1      LEU  62  -9.340   6.384   0.585
  407   3HD1  LEU  62          3HD1      LEU  62  -9.791   5.121   1.730
  408   1HD2  LEU  62          1HD2      LEU  62  -5.968   5.019   0.333
  409   2HD2  LEU  62          2HD2      LEU  62  -6.154   6.738   0.705
  410   3HD2  LEU  62          3HD2      LEU  62  -7.192   5.979  -0.443
  411    H    SER  63           H        SER  63  -6.684   8.898   4.242
  412    HA   SER  63           HA       SER  63  -6.471   7.845   7.045
  413   1HB   SER  63          2HB       SER  63  -4.396   8.981   6.770
  414   2HB   SER  63          1HB       SER  63  -5.161  10.295   5.858
  415    HG   SER  63           HG       SER  63  -5.250   9.754   8.612
  416    H    SER  64           H        SER  64  -8.743   8.561   5.184
  417    HA   SER  64           HA       SER  64 -10.192  10.242   7.139
  418   1HB   SER  64          2HB       SER  64  -9.362  11.156   4.430
  419   2HB   SER  64          1HB       SER  64 -11.059  11.442   4.829
  420    HG   SER  64           HG       SER  64  -8.751  12.414   6.116
  421    H    GLY  65           H        GLY  65 -10.362   8.570   3.970
  422   1HA   GLY  65          2HA       GLY  65 -13.222   8.055   4.274
  423   2HA   GLY  65          1HA       GLY  65 -12.167   7.413   3.013
  424    H    ASP  66           H        ASP  66 -11.354   5.345   3.247
  425    HA   ASP  66           HA       ASP  66 -10.896   3.987   5.669
  426   1HB   ASP  66          2HB       ASP  66 -13.633   4.315   5.439
  427   2HB   ASP  66          1HB       ASP  66 -13.426   2.786   4.623
  428    H    VAL  67           H        VAL  67 -12.622   3.089   2.631
  429    HA   VAL  67           HA       VAL  67 -10.289   1.302   2.015
  430    HB   VAL  67           HB       VAL  67 -13.186   0.663   1.360
  431   1HG1  VAL  67          1HG1      VAL  67 -11.596  -0.465  -0.056
  432   2HG1  VAL  67          2HG1      VAL  67 -12.165  -1.638   1.124
  433   3HG1  VAL  67          3HG1      VAL  67 -10.590  -0.896   1.307
  434   1HG2  VAL  67          1HG2      VAL  67 -11.504  -0.102   3.762
  435   2HG2  VAL  67          2HG2      VAL  67 -12.917  -1.023   3.251
  436   3HG2  VAL  67          3HG2      VAL  67 -13.091   0.656   3.740
  437    H    TYR  68           H        TYR  68  -9.411   1.799   0.065
  438    HA   TYR  68           HA       TYR  68 -10.458   3.836  -1.616
  439   1HB   TYR  68          2HB       TYR  68  -8.037   2.818  -1.437
  440   2HB   TYR  68          1HB       TYR  68  -8.589   1.698  -2.694
  441    HD1  TYR  68           1HD      TYR  68  -9.612   2.683  -4.819
  442    HD2  TYR  68           2HD      TYR  68  -7.379   5.001  -1.998
  443    HE1  TYR  68           1HE      TYR  68  -9.230   4.416  -6.548
  444    HE2  TYR  68           2HE      TYR  68  -7.005   6.754  -3.707
  445    HH   TYR  68           HH       TYR  68  -8.670   7.221  -6.273
  446    H    SER  69           H        SER  69 -11.823   3.721  -3.397
  447    HA   SER  69           HA       SER  69 -12.366   1.175  -4.736
  448   1HB   SER  69          2HB       SER  69 -14.953   1.547  -4.158
  449   2HB   SER  69          1HB       SER  69 -13.895   0.666  -3.058
  450    HG   SER  69           HG       SER  69 -15.148   2.345  -2.037
  451    H    GLY  70           H        GLY  70 -11.363   3.371  -5.919
  452   1HA   GLY  70          2HA       GLY  70 -12.316   4.068  -8.165
  453   2HA   GLY  70          1HA       GLY  70 -13.703   4.691  -7.277
  454    H    GLY  71           H        GLY  71 -13.040   6.756  -8.372
  455   1HA   GLY  71          2HA       GLY  71 -12.279   8.947  -7.954
  456   2HA   GLY  71          1HA       GLY  71 -11.427   8.365  -6.522
  457    H    SER  72           H        SER  72  -9.558   9.643  -7.233
  458    HA   SER  72           HA       SER  72  -8.110   8.374  -9.522
  459   1HB   SER  72          2HB       SER  72  -8.825  10.806  -9.760
  460   2HB   SER  72          1HB       SER  72  -7.606  11.180  -8.535
  461    HG   SER  72           HG       SER  72  -6.026  10.492  -9.891
  462    HA   PRO  73           HA       PRO  73  -5.333   7.357  -6.099
  463   1HB   PRO  73          2HB       PRO  73  -3.727   5.726  -7.589
  464   2HB   PRO  73          1HB       PRO  73  -5.268   5.236  -6.902
  465   1HG   PRO  73          2HG       PRO  73  -4.588   5.866  -9.747
  466   2HG   PRO  73          1HG       PRO  73  -5.845   4.785  -9.122
  467   1HD   PRO  73          2HD       PRO  73  -6.245   7.416 -10.096
  468   2HD   PRO  73          1HD       PRO  73  -7.413   6.447  -9.175
  469    H    GLY  74           H        GLY  74  -2.858   7.403  -5.900
  470   1HA   GLY  74          2HA       GLY  74  -0.957   8.438  -7.520
  471   2HA   GLY  74          1HA       GLY  74  -1.884   9.901  -7.176
  472    H    ALA  75           H        ALA  75   0.880   8.727  -6.273
  473    HA   ALA  75           HA       ALA  75   2.182   8.858  -4.347
  474   1HB   ALA  75          1HB       ALA  75   0.098  10.629  -3.122
  475   2HB   ALA  75          2HB       ALA  75   1.029  11.176  -4.511
  476   3HB   ALA  75          3HB       ALA  75   1.849  10.745  -3.029
  477    H    ASP  76           H        ASP  76   1.183   9.270  -1.629
  478    HA   ASP  76           HA       ASP  76   0.903   7.641   0.070
  479   1HB   ASP  76          2HB       ASP  76  -1.887   8.133  -1.029
  480   2HB   ASP  76          1HB       ASP  76  -1.471   7.699   0.637
  481    H    ARG  77           H        ARG  77   1.530   5.524  -0.118
  482    HA   ARG  77           HA       ARG  77  -0.481   3.574  -0.943
  483   1HB   ARG  77          2HB       ARG  77   1.937   4.172  -2.646
  484   2HB   ARG  77          1HB       ARG  77   1.390   2.520  -2.516
  485   1HG   ARG  77          2HG       ARG  77  -0.992   3.593  -3.041
  486   2HG   ARG  77          1HG       ARG  77   0.018   4.873  -3.709
  487   1HD   ARG  77          2HD       ARG  77  -0.462   3.388  -5.491
  488   2HD   ARG  77          1HD       ARG  77   1.231   3.117  -5.053
  489    HE   ARG  77           HE       ARG  77  -1.029   1.467  -4.102
  490   1HH1  ARG  77          1HH1      ARG  77   1.656   0.699  -5.919
  491   2HH1  ARG  77          2HH1      ARG  77   2.486  -0.204  -4.701
  492   1HH2  ARG  77          1HH2      ARG  77   0.229   0.640  -2.191
  493   2HH2  ARG  77          2HH2      ARG  77   1.621  -0.307  -2.595
  494    H    VAL  78           H        VAL  78  -0.163   1.690   0.247
  495    HA   VAL  78           HA       VAL  78   2.501   1.456   1.599
  496    HB   VAL  78           HB       VAL  78   0.494   2.206   3.053
  497   1HG1  VAL  78          1HG1      VAL  78  -1.068   0.567   3.727
  498   2HG1  VAL  78          2HG1      VAL  78  -0.152  -0.747   3.002
  499   3HG1  VAL  78          3HG1      VAL  78  -1.014   0.405   1.975
  500   1HG2  VAL  78          1HG2      VAL  78   1.226   0.323   4.793
  501   2HG2  VAL  78          2HG2      VAL  78   2.339   1.576   4.292
  502   3HG2  VAL  78          3HG2      VAL  78   2.435  -0.018   3.578
  503    H    VAL  79           H        VAL  79   3.453  -0.531   1.493
  504    HA   VAL  79           HA       VAL  79   2.041  -2.596  -0.106
  505    HB   VAL  79           HB       VAL  79   4.918  -2.200   0.729
  506   1HG1  VAL  79          1HG1      VAL  79   4.366  -4.648   0.902
  507   2HG1  VAL  79          2HG1      VAL  79   5.446  -4.303  -0.404
  508   3HG1  VAL  79          3HG1      VAL  79   3.747  -4.578  -0.720
  509   1HG2  VAL  79          1HG2      VAL  79   4.011  -2.741  -2.056
  510   2HG2  VAL  79          2HG2      VAL  79   5.304  -1.705  -1.460
  511   3HG2  VAL  79          3HG2      VAL  79   3.624  -1.173  -1.360
  512    H    PHE  80           H        PHE  80   2.291  -4.866   0.582
  513    HA   PHE  80           HA       PHE  80   2.653  -5.365   3.431
  514   1HB   PHE  80          2HB       PHE  80   0.265  -6.162   3.669
  515   2HB   PHE  80          1HB       PHE  80   0.462  -4.426   3.435
  516    HD1  PHE  80           1HD      PHE  80   0.327  -3.536   0.954
  517    HD2  PHE  80           2HD      PHE  80  -1.216  -7.316   2.276
  518    HE1  PHE  80           1HE      PHE  80  -1.110  -3.628  -1.018
  519    HE2  PHE  80           2HE      PHE  80  -2.693  -7.392   0.285
  520    HZ   PHE  80           HZ       PHE  80  -2.642  -5.543  -1.369
  521    H    ASN  81           H        ASN  81   1.706  -7.791   3.764
  522    HA   ASN  81           HA       ASN  81   2.742  -9.336   1.402
  523   1HB   ASN  81          2HB       ASN  81   4.181  -9.705   3.268
  524   2HB   ASN  81          1HB       ASN  81   2.825  -9.910   4.378
  525   1HD2  ASN  81          1HD2      ASN  81   3.337 -12.085   4.967
  526   2HD2  ASN  81          2HD2      ASN  81   3.283 -13.380   3.827
  527    H    GLU  82           H        GLU  82   0.926 -10.474   4.201
  528    HA   GLU  82           HA       GLU  82  -1.556 -10.773   2.716
  529   1HB   GLU  82          2HB       GLU  82  -1.575 -13.255   2.788
  530   2HB   GLU  82          1HB       GLU  82  -0.254 -12.652   1.778
  531   1HG   GLU  82          2HG       GLU  82   1.337 -13.366   3.156
  532   2HG   GLU  82          1HG       GLU  82   0.466 -13.051   4.652
  533    H    ASN  83           H        ASN  83  -0.324  -9.835   5.367
  534    HA   ASN  83           HA       ASN  83  -2.421 -11.036   7.079
  535   1HB   ASN  83          2HB       ASN  83   0.509 -11.353   7.396
  536   2HB   ASN  83          1HB       ASN  83  -0.254 -10.678   8.835
  537   1HD2  ASN  83          1HD2      ASN  83   0.777 -13.148   9.158
  538   2HD2  ASN  83          2HD2      ASN  83  -0.492 -14.319   9.202
  539    H    ASN  84           H        ASN  84  -2.067  -8.505   5.627
  540    HA   ASN  84           HA       ASN  84  -2.146  -6.229   5.983
  541   1HB   ASN  84          2HB       ASN  84  -3.720  -5.544   7.667
  542   2HB   ASN  84          1HB       ASN  84  -4.269  -7.120   7.087
  543   1HD2  ASN  84          1HD2      ASN  84  -4.225  -8.885   8.549
  544   2HD2  ASN  84          2HD2      ASN  84  -3.786  -8.689  10.208
  545    H    GLN  85           H        GLN  85   0.228  -7.729   7.061
  546    HA   GLN  85           HA       GLN  85   1.018  -6.561   9.560
  547   1HB   GLN  85          2HB       GLN  85   2.734  -7.557   7.245
  548   2HB   GLN  85          1HB       GLN  85   3.312  -7.262   8.896
  549   1HG   GLN  85          2HG       GLN  85   1.002  -9.112   8.383
  550   2HG   GLN  85          1HG       GLN  85   2.652  -9.657   8.130
  551   1HE2  GLN  85          1HE2      GLN  85   0.286  -8.856  10.550
  552   2HE2  GLN  85          2HE2      GLN  85   1.300  -9.222  11.901
  553    H    LEU  86           H        LEU  86   3.352  -5.828   7.120
  554    HA   LEU  86           HA       LEU  86   2.483  -3.385   6.195
  555   1HB   LEU  86          2HB       LEU  86   2.765  -3.118   8.948
  556   2HB   LEU  86          1HB       LEU  86   4.349  -2.642   8.402
  557    HG   LEU  86           HG       LEU  86   3.088  -0.638   8.436
  558   1HD1  LEU  86          1HD1      LEU  86   3.213   0.079   6.187
  559   2HD1  LEU  86          2HD1      LEU  86   2.950  -1.527   5.533
  560   3HD1  LEU  86          3HD1      LEU  86   4.467  -1.132   6.350
  561   1HD2  LEU  86          1HD2      LEU  86   0.857  -1.789   8.511
  562   2HD2  LEU  86          2HD2      LEU  86   0.966  -2.025   6.765
  563   3HD2  LEU  86          3HD2      LEU  86   0.930  -0.412   7.444
  564    H    ALA  87           H        ALA  87   3.806  -3.254   4.465
  565    HA   ALA  87           HA       ALA  87   6.607  -4.225   4.642
  566   1HB   ALA  87          1HB       ALA  87   6.628  -3.955   2.220
  567   2HB   ALA  87          2HB       ALA  87   5.099  -3.110   2.316
  568   3HB   ALA  87          3HB       ALA  87   5.160  -4.813   2.701
  569    H    GLY  88           H        GLY  88   4.775  -1.244   3.955
  570   1HA   GLY  88          2HA       GLY  88   6.398   0.567   5.229
  571   2HA   GLY  88          1HA       GLY  88   7.223   0.355   3.686
  572    H    VAL  89           H        VAL  89   5.963   2.797   4.615
  573    HA   VAL  89           HA       VAL  89   3.489   3.015   2.970
  574    HB   VAL  89           HB       VAL  89   4.914   4.879   4.872
  575   1HG1  VAL  89          1HG1      VAL  89   2.759   5.454   2.848
  576   2HG1  VAL  89          2HG1      VAL  89   4.160   6.426   3.281
  577   3HG1  VAL  89          3HG1      VAL  89   2.802   6.334   4.372
  578   1HG2  VAL  89          1HG2      VAL  89   3.491   3.176   5.887
  579   2HG2  VAL  89          2HG2      VAL  89   2.198   3.565   4.791
  580   3HG2  VAL  89          3HG2      VAL  89   2.639   4.712   5.998
  581    H    ILE  90           H        ILE  90   4.426   2.772   0.890
  582    HA   ILE  90           HA       ILE  90   6.496   4.698   0.025
  583    HB   ILE  90           HB       ILE  90   6.502   3.446  -2.020
  584   1HG1  ILE  90          2HG1      ILE  90   3.903   2.375  -0.949
  585   2HG1  ILE  90          1HG1      ILE  90   4.273   2.923  -2.571
  586   1HG2  ILE  90          1HG2      ILE  90   6.200   1.462   0.225
  587   2HG2  ILE  90          2HG2      ILE  90   7.584   2.542   0.082
  588   3HG2  ILE  90          3HG2      ILE  90   7.274   1.360  -1.175
  589   1HD1  ILE  90          1HD1      ILE  90   5.806   0.845  -2.707
  590   2HD1  ILE  90          2HD1      ILE  90   4.070   0.577  -2.699
  591   3HD1  ILE  90          3HD1      ILE  90   5.001   0.358  -1.231
  592    H    THR  91           H        THR  91   6.088   6.171  -1.811
  593    HA   THR  91           HA       THR  91   3.173   6.791  -2.139
  594    HB   THR  91           HB       THR  91   4.520   8.458  -0.767
  595    HG1  THR  91           1HG      THR  91   3.412  10.092  -1.699
  596   1HG2  THR  91          1HG2      THR  91   5.704   9.382  -3.355
  597   2HG2  THR  91          2HG2      THR  91   6.506   8.122  -2.449
  598   3HG2  THR  91          3HG2      THR  91   6.243   9.680  -1.706
  599    H    HIS  92           H        HIS  92   2.470   7.000  -4.213
  600    HA   HIS  92           HA       HIS  92   4.274   6.354  -6.396
  601   1HB   HIS  92          2HB       HIS  92   1.473   6.127  -5.908
  602   2HB   HIS  92          1HB       HIS  92   1.607   7.252  -7.250
  603    HD1  HIS  92           1HD      HIS  92   4.148   4.509  -6.866
  604    HD2  HIS  92           2HD      HIS  92   0.714   5.335  -9.088
  605    HE1  HIS  92           1HE      HIS  92   4.123   2.885  -8.794
  606    HE2  HIS  92           2HE      HIS  92   1.847   3.123  -9.865
  607    H    THR  93           H        THR  93   5.543   8.443  -5.793
  608    HA   THR  93           HA       THR  93   5.237  10.356  -7.846
  609    HB   THR  93           HB       THR  93   4.598  12.178  -5.789
  610    HG1  THR  93           1HG      THR  93   3.781  10.673  -4.416
  611   1HG2  THR  93          1HG2      THR  93   3.304  11.096  -8.238
  612   2HG2  THR  93          2HG2      THR  93   3.595  12.751  -7.719
  613   3HG2  THR  93          3HG2      THR  93   2.235  11.855  -7.059
  614    H    GLY  94           H        GLY  94   6.702  12.268  -7.520
  615   1HA   GLY  94          2HA       GLY  94   8.678  13.232  -6.691
  616   2HA   GLY  94          1HA       GLY  94   8.529  12.234  -5.243
  617    H    ALA  95           H        ALA  95   8.392  10.666  -8.358
  618    HA   ALA  95           HA       ALA  95  11.275  10.055  -8.400
  619   1HB   ALA  95          1HB       ALA  95   9.182   8.051  -7.619
  620   2HB   ALA  95          2HB       ALA  95  10.685   8.419  -6.807
  621   3HB   ALA  95          3HB       ALA  95  10.714   7.545  -8.326
  622    H    SER  96           H        SER  96   9.913  11.379 -10.331
  623    HA   SER  96           HA       SER  96   9.576  11.319 -12.633
  624   1HB   SER  96          2HB       SER  96  10.263   8.359 -12.661
  625   2HB   SER  96          1HB       SER  96  10.562   9.593 -13.883
  626    HG   SER  96           HG       SER  96  12.410   8.930 -12.540
  627    H    GLY  97           H        GLY  97   7.304  11.592 -12.475
  628   1HA   GLY  97          2HA       GLY  97   5.109  10.919 -13.006
  629   2HA   GLY  97          1HA       GLY  97   5.692   9.274 -13.269
  630    H    ASN  98           H        ASN  98   6.045   7.919 -11.351
  631    HA   ASN  98           HA       ASN  98   4.792   8.933  -8.875
  632   1HB   ASN  98          2HB       ASN  98   3.934   6.302  -9.002
  633   2HB   ASN  98          1HB       ASN  98   2.935   7.708  -9.235
  634   1HD2  ASN  98          1HD2      ASN  98   4.275   4.949 -10.789
  635   2HD2  ASN  98          2HD2      ASN  98   3.750   5.359 -12.376
  636    H    ASN  99           H        ASN  99   5.702   5.611  -9.708
  637    HA   ASN  99           HA       ASN  99   7.258   4.215  -8.811
  638   1HB   ASN  99          2HB       ASN  99   8.620   6.724  -9.323
  639   2HB   ASN  99          1HB       ASN  99   9.242   6.024  -7.826
  640   1HD2  ASN  99          1HD2      ASN  99  11.200   5.899  -9.431
  641   2HD2  ASN  99          2HD2      ASN  99  11.316   4.402 -10.274
  642    H    PHE 100           H        PHE 100   7.578   3.276  -6.807
  643    HA   PHE 100           HA       PHE 100   6.299   4.664  -4.531
  644   1HB   PHE 100          2HB       PHE 100   7.552   1.994  -4.052
  645   2HB   PHE 100          1HB       PHE 100   5.985   2.637  -3.669
  646    HD1  PHE 100           1HD      PHE 100   7.880   0.825  -6.144
  647    HD2  PHE 100           2HD      PHE 100   4.117   2.689  -5.245
  648    HE1  PHE 100           1HE      PHE 100   6.829  -0.377  -8.046
  649    HE2  PHE 100           2HE      PHE 100   3.069   1.479  -7.140
  650    HZ   PHE 100           HZ       PHE 100   4.423  -0.043  -8.546
  651    H    VAL 101           H        VAL 101   7.402   5.057  -2.532
  652    HA   VAL 101           HA       VAL 101  10.269   4.556  -2.290
  653    HB   VAL 101           HB       VAL 101  10.694   7.109  -1.986
  654   1HG1  VAL 101          1HG1      VAL 101  10.068   6.383  -4.845
  655   2HG1  VAL 101          2HG1      VAL 101  11.348   5.529  -3.972
  656   3HG1  VAL 101          3HG1      VAL 101  11.429   7.270  -4.178
  657   1HG2  VAL 101          1HG2      VAL 101   8.152   7.190  -3.663
  658   2HG2  VAL 101          2HG2      VAL 101   9.202   8.553  -3.291
  659   3HG2  VAL 101          3HG2      VAL 101   8.320   7.757  -1.999
  660    H    GLU 102           H        GLU 102  10.825   4.521  -0.128
  661    HA   GLU 102           HA       GLU 102   8.839   4.441   1.860
  662   1HB   GLU 102          2HB       GLU 102  11.799   5.081   2.108
  663   2HB   GLU 102          1HB       GLU 102  10.757   4.732   3.497
  664   1HG   GLU 102          2HG       GLU 102  10.326   2.521   2.779
  665   2HG   GLU 102          1HG       GLU 102  10.999   2.813   1.168
  666    H    CYS 103           H        CYS 103   7.643   6.030   2.780
  667    HA   CYS 103           HA       CYS 103   8.205   8.828   2.169
  668   1HB   CYS 103          2HB       CYS 103   5.996   7.271   3.338
  669   2HB   CYS 103          1HB       CYS 103   6.226   8.799   4.171
  670    H    THR 104           H        THR 104  10.318   9.048   3.180
  671    HA   THR 104           HA       THR 104  10.122   9.342   6.168
  672    HB   THR 104           HB       THR 104  11.600   7.497   5.840
  673    HG1  THR 104           1HG      THR 104  12.633   8.860   7.214
  674   1HG2  THR 104          1HG2      THR 104  13.525   7.712   4.211
  675   2HG2  THR 104          2HG2      THR 104  12.717   9.120   3.536
  676   3HG2  THR 104          3HG2      THR 104  11.936   7.540   3.483
  Start of MODEL   14
    1   1H    ALA   1          1HT       ALA   1   1.829  10.151  18.765
    2   2H    ALA   1          2HT       ALA   1   1.912  11.333  17.518
    3   3H    ALA   1          3HT       ALA   1   3.196  10.210  17.736
    4    HA   ALA   1           HA       ALA   1   1.752   8.392  17.156
    5   1HB   ALA   1          1HB       ALA   1  -0.277  10.581  16.612
    6   2HB   ALA   1          2HB       ALA   1  -0.333   9.455  17.967
    7   3HB   ALA   1          3HB       ALA   1  -0.501   8.854  16.320
    8    H    CYS   2           H        CYS   2   0.753   8.293  14.673
    9    HA   CYS   2           HA       CYS   2   1.281   8.543  12.444
   10   1HB   CYS   2          2HB       CYS   2   0.562  10.794  12.504
   11   2HB   CYS   2          1HB       CYS   2   1.961  11.317  13.433
   12    H    ASP   3           H        ASP   3   2.921   6.955  12.403
   13    HA   ASP   3           HA       ASP   3   5.712   7.970  12.784
   14   1HB   ASP   3          2HB       ASP   3   4.786   5.852  14.009
   15   2HB   ASP   3          1HB       ASP   3   4.962   5.051  12.444
   16    H    TYR   4           H        TYR   4   3.494   7.668  10.363
   17    HA   TYR   4           HA       TYR   4   5.614   6.970   8.364
   18   1HB   TYR   4          2HB       TYR   4   2.659   6.306   8.485
   19   2HB   TYR   4          1HB       TYR   4   3.494   6.383   6.926
   20    HD1  TYR   4           1HD      TYR   4   5.784   5.119   6.776
   21    HD2  TYR   4           2HD      TYR   4   2.710   4.281   9.651
   22    HE1  TYR   4           1HE      TYR   4   6.721   2.847   7.112
   23    HE2  TYR   4           2HE      TYR   4   3.641   2.006   9.990
   24    HH   TYR   4           HH       TYR   4   5.273   0.384   8.222
   25    H    THR   5           H        THR   5   5.963   9.395   8.780
   26    HA   THR   5           HA       THR   5   3.965  11.180   7.581
   27    HB   THR   5           HB       THR   5   5.442  12.952   8.154
   28    HG1  THR   5           1HG      THR   5   7.523  10.980   8.275
   29   1HG2  THR   5          1HG2      THR   5   6.542  11.469  10.327
   30   2HG2  THR   5          2HG2      THR   5   4.929  10.866  10.036
   31   3HG2  THR   5          3HG2      THR   5   5.184  12.573  10.328
   32    H    CYS   6           H        CYS   6   3.797  11.550   5.420
   33    HA   CYS   6           HA       CYS   6   6.155  10.816   3.698
   34   1HB   CYS   6          2HB       CYS   6   3.189  10.875   3.048
   35   2HB   CYS   6          1HB       CYS   6   4.485  10.455   1.912
   36    H    GLY   7           H        GLY   7   5.209  13.401   5.086
   37   1HA   GLY   7          2HA       GLY   7   6.296  15.421   3.907
   38   2HA   GLY   7          1HA       GLY   7   5.062  15.167   2.672
   39    H    SER   8           H        SER   8   2.874  15.665   3.170
   40    HA   SER   8           HA       SER   8   2.495  17.150   5.756
   41   1HB   SER   8          2HB       SER   8   0.982  17.723   3.194
   42   2HB   SER   8          1HB       SER   8   1.160  18.741   4.632
   43    HG   SER   8           HG       SER   8   3.026  18.197   2.593
   44    H    ASN   9           H        ASN   9   1.987  14.263   5.092
   45    HA   ASN   9           HA       ASN   9  -0.982  14.261   5.423
   46   1HB   ASN   9          2HB       ASN   9   0.957  12.412   4.063
   47   2HB   ASN   9          1HB       ASN   9  -0.437  11.682   4.852
   48   1HD2  ASN   9          1HD2      ASN   9  -2.440  13.587   4.381
   49   2HD2  ASN   9          2HD2      ASN   9  -2.661  13.714   2.681
   50    H    CYS  10           H        CYS  10   2.069  12.999   6.719
   51    HA   CYS  10           HA       CYS  10   2.459  11.821   8.641
   52   1HB   CYS  10          2HB       CYS  10   1.746  14.327   9.199
   53   2HB   CYS  10          1HB       CYS  10   0.381  13.547  10.002
   54    H    TYR  11           H        TYR  11   1.391   9.837   7.874
   55    HA   TYR  11           HA       TYR  11  -1.419   9.422   8.686
   56   1HB   TYR  11          2HB       TYR  11   0.560   8.036   6.952
   57   2HB   TYR  11          1HB       TYR  11  -0.520   6.951   7.835
   58    HD1  TYR  11           1HD      TYR  11  -2.899   6.923   7.445
   59    HD2  TYR  11           2HD      TYR  11  -0.347   9.681   5.372
   60    HE1  TYR  11           1HE      TYR  11  -4.690   7.408   5.859
   61    HE2  TYR  11           2HE      TYR  11  -2.188  10.202   3.791
   62    HH   TYR  11           HH       TYR  11  -5.054   9.942   4.123
   63    H    SER  12           H        SER  12  -2.097   7.903  10.223
   64    HA   SER  12           HA       SER  12  -0.256   7.547  12.465
   65   1HB   SER  12          2HB       SER  12  -3.143   7.404  12.028
   66   2HB   SER  12          1HB       SER  12  -2.561   6.092  13.047
   67    HG   SER  12           HG       SER  12  -2.381   8.855  13.480
   68    H    SER  13           H        SER  13   0.963   5.757  12.846
   69    HA   SER  13           HA       SER  13   1.170   3.632  10.981
   70   1HB   SER  13          2HB       SER  13   2.395   2.421  12.804
   71   2HB   SER  13          1HB       SER  13   2.937   4.092  12.618
   72    HG   SER  13           HG       SER  13   2.499   3.456  14.828
   73    H    SER  14           H        SER  14  -1.182   4.214  13.459
   74    HA   SER  14           HA       SER  14  -2.043   1.390  13.524
   75   1HB   SER  14          2HB       SER  14  -2.028   3.270  15.470
   76   2HB   SER  14          1HB       SER  14  -3.665   3.521  14.855
   77    HG   SER  14           HG       SER  14  -4.175   1.448  15.356
   78    H    ASP  15           H        ASP  15  -2.992   4.483  12.121
   79    HA   ASP  15           HA       ASP  15  -5.626   3.596  11.319
   80   1HB   ASP  15          2HB       ASP  15  -5.073   6.004  11.545
   81   2HB   ASP  15          1HB       ASP  15  -3.907   5.864  10.223
   82    H    VAL  16           H        VAL  16  -2.384   3.508   9.997
   83    HA   VAL  16           HA       VAL  16  -3.046   2.895   7.304
   84    HB   VAL  16           HB       VAL  16  -0.662   1.722   8.766
   85   1HG1  VAL  16          1HG1      VAL  16  -1.121   2.724   5.937
   86   2HG1  VAL  16          2HG1      VAL  16  -0.989   1.038   6.427
   87   3HG1  VAL  16          3HG1      VAL  16   0.409   2.103   6.556
   88   1HG2  VAL  16          1HG2      VAL  16  -0.167   3.813   9.377
   89   2HG2  VAL  16          2HG2      VAL  16  -1.366   4.566   8.333
   90   3HG2  VAL  16          3HG2      VAL  16   0.208   4.109   7.699
   91    H    SER  17           H        SER  17  -2.933   0.925  10.226
   92    HA   SER  17           HA       SER  17  -2.982  -1.645   9.024
   93   1HB   SER  17          2HB       SER  17  -2.621  -1.329  11.433
   94   2HB   SER  17          1HB       SER  17  -4.267  -0.713  11.618
   95    HG   SER  17           HG       SER  17  -3.402  -3.335  11.039
   96    H    THR  18           H        THR  18  -5.708   0.489   9.983
   97    HA   THR  18           HA       THR  18  -7.768  -1.312   9.180
   98    HB   THR  18           HB       THR  18  -8.827   1.221   8.640
   99    HG1  THR  18           1HG      THR  18  -7.797   2.658   9.926
  100   1HG2  THR  18          1HG2      THR  18  -9.687   1.114  10.922
  101   2HG2  THR  18          2HG2      THR  18  -8.492  -0.113  11.338
  102   3HG2  THR  18          3HG2      THR  18  -9.757  -0.475  10.159
  103    H    ALA  19           H        ALA  19  -5.993   1.175   7.365
  104    HA   ALA  19           HA       ALA  19  -7.447   0.623   4.889
  105   1HB   ALA  19          1HB       ALA  19  -6.214   2.349   3.990
  106   2HB   ALA  19          2HB       ALA  19  -4.774   1.927   4.912
  107   3HB   ALA  19          3HB       ALA  19  -6.107   2.779   5.699
  108    H    GLN  20           H        GLN  20  -4.915  -0.912   6.595
  109    HA   GLN  20           HA       GLN  20  -3.640  -1.977   4.233
  110   1HB   GLN  20          2HB       GLN  20  -2.737  -1.570   6.814
  111   2HB   GLN  20          1HB       GLN  20  -3.059  -3.287   6.829
  112   1HG   GLN  20          2HG       GLN  20  -1.141  -1.761   5.139
  113   2HG   GLN  20          1HG       GLN  20  -0.856  -3.185   6.104
  114   1HE2  GLN  20          1HE2      GLN  20  -2.027  -2.082   2.994
  115   2HE2  GLN  20          2HE2      GLN  20  -2.261  -3.633   2.339
  116    H    ALA  21           H        ALA  21  -6.113  -2.870   6.511
  117    HA   ALA  21           HA       ALA  21  -6.115  -5.701   5.722
  118   1HB   ALA  21          1HB       ALA  21  -6.759  -5.045   7.997
  119   2HB   ALA  21          2HB       ALA  21  -8.099  -5.840   7.174
  120   3HB   ALA  21          3HB       ALA  21  -8.091  -4.083   7.358
  121    H    ALA  22           H        ALA  22  -7.287  -2.776   4.419
  122    HA   ALA  22           HA       ALA  22  -9.735  -3.834   3.245
  123   1HB   ALA  22          1HB       ALA  22  -8.121  -1.346   2.596
  124   2HB   ALA  22          2HB       ALA  22  -9.471  -1.438   3.726
  125   3HB   ALA  22          3HB       ALA  22  -9.746  -1.700   2.005
  126    H    GLY  23           H        GLY  23  -6.445  -3.040   2.035
  127   1HA   GLY  23          2HA       GLY  23  -6.993  -4.102  -0.630
  128   2HA   GLY  23          1HA       GLY  23  -5.421  -3.674   0.022
  129    H    TYR  24           H        TYR  24  -6.146  -5.472   2.424
  130    HA   TYR  24           HA       TYR  24  -4.928  -7.865   1.243
  131   1HB   TYR  24          2HB       TYR  24  -4.013  -7.170   3.386
  132   2HB   TYR  24          1HB       TYR  24  -5.625  -7.029   4.066
  133    HD1  TYR  24           1HD      TYR  24  -4.255  -9.771   1.928
  134    HD2  TYR  24           2HD      TYR  24  -5.630  -8.581   5.822
  135    HE1  TYR  24           1HE      TYR  24  -4.169 -12.122   2.669
  136    HE2  TYR  24           2HE      TYR  24  -5.544 -10.944   6.569
  137    HH   TYR  24           HH       TYR  24  -5.624 -13.443   4.845
  138    H    GLN  25           H        GLN  25  -7.714  -7.373   3.439
  139    HA   GLN  25           HA       GLN  25  -8.872  -9.882   3.146
  140   1HB   GLN  25          2HB       GLN  25  -9.765  -7.266   4.004
  141   2HB   GLN  25          1HB       GLN  25 -11.046  -8.013   3.067
  142   1HG   GLN  25          2HG       GLN  25 -11.204  -9.860   4.483
  143   2HG   GLN  25          1HG       GLN  25  -9.619  -9.567   5.220
  144   1HE2  GLN  25          1HE2      GLN  25 -12.200  -7.142   4.651
  145   2HE2  GLN  25          2HE2      GLN  25 -12.390  -6.794   6.325
  146    H    LEU  26           H        LEU  26  -9.746  -7.039   1.143
  147    HA   LEU  26           HA       LEU  26 -11.381  -8.391  -0.673
  148   1HB   LEU  26          2HB       LEU  26 -10.083  -5.825  -0.535
  149   2HB   LEU  26          1HB       LEU  26  -9.775  -6.456  -2.143
  150    HG   LEU  26           HG       LEU  26 -11.860  -5.166  -2.124
  151   1HD1  LEU  26          1HD1      LEU  26 -13.292  -6.833  -3.115
  152   2HD1  LEU  26          2HD1      LEU  26 -12.438  -8.140  -2.324
  153   3HD1  LEU  26          3HD1      LEU  26 -11.635  -7.195  -3.572
  154   1HD2  LEU  26          1HD2      LEU  26 -13.712  -5.746  -0.748
  155   2HD2  LEU  26          2HD2      LEU  26 -12.327  -5.644   0.331
  156   3HD2  LEU  26          3HD2      LEU  26 -12.945  -7.219  -0.167
  157    H    HIS  27           H        HIS  27  -7.858  -7.944  -0.872
  158    HA   HIS  27           HA       HIS  27  -7.408  -9.176  -3.344
  159   1HB   HIS  27          2HB       HIS  27  -5.568  -8.136  -2.175
  160   2HB   HIS  27          1HB       HIS  27  -5.716  -9.256  -0.829
  161    HD1  HIS  27           1HD      HIS  27  -5.922 -10.401  -4.407
  162    HD2  HIS  27           2HD      HIS  27  -3.210 -10.470  -1.235
  163    HE1  HIS  27           1HE      HIS  27  -4.074 -11.975  -5.085
  164    HE2  HIS  27           2HE      HIS  27  -2.680 -12.292  -3.009
  165    H    GLU  28           H        GLU  28  -7.098 -10.869  -0.190
  166    HA   GLU  28           HA       GLU  28  -7.084 -13.449  -1.490
  167   1HB   GLU  28          2HB       GLU  28  -6.063 -12.878   0.799
  168   2HB   GLU  28          1HB       GLU  28  -7.707 -12.911   1.442
  169   1HG   GLU  28          2HG       GLU  28  -6.715 -15.076   1.790
  170   2HG   GLU  28          1HG       GLU  28  -7.953 -15.260   0.556
  171    H    ASP  29           H        ASP  29  -9.593 -11.296  -0.871
  172    HA   ASP  29           HA       ASP  29 -11.623 -13.255  -0.233
  173   1HB   ASP  29          2HB       ASP  29 -11.774 -10.812   0.375
  174   2HB   ASP  29          1HB       ASP  29 -12.015 -10.439  -1.332
  175    H    GLY  30           H        GLY  30  -9.992 -12.284  -3.098
  176   1HA   GLY  30          2HA       GLY  30 -10.238 -13.102  -5.265
  177   2HA   GLY  30          1HA       GLY  30 -11.597 -14.085  -4.717
  178    H    GLU  31           H        GLU  31 -12.202 -10.980  -3.653
  179    HA   GLU  31           HA       GLU  31 -14.049 -10.523  -5.910
  180   1HB   GLU  31          2HB       GLU  31 -14.553 -10.426  -3.289
  181   2HB   GLU  31          1HB       GLU  31 -14.003  -8.794  -3.448
  182   1HG   GLU  31          2HG       GLU  31 -16.291  -8.618  -3.837
  183   2HG   GLU  31          1HG       GLU  31 -15.630  -8.648  -5.477
  184    H    THR  32           H        THR  32 -14.072  -7.564  -5.112
  185    HA   THR  32           HA       THR  32 -11.449  -6.589  -5.758
  186    HB   THR  32           HB       THR  32 -13.303  -5.664  -7.879
  187    HG1  THR  32           1HG      THR  32 -12.439  -8.334  -8.214
  188   1HG2  THR  32          1HG2      THR  32 -11.406  -5.356  -8.853
  189   2HG2  THR  32          2HG2      THR  32 -10.937  -7.047  -8.783
  190   3HG2  THR  32          3HG2      THR  32 -10.516  -5.957  -7.458
  191    H    VAL  33           H        VAL  33 -11.805  -4.100  -6.429
  192    HA   VAL  33           HA       VAL  33 -13.491  -3.002  -4.240
  193    HB   VAL  33           HB       VAL  33 -12.339  -0.845  -4.867
  194   1HG1  VAL  33          1HG1      VAL  33 -11.474  -2.387  -3.123
  195   2HG1  VAL  33          2HG1      VAL  33 -10.223  -1.468  -3.948
  196   3HG1  VAL  33          3HG1      VAL  33 -10.472  -3.167  -4.354
  197   1HG2  VAL  33          1HG2      VAL  33 -10.496  -2.511  -6.559
  198   2HG2  VAL  33          2HG2      VAL  33 -10.721  -0.779  -6.563
  199   3HG2  VAL  33          3HG2      VAL  33 -11.907  -1.819  -7.321
  200    H    GLY  34           H        GLY  34 -13.310  -0.557  -6.524
  201   1HA   GLY  34          2HA       GLY  34 -16.096  -0.607  -7.056
  202   2HA   GLY  34          1HA       GLY  34 -14.908   0.423  -7.853
  203    H    SER  35           H        SER  35 -13.262  -1.550  -8.999
  204    HA   SER  35           HA       SER  35 -14.481  -3.647 -10.370
  205   1HB   SER  35          2HB       SER  35 -15.584  -1.151 -11.278
  206   2HB   SER  35          1HB       SER  35 -14.531  -1.740 -12.543
  207    HG   SER  35           HG       SER  35 -16.621  -2.608 -12.731
  208    H    ASN  36           H        ASN  36 -12.358  -0.824 -10.786
  209    HA   ASN  36           HA       ASN  36 -10.656  -2.016 -12.761
  210   1HB   ASN  36          2HB       ASN  36 -10.393   0.258 -10.788
  211   2HB   ASN  36          1HB       ASN  36  -8.967  -0.272 -11.692
  212   1HD2  ASN  36          1HD2      ASN  36  -8.786   0.395 -13.836
  213   2HD2  ASN  36          2HD2      ASN  36 -10.030   1.257 -14.667
  214    H    SER  37           H        SER  37 -11.085  -2.771  -9.442
  215    HA   SER  37           HA       SER  37  -9.935  -4.164  -8.036
  216   1HB   SER  37          2HB       SER  37  -8.173  -5.112 -10.284
  217   2HB   SER  37          1HB       SER  37  -8.966  -6.069  -9.041
  218    HG   SER  37           HG       SER  37  -9.946  -6.287 -11.128
  219    H    TYR  38           H        TYR  38  -8.590  -3.171  -6.652
  220    HA   TYR  38           HA       TYR  38  -6.152  -1.874  -7.738
  221   1HB   TYR  38          2HB       TYR  38  -8.102  -0.969  -5.936
  222   2HB   TYR  38          1HB       TYR  38  -6.635  -1.197  -4.973
  223    HD1  TYR  38           1HD      TYR  38  -8.300   0.970  -7.205
  224    HD2  TYR  38           2HD      TYR  38  -4.398  -0.392  -6.076
  225    HE1  TYR  38           1HE      TYR  38  -7.290   3.006  -8.199
  226    HE2  TYR  38           2HE      TYR  38  -3.394   1.635  -7.076
  227    HH   TYR  38           HH       TYR  38  -5.093   4.358  -7.839
  228    HA   PRO  39           HA       PRO  39  -4.455  -4.493  -4.089
  229   1HB   PRO  39          2HB       PRO  39  -5.768  -6.823  -3.569
  230   2HB   PRO  39          1HB       PRO  39  -6.092  -5.304  -2.745
  231   1HG   PRO  39          2HG       PRO  39  -7.712  -6.695  -4.834
  232   2HG   PRO  39          1HG       PRO  39  -8.246  -5.589  -3.557
  233   1HD   PRO  39          2HD       PRO  39  -7.868  -4.967  -6.278
  234   2HD   PRO  39          1HD       PRO  39  -8.118  -3.798  -4.951
  235    H    HIS  40           H        HIS  40  -2.745  -5.004  -5.500
  236    HA   HIS  40           HA       HIS  40  -2.886  -7.752  -6.700
  237   1HB   HIS  40          2HB       HIS  40  -1.039  -6.159  -8.248
  238   2HB   HIS  40          1HB       HIS  40  -2.501  -6.997  -8.782
  239    HD1  HIS  40           1HD      HIS  40  -4.792  -5.635  -8.303
  240    HD2  HIS  40           2HD      HIS  40  -1.280  -3.434  -8.503
  241    HE1  HIS  40           1HE      HIS  40  -5.427  -3.279  -8.791
  242    HE2  HIS  40           2HE      HIS  40  -3.336  -1.953  -9.044
  243    H    LYS  41           H        LYS  41  -0.648  -8.657  -7.054
  244    HA   LYS  41           HA       LYS  41   0.899  -8.264  -4.653
  245   1HB   LYS  41          2HB       LYS  41   0.985 -10.472  -5.401
  246   2HB   LYS  41          1HB       LYS  41   1.180  -9.988  -7.062
  247   1HG   LYS  41          2HG       LYS  41   3.381  -9.133  -5.239
  248   2HG   LYS  41          1HG       LYS  41   3.175 -10.861  -5.413
  249   1HD   LYS  41          2HD       LYS  41   3.279  -9.034  -7.822
  250   2HD   LYS  41          1HD       LYS  41   4.714  -9.757  -7.098
  251   1HE   LYS  41          2HE       LYS  41   2.668 -11.786  -7.432
  252   2HE   LYS  41          1HE       LYS  41   2.931 -10.922  -8.950
  253   1HZ   LYS  41          1HZ       LYS  41   4.435 -12.798  -8.711
  254   2HZ   LYS  41          2HZ       LYS  41   5.073 -12.145  -7.289
  255   3HZ   LYS  41          3HZ       LYS  41   5.298 -11.344  -8.766
  256    H    TYR  42           H        TYR  42   2.668  -6.972  -4.354
  257    HA   TYR  42           HA       TYR  42   3.569  -5.372  -6.655
  258   1HB   TYR  42          2HB       TYR  42   2.764  -4.195  -4.594
  259   2HB   TYR  42          1HB       TYR  42   4.084  -4.940  -3.680
  260    HD1  TYR  42           1HD      TYR  42   5.747  -3.394  -3.258
  261    HD2  TYR  42           2HD      TYR  42   3.794  -3.337  -7.072
  262    HE1  TYR  42           1HE      TYR  42   7.264  -1.569  -4.010
  263    HE2  TYR  42           2HE      TYR  42   5.300  -1.522  -7.824
  264    HH   TYR  42           HH       TYR  42   7.864  -0.763  -7.010
  265    H    ASN  43           H        ASN  43   5.661  -5.587  -7.414
  266    HA   ASN  43           HA       ASN  43   7.374  -7.579  -5.997
  267   1HB   ASN  43          2HB       ASN  43   6.666  -7.312  -8.712
  268   2HB   ASN  43          1HB       ASN  43   8.331  -6.723  -8.644
  269   1HD2  ASN  43          1HD2      ASN  43   8.490  -8.869  -9.980
  270   2HD2  ASN  43          2HD2      ASN  43   8.826 -10.280  -9.042
  271    H    ASN  44           H        ASN  44   7.050  -4.240  -6.404
  272    HA   ASN  44           HA       ASN  44   8.493  -2.499  -5.854
  273   1HB   ASN  44          2HB       ASN  44  10.428  -4.495  -4.712
  274   2HB   ASN  44          1HB       ASN  44  10.043  -2.867  -4.148
  275   1HD2  ASN  44          1HD2      ASN  44   8.361  -2.640  -2.655
  276   2HD2  ASN  44          2HD2      ASN  44   7.425  -3.967  -2.084
  277    H    TYR  45           H        TYR  45  10.871  -1.770  -6.133
  278    HA   TYR  45           HA       TYR  45  12.580  -3.133  -7.918
  279   1HB   TYR  45          2HB       TYR  45  10.301  -1.728  -9.181
  280   2HB   TYR  45          1HB       TYR  45  11.855  -1.151  -9.793
  281    HD1  TYR  45           1HD      TYR  45  13.614  -3.407  -9.775
  282    HD2  TYR  45           2HD      TYR  45   9.426  -3.238 -10.729
  283    HE1  TYR  45           1HE      TYR  45  13.858  -5.422 -11.193
  284    HE2  TYR  45           2HE      TYR  45   9.672  -5.253 -12.153
  285    HH   TYR  45           HH       TYR  45  11.800  -7.379 -12.027
  286    H    GLU  46           H        GLU  46  11.299   0.082  -7.130
  287    HA   GLU  46           HA       GLU  46  13.357   1.757  -7.653
  288   1HB   GLU  46          2HB       GLU  46  11.139   1.816  -5.986
  289   2HB   GLU  46          1HB       GLU  46  12.463   1.973  -4.843
  290   1HG   GLU  46          2HG       GLU  46  12.796   3.634  -7.262
  291   2HG   GLU  46          1HG       GLU  46  11.355   4.004  -6.315
  292    H    GLY  47           H        GLY  47  13.279  -0.497  -4.888
  293   1HA   GLY  47          2HA       GLY  47  15.646  -1.541  -4.620
  294   2HA   GLY  47          1HA       GLY  47  16.174   0.121  -4.370
  295    H    PHE  48           H        PHE  48  13.276  -1.647  -3.192
  296    HA   PHE  48           HA       PHE  48  14.025  -0.733  -0.438
  297   1HB   PHE  48          2HB       PHE  48  11.327  -1.763  -1.383
  298   2HB   PHE  48          1HB       PHE  48  11.702  -0.914   0.126
  299    HD1  PHE  48           1HD      PHE  48  13.360   1.312  -0.627
  300    HD2  PHE  48           2HD      PHE  48   9.982  -0.376  -2.681
  301    HE1  PHE  48           1HE      PHE  48  12.929   3.494  -1.713
  302    HE2  PHE  48           2HE      PHE  48   9.557   1.808  -3.770
  303    HZ   PHE  48           HZ       PHE  48  11.031   3.726  -3.284
  304    H    ASP  49           H        ASP  49  14.310  -2.256   1.175
  305    HA   ASP  49           HA       ASP  49  14.310  -5.113   0.274
  306   1HB   ASP  49          2HB       ASP  49  15.779  -3.555   2.401
  307   2HB   ASP  49          1HB       ASP  49  15.573  -5.301   2.594
  308    H    PHE  50           H        PHE  50  12.879  -2.896   2.627
  309    HA   PHE  50           HA       PHE  50  11.225  -3.237   4.209
  310   1HB   PHE  50          2HB       PHE  50  10.454  -5.208   2.011
  311   2HB   PHE  50          1HB       PHE  50   9.450  -4.911   3.416
  312    HD1  PHE  50           1HD      PHE  50   9.330  -2.254   4.038
  313    HD2  PHE  50           2HD      PHE  50   9.741  -4.006   0.143
  314    HE1  PHE  50           1HE      PHE  50   8.315  -0.230   3.019
  315    HE2  PHE  50           2HE      PHE  50   8.743  -1.970  -0.866
  316    HZ   PHE  50           HZ       PHE  50   8.021  -0.091   0.562
  317    H    SER  51           H        SER  51   9.916  -5.409   5.232
  318    HA   SER  51           HA       SER  51  11.853  -7.559   5.771
  319   1HB   SER  51          2HB       SER  51  11.265  -6.898   8.382
  320   2HB   SER  51          1HB       SER  51  12.711  -6.375   7.527
  321    HG   SER  51           HG       SER  51  11.681  -4.582   8.408
  322    H    VAL  52           H        VAL  52   9.341  -7.678   4.521
  323    HA   VAL  52           HA       VAL  52   7.670  -9.017   6.637
  324    HB   VAL  52           HB       VAL  52   6.797  -7.494   4.188
  325   1HG1  VAL  52          1HG1      VAL  52   4.507  -8.162   4.806
  326   2HG1  VAL  52          2HG1      VAL  52   5.199  -9.228   6.029
  327   3HG1  VAL  52          3HG1      VAL  52   5.497  -9.534   4.353
  328   1HG2  VAL  52          1HG2      VAL  52   5.499  -6.232   5.849
  329   2HG2  VAL  52          2HG2      VAL  52   7.226  -6.071   6.121
  330   3HG2  VAL  52          3HG2      VAL  52   6.262  -7.148   7.139
  331    H    SER  53           H        SER  53   8.584  -9.056   3.172
  332    HA   SER  53           HA       SER  53   9.165 -11.758   3.008
  333   1HB   SER  53          2HB       SER  53   6.268 -11.296   3.240
  334   2HB   SER  53          1HB       SER  53   6.696 -12.226   1.827
  335    HG   SER  53           HG       SER  53   7.165 -12.834   4.509
  336    H    SER  54           H        SER  54   8.486 -12.627   0.611
  337    HA   SER  54           HA       SER  54   9.546 -10.568  -1.202
  338   1HB   SER  54          2HB       SER  54   8.705 -13.056  -2.511
  339   2HB   SER  54          1HB       SER  54  10.284 -12.308  -2.369
  340    HG   SER  54           HG       SER  54  10.677 -13.346  -0.515
  341    HA   PRO  55           HA       PRO  55   5.427 -11.405  -3.484
  342   1HB   PRO  55          2HB       PRO  55   3.539 -12.927  -2.204
  343   2HB   PRO  55          1HB       PRO  55   4.779 -13.573  -3.274
  344   1HG   PRO  55          2HG       PRO  55   4.651 -13.664  -0.282
  345   2HG   PRO  55          1HG       PRO  55   5.388 -14.819  -1.407
  346   1HD   PRO  55          2HD       PRO  55   6.730 -12.899   0.086
  347   2HD   PRO  55          1HD       PRO  55   7.395 -13.779  -1.278
  348    H    TYR  56           H        TYR  56   5.392  -9.181  -2.819
  349    HA   TYR  56           HA       TYR  56   3.744  -8.444  -0.486
  350   1HB   TYR  56          2HB       TYR  56   5.486  -7.022  -2.473
  351   2HB   TYR  56          1HB       TYR  56   4.270  -6.075  -1.663
  352    HD1  TYR  56           1HD      TYR  56   5.695  -8.971   0.061
  353    HD2  TYR  56           2HD      TYR  56   6.021  -4.737  -0.591
  354    HE1  TYR  56           1HE      TYR  56   7.110  -8.770   2.018
  355    HE2  TYR  56           2HE      TYR  56   7.493  -4.583   1.381
  356    HH   TYR  56           HH       TYR  56   7.854  -5.987   3.589
  357    H    TYR  57           H        TYR  57   2.310  -6.335  -1.190
  358    HA   TYR  57           HA       TYR  57   0.833  -6.769  -3.639
  359   1HB   TYR  57          2HB       TYR  57  -0.380  -7.332  -0.938
  360   2HB   TYR  57          1HB       TYR  57  -1.378  -6.974  -2.356
  361    HD1  TYR  57           1HD      TYR  57  -1.588  -8.558  -4.175
  362    HD2  TYR  57           2HD      TYR  57   0.958  -9.382  -0.832
  363    HE1  TYR  57           1HE      TYR  57  -1.391 -10.909  -4.921
  364    HE2  TYR  57           2HE      TYR  57   1.155 -11.738  -1.564
  365    HH   TYR  57           HH       TYR  57   0.666 -12.877  -4.360
  366    H    GLU  58           H        GLU  58   0.605  -4.781  -4.388
  367    HA   GLU  58           HA       GLU  58   0.812  -2.470  -2.630
  368   1HB   GLU  58          2HB       GLU  58   0.284  -1.209  -4.837
  369   2HB   GLU  58          1HB       GLU  58   1.780  -2.147  -4.750
  370   1HG   GLU  58          2HG       GLU  58   0.926  -3.913  -6.040
  371   2HG   GLU  58          1HG       GLU  58  -0.754  -3.385  -5.832
  372    H    TRP  59           H        TRP  59  -0.754  -1.083  -1.987
  373    HA   TRP  59           HA       TRP  59  -3.464  -1.162  -3.043
  374   1HB   TRP  59          2HB       TRP  59  -3.816  -3.003  -1.588
  375   2HB   TRP  59          1HB       TRP  59  -2.797  -2.312  -0.319
  376    HD1  TRP  59           HD       TRP  59  -3.871  -0.663   1.343
  377    HE1  TRP  59           1HE      TRP  59  -6.280   0.120   1.781
  378    HE3  TRP  59           3HE      TRP  59  -6.151  -2.495  -2.847
  379    HZ2  TRP  59           2HZ      TRP  59  -8.846  -0.017   0.497
  380    HZ3  TRP  59           3HZ      TRP  59  -8.557  -2.164  -3.197
  381    HH2  TRP  59           HH       TRP  59  -9.911  -0.945  -1.569
  382    HA   PRO  60           HA       PRO  60  -2.798   3.012  -1.656
  383   1HB   PRO  60          2HB       PRO  60  -5.360   3.928  -1.913
  384   2HB   PRO  60          1HB       PRO  60  -4.270   3.706  -3.249
  385   1HG   PRO  60          2HG       PRO  60  -6.496   1.940  -2.378
  386   2HG   PRO  60          1HG       PRO  60  -5.955   2.267  -4.029
  387   1HD   PRO  60          2HD       PRO  60  -5.368  -0.008  -2.608
  388   2HD   PRO  60          1HD       PRO  60  -4.379   0.575  -3.910
  389    H    ILE  61           H        ILE  61  -2.997   4.264   0.172
  390    HA   ILE  61           HA       ILE  61  -4.654   3.072   2.382
  391    HB   ILE  61           HB       ILE  61  -2.564   2.627   3.203
  392   1HG1  ILE  61          2HG1      ILE  61  -1.812   4.360   4.748
  393   2HG1  ILE  61          1HG1      ILE  61  -2.686   5.608   3.869
  394   1HG2  ILE  61          1HG2      ILE  61  -0.531   3.947   2.642
  395   2HG2  ILE  61          2HG2      ILE  61  -1.528   5.036   1.682
  396   3HG2  ILE  61          3HG2      ILE  61  -1.361   3.360   1.221
  397   1HD1  ILE  61          1HD1      ILE  61  -4.223   5.155   5.485
  398   2HD1  ILE  61          2HD1      ILE  61  -3.676   3.511   5.688
  399   3HD1  ILE  61          3HD1      ILE  61  -4.722   3.912   4.383
  400    H    LEU  62           H        LEU  62  -6.165   4.481   3.160
  401    HA   LEU  62           HA       LEU  62  -5.688   7.414   2.759
  402   1HB   LEU  62          2HB       LEU  62  -8.489   6.412   2.983
  403   2HB   LEU  62          1HB       LEU  62  -7.812   7.717   1.996
  404    HG   LEU  62           HG       LEU  62  -7.630   4.735   1.439
  405   1HD1  LEU  62          1HD1      LEU  62  -9.733   6.153   0.880
  406   2HD1  LEU  62          2HD1      LEU  62  -9.030   5.158  -0.379
  407   3HD1  LEU  62          3HD1      LEU  62  -8.724   6.894  -0.361
  408   1HD2  LEU  62          1HD2      LEU  62  -5.779   5.144   0.233
  409   2HD2  LEU  62          2HD2      LEU  62  -5.781   6.845   0.714
  410   3HD2  LEU  62          3HD2      LEU  62  -6.634   6.344  -0.691
  411    H    SER  63           H        SER  63  -6.924   8.756   4.379
  412    HA   SER  63           HA       SER  63  -7.278   7.300   6.984
  413   1HB   SER  63          2HB       SER  63  -5.350   8.369   7.617
  414   2HB   SER  63          1HB       SER  63  -5.478   9.572   6.317
  415    HG   SER  63           HG       SER  63  -5.794  10.399   8.467
  416    H    SER  64           H        SER  64  -8.881   8.875   4.662
  417    HA   SER  64           HA       SER  64 -10.317  10.848   6.259
  418   1HB   SER  64          2HB       SER  64  -9.973  10.355   3.524
  419   2HB   SER  64          1HB       SER  64 -11.667   9.961   3.797
  420    HG   SER  64           HG       SER  64 -12.038  11.987   4.522
  421    H    GLY  65           H        GLY  65 -11.565   7.986   4.472
  422   1HA   GLY  65          2HA       GLY  65 -12.608   6.445   6.467
  423   2HA   GLY  65          1HA       GLY  65 -13.786   7.757   6.396
  424    H    ASP  66           H        ASP  66 -12.012   5.698   4.046
  425    HA   ASP  66           HA       ASP  66 -14.400   4.517   3.010
  426   1HB   ASP  66          2HB       ASP  66 -14.295   7.126   2.179
  427   2HB   ASP  66          1HB       ASP  66 -13.332   6.378   0.912
  428    H    VAL  67           H        VAL  67 -13.842   2.800   1.662
  429    HA   VAL  67           HA       VAL  67 -10.985   2.204   1.438
  430    HB   VAL  67           HB       VAL  67 -13.422   0.744   0.352
  431   1HG1  VAL  67          1HG1      VAL  67 -11.376   0.150  -0.890
  432   2HG1  VAL  67          2HG1      VAL  67 -11.858  -1.171   0.152
  433   3HG1  VAL  67          3HG1      VAL  67 -10.549  -0.118   0.632
  434   1HG2  VAL  67          1HG2      VAL  67 -13.028  -0.752   2.282
  435   2HG2  VAL  67          2HG2      VAL  67 -13.374   0.893   2.808
  436   3HG2  VAL  67          3HG2      VAL  67 -11.714   0.294   2.824
  437    H    TYR  68           H        TYR  68  -9.791   2.047  -0.518
  438    HA   TYR  68           HA       TYR  68 -10.461   3.983  -2.529
  439   1HB   TYR  68          2HB       TYR  68  -8.172   2.632  -1.809
  440   2HB   TYR  68          1HB       TYR  68  -8.548   1.843  -3.348
  441    HD1  TYR  68           1HD      TYR  68  -8.653   3.156  -5.427
  442    HD2  TYR  68           2HD      TYR  68  -7.567   4.943  -1.718
  443    HE1  TYR  68           1HE      TYR  68  -7.789   5.132  -6.635
  444    HE2  TYR  68           2HE      TYR  68  -6.701   6.942  -2.903
  445    HH   TYR  68           HH       TYR  68  -5.794   7.116  -5.782
  446    H    SER  69           H        SER  69 -10.644   3.396  -4.912
  447    HA   SER  69           HA       SER  69 -11.628   0.808  -5.661
  448   1HB   SER  69          2HB       SER  69 -13.583   3.020  -5.070
  449   2HB   SER  69          1HB       SER  69 -13.977   1.775  -6.262
  450    HG   SER  69           HG       SER  69 -13.746   1.559  -3.503
  451    H    GLY  70           H        GLY  70  -9.634   2.270  -6.778
  452   1HA   GLY  70          2HA       GLY  70  -9.004   2.694  -9.036
  453   2HA   GLY  70          1HA       GLY  70 -10.692   2.800  -9.476
  454    H    GLY  71           H        GLY  71  -7.954   4.641  -9.007
  455   1HA   GLY  71          2HA       GLY  71  -9.289   7.120  -9.502
  456   2HA   GLY  71          1HA       GLY  71  -8.926   7.013  -7.777
  457    H    SER  72           H        SER  72  -6.958   5.732 -10.472
  458    HA   SER  72           HA       SER  72  -4.884   6.425 -11.234
  459   1HB   SER  72          2HB       SER  72  -4.279   8.625 -11.091
  460   2HB   SER  72          1HB       SER  72  -5.975   8.802 -10.644
  461    HG   SER  72           HG       SER  72  -4.632   9.838  -9.126
  462    HA   PRO  73           HA       PRO  73  -2.883   4.580  -7.581
  463   1HB   PRO  73          2HB       PRO  73  -1.064   3.153  -9.022
  464   2HB   PRO  73          1HB       PRO  73  -2.702   2.614  -8.756
  465   1HG   PRO  73          2HG       PRO  73  -1.496   3.733 -11.233
  466   2HG   PRO  73          1HG       PRO  73  -2.872   2.628 -11.064
  467   1HD   PRO  73          2HD       PRO  73  -3.010   5.419 -11.573
  468   2HD   PRO  73          1HD       PRO  73  -4.361   4.360 -11.118
  469    H    GLY  74           H        GLY  74  -1.500   5.889  -6.477
  470   1HA   GLY  74          2HA       GLY  74   1.142   6.308  -7.144
  471   2HA   GLY  74          1HA       GLY  74   0.308   7.718  -7.789
  472    H    ALA  75           H        ALA  75   1.736   8.829  -6.089
  473    HA   ALA  75           HA       ALA  75   2.055   9.787  -4.000
  474   1HB   ALA  75          1HB       ALA  75   0.131  10.859  -3.188
  475   2HB   ALA  75          2HB       ALA  75  -0.939   9.540  -3.675
  476   3HB   ALA  75          3HB       ALA  75  -0.236  10.607  -4.890
  477    H    ASP  76           H        ASP  76   0.341   9.468  -1.680
  478    HA   ASP  76           HA       ASP  76   1.563   7.584  -0.173
  479   1HB   ASP  76          2HB       ASP  76  -1.384   8.331  -0.120
  480   2HB   ASP  76          1HB       ASP  76  -0.578   7.437   1.178
  481    H    ARG  77           H        ARG  77   1.695   5.408  -0.136
  482    HA   ARG  77           HA       ARG  77  -0.496   3.736  -1.095
  483   1HB   ARG  77          2HB       ARG  77   2.083   4.155  -2.638
  484   2HB   ARG  77          1HB       ARG  77   1.245   2.601  -2.737
  485   1HG   ARG  77          2HG       ARG  77   0.150   5.288  -3.543
  486   2HG   ARG  77          1HG       ARG  77   0.504   3.913  -4.552
  487   1HD   ARG  77          2HD       ARG  77  -1.181   2.645  -3.012
  488   2HD   ARG  77          1HD       ARG  77  -1.752   4.263  -2.598
  489    HE   ARG  77           HE       ARG  77  -1.191   3.522  -5.167
  490   1HH1  ARG  77          1HH2      ARG  77  -1.893   6.039  -3.717
  491   2HH1  ARG  77          2HH2      ARG  77  -3.338   6.585  -4.478
  492   1HH2  ARG  77          1HH1      ARG  77  -4.031   3.593  -6.005
  493   2HH2  ARG  77          2HH1      ARG  77  -4.550   5.209  -5.804
  494    H    VAL  78           H        VAL  78  -0.542   2.050   0.288
  495    HA   VAL  78           HA       VAL  78   2.006   1.367   1.703
  496    HB   VAL  78           HB       VAL  78  -0.822   1.581   2.519
  497   1HG1  VAL  78          1HG1      VAL  78  -0.703  -0.860   2.522
  498   2HG1  VAL  78          2HG1      VAL  78  -0.753  -0.218   4.149
  499   3HG1  VAL  78          3HG1      VAL  78   0.773  -0.798   3.489
  500   1HG2  VAL  78          1HG2      VAL  78   1.636   2.502   3.367
  501   2HG2  VAL  78          2HG2      VAL  78   1.260   1.271   4.565
  502   3HG2  VAL  78          3HG2      VAL  78   0.144   2.596   4.255
  503    H    VAL  79           H        VAL  79   2.652  -0.811   1.884
  504    HA   VAL  79           HA       VAL  79   1.250  -2.691   0.007
  505    HB   VAL  79           HB       VAL  79   4.190  -2.945   0.582
  506   1HG1  VAL  79          1HG1      VAL  79   2.437  -3.566  -1.778
  507   2HG1  VAL  79          2HG1      VAL  79   3.058  -4.726  -0.628
  508   3HG1  VAL  79          3HG1      VAL  79   4.154  -3.888  -1.682
  509   1HG2  VAL  79          1HG2      VAL  79   4.644  -1.564  -1.422
  510   2HG2  VAL  79          2HG2      VAL  79   4.019  -0.632  -0.069
  511   3HG2  VAL  79          3HG2      VAL  79   2.955  -1.056  -1.413
  512    H    PHE  80           H        PHE  80   1.964  -5.009   0.538
  513    HA   PHE  80           HA       PHE  80   2.690  -5.637   3.228
  514   1HB   PHE  80          2HB       PHE  80   0.477  -6.325   4.021
  515   2HB   PHE  80          1HB       PHE  80   0.434  -4.637   3.568
  516    HD1  PHE  80           1HD      PHE  80  -1.250  -7.661   3.256
  517    HD2  PHE  80           2HD      PHE  80  -0.155  -4.198   0.972
  518    HE1  PHE  80           1HE      PHE  80  -3.052  -8.123   1.644
  519    HE2  PHE  80           2HE      PHE  80  -1.961  -4.660  -0.627
  520    HZ   PHE  80           HZ       PHE  80  -3.431  -6.621  -0.289
  521    H    ASN  81           H        ASN  81   1.436  -8.085   3.535
  522    HA   ASN  81           HA       ASN  81   2.133  -9.500   0.983
  523   1HB   ASN  81          2HB       ASN  81   2.891 -10.005   3.842
  524   2HB   ASN  81          1HB       ASN  81   2.588 -11.418   2.821
  525   1HD2  ASN  81          1HD2      ASN  81   4.079 -11.903   1.167
  526   2HD2  ASN  81          2HD2      ASN  81   5.494 -10.958   0.885
  527    H    GLU  82           H        GLU  82   0.728 -10.730   3.976
  528    HA   GLU  82           HA       GLU  82  -1.949 -10.874   2.856
  529   1HB   GLU  82          2HB       GLU  82  -1.723 -13.569   3.241
  530   2HB   GLU  82          1HB       GLU  82  -1.504 -12.798   1.683
  531   1HG   GLU  82          2HG       GLU  82   0.921 -12.899   3.455
  532   2HG   GLU  82          1HG       GLU  82   0.321 -14.424   2.813
  533    H    ASN  83           H        ASN  83  -0.360 -10.090   5.311
  534    HA   ASN  83           HA       ASN  83  -2.231 -11.270   7.276
  535   1HB   ASN  83          2HB       ASN  83   0.790 -11.437   7.461
  536   2HB   ASN  83          1HB       ASN  83  -0.280 -11.738   8.829
  537   1HD2  ASN  83          1HD2      ASN  83   0.684 -12.927   5.627
  538   2HD2  ASN  83          2HD2      ASN  83   0.021 -14.504   5.859
  539    H    ASN  84           H        ASN  84  -1.324  -8.583   5.919
  540    HA   ASN  84           HA       ASN  84  -1.256  -6.391   6.564
  541   1HB   ASN  84          2HB       ASN  84  -3.241  -6.853   7.877
  542   2HB   ASN  84          1HB       ASN  84  -2.296  -7.582   9.169
  543   1HD2  ASN  84          1HD2      ASN  84  -1.408  -4.602   7.439
  544   2HD2  ASN  84          2HD2      ASN  84  -1.546  -3.614   8.831
  545    H    GLN  85           H        GLN  85   0.968  -8.478   7.289
  546    HA   GLN  85           HA       GLN  85   2.381  -7.748   9.580
  547   1HB   GLN  85          2HB       GLN  85   3.919  -8.008   7.023
  548   2HB   GLN  85          1HB       GLN  85   4.281  -8.691   8.602
  549   1HG   GLN  85          2HG       GLN  85   1.919  -9.953   8.005
  550   2HG   GLN  85          1HG       GLN  85   2.625  -9.759   6.388
  551   1HE2  GLN  85          1HE2      GLN  85   3.944 -10.506   9.662
  552   2HE2  GLN  85          2HE2      GLN  85   4.799 -11.903   9.117
  553    H    LEU  86           H        LEU  86   1.964  -6.067   6.528
  554    HA   LEU  86           HA       LEU  86   2.084  -3.804   6.158
  555   1HB   LEU  86          2HB       LEU  86   2.074  -3.654   8.809
  556   2HB   LEU  86          1HB       LEU  86   3.802  -3.332   8.606
  557    HG   LEU  86           HG       LEU  86   2.705  -1.203   8.625
  558   1HD1  LEU  86          1HD1      LEU  86   4.468  -1.708   6.801
  559   2HD1  LEU  86          2HD1      LEU  86   3.437  -0.308   6.590
  560   3HD1  LEU  86          3HD1      LEU  86   3.090  -1.763   5.685
  561   1HD2  LEU  86          1HD2      LEU  86   0.801  -0.666   7.326
  562   2HD2  LEU  86          2HD2      LEU  86   0.433  -2.242   8.020
  563   3HD2  LEU  86          3HD2      LEU  86   0.952  -2.113   6.339
  564    H    ALA  87           H        ALA  87   3.395  -3.576   4.435
  565    HA   ALA  87           HA       ALA  87   6.219  -4.410   4.540
  566   1HB   ALA  87          1HB       ALA  87   4.480  -3.179   2.425
  567   2HB   ALA  87          2HB       ALA  87   5.067  -4.827   2.470
  568   3HB   ALA  87          3HB       ALA  87   6.174  -3.480   2.157
  569    H    GLY  88           H        GLY  88   4.354  -1.386   4.182
  570   1HA   GLY  88          2HA       GLY  88   5.855   0.304   5.738
  571   2HA   GLY  88          1HA       GLY  88   6.774   0.273   4.237
  572    H    VAL  89           H        VAL  89   6.209   2.601   4.089
  573    HA   VAL  89           HA       VAL  89   3.525   2.929   2.798
  574    HB   VAL  89           HB       VAL  89   4.785   4.918   4.720
  575   1HG1  VAL  89          1HG1      VAL  89   2.078   4.813   3.337
  576   2HG1  VAL  89          2HG1      VAL  89   3.381   5.944   2.970
  577   3HG1  VAL  89          3HG1      VAL  89   2.568   6.017   4.528
  578   1HG2  VAL  89          1HG2      VAL  89   2.899   4.270   6.207
  579   2HG2  VAL  89          2HG2      VAL  89   3.990   2.926   5.928
  580   3HG2  VAL  89          3HG2      VAL  89   2.483   3.009   5.106
  581    H    ILE  90           H        ILE  90   4.499   2.918   0.762
  582    HA   ILE  90           HA       ILE  90   6.661   4.891   0.198
  583    HB   ILE  90           HB       ILE  90   6.786   3.821  -1.957
  584   1HG1  ILE  90          2HG1      ILE  90   4.135   2.696  -1.113
  585   2HG1  ILE  90          1HG1      ILE  90   4.654   3.194  -2.697
  586   1HG2  ILE  90          1HG2      ILE  90   6.496   1.705   0.182
  587   2HG2  ILE  90          2HG2      ILE  90   7.866   2.802   0.053
  588   3HG2  ILE  90          3HG2      ILE  90   7.551   1.656  -1.235
  589   1HD1  ILE  90          1HD1      ILE  90   5.351   0.631  -1.271
  590   2HD1  ILE  90          2HD1      ILE  90   6.091   1.138  -2.787
  591   3HD1  ILE  90          3HD1      ILE  90   4.361   0.827  -2.707
  592    H    THR  91           H        THR  91   6.377   6.553  -1.396
  593    HA   THR  91           HA       THR  91   3.533   7.119  -2.108
  594    HB   THR  91           HB       THR  91   4.283   8.642  -0.318
  595    HG1  THR  91           1HG      THR  91   3.574  10.434  -1.362
  596   1HG2  THR  91          1HG2      THR  91   6.726   8.500  -0.882
  597   2HG2  THR  91          2HG2      THR  91   6.136  10.131  -0.650
  598   3HG2  THR  91          3HG2      THR  91   6.417   9.541  -2.273
  599    H    HIS  92           H        HIS  92   3.199   7.574  -4.246
  600    HA   HIS  92           HA       HIS  92   5.445   7.397  -6.070
  601   1HB   HIS  92          2HB       HIS  92   2.692   6.878  -6.193
  602   2HB   HIS  92          1HB       HIS  92   2.971   8.108  -7.428
  603    HD1  HIS  92           1HD      HIS  92   2.895   6.659  -9.479
  604    HD2  HIS  92           2HD      HIS  92   5.405   5.176  -6.556
  605    HE1  HIS  92           1HE      HIS  92   4.146   4.736 -10.540
  606    HE2  HIS  92           2HE      HIS  92   5.899   4.044  -8.857
  607    H    THR  93           H        THR  93   6.442   9.412  -5.160
  608    HA   THR  93           HA       THR  93   5.892  11.644  -6.919
  609    HB   THR  93           HB       THR  93   5.330  12.185  -3.978
  610    HG1  THR  93           1HG      THR  93   3.205  11.920  -4.394
  611   1HG2  THR  93          1HG2      THR  93   4.327  14.233  -4.902
  612   2HG2  THR  93          2HG2      THR  93   4.781  13.729  -6.529
  613   3HG2  THR  93          3HG2      THR  93   6.030  14.102  -5.337
  614    H    GLY  94           H        GLY  94   7.760  12.869  -7.070
  615   1HA   GLY  94          2HA       GLY  94   9.743  13.903  -6.237
  616   2HA   GLY  94          1HA       GLY  94   9.677  12.902  -4.791
  617    H    ALA  95           H        ALA  95   9.263  11.435  -7.958
  618    HA   ALA  95           HA       ALA  95  12.111  10.710  -8.166
  619   1HB   ALA  95          1HB       ALA  95  11.403   8.205  -8.169
  620   2HB   ALA  95          2HB       ALA  95  10.019   8.773  -7.231
  621   3HB   ALA  95          3HB       ALA  95  11.634   9.027  -6.639
  622    H    SER  96           H        SER  96  11.930  11.636 -10.272
  623    HA   SER  96           HA       SER  96  11.275  11.736 -12.518
  624   1HB   SER  96          2HB       SER  96  12.621   9.504 -12.120
  625   2HB   SER  96          1HB       SER  96  11.079   8.716 -12.448
  626    HG   SER  96           HG       SER  96  11.074   9.570 -14.472
  627    H    GLY  97           H        GLY  97   9.120  12.635 -11.933
  628   1HA   GLY  97          2HA       GLY  97   6.834  12.628 -12.543
  629   2HA   GLY  97          1HA       GLY  97   6.954  10.923 -12.978
  630    H    ASN  98           H        ASN  98   7.336   9.429 -11.000
  631    HA   ASN  98           HA       ASN  98   6.174  10.471  -8.487
  632   1HB   ASN  98          2HB       ASN  98   4.811   8.028  -8.992
  633   2HB   ASN  98          1HB       ASN  98   4.122   9.603  -8.834
  634   1HD2  ASN  98          1HD2      ASN  98   5.541   7.409 -11.254
  635   2HD2  ASN  98          2HD2      ASN  98   4.680   8.116 -12.562
  636    H    ASN  99           H        ASN  99   6.413   7.093  -9.612
  637    HA   ASN  99           HA       ASN  99   7.654   5.345  -8.808
  638   1HB   ASN  99          2HB       ASN  99   9.486   7.643  -8.875
  639   2HB   ASN  99          1HB       ASN  99  10.013   6.403  -7.756
  640   1HD2  ASN  99          1HD2      ASN  99  11.735   6.549  -9.687
  641   2HD2  ASN  99          2HD2      ASN  99  11.446   5.400 -10.944
  642    H    PHE 100           H        PHE 100   7.763   4.221  -6.883
  643    HA   PHE 100           HA       PHE 100   6.615   5.571  -4.553
  644   1HB   PHE 100          2HB       PHE 100   7.690   2.784  -4.271
  645   2HB   PHE 100          1HB       PHE 100   6.209   3.514  -3.723
  646    HD1  PHE 100           1HD      PHE 100   4.216   3.663  -5.058
  647    HD2  PHE 100           2HD      PHE 100   7.848   1.939  -6.577
  648    HE1  PHE 100           1HE      PHE 100   2.957   2.686  -6.958
  649    HE2  PHE 100           2HE      PHE 100   6.585   0.962  -8.479
  650    HZ   PHE 100           HZ       PHE 100   4.141   1.336  -8.668
  651    H    VAL 101           H        VAL 101   7.654   5.843  -2.543
  652    HA   VAL 101           HA       VAL 101  10.501   5.179  -2.251
  653    HB   VAL 101           HB       VAL 101  10.717   7.759  -1.484
  654   1HG1  VAL 101          1HG1      VAL 101  10.984   6.851  -4.364
  655   2HG1  VAL 101          2HG1      VAL 101  12.156   6.496  -3.096
  656   3HG1  VAL 101          3HG1      VAL 101  11.854   8.162  -3.576
  657   1HG2  VAL 101          1HG2      VAL 101   9.527   9.222  -2.944
  658   2HG2  VAL 101          2HG2      VAL 101   8.326   8.145  -2.251
  659   3HG2  VAL 101          3HG2      VAL 101   8.884   7.890  -3.901
  660    H    GLU 102           H        GLU 102  10.507   4.241  -0.291
  661    HA   GLU 102           HA       GLU 102   8.545   4.297   1.637
  662   1HB   GLU 102          2HB       GLU 102  10.363   3.837   3.332
  663   2HB   GLU 102          1HB       GLU 102  10.466   2.842   1.875
  664   1HG   GLU 102          2HG       GLU 102  12.367   3.794   1.143
  665   2HG   GLU 102          1HG       GLU 102  11.977   5.403   1.724
  666    H    CYS 103           H        CYS 103   7.755   5.787   3.067
  667    HA   CYS 103           HA       CYS 103   8.676   8.538   2.921
  668   1HB   CYS 103          2HB       CYS 103   6.742   7.194   4.858
  669   2HB   CYS 103          1HB       CYS 103   6.931   8.928   4.617
  670    H    THR 104           H        THR 104  10.671   8.969   3.815
  671    HA   THR 104           HA       THR 104  11.063   8.202   6.687
  672    HB   THR 104           HB       THR 104  12.379   6.629   5.289
  673    HG1  THR 104           1HG      THR 104  13.433   7.122   7.150
  674   1HG2  THR 104          1HG2      THR 104  12.586   8.118   3.302
  675   2HG2  THR 104          2HG2      THR 104  14.127   7.459   3.825
  676   3HG2  THR 104          3HG2      THR 104  13.723   9.123   4.203
  Start of MODEL   15
    1   1H    ALA   1          1HT       ALA   1  -0.763  12.172  16.965
    2   2H    ALA   1          2HT       ALA   1  -1.572  11.104  15.888
    3   3H    ALA   1          3HT       ALA   1  -0.839  12.542  15.296
    4    HA   ALA   1           HA       ALA   1   1.333  11.729  15.908
    5   1HB   ALA   1          1HB       ALA   1  -0.204   9.232  16.694
    6   2HB   ALA   1          2HB       ALA   1   0.618  10.330  17.801
    7   3HB   ALA   1          3HB       ALA   1   1.555   9.382  16.648
    8    H    CYS   2           H        CYS   2   2.508  10.388  14.339
    9    HA   CYS   2           HA       CYS   2   1.284   8.647  12.501
   10   1HB   CYS   2          2HB       CYS   2   1.178  10.184  10.508
   11   2HB   CYS   2          1HB       CYS   2  -0.066  10.496  11.717
   12    H    ASP   3           H        ASP   3   3.250   7.563  12.539
   13    HA   ASP   3           HA       ASP   3   5.771   8.902  12.181
   14   1HB   ASP   3          2HB       ASP   3   5.225   6.495  13.129
   15   2HB   ASP   3          1HB       ASP   3   5.364   5.985  11.442
   16    H    TYR   4           H        TYR   4   3.282   7.893   9.991
   17    HA   TYR   4           HA       TYR   4   5.135   8.149   7.666
   18   1HB   TYR   4          2HB       TYR   4   2.316   7.037   7.962
   19   2HB   TYR   4          1HB       TYR   4   3.116   7.251   6.396
   20    HD1  TYR   4           1HD      TYR   4   2.404   4.843   8.733
   21    HD2  TYR   4           2HD      TYR   4   5.733   6.406   6.521
   22    HE1  TYR   4           1HE      TYR   4   3.594   2.681   8.997
   23    HE2  TYR   4           2HE      TYR   4   6.927   4.250   6.785
   24    HH   TYR   4           HH       TYR   4   5.746   1.526   7.352
   25    H    THR   5           H        THR   5   5.276  10.480   7.995
   26    HA   THR   5           HA       THR   5   2.739  11.969   7.465
   27    HB   THR   5           HB       THR   5   5.478  12.889   8.397
   28    HG1  THR   5           1HG      THR   5   4.484  13.058  10.342
   29   1HG2  THR   5          1HG2      THR   5   3.827  14.974   8.838
   30   2HG2  THR   5          2HG2      THR   5   3.113  14.373   7.349
   31   3HG2  THR   5          3HG2      THR   5   4.820  14.828   7.400
   32    H    CYS   6           H        CYS   6   2.996  11.016   5.156
   33    HA   CYS   6           HA       CYS   6   5.091  12.298   3.518
   34   1HB   CYS   6          2HB       CYS   6   2.625  10.936   2.412
   35   2HB   CYS   6          1HB       CYS   6   4.244  11.044   1.707
   36    H    GLY   7           H        GLY   7   4.580  13.877   1.834
   37   1HA   GLY   7          2HA       GLY   7   3.651  15.972   1.295
   38   2HA   GLY   7          1HA       GLY   7   2.150  15.049   1.218
   39    H    SER   8           H        SER   8   0.692  15.173   2.958
   40    HA   SER   8           HA       SER   8   1.440  16.533   5.450
   41   1HB   SER   8          2HB       SER   8   0.895  18.317   3.587
   42   2HB   SER   8          1HB       SER   8  -0.786  17.867   3.892
   43    HG   SER   8           HG       SER   8  -0.601  18.572   5.962
   44    H    ASN   9           H        ASN   9   0.435  13.939   4.869
   45    HA   ASN   9           HA       ASN   9  -2.457  14.056   5.571
   46   1HB   ASN   9          2HB       ASN   9  -0.572  11.913   4.590
   47   2HB   ASN   9          1HB       ASN   9  -2.068  11.460   5.377
   48   1HD2  ASN   9          1HD2      ASN   9  -1.022  13.788   2.859
   49   2HD2  ASN   9          2HD2      ASN   9  -2.389  13.487   1.857
   50    H    CYS  10           H        CYS  10   0.675  13.019   6.941
   51    HA   CYS  10           HA       CYS  10   1.203  12.409   9.087
   52   1HB   CYS  10          2HB       CYS  10   0.307  14.641   9.645
   53   2HB   CYS  10          1HB       CYS  10  -1.333  13.996   9.719
   54    H    TYR  11           H        TYR  11   0.289  10.283   7.927
   55    HA   TYR  11           HA       TYR  11  -2.164   9.259   9.253
   56   1HB   TYR  11          2HB       TYR  11  -0.406   8.406   6.961
   57   2HB   TYR  11          1HB       TYR  11  -1.310   7.142   7.812
   58    HD1  TYR  11           1HD      TYR  11  -2.694   6.694   5.859
   59    HD2  TYR  11           2HD      TYR  11  -2.620  10.585   7.659
   60    HE1  TYR  11           1HE      TYR  11  -4.709   7.341   4.620
   61    HE2  TYR  11           2HE      TYR  11  -4.656  11.204   6.453
   62    HH   TYR  11           HH       TYR  11  -5.745   9.996   3.903
   63    H    SER  12           H        SER  12  -2.218   7.573  10.696
   64    HA   SER  12           HA       SER  12   0.233   7.189  12.256
   65   1HB   SER  12          2HB       SER  12  -2.408   5.805  12.717
   66   2HB   SER  12          1HB       SER  12  -1.149   6.182  13.887
   67    HG   SER  12           HG       SER  12  -1.731   8.284  13.848
   68    H    SER  13           H        SER  13   1.536   5.413  12.205
   69    HA   SER  13           HA       SER  13   1.331   3.531  10.061
   70   1HB   SER  13          2HB       SER  13   3.181   2.385  11.107
   71   2HB   SER  13          1HB       SER  13   3.437   4.119  11.342
   72    HG   SER  13           HG       SER  13   3.729   3.090  13.313
   73    H    SER  14           H        SER  14  -0.070   3.647  13.247
   74    HA   SER  14           HA       SER  14  -0.716   0.803  13.345
   75   1HB   SER  14          2HB       SER  14  -0.547   1.808  15.480
   76   2HB   SER  14          1HB       SER  14  -1.477   3.229  14.987
   77    HG   SER  14           HG       SER  14  -2.611   1.568  16.288
   78    H    ASP  15           H        ASP  15  -2.270   3.795  12.295
   79    HA   ASP  15           HA       ASP  15  -4.862   2.517  11.876
   80   1HB   ASP  15          2HB       ASP  15  -3.673   5.231  11.450
   81   2HB   ASP  15          1HB       ASP  15  -4.964   4.790  10.344
   82    H    VAL  16           H        VAL  16  -1.920   3.012  10.070
   83    HA   VAL  16           HA       VAL  16  -3.004   2.550   7.479
   84    HB   VAL  16           HB       VAL  16  -0.243   1.779   8.465
   85   1HG1  VAL  16          1HG1      VAL  16  -1.544   2.032   5.780
   86   2HG1  VAL  16          2HG1      VAL  16  -0.357   0.902   6.353
   87   3HG1  VAL  16          3HG1      VAL  16   0.137   2.525   5.919
   88   1HG2  VAL  16          1HG2      VAL  16   0.170   3.959   8.712
   89   2HG2  VAL  16          2HG2      VAL  16  -1.472   4.387   8.284
   90   3HG2  VAL  16          3HG2      VAL  16  -0.240   4.259   7.047
   91    H    SER  17           H        SER  17  -2.323   0.488  10.180
   92    HA   SER  17           HA       SER  17  -2.189  -2.008   8.791
   93   1HB   SER  17          2HB       SER  17  -1.534  -1.602  11.195
   94   2HB   SER  17          1HB       SER  17  -3.254  -1.550  11.598
   95    HG   SER  17           HG       SER  17  -2.152  -3.666  11.773
   96    H    THR  18           H        THR  18  -4.891  -0.160  10.232
   97    HA   THR  18           HA       THR  18  -6.908  -2.112   9.646
   98    HB   THR  18           HB       THR  18  -7.775   0.732   9.433
   99    HG1  THR  18           1HG      THR  18  -6.439  -0.146  11.806
  100   1HG2  THR  18          1HG2      THR  18  -9.295  -1.152   9.910
  101   2HG2  THR  18          2HG2      THR  18  -9.279   0.025  11.223
  102   3HG2  THR  18          3HG2      THR  18  -8.399  -1.493  11.394
  103    H    ALA  19           H        ALA  19  -5.578   0.634   7.837
  104    HA   ALA  19           HA       ALA  19  -7.279   0.200   5.512
  105   1HB   ALA  19          1HB       ALA  19  -5.200   1.611   4.513
  106   2HB   ALA  19          2HB       ALA  19  -4.994   1.923   6.247
  107   3HB   ALA  19          3HB       ALA  19  -6.498   2.352   5.454
  108    H    GLN  20           H        GLN  20  -4.491  -1.311   6.815
  109    HA   GLN  20           HA       GLN  20  -3.469  -2.255   4.297
  110   1HB   GLN  20          2HB       GLN  20  -2.407  -2.030   6.863
  111   2HB   GLN  20          1HB       GLN  20  -2.613  -3.759   6.707
  112   1HG   GLN  20          2HG       GLN  20  -0.915  -1.904   5.119
  113   2HG   GLN  20          1HG       GLN  20  -0.497  -3.442   5.842
  114   1HE2  GLN  20          1HE2      GLN  20  -1.605  -1.972   2.931
  115   2HE2  GLN  20          2HE2      GLN  20  -1.952  -3.406   2.096
  116    H    ALA  21           H        ALA  21  -5.647  -3.357   6.806
  117    HA   ALA  21           HA       ALA  21  -5.774  -6.101   5.815
  118   1HB   ALA  21          1HB       ALA  21  -7.671  -6.309   7.387
  119   2HB   ALA  21          2HB       ALA  21  -7.613  -4.568   7.681
  120   3HB   ALA  21          3HB       ALA  21  -6.261  -5.590   8.167
  121    H    ALA  22           H        ALA  22  -7.051  -3.063   4.883
  122    HA   ALA  22           HA       ALA  22  -9.555  -3.982   3.763
  123   1HB   ALA  22          1HB       ALA  22  -9.692  -1.722   3.968
  124   2HB   ALA  22          2HB       ALA  22  -8.964  -1.718   2.365
  125   3HB   ALA  22          3HB       ALA  22  -7.958  -1.478   3.785
  126    H    GLY  23           H        GLY  23  -6.457  -2.950   2.231
  127   1HA   GLY  23          2HA       GLY  23  -7.103  -3.967  -0.371
  128   2HA   GLY  23          1HA       GLY  23  -5.474  -3.687   0.235
  129    H    TYR  24           H        TYR  24  -6.062  -5.495   2.579
  130    HA   TYR  24           HA       TYR  24  -5.078  -7.905   1.335
  131   1HB   TYR  24          2HB       TYR  24  -4.370  -7.204   3.615
  132   2HB   TYR  24          1HB       TYR  24  -6.037  -7.395   4.183
  133    HD1  TYR  24           1HD      TYR  24  -5.962  -9.202   5.678
  134    HD2  TYR  24           2HD      TYR  24  -4.044  -9.540   1.846
  135    HE1  TYR  24           1HE      TYR  24  -5.530 -11.608   6.098
  136    HE2  TYR  24           2HE      TYR  24  -3.624 -11.935   2.261
  137    HH   TYR  24           HH       TYR  24  -5.010 -13.793   4.052
  138    H    GLN  25           H        GLN  25  -8.170  -6.817   2.696
  139    HA   GLN  25           HA       GLN  25  -9.455  -9.398   2.515
  140   1HB   GLN  25          2HB       GLN  25 -10.129  -7.020   3.686
  141   2HB   GLN  25          1HB       GLN  25 -11.136  -6.933   2.238
  142   1HG   GLN  25          2HG       GLN  25 -12.270  -8.941   2.765
  143   2HG   GLN  25          1HG       GLN  25 -11.079  -9.395   3.996
  144   1HE2  GLN  25          1HE2      GLN  25 -12.574  -6.165   3.552
  145   2HE2  GLN  25          2HE2      GLN  25 -13.313  -6.176   5.104
  146    H    LEU  26           H        LEU  26  -9.404  -6.513   0.401
  147    HA   LEU  26           HA       LEU  26 -11.042  -7.753  -1.642
  148   1HB   LEU  26          2HB       LEU  26 -10.532  -5.218  -1.228
  149   2HB   LEU  26          1HB       LEU  26  -9.049  -5.519  -2.135
  150    HG   LEU  26           HG       LEU  26 -10.614  -6.584  -3.935
  151   1HD1  LEU  26          1HD1      LEU  26 -12.887  -5.566  -3.922
  152   2HD1  LEU  26          2HD1      LEU  26 -12.573  -4.941  -2.309
  153   3HD1  LEU  26          3HD1      LEU  26 -12.640  -6.681  -2.586
  154   1HD2  LEU  26          1HD2      LEU  26  -9.696  -4.675  -4.755
  155   2HD2  LEU  26          2HD2      LEU  26 -10.065  -3.727  -3.318
  156   3HD2  LEU  26          3HD2      LEU  26 -11.302  -4.045  -4.513
  157    H    HIS  27           H        HIS  27  -7.729  -7.990  -0.726
  158    HA   HIS  27           HA       HIS  27  -6.839  -8.936  -3.368
  159   1HB   HIS  27          2HB       HIS  27  -5.301  -7.593  -1.977
  160   2HB   HIS  27          1HB       HIS  27  -5.387  -8.797  -0.691
  161    HD1  HIS  27           1HD      HIS  27  -4.858  -9.125  -4.462
  162    HD2  HIS  27           2HD      HIS  27  -3.063 -10.234  -0.865
  163    HE1  HIS  27           1HE      HIS  27  -2.847 -10.528  -5.072
  164    HE2  HIS  27           2HE      HIS  27  -2.108 -11.533  -2.881
  165    H    GLU  28           H        GLU  28  -8.107 -10.219  -0.396
  166    HA   GLU  28           HA       GLU  28  -7.033 -12.919  -0.879
  167   1HB   GLU  28          2HB       GLU  28  -7.327 -12.040   1.425
  168   2HB   GLU  28          1HB       GLU  28  -9.071 -11.935   1.161
  169   1HG   GLU  28          2HG       GLU  28  -7.936 -14.580   0.466
  170   2HG   GLU  28          1HG       GLU  28  -7.714 -14.128   2.162
  171    H    ASP  29           H        ASP  29  -9.896 -11.046  -1.598
  172    HA   ASP  29           HA       ASP  29 -11.381 -13.513  -2.317
  173   1HB   ASP  29          2HB       ASP  29 -12.334 -11.370  -1.059
  174   2HB   ASP  29          1HB       ASP  29 -12.504 -10.733  -2.698
  175    H    GLY  30           H        GLY  30  -9.304 -11.231  -3.741
  176   1HA   GLY  30          2HA       GLY  30  -8.666 -10.950  -5.960
  177   2HA   GLY  30          1HA       GLY  30  -9.647 -12.360  -6.364
  178    H    GLU  31           H        GLU  31 -11.248  -9.784  -4.664
  179    HA   GLU  31           HA       GLU  31 -12.891  -9.275  -7.064
  180   1HB   GLU  31          2HB       GLU  31 -14.168  -9.589  -5.092
  181   2HB   GLU  31          1HB       GLU  31 -13.126  -8.518  -4.145
  182   1HG   GLU  31          2HG       GLU  31 -13.907  -6.587  -5.385
  183   2HG   GLU  31          1HG       GLU  31 -14.875  -7.610  -6.454
  184    H    THR  32           H        THR  32 -13.455  -6.935  -7.524
  185    HA   THR  32           HA       THR  32 -10.981  -5.283  -7.374
  186    HB   THR  32           HB       THR  32 -12.907  -4.103  -9.128
  187    HG1  THR  32           1HG      THR  32 -12.609  -6.880  -9.709
  188   1HG2  THR  32          1HG2      THR  32 -10.806  -3.882  -9.822
  189   2HG2  THR  32          2HG2      THR  32 -11.220  -5.264 -10.814
  190   3HG2  THR  32          3HG2      THR  32 -10.263  -5.492  -9.350
  191    H    VAL  33           H        VAL  33 -11.423  -2.873  -7.218
  192    HA   VAL  33           HA       VAL  33 -13.498  -2.452  -5.091
  193    HB   VAL  33           HB       VAL  33 -11.931  -0.137  -5.156
  194   1HG1  VAL  33          1HG1      VAL  33 -12.288  -0.785  -3.044
  195   2HG1  VAL  33          2HG1      VAL  33 -10.761  -1.634  -3.205
  196   3HG1  VAL  33          3HG1      VAL  33 -12.272  -2.502  -3.420
  197   1HG2  VAL  33          1HG2      VAL  33 -10.326  -1.211  -6.686
  198   2HG2  VAL  33          2HG2      VAL  33 -10.115  -2.530  -5.551
  199   3HG2  VAL  33          3HG2      VAL  33  -9.623  -0.912  -5.108
  200    H    GLY  34           H        GLY  34 -12.019  -0.081  -7.326
  201   1HA   GLY  34          2HA       GLY  34 -14.577   1.221  -7.700
  202   2HA   GLY  34          1HA       GLY  34 -13.076   1.597  -8.547
  203    H    SER  35           H        SER  35 -12.520  -0.864  -9.734
  204    HA   SER  35           HA       SER  35 -14.498  -2.285 -11.021
  205   1HB   SER  35          2HB       SER  35 -14.345   0.520 -12.060
  206   2HB   SER  35          1HB       SER  35 -14.432  -0.753 -13.273
  207    HG   SER  35           HG       SER  35 -16.510  -0.097 -12.620
  208    H    ASN  36           H        ASN  36 -11.527  -0.429 -11.504
  209    HA   ASN  36           HA       ASN  36 -10.566  -2.146 -13.659
  210   1HB   ASN  36          2HB       ASN  36  -9.399   0.059 -11.940
  211   2HB   ASN  36          1HB       ASN  36  -8.319  -0.944 -12.920
  212   1HD2  ASN  36          1HD2      ASN  36  -8.407   1.692 -13.600
  213   2HD2  ASN  36          2HD2      ASN  36  -9.312   1.892 -15.058
  214    H    SER  37           H        SER  37  -8.933  -1.543 -10.548
  215    HA   SER  37           HA       SER  37  -9.015  -3.904  -9.232
  216   1HB   SER  37          2HB       SER  37  -8.316  -5.500 -10.731
  217   2HB   SER  37          1HB       SER  37  -7.616  -4.299 -11.821
  218    HG   SER  37           HG       SER  37  -6.080  -5.703 -10.759
  219    H    TYR  38           H        TYR  38  -7.877  -3.475  -7.413
  220    HA   TYR  38           HA       TYR  38  -5.503  -1.704  -7.740
  221   1HB   TYR  38          2HB       TYR  38  -7.832  -1.169  -6.314
  222   2HB   TYR  38          1HB       TYR  38  -6.606  -1.480  -5.078
  223    HD1  TYR  38           1HD      TYR  38  -7.744   0.772  -7.673
  224    HD2  TYR  38           2HD      TYR  38  -4.392  -0.314  -5.231
  225    HE1  TYR  38           1HE      TYR  38  -6.641   2.924  -8.224
  226    HE2  TYR  38           2HE      TYR  38  -3.319   1.857  -5.750
  227    HH   TYR  38           HH       TYR  38  -3.387   3.585  -7.584
  228    HA   PRO  39           HA       PRO  39  -4.172  -4.598  -4.236
  229   1HB   PRO  39          2HB       PRO  39  -5.522  -6.948  -3.916
  230   2HB   PRO  39          1HB       PRO  39  -5.898  -5.461  -3.050
  231   1HG   PRO  39          2HG       PRO  39  -7.392  -6.776  -5.265
  232   2HG   PRO  39          1HG       PRO  39  -7.977  -5.653  -4.031
  233   1HD   PRO  39          2HD       PRO  39  -7.331  -5.071  -6.740
  234   2HD   PRO  39          1HD       PRO  39  -7.774  -3.890  -5.480
  235    H    HIS  40           H        HIS  40  -2.372  -5.013  -5.536
  236    HA   HIS  40           HA       HIS  40  -2.377  -7.689  -6.896
  237   1HB   HIS  40          2HB       HIS  40  -0.489  -5.953  -8.240
  238   2HB   HIS  40          1HB       HIS  40  -1.882  -6.803  -8.900
  239    HD1  HIS  40           1HD      HIS  40  -4.227  -5.560  -8.598
  240    HD2  HIS  40           2HD      HIS  40  -0.839  -3.193  -8.286
  241    HE1  HIS  40           1HE      HIS  40  -4.910  -3.213  -8.985
  242    HE2  HIS  40           2HE      HIS  40  -2.982  -1.741  -8.296
  243    H    LYS  41           H        LYS  41   0.208  -7.950  -7.525
  244    HA   LYS  41           HA       LYS  41   1.473  -8.124  -4.913
  245   1HB   LYS  41          2HB       LYS  41   2.980  -9.589  -5.855
  246   2HB   LYS  41          1HB       LYS  41   1.616  -9.805  -6.944
  247   1HG   LYS  41          2HG       LYS  41   4.010  -7.988  -7.415
  248   2HG   LYS  41          1HG       LYS  41   3.691  -9.521  -8.205
  249   1HD   LYS  41          2HD       LYS  41   1.727  -7.206  -8.404
  250   2HD   LYS  41          1HD       LYS  41   3.040  -7.453  -9.509
  251   1HE   LYS  41          2HE       LYS  41   1.159  -9.728  -8.924
  252   2HE   LYS  41          1HE       LYS  41   0.743  -8.468 -10.082
  253   1HZ   LYS  41          1HZ       LYS  41   3.193 -10.147 -10.165
  254   2HZ   LYS  41          2HZ       LYS  41   2.831  -8.897 -11.249
  255   3HZ   LYS  41          3HZ       LYS  41   1.854 -10.273 -11.186
  256    H    TYR  42           H        TYR  42   3.654  -7.197  -4.471
  257    HA   TYR  42           HA       TYR  42   4.104  -4.680  -6.018
  258   1HB   TYR  42          2HB       TYR  42   3.361  -3.867  -3.981
  259   2HB   TYR  42          1HB       TYR  42   4.037  -5.193  -3.064
  260    HD1  TYR  42           1HD      TYR  42   4.617  -1.888  -4.416
  261    HD2  TYR  42           2HD      TYR  42   6.544  -5.303  -2.709
  262    HE1  TYR  42           1HE      TYR  42   6.642  -0.537  -3.946
  263    HE2  TYR  42           2HE      TYR  42   8.550  -3.979  -2.229
  264    HH   TYR  42           HH       TYR  42   8.890  -1.223  -1.852
  265    H    ASN  43           H        ASN  43   6.059  -4.620  -6.974
  266    HA   ASN  43           HA       ASN  43   8.213  -6.432  -5.921
  267   1HB   ASN  43          2HB       ASN  43   9.081  -5.764  -8.430
  268   2HB   ASN  43          1HB       ASN  43   8.076  -7.170  -8.092
  269   1HD2  ASN  43          1HD2      ASN  43   5.739  -6.939  -8.483
  270   2HD2  ASN  43          2HD2      ASN  43   5.197  -5.733  -9.594
  271    H    ASN  44           H        ASN  44   8.283  -3.523  -8.022
  272    HA   ASN  44           HA       ASN  44   9.260  -1.487  -7.682
  273   1HB   ASN  44          2HB       ASN  44   8.399  -1.811  -5.329
  274   2HB   ASN  44          1HB       ASN  44   9.995  -2.315  -4.828
  275   1HD2  ASN  44          1HD2      ASN  44  10.740  -0.188  -7.209
  276   2HD2  ASN  44          2HD2      ASN  44  10.697   1.247  -6.301
  277    H    TYR  45           H        TYR  45  11.345  -3.489  -5.516
  278    HA   TYR  45           HA       TYR  45  13.612  -3.934  -5.658
  279   1HB   TYR  45          2HB       TYR  45  12.896  -3.927  -8.627
  280   2HB   TYR  45          1HB       TYR  45  14.454  -4.445  -7.992
  281    HD1  TYR  45           1HD      TYR  45  10.805  -5.056  -7.465
  282    HD2  TYR  45           2HD      TYR  45  14.758  -6.677  -7.475
  283    HE1  TYR  45           1HE      TYR  45   9.885  -7.302  -6.970
  284    HE2  TYR  45           2HE      TYR  45  13.828  -8.930  -7.016
  285    HH   TYR  45           HH       TYR  45  11.109  -9.965  -7.543
  286    H    GLU  46           H        GLU  46  13.022  -1.264  -5.231
  287    HA   GLU  46           HA       GLU  46  14.658   0.325  -7.132
  288   1HB   GLU  46          2HB       GLU  46  12.903   1.690  -6.630
  289   2HB   GLU  46          1HB       GLU  46  12.504   0.785  -5.174
  290   1HG   GLU  46          2HG       GLU  46  13.101   2.965  -4.540
  291   2HG   GLU  46          1HG       GLU  46  14.410   1.912  -3.990
  292    H    GLY  47           H        GLY  47  14.741  -1.040  -3.920
  293   1HA   GLY  47          2HA       GLY  47  17.445  -1.136  -3.508
  294   2HA   GLY  47          1HA       GLY  47  17.063   0.524  -3.037
  295    H    PHE  48           H        PHE  48  14.293  -0.464  -2.206
  296    HA   PHE  48           HA       PHE  48  15.146  -1.592   0.430
  297   1HB   PHE  48          2HB       PHE  48  12.819  -0.601   1.126
  298   2HB   PHE  48          1HB       PHE  48  14.195   0.485   0.926
  299    HD1  PHE  48           1HD      PHE  48  11.099  -0.736  -0.661
  300    HD2  PHE  48           2HD      PHE  48  14.336   2.053  -0.889
  301    HE1  PHE  48           1HE      PHE  48   9.853   0.563  -2.347
  302    HE2  PHE  48           2HE      PHE  48  13.102   3.340  -2.603
  303    HZ   PHE  48           HZ       PHE  48  10.874   2.559  -3.370
  304    H    ASP  49           H        ASP  49  14.129  -3.452   1.135
  305    HA   ASP  49           HA       ASP  49  11.992  -4.571  -0.648
  306   1HB   ASP  49          2HB       ASP  49  14.555  -5.732   0.337
  307   2HB   ASP  49          1HB       ASP  49  13.155  -6.799   0.488
  308    H    PHE  50           H        PHE  50  13.048  -3.920   2.618
  309    HA   PHE  50           HA       PHE  50  11.721  -3.840   4.528
  310   1HB   PHE  50          2HB       PHE  50   9.512  -5.363   3.123
  311   2HB   PHE  50          1HB       PHE  50   9.408  -4.219   4.439
  312    HD1  PHE  50           1HD      PHE  50   8.206  -4.357   1.416
  313    HD2  PHE  50           2HD      PHE  50  11.147  -2.020   3.499
  314    HE1  PHE  50           1HE      PHE  50   7.815  -2.476  -0.146
  315    HE2  PHE  50           2HE      PHE  50  10.774  -0.152   1.926
  316    HZ   PHE  50           HZ       PHE  50   9.100  -0.372   0.111
  317    H    SER  51           H        SER  51  10.634  -5.598   6.047
  318    HA   SER  51           HA       SER  51  12.028  -8.215   5.543
  319   1HB   SER  51          2HB       SER  51  12.035  -8.280   8.161
  320   2HB   SER  51          1HB       SER  51  13.200  -7.246   7.338
  321    HG   SER  51           HG       SER  51  12.076  -5.476   7.883
  322    H    VAL  52           H        VAL  52   9.337  -7.662   4.697
  323    HA   VAL  52           HA       VAL  52   7.667  -9.056   6.751
  324    HB   VAL  52           HB       VAL  52   7.054  -7.455   4.274
  325   1HG1  VAL  52          1HG1      VAL  52   5.542  -9.247   4.002
  326   2HG1  VAL  52          2HG1      VAL  52   4.607  -8.043   4.860
  327   3HG1  VAL  52          3HG1      VAL  52   5.282  -9.419   5.735
  328   1HG2  VAL  52          1HG2      VAL  52   6.338  -7.281   7.203
  329   2HG2  VAL  52          2HG2      VAL  52   5.551  -6.322   5.968
  330   3HG2  VAL  52          3HG2      VAL  52   7.278  -6.132   6.251
  331    H    SER  53           H        SER  53   7.903  -9.231   3.159
  332    HA   SER  53           HA       SER  53   8.536 -12.070   3.244
  333   1HB   SER  53          2HB       SER  53   5.840 -11.496   3.622
  334   2HB   SER  53          1HB       SER  53   5.949 -11.767   1.891
  335    HG   SER  53           HG       SER  53   6.700 -13.806   2.244
  336    H    SER  54           H        SER  54   8.234 -13.001   0.915
  337    HA   SER  54           HA       SER  54   9.561 -11.147  -0.908
  338   1HB   SER  54          2HB       SER  54   8.544 -13.678  -2.079
  339   2HB   SER  54          1HB       SER  54  10.159 -12.998  -2.027
  340    HG   SER  54           HG       SER  54   9.108 -14.876  -0.420
  341    HA   PRO  55           HA       PRO  55   5.507 -11.649  -3.394
  342   1HB   PRO  55          2HB       PRO  55   3.404 -12.908  -2.174
  343   2HB   PRO  55          1HB       PRO  55   4.633 -13.738  -3.122
  344   1HG   PRO  55          2HG       PRO  55   4.299 -13.676  -0.168
  345   2HG   PRO  55          1HG       PRO  55   5.009 -14.931  -1.170
  346   1HD   PRO  55          2HD       PRO  55   6.392 -13.027   0.336
  347   2HD   PRO  55          1HD       PRO  55   7.088 -14.083  -0.881
  348    H    TYR  56           H        TYR  56   5.746  -9.392  -2.715
  349    HA   TYR  56           HA       TYR  56   4.123  -8.401  -0.498
  350   1HB   TYR  56          2HB       TYR  56   5.712  -7.116  -2.697
  351   2HB   TYR  56          1HB       TYR  56   4.762  -6.142  -1.624
  352    HD1  TYR  56           1HD      TYR  56   5.084  -6.589   0.939
  353    HD2  TYR  56           2HD      TYR  56   7.895  -7.660  -2.112
  354    HE1  TYR  56           1HE      TYR  56   6.883  -6.631   2.618
  355    HE2  TYR  56           2HE      TYR  56   9.701  -7.736  -0.417
  356    HH   TYR  56           HH       TYR  56   9.629  -8.157   2.357
  357    H    TYR  57           H        TYR  57   2.712  -6.327  -1.237
  358    HA   TYR  57           HA       TYR  57   1.261  -6.720  -3.699
  359   1HB   TYR  57          2HB       TYR  57  -0.035  -7.251  -1.041
  360   2HB   TYR  57          1HB       TYR  57  -0.974  -7.023  -2.528
  361    HD1  TYR  57           1HD      TYR  57   1.161  -9.263  -0.590
  362    HD2  TYR  57           2HD      TYR  57  -0.778  -8.693  -4.362
  363    HE1  TYR  57           1HE      TYR  57   1.493 -11.660  -1.140
  364    HE2  TYR  57           2HE      TYR  57  -0.419 -11.055  -4.937
  365    HH   TYR  57           HH       TYR  57   1.642 -12.967  -3.733
  366    H    GLU  58           H        GLU  58   0.399  -4.801  -4.381
  367    HA   GLU  58           HA       GLU  58   0.867  -2.502  -2.561
  368   1HB   GLU  58          2HB       GLU  58   0.497  -1.155  -4.625
  369   2HB   GLU  58          1HB       GLU  58   1.849  -2.260  -4.704
  370   1HG   GLU  58          2HG       GLU  58  -0.516  -3.655  -5.637
  371   2HG   GLU  58          1HG       GLU  58  -0.416  -2.089  -6.429
  372    H    TRP  59           H        TRP  59  -0.671  -1.140  -1.865
  373    HA   TRP  59           HA       TRP  59  -3.390  -1.108  -2.896
  374   1HB   TRP  59          2HB       TRP  59  -3.755  -3.011  -1.498
  375   2HB   TRP  59          1HB       TRP  59  -2.750  -2.352  -0.200
  376    HD1  TRP  59           HD       TRP  59  -3.843  -0.709   1.477
  377    HE1  TRP  59           1HE      TRP  59  -6.255   0.076   1.887
  378    HE3  TRP  59           3HE      TRP  59  -6.076  -2.491  -2.770
  379    HZ2  TRP  59           2HZ      TRP  59  -8.790  -0.040   0.550
  380    HZ3  TRP  59           3HZ      TRP  59  -8.498  -2.135  -3.153
  381    HH2  TRP  59           HH       TRP  59  -9.861  -0.920  -1.496
  382    HA   PRO  60           HA       PRO  60  -2.593   3.000  -1.355
  383   1HB   PRO  60          2HB       PRO  60  -5.149   3.992  -1.483
  384   2HB   PRO  60          1HB       PRO  60  -4.086   3.783  -2.874
  385   1HG   PRO  60          2HG       PRO  60  -6.355   2.049  -1.994
  386   2HG   PRO  60          1HG       PRO  60  -5.827   2.410  -3.637
  387   1HD   PRO  60          2HD       PRO  60  -5.293   0.084  -2.312
  388   2HD   PRO  60          1HD       PRO  60  -4.331   0.685  -3.599
  389    H    ILE  61           H        ILE  61  -2.640   4.065   0.591
  390    HA   ILE  61           HA       ILE  61  -4.165   2.728   2.801
  391    HB   ILE  61           HB       ILE  61  -1.895   2.614   3.347
  392   1HG1  ILE  61          2HG1      ILE  61  -1.601   4.109   5.227
  393   2HG1  ILE  61          1HG1      ILE  61  -2.695   5.293   4.543
  394   1HG2  ILE  61          1HG2      ILE  61  -0.912   3.907   1.602
  395   2HG2  ILE  61          2HG2      ILE  61  -0.391   4.657   3.092
  396   3HG2  ILE  61          3HG2      ILE  61  -1.680   5.389   2.148
  397   1HD1  ILE  61          1HD1      ILE  61  -4.579   3.786   4.848
  398   2HD1  ILE  61          2HD1      ILE  61  -3.716   3.914   6.330
  399   3HD1  ILE  61          3HD1      ILE  61  -3.481   2.507   5.308
  400    H    LEU  62           H        LEU  62  -5.982   3.858   3.359
  401    HA   LEU  62           HA       LEU  62  -5.864   6.856   3.208
  402   1HB   LEU  62          2HB       LEU  62  -8.481   5.402   3.253
  403   2HB   LEU  62          1HB       LEU  62  -8.028   6.926   2.475
  404    HG   LEU  62           HG       LEU  62  -7.449   4.108   1.534
  405   1HD1  LEU  62          1HD1      LEU  62  -8.426   5.071  -0.565
  406   2HD1  LEU  62          2HD1      LEU  62  -8.779   6.547   0.319
  407   3HD1  LEU  62          3HD1      LEU  62  -9.547   5.041   0.783
  408   1HD2  LEU  62          1HD2      LEU  62  -6.349   5.850  -0.327
  409   2HD2  LEU  62          2HD2      LEU  62  -5.462   4.834   0.748
  410   3HD2  LEU  62          3HD2      LEU  62  -5.775   6.518   1.177
  411    H    SER  63           H        SER  63  -7.238   7.927   4.873
  412    HA   SER  63           HA       SER  63  -8.138   6.470   7.189
  413   1HB   SER  63          2HB       SER  63  -5.345   6.858   7.090
  414   2HB   SER  63          1HB       SER  63  -5.905   8.028   8.261
  415    HG   SER  63           HG       SER  63  -6.743   6.390   9.450
  416    H    SER  64           H        SER  64  -9.514   8.276   5.868
  417    HA   SER  64           HA       SER  64 -10.201  10.257   7.777
  418   1HB   SER  64          2HB       SER  64  -7.985  11.004   5.977
  419   2HB   SER  64          1HB       SER  64  -9.309  12.159   5.928
  420    HG   SER  64           HG       SER  64  -7.911  12.695   7.595
  421    H    GLY  65           H        GLY  65 -11.451   8.407   5.958
  422   1HA   GLY  65          2HA       GLY  65 -13.625   9.959   5.015
  423   2HA   GLY  65          1HA       GLY  65 -12.546   9.677   3.645
  424    H    ASP  66           H        ASP  66 -11.846   7.295   3.398
  425    HA   ASP  66           HA       ASP  66 -13.456   5.223   4.554
  426   1HB   ASP  66          2HB       ASP  66 -14.875   6.680   2.632
  427   2HB   ASP  66          1HB       ASP  66 -14.251   5.324   1.698
  428    H    VAL  67           H        VAL  67 -13.157   3.124   3.290
  429    HA   VAL  67           HA       VAL  67 -10.371   2.750   2.728
  430    HB   VAL  67           HB       VAL  67 -12.702   0.971   1.899
  431   1HG1  VAL  67          1HG1      VAL  67 -10.646   0.312   0.819
  432   2HG1  VAL  67          2HG1      VAL  67 -10.952  -0.815   2.128
  433   3HG1  VAL  67          3HG1      VAL  67  -9.740   0.454   2.330
  434   1HG2  VAL  67          1HG2      VAL  67 -12.834   1.422   4.284
  435   2HG2  VAL  67          2HG2      VAL  67 -11.108   1.125   4.478
  436   3HG2  VAL  67          3HG2      VAL  67 -12.193  -0.198   4.057
  437    H    TYR  68           H        TYR  68  -9.320   2.382   0.658
  438    HA   TYR  68           HA       TYR  68 -10.057   4.118  -1.423
  439   1HB   TYR  68          2HB       TYR  68  -7.825   3.062  -1.279
  440   2HB   TYR  68          1HB       TYR  68  -8.523   1.512  -1.735
  441    HD1  TYR  68           1HD      TYR  68  -7.152   4.566  -2.950
  442    HD2  TYR  68           2HD      TYR  68  -9.843   1.368  -3.948
  443    HE1  TYR  68           1HE      TYR  68  -6.997   5.178  -5.348
  444    HE2  TYR  68           2HE      TYR  68  -9.706   1.987  -6.334
  445    HH   TYR  68           HH       TYR  68  -8.929   4.621  -7.537
  446    H    SER  69           H        SER  69 -11.379   3.964  -3.202
  447    HA   SER  69           HA       SER  69 -12.529   1.389  -4.016
  448   1HB   SER  69          2HB       SER  69 -14.094   1.718  -2.279
  449   2HB   SER  69          1HB       SER  69 -14.145   3.466  -2.540
  450    HG   SER  69           HG       SER  69 -15.332   1.409  -4.059
  451    H    GLY  70           H        GLY  70 -11.088   3.903  -5.087
  452   1HA   GLY  70          2HA       GLY  70 -11.405   4.108  -7.612
  453   2HA   GLY  70          1HA       GLY  70 -13.043   4.625  -7.226
  454    H    GLY  71           H        GLY  71 -11.064   6.210  -8.612
  455   1HA   GLY  71          2HA       GLY  71 -11.318   8.729  -8.052
  456   2HA   GLY  71          1HA       GLY  71 -10.430   8.336  -6.581
  457    H    SER  72           H        SER  72  -8.406   9.179  -6.862
  458    HA   SER  72           HA       SER  72  -7.109   8.778  -9.510
  459   1HB   SER  72          2HB       SER  72  -7.020  10.920  -7.499
  460   2HB   SER  72          1HB       SER  72  -5.439  10.478  -8.150
  461    HG   SER  72           HG       SER  72  -7.702  11.451  -9.509
  462    HA   PRO  73           HA       PRO  73  -4.583   5.789  -7.350
  463   1HB   PRO  73          2HB       PRO  73  -3.000   5.129  -9.504
  464   2HB   PRO  73          1HB       PRO  73  -4.649   4.559  -9.303
  465   1HG   PRO  73          2HG       PRO  73  -3.631   6.662 -11.149
  466   2HG   PRO  73          1HG       PRO  73  -5.041   5.601 -11.319
  467   1HD   PRO  73          2HD       PRO  73  -5.077   8.327 -10.510
  468   2HD   PRO  73          1HD       PRO  73  -6.421   7.169 -10.420
  469    H    GLY  74           H        GLY  74  -1.974   5.328  -7.576
  470   1HA   GLY  74          2HA       GLY  74   0.174   6.173  -7.245
  471   2HA   GLY  74          1HA       GLY  74  -0.352   7.727  -7.889
  472    H    ALA  75           H        ALA  75   1.021   8.529  -6.007
  473    HA   ALA  75           HA       ALA  75   0.976   9.718  -4.013
  474   1HB   ALA  75          1HB       ALA  75  -1.706   8.568  -3.255
  475   2HB   ALA  75          2HB       ALA  75  -1.598   9.726  -4.581
  476   3HB   ALA  75          3HB       ALA  75  -1.036  10.173  -2.980
  477    H    ASP  76           H        ASP  76  -0.316   8.709  -1.562
  478    HA   ASP  76           HA       ASP  76   1.757   7.015  -0.607
  479   1HB   ASP  76          2HB       ASP  76  -1.026   7.232   0.602
  480   2HB   ASP  76          1HB       ASP  76   0.503   6.912   1.435
  481    H    ARG  77           H        ARG  77   1.437   4.765   0.251
  482    HA   ARG  77           HA       ARG  77  -0.715   3.092  -0.459
  483   1HB   ARG  77          2HB       ARG  77   0.392   1.911  -2.451
  484   2HB   ARG  77          1HB       ARG  77  -0.280   3.505  -2.764
  485   1HG   ARG  77          2HG       ARG  77   1.813   4.559  -2.797
  486   2HG   ARG  77          1HG       ARG  77   2.590   3.221  -2.021
  487   1HD   ARG  77          2HD       ARG  77   3.020   3.441  -4.458
  488   2HD   ARG  77          1HD       ARG  77   2.430   1.857  -3.967
  489    HE   ARG  77           HE       ARG  77   0.761   4.006  -5.128
  490   1HH1  ARG  77          1HH1      ARG  77   1.372   0.788  -5.900
  491   2HH1  ARG  77          2HH1      ARG  77  -0.260   0.257  -5.701
  492   1HH2  ARG  77          1HH2      ARG  77  -1.362   3.229  -4.299
  493   2HH2  ARG  77          2HH2      ARG  77  -1.762   1.592  -4.672
  494    H    VAL  78           H        VAL  78  -0.163   2.046   1.494
  495    HA   VAL  78           HA       VAL  78   2.572   1.193   1.985
  496    HB   VAL  78           HB       VAL  78   0.738   1.798   3.726
  497   1HG1  VAL  78          1HG1      VAL  78  -0.708   0.071   4.445
  498   2HG1  VAL  78          2HG1      VAL  78   0.141  -1.159   3.525
  499   3HG1  VAL  78          3HG1      VAL  78  -0.855   0.043   2.698
  500   1HG2  VAL  78          1HG2      VAL  78   1.800   0.385   5.357
  501   2HG2  VAL  78          2HG2      VAL  78   2.984   0.945   4.247
  502   3HG2  VAL  78          3HG2      VAL  78   2.405  -0.716   4.121
  503    H    VAL  79           H        VAL  79   3.445  -0.848   1.760
  504    HA   VAL  79           HA       VAL  79   1.933  -2.767   0.060
  505    HB   VAL  79           HB       VAL  79   4.842  -2.424   0.821
  506   1HG1  VAL  79          1HG1      VAL  79   4.342  -4.856   0.930
  507   2HG1  VAL  79          2HG1      VAL  79   5.347  -4.468  -0.426
  508   3HG1  VAL  79          3HG1      VAL  79   3.635  -4.765  -0.657
  509   1HG2  VAL  79          1HG2      VAL  79   5.170  -2.009  -1.429
  510   2HG2  VAL  79          2HG2      VAL  79   3.624  -1.234  -1.122
  511   3HG2  VAL  79          3HG2      VAL  79   3.664  -2.790  -1.916
  512    H    PHE  80           H        PHE  80   2.258  -5.130   0.634
  513    HA   PHE  80           HA       PHE  80   2.657  -5.736   3.455
  514   1HB   PHE  80          2HB       PHE  80   0.281  -6.518   3.742
  515   2HB   PHE  80          1HB       PHE  80   0.469  -4.786   3.508
  516    HD1  PHE  80           1HD      PHE  80   0.258  -3.868   1.061
  517    HD2  PHE  80           2HD      PHE  80  -1.206  -7.690   2.352
  518    HE1  PHE  80           1HE      PHE  80  -1.220  -3.947  -0.893
  519    HE2  PHE  80           2HE      PHE  80  -2.716  -7.759   0.385
  520    HZ   PHE  80           HZ       PHE  80  -2.720  -5.886  -1.243
  521    H    ASN  81           H        ASN  81   1.548  -8.190   3.657
  522    HA   ASN  81           HA       ASN  81   2.505  -9.652   1.215
  523   1HB   ASN  81          2HB       ASN  81   4.165 -10.027   2.853
  524   2HB   ASN  81          1HB       ASN  81   2.992 -10.214   4.157
  525   1HD2  ASN  81          1HD2      ASN  81   4.097 -11.743   1.109
  526   2HD2  ASN  81          2HD2      ASN  81   3.663 -13.336   1.619
  527    H    GLU  82           H        GLU  82   1.051 -10.891   4.191
  528    HA   GLU  82           HA       GLU  82  -1.539 -11.285   2.886
  529   1HB   GLU  82          2HB       GLU  82   0.333 -13.589   3.512
  530   2HB   GLU  82          1HB       GLU  82  -1.411 -13.807   3.287
  531   1HG   GLU  82          2HG       GLU  82  -1.219 -12.761   1.028
  532   2HG   GLU  82          1HG       GLU  82   0.533 -12.698   1.257
  533    H    ASN  83           H        ASN  83  -0.014 -10.357   5.528
  534    HA   ASN  83           HA       ASN  83  -2.172 -11.387   7.288
  535   1HB   ASN  83          2HB       ASN  83   0.542 -12.212   7.463
  536   2HB   ASN  83          1HB       ASN  83   0.331 -11.031   8.755
  537   1HD2  ASN  83          1HD2      ASN  83  -2.329 -11.470   9.511
  538   2HD2  ASN  83          2HD2      ASN  83  -2.451 -13.084  10.105
  539    H    ASN  84           H        ASN  84  -0.908  -8.747   5.888
  540    HA   ASN  84           HA       ASN  84  -1.159  -6.516   6.319
  541   1HB   ASN  84          2HB       ASN  84  -2.969  -5.962   7.556
  542   2HB   ASN  84          1HB       ASN  84  -3.205  -7.686   7.796
  543   1HD2  ASN  84          1HD2      ASN  84  -3.788  -5.347   9.611
  544   2HD2  ASN  84          2HD2      ASN  84  -2.952  -5.730  11.074
  545    H    GLN  85           H        GLN  85   1.017  -8.351   7.502
  546    HA   GLN  85           HA       GLN  85   1.994  -7.309   9.938
  547   1HB   GLN  85          2HB       GLN  85   4.010  -7.899   7.786
  548   2HB   GLN  85          1HB       GLN  85   3.964  -8.419   9.478
  549   1HG   GLN  85          2HG       GLN  85   1.798  -9.745   8.578
  550   2HG   GLN  85          1HG       GLN  85   2.717  -9.642   7.065
  551   1HE2  GLN  85          1HE2      GLN  85   2.212 -11.615   9.658
  552   2HE2  GLN  85          2HE2      GLN  85   3.749 -12.398   9.693
  553    H    LEU  86           H        LEU  86   2.082  -6.058   6.655
  554    HA   LEU  86           HA       LEU  86   2.247  -3.846   6.046
  555   1HB   LEU  86          2HB       LEU  86   1.954  -3.318   8.597
  556   2HB   LEU  86          1HB       LEU  86   3.715  -3.133   8.610
  557    HG   LEU  86           HG       LEU  86   2.632  -0.967   8.228
  558   1HD1  LEU  86          1HD1      LEU  86   4.815  -1.720   7.004
  559   2HD1  LEU  86          2HD1      LEU  86   3.967  -0.291   6.443
  560   3HD1  LEU  86          3HD1      LEU  86   3.772  -1.793   5.576
  561   1HD2  LEU  86          1HD2      LEU  86   0.647  -2.195   7.057
  562   2HD2  LEU  86          2HD2      LEU  86   1.573  -1.959   5.584
  563   3HD2  LEU  86          3HD2      LEU  86   1.078  -0.584   6.570
  564    H    ALA  87           H        ALA  87   3.688  -4.081   4.425
  565    HA   ALA  87           HA       ALA  87   6.452  -4.876   4.782
  566   1HB   ALA  87          1HB       ALA  87   6.655  -4.408   2.426
  567   2HB   ALA  87          2HB       ALA  87   5.166  -3.517   2.446
  568   3HB   ALA  87          3HB       ALA  87   5.152  -5.251   2.703
  569    H    GLY  88           H        GLY  88   4.924  -1.798   3.868
  570   1HA   GLY  88          2HA       GLY  88   6.424  -0.102   5.519
  571   2HA   GLY  88          1HA       GLY  88   7.396  -0.289   4.055
  572    H    VAL  89           H        VAL  89   6.490   2.236   4.539
  573    HA   VAL  89           HA       VAL  89   3.998   2.537   2.901
  574    HB   VAL  89           HB       VAL  89   5.471   4.450   4.701
  575   1HG1  VAL  89          1HG1      VAL  89   3.073   4.873   2.908
  576   2HG1  VAL  89          2HG1      VAL  89   4.610   5.732   2.839
  577   3HG1  VAL  89          3HG1      VAL  89   3.533   5.979   4.201
  578   1HG2  VAL  89          1HG2      VAL  89   4.103   2.826   5.901
  579   2HG2  VAL  89          2HG2      VAL  89   2.773   3.084   4.806
  580   3HG2  VAL  89          3HG2      VAL  89   3.231   4.343   5.896
  581    H    ILE  90           H        ILE  90   4.223   3.125   0.808
  582    HA   ILE  90           HA       ILE  90   6.714   4.599   0.000
  583    HB   ILE  90           HB       ILE  90   6.691   3.373  -2.076
  584   1HG1  ILE  90          2HG1      ILE  90   4.055   2.478  -1.045
  585   2HG1  ILE  90          1HG1      ILE  90   4.544   2.745  -2.698
  586   1HG2  ILE  90          1HG2      ILE  90   6.434   1.428   0.225
  587   2HG2  ILE  90          2HG2      ILE  90   7.836   2.454  -0.054
  588   3HG2  ILE  90          3HG2      ILE  90   7.414   1.230  -1.233
  589   1HD1  ILE  90          1HD1      ILE  90   5.868   0.603  -2.509
  590   2HD1  ILE  90          2HD1      ILE  90   4.128   0.418  -2.457
  591   3HD1  ILE  90          3HD1      ILE  90   5.061   0.326  -0.970
  592    H    THR  91           H        THR  91   6.370   6.138  -1.735
  593    HA   THR  91           HA       THR  91   3.486   6.872  -2.062
  594    HB   THR  91           HB       THR  91   4.709   8.544  -0.742
  595    HG1  THR  91           1HG      THR  91   4.457   9.705  -3.311
  596   1HG2  THR  91          1HG2      THR  91   6.561   8.664  -3.147
  597   2HG2  THR  91          2HG2      THR  91   6.974   8.090  -1.532
  598   3HG2  THR  91          3HG2      THR  91   6.571   9.777  -1.788
  599    H    HIS  92           H        HIS  92   3.044   8.084  -4.128
  600    HA   HIS  92           HA       HIS  92   4.771   7.084  -6.346
  601   1HB   HIS  92          2HB       HIS  92   1.927   6.767  -5.830
  602   2HB   HIS  92          1HB       HIS  92   2.192   7.438  -7.428
  603    HD1  HIS  92           1HD      HIS  92   1.909   5.439  -8.896
  604    HD2  HIS  92           2HD      HIS  92   4.354   4.651  -5.611
  605    HE1  HIS  92           1HE      HIS  92   2.812   3.102  -9.224
  606    HE2  HIS  92           2HE      HIS  92   4.640   2.963  -7.537
  607    H    THR  93           H        THR  93   5.753   9.302  -5.734
  608    HA   THR  93           HA       THR  93   4.932  11.154  -7.801
  609    HB   THR  93           HB       THR  93   4.587  12.193  -4.955
  610    HG1  THR  93           1HG      THR  93   2.813  11.021  -5.008
  611   1HG2  THR  93          1HG2      THR  93   3.393  13.999  -6.124
  612   2HG2  THR  93          2HG2      THR  93   3.726  13.228  -7.674
  613   3HG2  THR  93          3HG2      THR  93   5.054  13.861  -6.698
  614    H    GLY  94           H        GLY  94   6.816  12.135  -8.424
  615   1HA   GLY  94          2HA       GLY  94   8.746  13.524  -7.857
  616   2HA   GLY  94          1HA       GLY  94   8.924  12.653  -6.340
  617    H    ALA  95           H        ALA  95   8.293  10.083  -8.023
  618    HA   ALA  95           HA       ALA  95  11.123   9.730  -8.930
  619   1HB   ALA  95          1HB       ALA  95  10.463   7.255  -8.786
  620   2HB   ALA  95          2HB       ALA  95   9.038   7.820  -7.936
  621   3HB   ALA  95          3HB       ALA  95  10.620   8.141  -7.273
  622    H    SER  96           H        SER  96  10.914  10.533 -11.072
  623    HA   SER  96           HA       SER  96  10.157  10.581 -13.292
  624   1HB   SER  96          2HB       SER  96  10.339   7.622 -12.646
  625   2HB   SER  96          1HB       SER  96  10.106   8.230 -14.291
  626    HG   SER  96           HG       SER  96  12.351   7.853 -13.590
  627    H    GLY  97           H        GLY  97   8.008  11.225 -11.793
  628   1HA   GLY  97          2HA       GLY  97   5.701  11.353 -12.590
  629   2HA   GLY  97          1HA       GLY  97   5.776   9.659 -13.065
  630    H    ASN  98           H        ASN  98   6.215   8.101 -11.180
  631    HA   ASN  98           HA       ASN  98   5.224   9.127  -8.605
  632   1HB   ASN  98          2HB       ASN  98   3.859   6.698  -8.927
  633   2HB   ASN  98          1HB       ASN  98   3.145   8.277  -8.948
  634   1HD2  ASN  98          1HD2      ASN  98   2.134   8.886 -10.813
  635   2HD2  ASN  98          2HD2      ASN  98   2.356   8.080 -12.324
  636    H    ASN  99           H        ASN  99   5.471   5.758  -9.738
  637    HA   ASN  99           HA       ASN  99   6.756   4.024  -8.944
  638   1HB   ASN  99          2HB       ASN  99   8.527   6.027  -9.734
  639   2HB   ASN  99          1HB       ASN  99   9.045   5.688  -8.081
  640   1HD2  ASN  99          1HD2      ASN  99   9.545   4.702 -11.208
  641   2HD2  ASN  99          2HD2      ASN  99  10.105   3.103 -10.866
  642    H    PHE 100           H        PHE 100   7.715   3.126  -6.906
  643    HA   PHE 100           HA       PHE 100   6.468   4.480  -4.569
  644   1HB   PHE 100          2HB       PHE 100   7.678   1.843  -4.066
  645   2HB   PHE 100          1HB       PHE 100   6.106   2.474  -3.716
  646    HD1  PHE 100           1HD      PHE 100   4.219   2.090  -5.069
  647    HD2  PHE 100           2HD      PHE 100   8.095   0.957  -6.376
  648    HE1  PHE 100           1HE      PHE 100   3.193   0.789  -6.905
  649    HE2  PHE 100           2HE      PHE 100   7.110  -0.379  -8.207
  650    HZ   PHE 100           HZ       PHE 100   4.646  -0.453  -8.476
  651    H    VAL 101           H        VAL 101   7.656   5.048  -2.752
  652    HA   VAL 101           HA       VAL 101  10.503   4.407  -2.553
  653    HB   VAL 101           HB       VAL 101  10.741   7.120  -2.230
  654   1HG1  VAL 101          1HG1      VAL 101  11.060   5.673  -4.876
  655   2HG1  VAL 101          2HG1      VAL 101  12.200   5.549  -3.536
  656   3HG1  VAL 101          3HG1      VAL 101  11.927   7.101  -4.322
  657   1HG2  VAL 101          1HG2      VAL 101   8.966   6.784  -4.669
  658   2HG2  VAL 101          2HG2      VAL 101   9.576   8.268  -3.952
  659   3HG2  VAL 101          3HG2      VAL 101   8.354   7.332  -3.108
  660    H    GLU 102           H        GLU 102  10.977   4.201  -0.438
  661    HA   GLU 102           HA       GLU 102   9.205   4.196   1.631
  662   1HB   GLU 102          2HB       GLU 102  11.251   4.978   3.116
  663   2HB   GLU 102          1HB       GLU 102  11.337   3.454   2.223
  664   1HG   GLU 102          2HG       GLU 102  12.685   4.347   0.522
  665   2HG   GLU 102          1HG       GLU 102  12.316   6.022   0.974
  666    H    CYS 103           H        CYS 103   8.144   5.671   2.929
  667    HA   CYS 103           HA       CYS 103   8.216   8.483   2.065
  668   1HB   CYS 103          2HB       CYS 103   6.355   6.740   3.484
  669   2HB   CYS 103          1HB       CYS 103   6.585   8.241   4.386
  670    H    THR 104           H        THR 104   9.508   9.991   3.001
  671    HA   THR 104           HA       THR 104  10.752   9.320   5.646
  672    HB   THR 104           HB       THR 104  12.554  10.744   5.040
  673    HG1  THR 104           1HG      THR 104  10.905  11.699   2.896
  674   1HG2  THR 104          1HG2      THR 104  11.702   9.550   2.397
  675   2HG2  THR 104          2HG2      THR 104  12.339   8.573   3.725
  676   3HG2  THR 104          3HG2      THR 104  13.338   9.824   2.990
  Start of MODEL   16
    1   1H    ALA   1          1HT       ALA   1   0.274  11.791  15.537
    2   2H    ALA   1          2HT       ALA   1   0.424  11.256  17.152
    3   3H    ALA   1          3HT       ALA   1  -0.514  10.350  16.032
    4    HA   ALA   1           HA       ALA   1   2.416  10.814  15.881
    5   1HB   ALA   1          1HB       ALA   1   1.783   9.337  17.740
    6   2HB   ALA   1          2HB       ALA   1   2.572   8.420  16.459
    7   3HB   ALA   1          3HB       ALA   1   0.817   8.351  16.644
    8    H    CYS   2           H        CYS   2   3.339   9.178  14.272
    9    HA   CYS   2           HA       CYS   2   1.795   7.820  12.391
   10   1HB   CYS   2          2HB       CYS   2   2.136   9.637  10.444
   11   2HB   CYS   2          1HB       CYS   2   0.740   9.664  11.518
   12    H    ASP   3           H        ASP   3   3.409   6.380  12.006
   13    HA   ASP   3           HA       ASP   3   6.174   7.290  11.672
   14   1HB   ASP   3          2HB       ASP   3   5.443   5.058  12.719
   15   2HB   ASP   3          1HB       ASP   3   5.087   4.502  11.079
   16    H    TYR   4           H        TYR   4   3.416   6.893   9.657
   17    HA   TYR   4           HA       TYR   4   5.148   6.856   7.226
   18   1HB   TYR   4          2HB       TYR   4   2.263   6.006   7.674
   19   2HB   TYR   4          1HB       TYR   4   2.996   6.146   6.071
   20    HD1  TYR   4           1HD      TYR   4   1.933   3.667   7.861
   21    HD2  TYR   4           2HD      TYR   4   5.773   5.160   6.659
   22    HE1  TYR   4           1HE      TYR   4   2.884   1.394   8.085
   23    HE2  TYR   4           2HE      TYR   4   6.730   2.904   6.896
   24    HH   TYR   4           HH       TYR   4   5.787   0.635   8.509
   25    H    THR   5           H        THR   5   5.240   8.694   6.083
   26    HA   THR   5           HA       THR   5   2.908  10.504   6.057
   27    HB   THR   5           HB       THR   5   5.559  11.768   6.800
   28    HG1  THR   5           1HG      THR   5   5.428  10.382   8.471
   29   1HG2  THR   5          1HG2      THR   5   2.763  12.436   7.636
   30   2HG2  THR   5          2HG2      THR   5   3.414  13.009   6.114
   31   3HG2  THR   5          3HG2      THR   5   4.165  13.498   7.633
   32    H    CYS   6           H        CYS   6   2.702  10.703   3.879
   33    HA   CYS   6           HA       CYS   6   5.151  10.899   2.182
   34   1HB   CYS   6          2HB       CYS   6   2.251  10.807   1.315
   35   2HB   CYS   6          1HB       CYS   6   3.694  10.471   0.339
   36    H    GLY   7           H        GLY   7   3.811  13.004   3.995
   37   1HA   GLY   7          2HA       GLY   7   4.505  15.293   2.470
   38   2HA   GLY   7          1HA       GLY   7   2.749  15.094   2.444
   39    H    SER   8           H        SER   8   2.306  16.902   3.774
   40    HA   SER   8           HA       SER   8   3.597  17.064   6.438
   41   1HB   SER   8          2HB       SER   8   1.818  19.048   6.570
   42   2HB   SER   8          1HB       SER   8   3.282  19.206   5.598
   43    HG   SER   8           HG       SER   8   1.559  19.776   4.312
   44    H    ASN   9           H        ASN   9   1.480  14.945   5.411
   45    HA   ASN   9           HA       ASN   9  -0.752  15.369   7.230
   46   1HB   ASN   9          2HB       ASN   9   0.132  13.115   5.405
   47   2HB   ASN   9          1HB       ASN   9  -1.252  12.919   6.477
   48   1HD2  ASN   9          1HD2      ASN   9  -3.204  13.604   5.683
   49   2HD2  ASN   9          2HD2      ASN   9  -3.378  14.683   4.345
   50    H    CYS  10           H        CYS  10  -1.160  12.905   8.390
   51    HA   CYS  10           HA       CYS  10   1.284  12.151   9.825
   52   1HB   CYS  10          2HB       CYS  10   0.321  14.061  11.137
   53   2HB   CYS  10          1HB       CYS  10  -1.202  13.172  11.279
   54    H    TYR  11           H        TYR  11   0.669  10.259   8.444
   55    HA   TYR  11           HA       TYR  11  -1.783   8.821   9.158
   56   1HB   TYR  11          2HB       TYR  11   0.440   8.495   7.199
   57   2HB   TYR  11          1HB       TYR  11  -0.299   6.990   7.748
   58    HD1  TYR  11           1HD      TYR  11  -2.421   6.323   6.983
   59    HD2  TYR  11           2HD      TYR  11  -1.058  10.340   6.308
   60    HE1  TYR  11           1HE      TYR  11  -4.359   6.742   5.489
   61    HE2  TYR  11           2HE      TYR  11  -2.997  10.749   4.816
   62    HH   TYR  11           HH       TYR  11  -4.571   9.173   3.329
   63    H    SER  12           H        SER  12  -1.981   7.451  10.834
   64    HA   SER  12           HA       SER  12   0.378   6.756  12.439
   65   1HB   SER  12          2HB       SER  12  -2.180   5.488  13.165
   66   2HB   SER  12          1HB       SER  12  -1.090   6.484  14.122
   67    HG   SER  12           HG       SER  12  -3.157   7.465  13.668
   68    H    SER  13           H        SER  13   1.522   4.897  12.154
   69    HA   SER  13           HA       SER  13   1.100   3.032  10.138
   70   1HB   SER  13          2HB       SER  13   3.157   2.993  11.412
   71   2HB   SER  13          1HB       SER  13   2.281   2.582  12.891
   72    HG   SER  13           HG       SER  13   2.795   0.981  10.629
   73    H    SER  14           H        SER  14  -0.579   3.321  13.210
   74    HA   SER  14           HA       SER  14  -1.775   0.678  13.107
   75   1HB   SER  14          2HB       SER  14  -1.448   2.109  15.195
   76   2HB   SER  14          1HB       SER  14  -2.805   3.095  14.639
   77    HG   SER  14           HG       SER  14  -2.777   0.394  15.457
   78    H    ASP  15           H        ASP  15  -2.838   3.976  12.258
   79    HA   ASP  15           HA       ASP  15  -5.473   3.176  11.439
   80   1HB   ASP  15          2HB       ASP  15  -3.934   5.632  11.529
   81   2HB   ASP  15          1HB       ASP  15  -4.607   5.469   9.905
   82    H    VAL  16           H        VAL  16  -2.328   3.080   9.984
   83    HA   VAL  16           HA       VAL  16  -3.268   2.755   7.276
   84    HB   VAL  16           HB       VAL  16  -0.636   1.693   8.324
   85   1HG1  VAL  16          1HG1      VAL  16  -0.610   3.166   5.816
   86   2HG1  VAL  16          2HG1      VAL  16  -1.834   1.900   5.760
   87   3HG1  VAL  16          3HG1      VAL  16  -0.167   1.499   6.145
   88   1HG2  VAL  16          1HG2      VAL  16  -1.594   4.522   8.158
   89   2HG2  VAL  16          2HG2      VAL  16   0.019   4.192   7.550
   90   3HG2  VAL  16          3HG2      VAL  16  -0.394   3.776   9.173
   91    H    SER  17           H        SER  17  -2.597   0.643  10.008
   92    HA   SER  17           HA       SER  17  -2.629  -1.842   8.649
   93   1HB   SER  17          2HB       SER  17  -2.551  -2.751  10.747
   94   2HB   SER  17          1HB       SER  17  -2.302  -1.083  11.271
   95    HG   SER  17           HG       SER  17  -4.083  -2.297  12.301
   96    H    THR  18           H        THR  18  -5.273   0.112  10.025
   97    HA   THR  18           HA       THR  18  -7.363  -1.760   9.497
   98    HB   THR  18           HB       THR  18  -8.526   0.787   9.129
   99    HG1  THR  18           1HG      THR  18  -6.631   1.133  11.191
  100   1HG2  THR  18          1HG2      THR  18  -9.190   0.558  11.466
  101   2HG2  THR  18          2HG2      THR  18  -7.957  -0.675  11.719
  102   3HG2  THR  18          3HG2      THR  18  -9.314  -0.994  10.636
  103    H    ALA  19           H        ALA  19  -6.058   0.914   7.531
  104    HA   ALA  19           HA       ALA  19  -7.751   0.256   5.245
  105   1HB   ALA  19          1HB       ALA  19  -5.232   1.754   4.844
  106   2HB   ALA  19          2HB       ALA  19  -6.415   2.484   5.952
  107   3HB   ALA  19          3HB       ALA  19  -6.860   2.128   4.283
  108    H    GLN  20           H        GLN  20  -4.934  -1.114   6.590
  109    HA   GLN  20           HA       GLN  20  -3.830  -2.037   4.081
  110   1HB   GLN  20          2HB       GLN  20  -2.651  -1.635   6.470
  111   2HB   GLN  20          1HB       GLN  20  -3.081  -3.294   6.701
  112   1HG   GLN  20          2HG       GLN  20  -1.070  -2.083   4.952
  113   2HG   GLN  20          1HG       GLN  20  -1.059  -3.678   5.706
  114   1HE2  GLN  20          1HE2      GLN  20  -2.335  -5.372   4.600
  115   2HE2  GLN  20          2HE2      GLN  20  -2.828  -5.183   2.965
  116    H    ALA  21           H        ALA  21  -6.002  -3.140   6.603
  117    HA   ALA  21           HA       ALA  21  -6.103  -5.899   5.643
  118   1HB   ALA  21          1HB       ALA  21  -7.918  -4.381   7.537
  119   2HB   ALA  21          2HB       ALA  21  -6.547  -5.389   7.998
  120   3HB   ALA  21          3HB       ALA  21  -7.965  -6.123   7.250
  121    H    ALA  22           H        ALA  22  -7.508  -2.863   4.804
  122    HA   ALA  22           HA       ALA  22  -9.997  -3.833   3.711
  123   1HB   ALA  22          1HB       ALA  22 -10.048  -1.642   2.555
  124   2HB   ALA  22          2HB       ALA  22  -8.377  -1.349   3.047
  125   3HB   ALA  22          3HB       ALA  22  -9.648  -1.461   4.263
  126    H    GLY  23           H        GLY  23  -6.790  -3.049   2.312
  127   1HA   GLY  23          2HA       GLY  23  -7.501  -3.977  -0.354
  128   2HA   GLY  23          1HA       GLY  23  -5.878  -3.651   0.242
  129    H    TYR  24           H        TYR  24  -6.112  -5.408   2.559
  130    HA   TYR  24           HA       TYR  24  -5.177  -7.828   1.316
  131   1HB   TYR  24          2HB       TYR  24  -4.329  -7.267   3.507
  132   2HB   TYR  24          1HB       TYR  24  -5.968  -7.161   4.161
  133    HD1  TYR  24           1HD      TYR  24  -6.192  -8.869   5.743
  134    HD2  TYR  24           2HD      TYR  24  -4.372  -9.720   1.944
  135    HE1  TYR  24           1HE      TYR  24  -6.124 -11.281   6.315
  136    HE2  TYR  24           2HE      TYR  24  -4.309 -12.128   2.510
  137    HH   TYR  24           HH       TYR  24  -5.941 -13.646   4.391
  138    H    GLN  25           H        GLN  25  -8.293  -6.768   2.598
  139    HA   GLN  25           HA       GLN  25  -9.492  -9.409   2.538
  140   1HB   GLN  25          2HB       GLN  25 -10.244  -7.184   3.772
  141   2HB   GLN  25          1HB       GLN  25 -11.124  -6.869   2.273
  142   1HG   GLN  25          2HG       GLN  25 -12.478  -8.751   2.513
  143   2HG   GLN  25          1HG       GLN  25 -11.363  -9.553   3.634
  144   1HE2  GLN  25          1HE2      GLN  25 -12.520  -9.698   5.549
  145   2HE2  GLN  25          2HE2      GLN  25 -13.300  -8.354   6.302
  146    H    LEU  26           H        LEU  26  -9.595  -6.553   0.387
  147    HA   LEU  26           HA       LEU  26 -11.202  -7.823  -1.624
  148   1HB   LEU  26          2HB       LEU  26 -10.298  -5.260  -1.225
  149   2HB   LEU  26          1HB       LEU  26  -9.173  -5.787  -2.467
  150    HG   LEU  26           HG       LEU  26 -11.171  -6.533  -3.853
  151   1HD1  LEU  26          1HD1      LEU  26 -12.638  -5.033  -1.656
  152   2HD1  LEU  26          2HD1      LEU  26 -12.815  -6.740  -2.053
  153   3HD1  LEU  26          3HD1      LEU  26 -13.351  -5.518  -3.193
  154   1HD2  LEU  26          1HD2      LEU  26 -10.364  -4.543  -4.653
  155   2HD2  LEU  26          2HD2      LEU  26 -10.502  -3.716  -3.109
  156   3HD2  LEU  26          3HD2      LEU  26 -11.928  -3.987  -4.087
  157    H    HIS  27           H        HIS  27  -7.873  -8.072  -0.739
  158    HA   HIS  27           HA       HIS  27  -7.021  -9.180  -3.317
  159   1HB   HIS  27          2HB       HIS  27  -5.366  -7.929  -2.090
  160   2HB   HIS  27          1HB       HIS  27  -5.663  -8.868  -0.620
  161    HD1  HIS  27           1HD      HIS  27  -5.057 -10.098  -4.180
  162    HD2  HIS  27           2HD      HIS  27  -3.399 -10.407  -0.365
  163    HE1  HIS  27           1HE      HIS  27  -3.153 -11.749  -4.360
  164    HE2  HIS  27           2HE      HIS  27  -2.431 -12.194  -1.982
  165    H    GLU  28           H        GLU  28  -8.260 -10.335  -0.251
  166    HA   GLU  28           HA       GLU  28  -7.396 -13.106  -0.768
  167   1HB   GLU  28          2HB       GLU  28  -7.404 -12.331   1.537
  168   2HB   GLU  28          1HB       GLU  28  -9.107 -11.869   1.415
  169   1HG   GLU  28          2HG       GLU  28  -9.800 -14.161   1.155
  170   2HG   GLU  28          1HG       GLU  28  -8.118 -14.709   1.026
  171    H    ASP  29           H        ASP  29  -9.994 -11.068  -1.658
  172    HA   ASP  29           HA       ASP  29 -11.773 -13.423  -2.084
  173   1HB   ASP  29          2HB       ASP  29 -12.405 -11.073  -0.874
  174   2HB   ASP  29          1HB       ASP  29 -12.777 -10.634  -2.544
  175    H    GLY  30           H        GLY  30  -9.644 -11.315  -3.711
  176   1HA   GLY  30          2HA       GLY  30  -9.105 -11.230  -5.975
  177   2HA   GLY  30          1HA       GLY  30 -10.292 -12.500  -6.272
  178    H    GLU  31           H        GLU  31 -11.509  -9.784  -4.528
  179    HA   GLU  31           HA       GLU  31 -13.220  -9.105  -6.797
  180   1HB   GLU  31          2HB       GLU  31 -13.663  -9.096  -4.133
  181   2HB   GLU  31          1HB       GLU  31 -13.176  -7.425  -4.316
  182   1HG   GLU  31          2HG       GLU  31 -15.213  -6.915  -5.037
  183   2HG   GLU  31          1HG       GLU  31 -14.937  -7.894  -6.482
  184    H    THR  32           H        THR  32 -13.432  -6.253  -6.227
  185    HA   THR  32           HA       THR  32 -10.785  -5.100  -6.570
  186    HB   THR  32           HB       THR  32 -11.932  -4.034  -8.840
  187    HG1  THR  32           1HG      THR  32 -13.087  -5.579  -9.865
  188   1HG2  THR  32          1HG2      THR  32 -10.261  -5.134  -9.975
  189   2HG2  THR  32          2HG2      THR  32 -10.496  -6.638  -9.098
  190   3HG2  THR  32          3HG2      THR  32  -9.669  -5.297  -8.325
  191    H    VAL  33           H        VAL  33 -11.020  -2.670  -6.901
  192    HA   VAL  33           HA       VAL  33 -13.460  -1.740  -5.406
  193    HB   VAL  33           HB       VAL  33 -11.669   0.330  -5.166
  194   1HG1  VAL  33          1HG1      VAL  33 -11.295  -0.549  -2.908
  195   2HG1  VAL  33          2HG1      VAL  33 -11.876  -2.096  -3.382
  196   3HG1  VAL  33          3HG1      VAL  33 -12.965  -0.752  -3.363
  197   1HG2  VAL  33          1HG2      VAL  33  -9.919  -1.052  -6.317
  198   2HG2  VAL  33          2HG2      VAL  33 -10.009  -2.207  -4.996
  199   3HG2  VAL  33          3HG2      VAL  33  -9.485  -0.558  -4.693
  200    H    GLY  34           H        GLY  34 -11.045  -0.117  -7.521
  201   1HA   GLY  34          2HA       GLY  34 -13.210   1.464  -8.724
  202   2HA   GLY  34          1HA       GLY  34 -11.481   1.631  -9.025
  203    H    SER  35           H        SER  35 -12.609  -1.629  -9.206
  204    HA   SER  35           HA       SER  35 -12.928  -3.052 -10.981
  205   1HB   SER  35          2HB       SER  35 -14.108  -0.499 -11.898
  206   2HB   SER  35          1HB       SER  35 -13.523  -1.495 -13.219
  207    HG   SER  35           HG       SER  35 -15.652  -2.008 -12.650
  208    H    ASN  36           H        ASN  36 -10.358  -1.416 -10.442
  209    HA   ASN  36           HA       ASN  36  -9.074  -1.944 -13.092
  210   1HB   ASN  36          2HB       ASN  36  -8.887   0.349 -11.166
  211   2HB   ASN  36          1HB       ASN  36  -7.369  -0.183 -11.899
  212   1HD2  ASN  36          1HD2      ASN  36  -8.431   2.344 -12.510
  213   2HD2  ASN  36          2HD2      ASN  36  -8.940   2.319 -14.160
  214    H    SER  37           H        SER  37  -9.440  -3.247 -10.130
  215    HA   SER  37           HA       SER  37  -8.161  -4.817  -8.982
  216   1HB   SER  37          2HB       SER  37  -7.365  -5.167 -11.548
  217   2HB   SER  37          1HB       SER  37  -5.835  -4.665 -10.833
  218    HG   SER  37           HG       SER  37  -6.068  -6.890 -10.638
  219    H    TYR  38           H        TYR  38  -8.055  -2.857  -7.510
  220    HA   TYR  38           HA       TYR  38  -5.636  -1.304  -7.590
  221   1HB   TYR  38          2HB       TYR  38  -8.014  -1.059  -6.264
  222   2HB   TYR  38          1HB       TYR  38  -6.943  -1.445  -4.921
  223    HD1  TYR  38           1HD      TYR  38  -8.403   1.255  -5.936
  224    HD2  TYR  38           2HD      TYR  38  -4.397  -0.285  -6.024
  225    HE1  TYR  38           1HE      TYR  38  -7.503   3.564  -6.033
  226    HE2  TYR  38           2HE      TYR  38  -3.530   1.978  -6.118
  227    HH   TYR  38           HH       TYR  38  -4.765   4.527  -5.247
  228    HA   PRO  39           HA       PRO  39  -4.132  -4.173  -4.141
  229   1HB   PRO  39          2HB       PRO  39  -5.407  -6.555  -3.803
  230   2HB   PRO  39          1HB       PRO  39  -5.803  -5.079  -2.926
  231   1HG   PRO  39          2HG       PRO  39  -7.302  -6.388  -5.158
  232   2HG   PRO  39          1HG       PRO  39  -7.906  -5.348  -3.865
  233   1HD   PRO  39          2HD       PRO  39  -7.404  -4.596  -6.525
  234   2HD   PRO  39          1HD       PRO  39  -7.752  -3.487  -5.188
  235    H    HIS  40           H        HIS  40  -2.407  -4.585  -5.318
  236    HA   HIS  40           HA       HIS  40  -2.356  -6.976  -7.121
  237   1HB   HIS  40          2HB       HIS  40  -0.369  -5.400  -8.216
  238   2HB   HIS  40          1HB       HIS  40  -2.035  -5.430  -8.801
  239    HD1  HIS  40           1HD      HIS  40  -0.759  -3.818  -5.645
  240    HD2  HIS  40           2HD      HIS  40  -2.454  -2.709  -9.280
  241    HE1  HIS  40           1HE      HIS  40  -1.522  -1.436  -5.370
  242    HE2  HIS  40           2HE      HIS  40  -2.150  -0.660  -7.693
  243    H    LYS  41           H        LYS  41   0.285  -7.322  -7.528
  244    HA   LYS  41           HA       LYS  41   1.321  -7.535  -4.741
  245   1HB   LYS  41          2HB       LYS  41   2.602  -9.421  -5.450
  246   2HB   LYS  41          1HB       LYS  41   0.962  -9.638  -6.064
  247   1HG   LYS  41          2HG       LYS  41   1.904  -9.966  -8.061
  248   2HG   LYS  41          1HG       LYS  41   2.108  -8.228  -8.144
  249   1HD   LYS  41          2HD       LYS  41   4.256  -9.094  -8.582
  250   2HD   LYS  41          1HD       LYS  41   4.350  -8.616  -6.888
  251   1HE   LYS  41          2HE       LYS  41   5.038 -10.704  -6.470
  252   2HE   LYS  41          1HE       LYS  41   3.375 -11.228  -6.749
  253   1HZ   LYS  41          1HZ       LYS  41   5.519 -11.048  -8.810
  254   2HZ   LYS  41          2HZ       LYS  41   3.918 -11.516  -9.105
  255   3HZ   LYS  41          3HZ       LYS  41   4.909 -12.468  -8.122
  256    H    TYR  42           H        TYR  42   3.378  -6.792  -4.233
  257    HA   TYR  42           HA       TYR  42   4.659  -5.066  -6.283
  258   1HB   TYR  42          2HB       TYR  42   3.942  -4.156  -3.968
  259   2HB   TYR  42          1HB       TYR  42   5.253  -5.061  -3.316
  260    HD1  TYR  42           1HD      TYR  42   4.868  -3.021  -6.418
  261    HD2  TYR  42           2HD      TYR  42   7.019  -3.711  -2.764
  262    HE1  TYR  42           1HE      TYR  42   6.465  -1.248  -7.013
  263    HE2  TYR  42           2HE      TYR  42   8.598  -1.905  -3.355
  264    HH   TYR  42           HH       TYR  42   9.194  -0.774  -6.137
  265    H    ASN  43           H        ASN  43   7.068  -5.064  -6.308
  266    HA   ASN  43           HA       ASN  43   8.178  -7.716  -5.454
  267   1HB   ASN  43          2HB       ASN  43   7.966  -6.582  -8.105
  268   2HB   ASN  43          1HB       ASN  43   9.663  -6.683  -7.667
  269   1HD2  ASN  43          1HD2      ASN  43  10.515  -8.829  -7.065
  270   2HD2  ASN  43          2HD2      ASN  43   9.677 -10.240  -7.604
  271    H    ASN  44           H        ASN  44   8.495  -4.292  -5.374
  272    HA   ASN  44           HA       ASN  44  10.050  -2.942  -4.332
  273   1HB   ASN  44          2HB       ASN  44   9.800  -4.508  -2.443
  274   2HB   ASN  44          1HB       ASN  44  11.019  -5.566  -3.146
  275   1HD2  ASN  44          1HD2      ASN  44  13.215  -4.420  -3.596
  276   2HD2  ASN  44          2HD2      ASN  44  13.699  -3.275  -2.410
  277    H    TYR  45           H        TYR  45  11.814  -2.017  -5.200
  278    HA   TYR  45           HA       TYR  45  14.106  -3.594  -6.098
  279   1HB   TYR  45          2HB       TYR  45  12.046  -2.577  -8.034
  280   2HB   TYR  45          1HB       TYR  45  13.738  -2.347  -8.497
  281    HD1  TYR  45           1HD      TYR  45  15.290  -4.291  -8.622
  282    HD2  TYR  45           2HD      TYR  45  11.059  -4.754  -8.049
  283    HE1  TYR  45           1HE      TYR  45  15.461  -6.668  -9.303
  284    HE2  TYR  45           2HE      TYR  45  11.234  -7.137  -8.735
  285    HH   TYR  45           HH       TYR  45  13.668  -8.918  -8.673
  286    H    GLU  46           H        GLU  46  12.412  -0.481  -6.111
  287    HA   GLU  46           HA       GLU  46  14.270   1.348  -6.779
  288   1HB   GLU  46          2HB       GLU  46  11.941   1.352  -5.264
  289   2HB   GLU  46          1HB       GLU  46  13.116   1.941  -4.101
  290   1HG   GLU  46          2HG       GLU  46  13.119   3.078  -6.877
  291   2HG   GLU  46          1HG       GLU  46  11.908   3.586  -5.704
  292    H    GLY  47           H        GLY  47  14.059   0.331  -3.345
  293   1HA   GLY  47          2HA       GLY  47  16.511  -0.599  -2.741
  294   2HA   GLY  47          1HA       GLY  47  16.888   1.114  -2.950
  295    H    PHE  48           H        PHE  48  14.342  -0.843  -1.340
  296    HA   PHE  48           HA       PHE  48  14.214   1.187   0.829
  297   1HB   PHE  48          2HB       PHE  48  12.668  -1.423   0.540
  298   2HB   PHE  48          1HB       PHE  48  12.274  -0.046   1.585
  299    HD1  PHE  48           1HD      PHE  48  13.101   2.101  -0.532
  300    HD2  PHE  48           2HD      PHE  48  10.548  -1.345  -0.671
  301    HE1  PHE  48           1HE      PHE  48  11.817   3.124  -2.352
  302    HE2  PHE  48           2HE      PHE  48   9.238  -0.299  -2.483
  303    HZ   PHE  48           HZ       PHE  48   9.872   1.928  -3.326
  304    H    ASP  49           H        ASP  49  13.859  -0.170   3.112
  305    HA   ASP  49           HA       ASP  49  16.337  -1.846   3.290
  306   1HB   ASP  49          2HB       ASP  49  16.183   0.499   4.478
  307   2HB   ASP  49          1HB       ASP  49  15.196  -0.362   5.665
  308    H    PHE  50           H        PHE  50  12.946  -1.700   3.908
  309    HA   PHE  50           HA       PHE  50  12.974  -3.886   5.844
  310   1HB   PHE  50          2HB       PHE  50  10.509  -3.804   5.588
  311   2HB   PHE  50          1HB       PHE  50  11.183  -2.196   5.880
  312    HD1  PHE  50           1HD      PHE  50  10.251  -4.495   3.052
  313    HD2  PHE  50           2HD      PHE  50  10.622  -0.446   4.444
  314    HE1  PHE  50           1HE      PHE  50   9.287  -3.696   0.940
  315    HE2  PHE  50           2HE      PHE  50   9.617   0.357   2.321
  316    HZ   PHE  50           HZ       PHE  50   8.931  -1.270   0.583
  317    H    SER  51           H        SER  51  11.312  -5.770   5.161
  318    HA   SER  51           HA       SER  51  11.271  -6.590   2.436
  319   1HB   SER  51          2HB       SER  51  13.026  -8.614   3.190
  320   2HB   SER  51          1HB       SER  51  13.419  -7.215   2.199
  321    HG   SER  51           HG       SER  51  13.840  -7.583   4.956
  322    H    VAL  52           H        VAL  52   9.244  -6.676   4.133
  323    HA   VAL  52           HA       VAL  52   8.875  -8.718   5.973
  324    HB   VAL  52           HB       VAL  52   6.834  -7.983   3.844
  325   1HG1  VAL  52          1HG1      VAL  52   6.413  -8.978   6.663
  326   2HG1  VAL  52          2HG1      VAL  52   6.368 -10.029   5.251
  327   3HG1  VAL  52          3HG1      VAL  52   5.206  -8.736   5.398
  328   1HG2  VAL  52          1HG2      VAL  52   6.045  -6.311   5.433
  329   2HG2  VAL  52          2HG2      VAL  52   7.712  -5.979   5.017
  330   3HG2  VAL  52          3HG2      VAL  52   7.330  -6.731   6.556
  331    H    SER  53           H        SER  53   8.013  -9.082   2.494
  332    HA   SER  53           HA       SER  53   9.240 -11.755   2.452
  333   1HB   SER  53          2HB       SER  53   6.616 -11.637   3.254
  334   2HB   SER  53          1HB       SER  53   6.416 -11.833   1.518
  335    HG   SER  53           HG       SER  53   6.612 -13.863   2.428
  336    H    SER  54           H        SER  54   8.566 -12.774   0.163
  337    HA   SER  54           HA       SER  54   9.465 -10.825  -1.822
  338   1HB   SER  54          2HB       SER  54   8.431 -13.429  -2.822
  339   2HB   SER  54          1HB       SER  54   9.970 -12.627  -3.073
  340    HG   SER  54           HG       SER  54  10.288 -14.463  -1.823
  341    HA   PRO  55           HA       PRO  55   5.096 -11.599  -3.635
  342   1HB   PRO  55          2HB       PRO  55   3.293 -12.940  -2.063
  343   2HB   PRO  55          1HB       PRO  55   4.381 -13.722  -3.205
  344   1HG   PRO  55          2HG       PRO  55   4.552 -13.629  -0.220
  345   2HG   PRO  55          1HG       PRO  55   5.146 -14.869  -1.338
  346   1HD   PRO  55          2HD       PRO  55   6.663 -12.883  -0.097
  347   2HD   PRO  55          1HD       PRO  55   7.199 -13.907  -1.411
  348    H    TYR  56           H        TYR  56   5.323  -9.336  -3.054
  349    HA   TYR  56           HA       TYR  56   4.055  -8.375  -0.601
  350   1HB   TYR  56          2HB       TYR  56   5.387  -7.117  -2.971
  351   2HB   TYR  56          1HB       TYR  56   4.459  -6.100  -1.901
  352    HD1  TYR  56           1HD      TYR  56   7.661  -6.812  -2.546
  353    HD2  TYR  56           2HD      TYR  56   4.887  -7.086   0.720
  354    HE1  TYR  56           1HE      TYR  56   9.543  -6.708  -0.932
  355    HE2  TYR  56           2HE      TYR  56   6.754  -6.980   2.316
  356    HH   TYR  56           HH       TYR  56   9.772  -7.626   1.658
  357    H    TYR  57           H        TYR  57   2.535  -6.352  -1.020
  358    HA   TYR  57           HA       TYR  57   0.672  -6.712  -3.211
  359   1HB   TYR  57          2HB       TYR  57  -0.085  -7.332  -0.374
  360   2HB   TYR  57          1HB       TYR  57  -1.294  -7.032  -1.643
  361    HD1  TYR  57           1HD      TYR  57   0.580  -9.521  -0.017
  362    HD2  TYR  57           2HD      TYR  57  -0.937  -8.405  -3.858
  363    HE1  TYR  57           1HE      TYR  57   0.757 -11.885  -0.765
  364    HE2  TYR  57           2HE      TYR  57  -0.747 -10.748  -4.628
  365    HH   TYR  57           HH       TYR  57  -0.723 -13.224  -3.052
  366    H    GLU  58           H        GLU  58   0.285  -4.645  -3.835
  367    HA   GLU  58           HA       GLU  58   0.548  -2.501  -1.784
  368   1HB   GLU  58          2HB       GLU  58   0.101  -1.889  -4.655
  369   2HB   GLU  58          1HB       GLU  58   1.065  -1.057  -3.485
  370   1HG   GLU  58          2HG       GLU  58   2.862  -2.101  -4.286
  371   2HG   GLU  58          1HG       GLU  58   2.232  -3.622  -3.714
  372    H    TRP  59           H        TRP  59  -1.083  -0.991  -1.395
  373    HA   TRP  59           HA       TRP  59  -3.625  -1.110  -2.821
  374   1HB   TRP  59          2HB       TRP  59  -4.230  -2.912  -1.459
  375   2HB   TRP  59          1HB       TRP  59  -3.242  -2.359  -0.105
  376    HD1  TRP  59           HD       TRP  59  -4.260  -0.622   1.545
  377    HE1  TRP  59           1HE      TRP  59  -6.668   0.169   1.979
  378    HE3  TRP  59           3HE      TRP  59  -6.541  -2.441  -2.657
  379    HZ2  TRP  59           2HZ      TRP  59  -9.248  -0.007   0.683
  380    HZ3  TRP  59           3HZ      TRP  59  -8.963  -2.093  -3.013
  381    HH2  TRP  59           HH       TRP  59 -10.301  -0.893  -1.351
  382    HA   PRO  60           HA       PRO  60  -3.423   3.114  -1.492
  383   1HB   PRO  60          2HB       PRO  60  -6.082   3.780  -1.734
  384   2HB   PRO  60          1HB       PRO  60  -4.955   3.645  -3.078
  385   1HG   PRO  60          2HG       PRO  60  -7.000   1.665  -2.159
  386   2HG   PRO  60          1HG       PRO  60  -6.524   2.048  -3.776
  387   1HD   PRO  60          2HD       PRO  60  -5.662  -0.165  -2.481
  388   2HD   PRO  60          1HD       PRO  60  -4.717   0.584  -3.696
  389    H    ILE  61           H        ILE  61  -3.392   4.080   0.452
  390    HA   ILE  61           HA       ILE  61  -5.214   3.049   2.609
  391    HB   ILE  61           HB       ILE  61  -3.125   2.384   3.378
  392   1HG1  ILE  61          2HG1      ILE  61  -2.422   3.919   5.107
  393   2HG1  ILE  61          1HG1      ILE  61  -3.096   5.296   4.288
  394   1HG2  ILE  61          1HG2      ILE  61  -1.811   3.200   1.518
  395   2HG2  ILE  61          2HG2      ILE  61  -1.046   3.734   2.999
  396   3HG2  ILE  61          3HG2      ILE  61  -2.002   4.866   2.044
  397   1HD1  ILE  61          1HD1      ILE  61  -4.799   4.895   5.733
  398   2HD1  ILE  61          2HD1      ILE  61  -4.399   3.220   5.890
  399   3HD1  ILE  61          3HD1      ILE  61  -5.331   3.768   4.527
  400    H    LEU  62           H        LEU  62  -6.717   4.631   3.053
  401    HA   LEU  62           HA       LEU  62  -5.797   7.477   2.901
  402   1HB   LEU  62          2HB       LEU  62  -8.712   6.918   2.759
  403   2HB   LEU  62          1HB       LEU  62  -7.724   8.104   1.892
  404    HG   LEU  62           HG       LEU  62  -7.988   5.161   1.286
  405   1HD1  LEU  62          1HD1      LEU  62  -8.751   7.725  -0.107
  406   2HD1  LEU  62          2HD1      LEU  62  -9.742   6.334   0.249
  407   3HD1  LEU  62          3HD1      LEU  62  -8.546   6.226  -1.004
  408   1HD2  LEU  62          1HD2      LEU  62  -5.717   6.920   0.815
  409   2HD2  LEU  62          2HD2      LEU  62  -6.440   6.420  -0.684
  410   3HD2  LEU  62          3HD2      LEU  62  -5.920   5.209   0.438
  411    H    SER  63           H        SER  63  -6.965   8.928   4.460
  412    HA   SER  63           HA       SER  63  -7.880   7.443   6.904
  413   1HB   SER  63          2HB       SER  63  -5.642   8.099   7.433
  414   2HB   SER  63          1HB       SER  63  -5.864   9.700   6.714
  415    HG   SER  63           HG       SER  63  -6.947  10.341   8.456
  416    H    SER  64           H        SER  64  -9.490   8.697   4.824
  417    HA   SER  64           HA       SER  64 -10.615  10.996   6.392
  418   1HB   SER  64          2HB       SER  64  -9.723  10.976   3.738
  419   2HB   SER  64          1HB       SER  64 -11.476  10.830   3.592
  420    HG   SER  64           HG       SER  64  -9.949  12.874   4.788
  421    H    GLY  65           H        GLY  65 -11.103   7.807   5.951
  422   1HA   GLY  65          2HA       GLY  65 -13.112   6.766   6.774
  423   2HA   GLY  65          1HA       GLY  65 -14.070   8.113   6.170
  424    H    ASP  66           H        ASP  66 -12.621   8.162   3.563
  425    HA   ASP  66           HA       ASP  66 -14.027   5.845   2.336
  426   1HB   ASP  66          2HB       ASP  66 -13.148   8.576   1.397
  427   2HB   ASP  66          1HB       ASP  66 -13.365   7.289   0.203
  428    H    VAL  67           H        VAL  67 -12.490   4.217   2.714
  429    HA   VAL  67           HA       VAL  67  -9.683   4.510   2.196
  430    HB   VAL  67           HB       VAL  67 -11.355   1.973   2.097
  431   1HG1  VAL  67          1HG1      VAL  67  -9.231   0.871   2.642
  432   2HG1  VAL  67          2HG1      VAL  67  -8.398   2.423   2.632
  433   3HG1  VAL  67          3HG1      VAL  67  -9.048   1.769   1.155
  434   1HG2  VAL  67          1HG2      VAL  67  -9.958   3.384   4.395
  435   2HG2  VAL  67          2HG2      VAL  67 -10.622   1.753   4.478
  436   3HG2  VAL  67          3HG2      VAL  67 -11.692   3.120   4.220
  437    H    TYR  68           H        TYR  68  -8.466   3.584   0.354
  438    HA   TYR  68           HA       TYR  68  -8.088   3.694  -1.943
  439   1HB   TYR  68          2HB       TYR  68  -9.115   1.824  -3.110
  440   2HB   TYR  68          1HB       TYR  68  -8.823   1.372  -1.452
  441    HD1  TYR  68           1HD      TYR  68 -11.413   2.184  -3.907
  442    HD2  TYR  68           2HD      TYR  68 -10.661   1.139   0.168
  443    HE1  TYR  68           1HE      TYR  68 -13.812   1.738  -3.576
  444    HE2  TYR  68           2HE      TYR  68 -13.043   0.665   0.515
  445    HH   TYR  68           HH       TYR  68 -15.374   1.706  -1.035
  446    H    SER  69           H        SER  69  -9.839   3.380  -4.139
  447    HA   SER  69           HA       SER  69 -11.154   4.701  -5.505
  448   1HB   SER  69          2HB       SER  69 -12.997   3.891  -4.174
  449   2HB   SER  69          1HB       SER  69 -12.647   5.023  -2.870
  450    HG   SER  69           HG       SER  69 -14.359   5.696  -4.289
  451    H    GLY  70           H        GLY  70 -12.063   7.083  -5.688
  452   1HA   GLY  70          2HA       GLY  70 -11.790   9.364  -4.664
  453   2HA   GLY  70          1HA       GLY  70 -10.126   8.925  -4.290
  454    H    GLY  71           H        GLY  71  -9.507  10.817  -5.589
  455   1HA   GLY  71          2HA       GLY  71  -9.778  10.357  -8.557
  456   2HA   GLY  71          1HA       GLY  71  -9.551  11.926  -7.793
  457    H    SER  72           H        SER  72  -7.823   8.912  -7.023
  458    HA   SER  72           HA       SER  72  -5.424   9.798  -8.447
  459   1HB   SER  72          2HB       SER  72  -5.638  11.088  -6.163
  460   2HB   SER  72          1HB       SER  72  -5.026   9.588  -5.470
  461    HG   SER  72           HG       SER  72  -3.177   9.804  -6.638
  462    HA   PRO  73           HA       PRO  73  -5.734   5.263  -7.748
  463   1HB   PRO  73          2HB       PRO  73  -5.308   4.596 -10.367
  464   2HB   PRO  73          1HB       PRO  73  -6.880   4.982  -9.686
  465   1HG   PRO  73          2HG       PRO  73  -5.154   6.658 -11.456
  466   2HG   PRO  73          1HG       PRO  73  -6.918   6.664 -11.278
  467   1HD   PRO  73          2HD       PRO  73  -5.093   8.515 -10.122
  468   2HD   PRO  73          1HD       PRO  73  -6.822   8.357  -9.744
  469    H    GLY  74           H        GLY  74  -3.390   6.823  -7.109
  470   1HA   GLY  74          2HA       GLY  74  -1.296   4.902  -7.624
  471   2HA   GLY  74          1HA       GLY  74  -1.097   6.321  -8.596
  472    H    ALA  75           H        ALA  75   0.930   6.427  -7.168
  473    HA   ALA  75           HA       ALA  75   2.058   7.749  -5.593
  474   1HB   ALA  75          1HB       ALA  75  -0.566   8.811  -4.601
  475   2HB   ALA  75          2HB       ALA  75   0.087   9.308  -6.157
  476   3HB   ALA  75          3HB       ALA  75   1.009   9.595  -4.689
  477    H    ASP  76           H        ASP  76   0.649   8.387  -2.944
  478    HA   ASP  76           HA       ASP  76   1.659   6.601  -1.232
  479   1HB   ASP  76          2HB       ASP  76  -1.105   7.848  -1.151
  480   2HB   ASP  76          1HB       ASP  76  -0.442   6.948   0.223
  481    H    ARG  77           H        ARG  77   1.492   4.467  -0.731
  482    HA   ARG  77           HA       ARG  77  -0.964   2.970  -1.051
  483   1HB   ARG  77          2HB       ARG  77   0.252   3.241  -3.402
  484   2HB   ARG  77          1HB       ARG  77   1.207   1.881  -2.842
  485   1HG   ARG  77          2HG       ARG  77  -0.741   0.549  -2.502
  486   2HG   ARG  77          1HG       ARG  77  -1.814   1.904  -2.838
  487   1HD   ARG  77          2HD       ARG  77  -0.109   0.330  -4.732
  488   2HD   ARG  77          1HD       ARG  77  -1.817   0.760  -4.869
  489    HE   ARG  77           HE       ARG  77   0.225   2.858  -4.875
  490   1HH1  ARG  77          1HH1      ARG  77  -1.011   1.660  -7.656
  491   2HH1  ARG  77          2HH1      ARG  77  -2.195   2.897  -7.918
  492   1HH2  ARG  77          1HH2      ARG  77  -1.817   4.298  -4.761
  493   2HH2  ARG  77          2HH2      ARG  77  -2.758   4.291  -6.205
  494    H    VAL  78           H        VAL  78  -0.745   1.863   0.841
  495    HA   VAL  78           HA       VAL  78   1.826   1.151   1.970
  496    HB   VAL  78           HB       VAL  78  -0.022   1.561   3.480
  497   1HG1  VAL  78          1HG1      VAL  78  -1.371  -0.720   1.989
  498   2HG1  VAL  78          2HG1      VAL  78  -1.906   0.952   2.091
  499   3HG1  VAL  78          3HG1      VAL  78  -1.949  -0.065   3.515
  500   1HG2  VAL  78          1HG2      VAL  78   0.446  -1.437   3.588
  501   2HG2  VAL  78          2HG2      VAL  78   0.221  -0.279   4.887
  502   3HG2  VAL  78          3HG2      VAL  78   1.693  -0.254   3.967
  503    H    VAL  79           H        VAL  79   2.426  -1.170   2.490
  504    HA   VAL  79           HA       VAL  79   1.434  -3.056   0.420
  505    HB   VAL  79           HB       VAL  79   4.284  -2.929   1.320
  506   1HG1  VAL  79          1HG1      VAL  79   2.788  -4.265  -0.915
  507   2HG1  VAL  79          2HG1      VAL  79   3.849  -5.014   0.270
  508   3HG1  VAL  79          3HG1      VAL  79   4.516  -4.033  -1.009
  509   1HG2  VAL  79          1HG2      VAL  79   4.706  -1.791  -0.893
  510   2HG2  VAL  79          2HG2      VAL  79   3.948  -0.799   0.346
  511   3HG2  VAL  79          3HG2      VAL  79   2.966  -1.488  -0.943
  512    H    PHE  80           H        PHE  80   2.131  -5.337   0.977
  513    HA   PHE  80           HA       PHE  80   2.665  -6.012   3.715
  514   1HB   PHE  80          2HB       PHE  80   0.321  -6.891   4.141
  515   2HB   PHE  80          1HB       PHE  80   0.409  -5.139   4.054
  516    HD1  PHE  80           1HD      PHE  80  -0.923  -8.139   2.544
  517    HD2  PHE  80           2HD      PHE  80  -0.246  -3.948   1.921
  518    HE1  PHE  80           1HE      PHE  80  -2.569  -8.140   0.691
  519    HE2  PHE  80           2HE      PHE  80  -1.882  -3.946   0.081
  520    HZ   PHE  80           HZ       PHE  80  -3.054  -6.041  -0.542
  521    H    ASN  81           H        ASN  81   1.613  -8.523   3.888
  522    HA   ASN  81           HA       ASN  81   2.358  -9.822   1.285
  523   1HB   ASN  81          2HB       ASN  81   4.209 -10.278   2.653
  524   2HB   ASN  81          1HB       ASN  81   3.231 -10.419   4.115
  525   1HD2  ASN  81          1HD2      ASN  81   3.225 -12.540   4.782
  526   2HD2  ASN  81          2HD2      ASN  81   3.116 -13.900   3.721
  527    H    GLU  82           H        GLU  82   1.312 -11.352   4.289
  528    HA   GLU  82           HA       GLU  82  -1.364 -11.893   3.113
  529   1HB   GLU  82          2HB       GLU  82   0.759 -13.932   3.827
  530   2HB   GLU  82          1HB       GLU  82  -0.958 -14.350   3.950
  531   1HG   GLU  82          2HG       GLU  82  -0.977 -13.261   1.478
  532   2HG   GLU  82          1HG       GLU  82   0.704 -13.818   1.539
  533    H    ASN  83           H        ASN  83   0.411 -10.879   5.712
  534    HA   ASN  83           HA       ASN  83  -1.802 -11.612   7.564
  535   1HB   ASN  83          2HB       ASN  83   1.157 -12.009   7.825
  536   2HB   ASN  83          1HB       ASN  83   0.334 -11.377   9.256
  537   1HD2  ASN  83          1HD2      ASN  83   1.452 -14.169   8.441
  538   2HD2  ASN  83          2HD2      ASN  83   0.149 -15.212   8.887
  539    H    ASN  84           H        ASN  84  -0.440  -9.165   5.897
  540    HA   ASN  84           HA       ASN  84  -0.693  -6.893   6.136
  541   1HB   ASN  84          2HB       ASN  84  -2.689  -7.744   7.682
  542   2HB   ASN  84          1HB       ASN  84  -1.645  -7.181   8.994
  543   1HD2  ASN  84          1HD2      ASN  84  -1.622  -4.988   9.404
  544   2HD2  ASN  84          2HD2      ASN  84  -2.374  -3.828   8.389
  545    H    GLN  85           H        GLN  85   1.682  -8.392   6.857
  546    HA   GLN  85           HA       GLN  85   2.875  -7.433   9.294
  547   1HB   GLN  85          2HB       GLN  85   4.516  -7.916   6.847
  548   2HB   GLN  85          1HB       GLN  85   4.878  -8.368   8.508
  549   1HG   GLN  85          2HG       GLN  85   2.498  -9.767   7.863
  550   2HG   GLN  85          1HG       GLN  85   3.534  -9.892   6.433
  551   1HE2  GLN  85          1HE2      GLN  85   2.982 -11.036   9.617
  552   2HE2  GLN  85          2HE2      GLN  85   4.419 -11.989   9.730
  553    H    LEU  86           H        LEU  86   2.557  -6.149   6.041
  554    HA   LEU  86           HA       LEU  86   2.596  -3.956   5.414
  555   1HB   LEU  86          2HB       LEU  86   2.536  -3.583   8.122
  556   2HB   LEU  86          1HB       LEU  86   4.114  -2.888   7.752
  557    HG   LEU  86           HG       LEU  86   2.490  -1.130   7.598
  558   1HD1  LEU  86          1HD1      LEU  86   2.903  -0.353   5.442
  559   2HD1  LEU  86          2HD1      LEU  86   2.920  -1.951   4.717
  560   3HD1  LEU  86          3HD1      LEU  86   4.240  -1.419   5.759
  561   1HD2  LEU  86          1HD2      LEU  86   0.945  -2.644   5.510
  562   2HD2  LEU  86          2HD2      LEU  86   0.431  -1.304   6.531
  563   3HD2  LEU  86          3HD2      LEU  86   0.598  -2.908   7.217
  564    H    ALA  87           H        ALA  87   4.038  -4.037   3.752
  565    HA   ALA  87           HA       ALA  87   6.874  -4.525   4.143
  566   1HB   ALA  87          1HB       ALA  87   5.288  -4.857   1.988
  567   2HB   ALA  87          2HB       ALA  87   7.028  -4.597   1.885
  568   3HB   ALA  87          3HB       ALA  87   5.952  -3.260   1.631
  569    H    GLY  88           H        GLY  88   4.786  -1.753   3.886
  570   1HA   GLY  88          2HA       GLY  88   6.137   0.149   5.204
  571   2HA   GLY  88          1HA       GLY  88   7.069   0.116   3.705
  572    H    VAL  89           H        VAL  89   6.407   2.214   3.048
  573    HA   VAL  89           HA       VAL  89   3.542   2.340   2.158
  574    HB   VAL  89           HB       VAL  89   5.191   4.546   3.422
  575   1HG1  VAL  89          1HG1      VAL  89   3.210   5.953   3.037
  576   2HG1  VAL  89          2HG1      VAL  89   2.408   4.624   2.207
  577   3HG1  VAL  89          3HG1      VAL  89   3.821   5.375   1.503
  578   1HG2  VAL  89          1HG2      VAL  89   4.173   3.009   5.031
  579   2HG2  VAL  89          2HG2      VAL  89   2.622   3.147   4.231
  580   3HG2  VAL  89          3HG2      VAL  89   3.309   4.528   5.022
  581    H    ILE  90           H        ILE  90   4.246   1.684   0.089
  582    HA   ILE  90           HA       ILE  90   6.277   3.228  -1.363
  583    HB   ILE  90           HB       ILE  90   5.504   1.857  -3.314
  584   1HG1  ILE  90          2HG1      ILE  90   3.613   0.665  -1.277
  585   2HG1  ILE  90          1HG1      ILE  90   3.155   1.544  -2.721
  586   1HG2  ILE  90          1HG2      ILE  90   7.205   1.161  -1.483
  587   2HG2  ILE  90          2HG2      ILE  90   6.591  -0.078  -2.562
  588   3HG2  ILE  90          3HG2      ILE  90   5.935   0.069  -0.929
  589   1HD1  ILE  90          1HD1      ILE  90   3.048  -0.917  -2.870
  590   2HD1  ILE  90          2HD1      ILE  90   4.779  -1.004  -2.803
  591   3HD1  ILE  90          3HD1      ILE  90   3.987  -0.161  -4.130
  592    H    THR  91           H        THR  91   5.881   4.953  -2.735
  593    HA   THR  91           HA       THR  91   3.045   5.647  -3.239
  594    HB   THR  91           HB       THR  91   4.014   7.056  -1.422
  595    HG1  THR  91           1HG      THR  91   3.544   8.550  -3.818
  596   1HG2  THR  91          1HG2      THR  91   5.906   8.317  -1.709
  597   2HG2  THR  91          2HG2      THR  91   5.694   8.451  -3.441
  598   3HG2  THR  91          3HG2      THR  91   6.337   6.974  -2.751
  599    H    HIS  92           H        HIS  92   2.704   5.657  -5.404
  600    HA   HIS  92           HA       HIS  92   4.933   6.010  -7.259
  601   1HB   HIS  92          2HB       HIS  92   2.272   4.849  -7.336
  602   2HB   HIS  92          1HB       HIS  92   2.429   5.995  -8.665
  603    HD1  HIS  92           1HD      HIS  92   2.500   4.084 -10.391
  604    HD2  HIS  92           2HD      HIS  92   5.610   4.058  -7.678
  605    HE1  HIS  92           1HE      HIS  92   4.221   2.473 -11.300
  606    HE2  HIS  92           2HE      HIS  92   6.225   2.661  -9.769
  607    H    THR  93           H        THR  93   5.379   8.223  -6.495
  608    HA   THR  93           HA       THR  93   4.427  10.212  -8.295
  609    HB   THR  93           HB       THR  93   2.944  10.023  -5.674
  610    HG1  THR  93           1HG      THR  93   2.192  10.724  -8.350
  611   1HG2  THR  93          1HG2      THR  93   3.659  12.555  -7.172
  612   2HG2  THR  93          2HG2      THR  93   3.772  12.225  -5.437
  613   3HG2  THR  93          3HG2      THR  93   2.200  12.417  -6.197
  614    H    GLY  94           H        GLY  94   5.855   9.454  -5.156
  615   1HA   GLY  94          2HA       GLY  94   7.038  11.947  -4.569
  616   2HA   GLY  94          1HA       GLY  94   7.677  10.386  -4.056
  617    H    ALA  95           H        ALA  95   7.724   9.759  -7.160
  618    HA   ALA  95           HA       ALA  95  10.330  11.150  -7.646
  619   1HB   ALA  95          1HB       ALA  95  11.178   9.098  -7.810
  620   2HB   ALA  95          2HB       ALA  95  10.203   8.840  -9.247
  621   3HB   ALA  95          3HB       ALA  95   9.595   8.356  -7.658
  622    H    SER  96           H        SER  96  10.812  11.448  -9.997
  623    HA   SER  96           HA       SER  96   8.948  12.945 -11.365
  624   1HB   SER  96          2HB       SER  96  11.194  11.187 -12.342
  625   2HB   SER  96          1HB       SER  96  10.157  12.003 -13.520
  626    HG   SER  96           HG       SER  96  11.867  13.131 -11.588
  627    H    GLY  97           H        GLY  97   6.914  12.458 -12.087
  628   1HA   GLY  97          2HA       GLY  97   5.253  11.235 -13.244
  629   2HA   GLY  97          1HA       GLY  97   6.391   9.904 -13.474
  630    H    ASN  98           H        ASN  98   6.811   8.501 -11.598
  631    HA   ASN  98           HA       ASN  98   4.998   8.750  -9.334
  632   1HB   ASN  98          2HB       ASN  98   4.611   6.070 -10.064
  633   2HB   ASN  98          1HB       ASN  98   3.431   7.344 -10.128
  634   1HD2  ASN  98          1HD2      ASN  98   4.926   5.055 -12.026
  635   2HD2  ASN  98          2HD2      ASN  98   4.652   5.802 -13.554
  636    H    ASN  99           H        ASN  99   6.479   5.740 -10.475
  637    HA   ASN  99           HA       ASN  99   8.141   4.450  -9.554
  638   1HB   ASN  99          2HB       ASN  99   9.103   7.221  -9.373
  639   2HB   ASN  99          1HB       ASN  99   9.871   6.175  -8.185
  640   1HD2  ASN  99          1HD2      ASN  99   9.816   7.129 -11.476
  641   2HD2  ASN  99          2HD2      ASN  99  10.896   5.910 -12.050
  642    H    PHE 100           H        PHE 100   8.082   3.211  -7.712
  643    HA   PHE 100           HA       PHE 100   6.560   4.285  -5.424
  644   1HB   PHE 100          2HB       PHE 100   7.779   1.576  -5.970
  645   2HB   PHE 100          1HB       PHE 100   6.825   1.938  -4.541
  646    HD1  PHE 100           1HD      PHE 100   4.545   3.306  -5.171
  647    HD2  PHE 100           2HD      PHE 100   6.634   0.531  -7.694
  648    HE1  PHE 100           1HE      PHE 100   2.459   2.896  -6.449
  649    HE2  PHE 100           2HE      PHE 100   4.543   0.110  -8.966
  650    HZ   PHE 100           HZ       PHE 100   2.457   1.302  -8.348
  651    H    VAL 101           H        VAL 101   7.483   5.152  -3.676
  652    HA   VAL 101           HA       VAL 101  10.186   4.277  -2.833
  653    HB   VAL 101           HB       VAL 101  10.603   6.833  -2.362
  654   1HG1  VAL 101          1HG1      VAL 101  10.682   6.080  -5.282
  655   2HG1  VAL 101          2HG1      VAL 101  11.660   5.222  -4.106
  656   3HG1  VAL 101          3HG1      VAL 101  11.872   6.956  -4.311
  657   1HG2  VAL 101          1HG2      VAL 101   8.583   6.968  -4.637
  658   2HG2  VAL 101          2HG2      VAL 101   9.513   8.304  -3.972
  659   3HG2  VAL 101          3HG2      VAL 101   8.305   7.509  -2.983
  660    H    GLU 102           H        GLU 102  10.339   4.170  -0.612
  661    HA   GLU 102           HA       GLU 102   7.966   4.275   0.945
  662   1HB   GLU 102          2HB       GLU 102   9.455   4.048   2.912
  663   2HB   GLU 102          1HB       GLU 102   9.923   2.946   1.609
  664   1HG   GLU 102          2HG       GLU 102  11.668   4.558   0.881
  665   2HG   GLU 102          1HG       GLU 102  11.230   5.614   2.221
  666    H    CYS 103           H        CYS 103   6.907   6.034   1.726
  667    HA   CYS 103           HA       CYS 103   7.756   8.704   1.275
  668   1HB   CYS 103          2HB       CYS 103   5.846   7.647   3.403
  669   2HB   CYS 103          1HB       CYS 103   5.952   9.311   2.847
  670    H    THR 104           H        THR 104   8.363  10.337   2.946
  671    HA   THR 104           HA       THR 104   9.764   9.168   5.314
  672    HB   THR 104           HB       THR 104  11.530  11.140   4.542
  673    HG1  THR 104           1HG      THR 104  10.822   9.852   2.100
  674   1HG2  THR 104          1HG2      THR 104  11.560   8.251   3.630
  675   2HG2  THR 104          2HG2      THR 104  12.093   8.836   5.209
  676   3HG2  THR 104          3HG2      THR 104  12.955   9.323   3.750
  Start of MODEL   17
    1   1H    ALA   1          1HT       ALA   1  -1.954  10.710  16.033
    2   2H    ALA   1          2HT       ALA   1  -1.770   9.837  17.494
    3   3H    ALA   1          3HT       ALA   1  -2.216   9.013  16.052
    4    HA   ALA   1           HA       ALA   1   0.358  10.399  16.571
    5   1HB   ALA   1          1HB       ALA   1   0.100   8.306  17.835
    6   2HB   ALA   1          2HB       ALA   1   1.287   8.112  16.546
    7   3HB   ALA   1          3HB       ALA   1  -0.340   7.455  16.355
    8    H    CYS   2           H        CYS   2   1.954   9.416  14.816
    9    HA   CYS   2           HA       CYS   2   0.948   8.552  12.327
   10   1HB   CYS   2          2HB       CYS   2   1.130  10.619  11.014
   11   2HB   CYS   2          1HB       CYS   2  -0.149  10.775  12.208
   12    H    ASP   3           H        ASP   3   2.834   7.279  12.537
   13    HA   ASP   3           HA       ASP   3   5.437   8.693  12.514
   14   1HB   ASP   3          2HB       ASP   3   4.659   6.315  13.643
   15   2HB   ASP   3          1HB       ASP   3   5.371   5.732  12.136
   16    H    TYR   4           H        TYR   4   3.167   8.042  10.199
   17    HA   TYR   4           HA       TYR   4   5.287   7.676   8.122
   18   1HB   TYR   4          2HB       TYR   4   2.552   6.401   8.395
   19   2HB   TYR   4          1HB       TYR   4   3.308   6.582   6.806
   20    HD1  TYR   4           1HD      TYR   4   3.222   4.645   9.835
   21    HD2  TYR   4           2HD      TYR   4   5.663   5.682   6.457
   22    HE1  TYR   4           1HE      TYR   4   4.634   2.645  10.242
   23    HE2  TYR   4           2HE      TYR   4   7.071   3.680   6.855
   24    HH   TYR   4           HH       TYR   4   6.401   1.183   8.279
   25    H    THR   5           H        THR   5   5.485   9.707   7.306
   26    HA   THR   5           HA       THR   5   2.985  10.985   6.264
   27    HB   THR   5           HB       THR   5   3.561  12.154   8.362
   28    HG1  THR   5           1HG      THR   5   4.424  13.793   6.189
   29   1HG2  THR   5          1HG2      THR   5   6.159  11.510   7.862
   30   2HG2  THR   5          2HG2      THR   5   5.647  12.786   8.945
   31   3HG2  THR   5          3HG2      THR   5   6.121  13.175   7.302
   32    H    CYS   6           H        CYS   6   3.352  10.788   4.097
   33    HA   CYS   6           HA       CYS   6   6.106  11.253   3.024
   34   1HB   CYS   6          2HB       CYS   6   3.512  10.228   1.837
   35   2HB   CYS   6          1HB       CYS   6   4.942  10.572   0.872
   36    H    GLY   7           H        GLY   7   4.077  13.271   4.095
   37   1HA   GLY   7          2HA       GLY   7   4.850  15.447   2.470
   38   2HA   GLY   7          1HA       GLY   7   3.219  14.955   1.998
   39    H    SER   8           H        SER   8   1.568  15.829   3.185
   40    HA   SER   8           HA       SER   8   2.245  16.913   5.907
   41   1HB   SER   8          2HB       SER   8  -0.115  18.008   4.450
   42   2HB   SER   8          1HB       SER   8   1.099  18.826   5.441
   43    HG   SER   8           HG       SER   8   1.200  18.122   2.722
   44    H    ASN   9           H        ASN   9   0.757  14.373   4.457
   45    HA   ASN   9           HA       ASN   9  -1.685  14.424   6.136
   46   1HB   ASN   9          2HB       ASN   9  -0.684  12.820   3.808
   47   2HB   ASN   9          1HB       ASN   9  -1.771  12.018   4.911
   48   1HD2  ASN   9          1HD2      ASN   9  -3.822  13.373   5.469
   49   2HD2  ASN   9          2HD2      ASN   9  -4.512  14.213   4.134
   50    H    CYS  10           H        CYS  10  -0.046  14.442   8.031
   51    HA   CYS  10           HA       CYS  10   1.569  12.275   8.724
   52   1HB   CYS  10          2HB       CYS  10   0.684  14.550  10.018
   53   2HB   CYS  10          1HB       CYS  10  -0.112  13.304  10.975
   54    H    TYR  11           H        TYR  11   0.631  10.333   7.943
   55    HA   TYR  11           HA       TYR  11  -2.026   9.517   8.925
   56   1HB   TYR  11          2HB       TYR  11   0.051   8.392   7.043
   57   2HB   TYR  11          1HB       TYR  11  -1.159   7.290   7.720
   58    HD1  TYR  11           1HD      TYR  11  -1.876   7.006   5.306
   59    HD2  TYR  11           2HD      TYR  11  -2.265  10.736   7.409
   60    HE1  TYR  11           1HE      TYR  11  -3.550   7.792   3.645
   61    HE2  TYR  11           2HE      TYR  11  -3.916  11.490   5.781
   62    HH   TYR  11           HH       TYR  11  -4.334  10.676   3.018
   63    H    SER  12           H        SER  12  -2.472   7.911  10.374
   64    HA   SER  12           HA       SER  12  -0.437   7.471  12.415
   65   1HB   SER  12          2HB       SER  12  -3.213   7.551  12.397
   66   2HB   SER  12          1HB       SER  12  -2.858   5.856  12.696
   67    HG   SER  12           HG       SER  12  -1.747   6.392  14.501
   68    H    SER  13           H        SER  13   0.914   5.748  12.540
   69    HA   SER  13           HA       SER  13   1.192   3.832  10.523
   70   1HB   SER  13          2HB       SER  13   2.194   2.403  12.550
   71   2HB   SER  13          1HB       SER  13   3.011   3.843  11.937
   72    HG   SER  13           HG       SER  13   2.755   3.891  14.223
   73    H    SER  14           H        SER  14  -0.691   3.639  13.541
   74    HA   SER  14           HA       SER  14  -1.619   0.957  13.184
   75   1HB   SER  14          2HB       SER  14  -2.703   3.354  14.682
   76   2HB   SER  14          1HB       SER  14  -3.568   1.811  14.677
   77    HG   SER  14           HG       SER  14  -1.909   0.855  15.724
   78    H    ASP  15           H        ASP  15  -2.769   4.065  11.961
   79    HA   ASP  15           HA       ASP  15  -5.230   3.076  10.911
   80   1HB   ASP  15          2HB       ASP  15  -4.559   5.533  11.294
   81   2HB   ASP  15          1HB       ASP  15  -3.693   5.424   9.757
   82    H    VAL  16           H        VAL  16  -1.924   3.206   9.789
   83    HA   VAL  16           HA       VAL  16  -2.368   2.694   7.032
   84    HB   VAL  16           HB       VAL  16  -0.058   1.518   8.627
   85   1HG1  VAL  16          1HG1      VAL  16   1.140   1.870   6.521
   86   2HG1  VAL  16          2HG1      VAL  16  -0.303   2.570   5.785
   87   3HG1  VAL  16          3HG1      VAL  16  -0.277   0.867   6.248
   88   1HG2  VAL  16          1HG2      VAL  16   1.093   3.670   8.241
   89   2HG2  VAL  16          2HG2      VAL  16  -0.308   3.879   9.244
   90   3HG2  VAL  16          3HG2      VAL  16  -0.387   4.346   7.570
   91    H    SER  17           H        SER  17  -2.627   0.690   9.884
   92    HA   SER  17           HA       SER  17  -2.604  -1.843   8.504
   93   1HB   SER  17          2HB       SER  17  -2.131  -1.537  10.951
   94   2HB   SER  17          1HB       SER  17  -3.848  -1.199  11.191
   95    HG   SER  17           HG       SER  17  -4.348  -3.253  10.630
   96    H    THR  18           H        THR  18  -5.123   0.428   9.605
   97    HA   THR  18           HA       THR  18  -7.371  -1.185   8.945
   98    HB   THR  18           HB       THR  18  -8.105   1.490   8.301
   99    HG1  THR  18           1HG      THR  18  -6.461   1.596  10.596
  100   1HG2  THR  18          1HG2      THR  18  -9.362  -0.087   9.711
  101   2HG2  THR  18          2HG2      THR  18  -9.126   1.464  10.516
  102   3HG2  THR  18          3HG2      THR  18  -8.142   0.076  10.978
  103    H    ALA  19           H        ALA  19  -5.378   0.997   6.985
  104    HA   ALA  19           HA       ALA  19  -6.950   0.556   4.561
  105   1HB   ALA  19          1HB       ALA  19  -4.166   1.691   4.980
  106   2HB   ALA  19          2HB       ALA  19  -5.686   2.591   4.871
  107   3HB   ALA  19          3HB       ALA  19  -5.069   1.734   3.457
  108    H    GLN  20           H        GLN  20  -4.261  -0.940   6.202
  109    HA   GLN  20           HA       GLN  20  -3.388  -2.539   3.942
  110   1HB   GLN  20          2HB       GLN  20  -2.475  -1.998   6.614
  111   2HB   GLN  20          1HB       GLN  20  -2.703  -3.723   6.513
  112   1HG   GLN  20          2HG       GLN  20  -0.409  -2.707   5.880
  113   2HG   GLN  20          1HG       GLN  20  -1.106  -3.956   4.854
  114   1HE2  GLN  20          1HE2      GLN  20   0.363  -2.899   3.205
  115   2HE2  GLN  20          2HE2      GLN  20  -0.337  -1.689   2.250
  116    H    ALA  21           H        ALA  21  -5.986  -2.680   6.145
  117    HA   ALA  21           HA       ALA  21  -6.372  -5.585   5.757
  118   1HB   ALA  21          1HB       ALA  21  -8.308  -5.275   7.239
  119   2HB   ALA  21          2HB       ALA  21  -8.021  -3.533   7.257
  120   3HB   ALA  21          3HB       ALA  21  -6.838  -4.629   7.966
  121    H    ALA  22           H        ALA  22  -7.132  -2.627   4.230
  122    HA   ALA  22           HA       ALA  22  -9.704  -3.485   3.123
  123   1HB   ALA  22          1HB       ALA  22  -9.567  -1.402   1.850
  124   2HB   ALA  22          2HB       ALA  22  -7.906  -1.152   2.378
  125   3HB   ALA  22          3HB       ALA  22  -9.225  -1.097   3.547
  126    H    GLY  23           H        GLY  23  -6.452  -2.751   1.757
  127   1HA   GLY  23          2HA       GLY  23  -7.035  -3.984  -0.802
  128   2HA   GLY  23          1HA       GLY  23  -5.443  -3.589  -0.183
  129    H    TYR  24           H        TYR  24  -5.970  -5.154   2.319
  130    HA   TYR  24           HA       TYR  24  -4.930  -7.679   1.305
  131   1HB   TYR  24          2HB       TYR  24  -4.013  -6.936   3.409
  132   2HB   TYR  24          1HB       TYR  24  -5.629  -6.634   4.051
  133    HD1  TYR  24           1HD      TYR  24  -6.122  -8.089   5.771
  134    HD2  TYR  24           2HD      TYR  24  -4.062  -9.548   2.295
  135    HE1  TYR  24           1HE      TYR  24  -6.207 -10.390   6.690
  136    HE2  TYR  24           2HE      TYR  24  -4.148 -11.854   3.209
  137    HH   TYR  24           HH       TYR  24  -6.082 -12.948   5.319
  138    H    GLN  25           H        GLN  25  -7.861  -6.753   3.152
  139    HA   GLN  25           HA       GLN  25  -9.143  -9.215   3.222
  140   1HB   GLN  25          2HB       GLN  25  -9.982  -6.886   4.002
  141   2HB   GLN  25          1HB       GLN  25 -10.670  -6.709   2.391
  142   1HG   GLN  25          2HG       GLN  25 -11.276  -9.317   3.643
  143   2HG   GLN  25          1HG       GLN  25 -11.839  -7.937   4.595
  144   1HE2  GLN  25          1HE2      GLN  25 -14.059  -8.042   4.102
  145   2HE2  GLN  25          2HE2      GLN  25 -14.662  -7.861   2.492
  146    H    LEU  26           H        LEU  26  -9.131  -6.873   0.537
  147    HA   LEU  26           HA       LEU  26 -10.697  -8.433  -1.268
  148   1HB   LEU  26          2HB       LEU  26  -8.917  -6.070  -1.401
  149   2HB   LEU  26          1HB       LEU  26  -8.835  -7.037  -2.871
  150    HG   LEU  26           HG       LEU  26 -10.629  -5.216  -2.836
  151   1HD1  LEU  26          1HD1      LEU  26 -11.449  -8.105  -3.243
  152   2HD1  LEU  26          2HD1      LEU  26 -10.659  -7.054  -4.399
  153   3HD1  LEU  26          3HD1      LEU  26 -12.305  -6.698  -3.870
  154   1HD2  LEU  26          1HD2      LEU  26 -12.506  -5.438  -1.493
  155   2HD2  LEU  26          2HD2      LEU  26 -11.235  -5.918  -0.378
  156   3HD2  LEU  26          3HD2      LEU  26 -12.238  -7.143  -1.159
  157    H    HIS  27           H        HIS  27  -7.159  -8.262  -0.866
  158    HA   HIS  27           HA       HIS  27  -6.519 -10.160  -2.876
  159   1HB   HIS  27          2HB       HIS  27  -4.734  -8.875  -1.917
  160   2HB   HIS  27          1HB       HIS  27  -5.120  -9.438  -0.283
  161    HD1  HIS  27           1HD      HIS  27  -4.733 -11.546  -3.436
  162    HD2  HIS  27           2HD      HIS  27  -2.941 -11.029   0.297
  163    HE1  HIS  27           1HE      HIS  27  -2.985 -13.358  -3.224
  164    HE2  HIS  27           2HE      HIS  27  -2.121 -13.218  -0.851
  165    H    GLU  28           H        GLU  28  -8.125 -10.677   0.139
  166    HA   GLU  28           HA       GLU  28  -7.323 -13.519   0.221
  167   1HB   GLU  28          2HB       GLU  28  -7.490 -12.050   2.296
  168   2HB   GLU  28          1HB       GLU  28  -9.239 -12.081   2.084
  169   1HG   GLU  28          2HG       GLU  28  -8.295 -14.787   1.836
  170   2HG   GLU  28          1HG       GLU  28  -7.498 -14.067   3.243
  171    H    ASP  29           H        ASP  29 -10.062 -11.474  -0.660
  172    HA   ASP  29           HA       ASP  29 -11.752 -13.903  -1.017
  173   1HB   ASP  29          2HB       ASP  29 -12.288 -11.178  -0.283
  174   2HB   ASP  29          1HB       ASP  29 -13.081 -11.465  -1.836
  175    H    GLY  30           H        GLY  30  -9.407 -12.537  -2.763
  176   1HA   GLY  30          2HA       GLY  30  -8.960 -12.321  -5.032
  177   2HA   GLY  30          1HA       GLY  30 -10.035 -13.710  -5.193
  178    H    GLU  31           H        GLU  31 -11.038 -10.526  -3.976
  179    HA   GLU  31           HA       GLU  31 -12.911 -10.381  -6.296
  180   1HB   GLU  31          2HB       GLU  31 -13.479 -10.197  -3.647
  181   2HB   GLU  31          1HB       GLU  31 -13.222  -8.516  -3.978
  182   1HG   GLU  31          2HG       GLU  31 -15.357  -8.511  -4.631
  183   2HG   GLU  31          1HG       GLU  31 -14.729  -9.160  -6.151
  184    H    THR  32           H        THR  32 -13.296  -7.435  -5.693
  185    HA   THR  32           HA       THR  32 -10.707  -6.244  -6.293
  186    HB   THR  32           HB       THR  32 -12.662  -5.527  -8.405
  187    HG1  THR  32           1HG      THR  32 -12.721  -7.463  -9.401
  188   1HG2  THR  32          1HG2      THR  32  -9.891  -5.468  -7.999
  189   2HG2  THR  32          2HG2      THR  32 -10.774  -5.095  -9.484
  190   3HG2  THR  32          3HG2      THR  32 -10.140  -6.710  -9.220
  191    H    VAL  33           H        VAL  33 -11.286  -3.800  -7.052
  192    HA   VAL  33           HA       VAL  33 -13.112  -2.805  -4.904
  193    HB   VAL  33           HB       VAL  33 -11.953  -0.666  -5.194
  194   1HG1  VAL  33          1HG1      VAL  33  -9.786  -1.329  -4.463
  195   2HG1  VAL  33          2HG1      VAL  33  -9.967  -2.955  -5.114
  196   3HG1  VAL  33          3HG1      VAL  33 -10.954  -2.425  -3.744
  197   1HG2  VAL  33          1HG2      VAL  33  -9.788  -1.272  -6.876
  198   2HG2  VAL  33          2HG2      VAL  33 -11.130  -0.205  -7.236
  199   3HG2  VAL  33          3HG2      VAL  33 -11.185  -1.877  -7.756
  200    H    GLY  34           H        GLY  34 -13.154  -0.160  -6.577
  201   1HA   GLY  34          2HA       GLY  34 -15.697  -0.197  -7.530
  202   2HA   GLY  34          1HA       GLY  34 -14.435   0.783  -8.277
  203    H    SER  35           H        SER  35 -12.827  -1.019  -9.485
  204    HA   SER  35           HA       SER  35 -13.982  -3.200 -10.831
  205   1HB   SER  35          2HB       SER  35 -14.276  -1.759 -13.125
  206   2HB   SER  35          1HB       SER  35 -15.606  -2.067 -12.009
  207    HG   SER  35           HG       SER  35 -15.452   0.149 -12.451
  208    H    ASN  36           H        ASN  36 -11.841  -0.392 -11.053
  209    HA   ASN  36           HA       ASN  36 -10.138  -1.562 -13.096
  210   1HB   ASN  36          2HB       ASN  36  -9.956   0.795 -11.208
  211   2HB   ASN  36          1HB       ASN  36  -8.524   0.286 -12.112
  212   1HD2  ASN  36          1HD2      ASN  36  -8.407   0.833 -14.303
  213   2HD2  ASN  36          2HD2      ASN  36  -9.685   1.642 -15.138
  214    H    SER  37           H        SER  37 -10.612  -2.310  -9.824
  215    HA   SER  37           HA       SER  37  -9.485  -3.767  -8.462
  216   1HB   SER  37          2HB       SER  37  -8.037  -5.327  -9.428
  217   2HB   SER  37          1HB       SER  37  -8.790  -4.711 -10.903
  218    HG   SER  37           HG       SER  37  -6.582  -4.580 -11.165
  219    H    TYR  38           H        TYR  38  -6.759  -4.084  -7.988
  220    HA   TYR  38           HA       TYR  38  -5.128  -1.878  -8.048
  221   1HB   TYR  38          2HB       TYR  38  -7.386  -1.125  -6.522
  222   2HB   TYR  38          1HB       TYR  38  -6.141  -1.465  -5.341
  223    HD1  TYR  38           1HD      TYR  38  -3.710  -0.643  -5.995
  224    HD2  TYR  38           2HD      TYR  38  -7.371   1.000  -7.468
  225    HE1  TYR  38           1HE      TYR  38  -2.536   1.477  -6.519
  226    HE2  TYR  38           2HE      TYR  38  -6.199   3.137  -7.990
  227    HH   TYR  38           HH       TYR  38  -3.560   3.717  -8.530
  228    HA   PRO  39           HA       PRO  39  -3.935  -4.506  -4.229
  229   1HB   PRO  39          2HB       PRO  39  -5.579  -6.589  -3.579
  230   2HB   PRO  39          1HB       PRO  39  -5.697  -4.969  -2.899
  231   1HG   PRO  39          2HG       PRO  39  -7.451  -6.279  -4.930
  232   2HG   PRO  39          1HG       PRO  39  -7.845  -5.002  -3.767
  233   1HD   PRO  39          2HD       PRO  39  -7.322  -4.682  -6.496
  234   2HD   PRO  39          1HD       PRO  39  -7.417  -3.374  -5.312
  235    H    HIS  40           H        HIS  40  -2.275  -5.278  -5.552
  236    HA   HIS  40           HA       HIS  40  -2.614  -8.100  -6.474
  237   1HB   HIS  40          2HB       HIS  40  -0.886  -6.747  -8.365
  238   2HB   HIS  40          1HB       HIS  40  -2.394  -7.619  -8.662
  239    HD1  HIS  40           1HD      HIS  40  -4.579  -6.274  -8.731
  240    HD2  HIS  40           2HD      HIS  40  -1.168  -3.942  -8.336
  241    HE1  HIS  40           1HE      HIS  40  -5.229  -3.930  -9.309
  242    HE2  HIS  40           2HE      HIS  40  -3.272  -2.446  -8.720
  243    H    LYS  41           H        LYS  41  -0.444  -9.158  -6.843
  244    HA   LYS  41           HA       LYS  41   1.236  -8.671  -4.628
  245   1HB   LYS  41          2HB       LYS  41   2.862 -10.187  -5.667
  246   2HB   LYS  41          1HB       LYS  41   1.226 -10.815  -5.873
  247   1HG   LYS  41          2HG       LYS  41   2.132 -11.059  -7.987
  248   2HG   LYS  41          1HG       LYS  41   1.217  -9.564  -8.137
  249   1HD   LYS  41          2HD       LYS  41   3.869  -8.896  -7.195
  250   2HD   LYS  41          1HD       LYS  41   4.020 -10.045  -8.507
  251   1HE   LYS  41          2HE       LYS  41   1.995  -8.053  -9.175
  252   2HE   LYS  41          1HE       LYS  41   3.549  -7.311  -8.766
  253   1HZ   LYS  41          1HZ       LYS  41   4.646  -8.743 -10.342
  254   2HZ   LYS  41          2HZ       LYS  41   3.408  -7.878 -11.102
  255   3HZ   LYS  41          3HZ       LYS  41   3.181  -9.509 -10.724
  256    H    TYR  42           H        TYR  42   3.417  -7.731  -4.557
  257    HA   TYR  42           HA       TYR  42   3.983  -5.842  -6.802
  258   1HB   TYR  42          2HB       TYR  42   3.072  -4.254  -5.458
  259   2HB   TYR  42          1HB       TYR  42   3.234  -5.214  -3.990
  260    HD1  TYR  42           1HD      TYR  42   5.709  -5.534  -3.129
  261    HD2  TYR  42           2HD      TYR  42   4.447  -2.393  -5.731
  262    HE1  TYR  42           1HE      TYR  42   7.643  -4.221  -2.412
  263    HE2  TYR  42           2HE      TYR  42   6.404  -1.079  -5.003
  264    HH   TYR  42           HH       TYR  42   8.017  -1.306  -2.470
  265    H    ASN  43           H        ASN  43   6.201  -5.155  -6.911
  266    HA   ASN  43           HA       ASN  43   8.123  -6.677  -5.196
  267   1HB   ASN  43          2HB       ASN  43   8.653  -6.473  -8.176
  268   2HB   ASN  43          1HB       ASN  43   9.226  -7.617  -6.969
  269   1HD2  ASN  43          1HD2      ASN  43   8.419  -9.619  -7.419
  270   2HD2  ASN  43          2HD2      ASN  43   6.786  -9.913  -7.896
  271    H    ASN  44           H        ASN  44   8.392  -4.547  -8.082
  272    HA   ASN  44           HA       ASN  44   9.215  -2.408  -8.240
  273   1HB   ASN  44          2HB       ASN  44   8.255  -2.372  -5.749
  274   2HB   ASN  44          1HB       ASN  44   9.930  -2.147  -5.321
  275   1HD2  ASN  44          1HD2      ASN  44   7.969  -0.967  -8.112
  276   2HD2  ASN  44          2HD2      ASN  44   8.375   0.679  -7.813
  277    H    TYR  45           H        TYR  45  11.157  -3.750  -5.524
  278    HA   TYR  45           HA       TYR  45  13.428  -4.192  -5.415
  279   1HB   TYR  45          2HB       TYR  45  13.313  -4.099  -8.472
  280   2HB   TYR  45          1HB       TYR  45  14.643  -4.707  -7.500
  281    HD1  TYR  45           1HD      TYR  45  11.487  -5.526  -8.998
  282    HD2  TYR  45           2HD      TYR  45  14.232  -6.618  -5.881
  283    HE1  TYR  45           1HE      TYR  45  10.444  -7.772  -8.869
  284    HE2  TYR  45           2HE      TYR  45  13.186  -8.861  -5.742
  285    HH   TYR  45           HH       TYR  45  11.626 -10.320  -7.792
  286    H    GLU  46           H        GLU  46  12.067  -1.388  -6.140
  287    HA   GLU  46           HA       GLU  46  13.700   0.344  -7.414
  288   1HB   GLU  46          2HB       GLU  46  11.641   0.547  -5.547
  289   2HB   GLU  46          1HB       GLU  46  12.984   1.296  -4.734
  290   1HG   GLU  46          2HG       GLU  46  12.819   2.137  -7.526
  291   2HG   GLU  46          1HG       GLU  46  11.351   2.482  -6.613
  292    H    GLY  47           H        GLY  47  14.173  -0.711  -4.045
  293   1HA   GLY  47          2HA       GLY  47  16.891  -1.137  -4.015
  294   2HA   GLY  47          1HA       GLY  47  16.796   0.621  -3.877
  295    H    PHE  48           H        PHE  48  14.486  -1.716  -2.482
  296    HA   PHE  48           HA       PHE  48  15.319  -0.730   0.221
  297   1HB   PHE  48          2HB       PHE  48  12.589  -1.876  -0.378
  298   2HB   PHE  48          1HB       PHE  48  13.086  -0.749   0.894
  299    HD1  PHE  48           1HD      PHE  48  11.379  -0.966  -2.135
  300    HD2  PHE  48           2HD      PHE  48  14.213   1.507  -0.058
  301    HE1  PHE  48           1HE      PHE  48  10.740   0.962  -3.558
  302    HE2  PHE  48           2HE      PHE  48  13.571   3.436  -1.481
  303    HZ   PHE  48           HZ       PHE  48  11.827   3.154  -3.222
  304    H    ASP  49           H        ASP  49  14.406  -2.469   1.909
  305    HA   ASP  49           HA       ASP  49  15.145  -5.200   0.896
  306   1HB   ASP  49          2HB       ASP  49  15.863  -4.192   3.663
  307   2HB   ASP  49          1HB       ASP  49  16.499  -5.598   2.795
  308    H    PHE  50           H        PHE  50  13.296  -3.259   3.232
  309    HA   PHE  50           HA       PHE  50  11.431  -3.814   4.497
  310   1HB   PHE  50          2HB       PHE  50  11.138  -5.803   2.206
  311   2HB   PHE  50          1HB       PHE  50   9.903  -5.524   3.432
  312    HD1  PHE  50           1HD      PHE  50  10.636  -2.414   3.597
  313    HD2  PHE  50           2HD      PHE  50   9.590  -5.114   0.433
  314    HE1  PHE  50           1HE      PHE  50   9.701  -0.546   2.305
  315    HE2  PHE  50           2HE      PHE  50   8.617  -3.249  -0.845
  316    HZ   PHE  50           HZ       PHE  50   8.683  -0.955   0.080
  317    H    SER  51           H        SER  51  10.238  -5.855   5.479
  318    HA   SER  51           HA       SER  51  12.234  -7.970   6.165
  319   1HB   SER  51          2HB       SER  51  12.027  -7.648   8.481
  320   2HB   SER  51          1HB       SER  51  12.052  -5.980   7.898
  321    HG   SER  51           HG       SER  51   9.955  -7.447   8.983
  322    H    VAL  52           H        VAL  52   9.623  -7.620   4.576
  323    HA   VAL  52           HA       VAL  52   7.813  -9.415   6.104
  324    HB   VAL  52           HB       VAL  52   7.510  -7.896   3.527
  325   1HG1  VAL  52          1HG1      VAL  52   6.043  -9.614   3.062
  326   2HG1  VAL  52          2HG1      VAL  52   5.007  -8.683   4.125
  327   3HG1  VAL  52          3HG1      VAL  52   5.882 -10.070   4.758
  328   1HG2  VAL  52          1HG2      VAL  52   5.767  -6.681   4.857
  329   2HG2  VAL  52          2HG2      VAL  52   7.410  -6.470   5.459
  330   3HG2  VAL  52          3HG2      VAL  52   6.316  -7.582   6.272
  331    H    SER  53           H        SER  53   8.045  -9.492   2.576
  332    HA   SER  53           HA       SER  53   9.658 -11.876   2.471
  333   1HB   SER  53          2HB       SER  53   6.639 -12.133   2.235
  334   2HB   SER  53          1HB       SER  53   7.768 -13.382   1.708
  335    HG   SER  53           HG       SER  53   7.135 -13.832   3.794
  336    H    SER  54           H        SER  54   8.835 -12.993   0.138
  337    HA   SER  54           HA       SER  54   9.526 -10.968  -1.819
  338   1HB   SER  54          2HB       SER  54   8.446 -13.515  -2.875
  339   2HB   SER  54          1HB       SER  54   9.992 -12.727  -3.123
  340    HG   SER  54           HG       SER  54  10.348 -14.605  -1.982
  341    HA   PRO  55           HA       PRO  55   5.088 -11.820  -3.401
  342   1HB   PRO  55          2HB       PRO  55   3.394 -13.183  -1.730
  343   2HB   PRO  55          1HB       PRO  55   4.416 -13.942  -2.948
  344   1HG   PRO  55          2HG       PRO  55   4.780 -13.865   0.022
  345   2HG   PRO  55          1HG       PRO  55   5.303 -15.098  -1.138
  346   1HD   PRO  55          2HD       PRO  55   6.888 -13.119   0.002
  347   2HD   PRO  55          1HD       PRO  55   7.342 -14.113  -1.369
  348    H    TYR  56           H        TYR  56   5.052  -9.594  -3.018
  349    HA   TYR  56           HA       TYR  56   3.894  -8.621  -0.451
  350   1HB   TYR  56          2HB       TYR  56   5.293  -7.395  -2.792
  351   2HB   TYR  56          1HB       TYR  56   4.307  -6.351  -1.809
  352    HD1  TYR  56           1HD      TYR  56   7.523  -7.633  -2.220
  353    HD2  TYR  56           2HD      TYR  56   4.648  -6.646   0.808
  354    HE1  TYR  56           1HE      TYR  56   9.348  -7.419  -0.556
  355    HE2  TYR  56           2HE      TYR  56   6.464  -6.459   2.473
  356    HH   TYR  56           HH       TYR  56   9.318  -7.673   2.280
  357    H    TYR  57           H        TYR  57   2.465  -6.452  -1.237
  358    HA   TYR  57           HA       TYR  57   0.648  -7.054  -3.394
  359   1HB   TYR  57          2HB       TYR  57  -0.214  -7.374  -0.506
  360   2HB   TYR  57          1HB       TYR  57  -1.378  -7.120  -1.819
  361    HD1  TYR  57           1HD      TYR  57  -1.412  -8.723  -3.772
  362    HD2  TYR  57           2HD      TYR  57   0.751  -9.509  -0.166
  363    HE1  TYR  57           1HE      TYR  57  -1.299 -11.127  -4.371
  364    HE2  TYR  57           2HE      TYR  57   0.852 -11.921  -0.735
  365    HH   TYR  57           HH       TYR  57   0.679 -13.205  -3.361
  366    H    GLU  58           H        GLU  58   0.694  -5.036  -4.222
  367    HA   GLU  58           HA       GLU  58   0.928  -2.682  -2.526
  368   1HB   GLU  58          2HB       GLU  58   0.812  -1.430  -4.643
  369   2HB   GLU  58          1HB       GLU  58   1.958  -2.758  -4.745
  370   1HG   GLU  58          2HG       GLU  58   0.820  -3.822  -6.338
  371   2HG   GLU  58          1HG       GLU  58  -0.738  -3.613  -5.563
  372    H    TRP  59           H        TRP  59  -0.608  -1.224  -1.989
  373    HA   TRP  59           HA       TRP  59  -3.278  -1.214  -3.150
  374   1HB   TRP  59          2HB       TRP  59  -3.734  -3.002  -1.626
  375   2HB   TRP  59          1HB       TRP  59  -2.777  -2.240  -0.351
  376    HD1  TRP  59           HD       TRP  59  -3.910  -0.587   1.212
  377    HE1  TRP  59           1HE      TRP  59  -6.306   0.312   1.460
  378    HE3  TRP  59           3HE      TRP  59  -5.949  -2.380  -3.113
  379    HZ2  TRP  59           2HZ      TRP  59  -8.771   0.270  -0.014
  380    HZ3  TRP  59           3HZ      TRP  59  -8.295  -1.946  -3.645
  381    HH2  TRP  59           HH       TRP  59  -9.727  -0.639  -2.143
  382    HA   PRO  60           HA       PRO  60  -2.451   2.978  -1.889
  383   1HB   PRO  60          2HB       PRO  60  -4.968   4.009  -2.297
  384   2HB   PRO  60          1HB       PRO  60  -3.803   3.683  -3.578
  385   1HG   PRO  60          2HG       PRO  60  -6.177   2.056  -2.749
  386   2HG   PRO  60          1HG       PRO  60  -5.530   2.299  -4.378
  387   1HD   PRO  60          2HD       PRO  60  -5.130   0.053  -2.855
  388   2HD   PRO  60          1HD       PRO  60  -4.050   0.539  -4.105
  389    H    ILE  61           H        ILE  61  -2.669   4.267  -0.093
  390    HA   ILE  61           HA       ILE  61  -4.347   3.148   2.120
  391    HB   ILE  61           HB       ILE  61  -2.164   2.988   2.879
  392   1HG1  ILE  61          2HG1      ILE  61  -1.800   4.698   4.545
  393   2HG1  ILE  61          1HG1      ILE  61  -2.776   5.863   3.660
  394   1HG2  ILE  61          1HG2      ILE  61  -0.975   3.932   1.060
  395   2HG2  ILE  61          2HG2      ILE  61  -0.474   4.865   2.449
  396   3HG2  ILE  61          3HG2      ILE  61  -1.673   5.511   1.324
  397   1HD1  ILE  61          1HD1      ILE  61  -4.529   3.775   4.012
  398   2HD1  ILE  61          2HD1      ILE  61  -4.430   5.181   5.007
  399   3HD1  ILE  61          3HD1      ILE  61  -3.583   3.723   5.467
  400    H    LEU  62           H        LEU  62  -5.990   4.454   2.859
  401    HA   LEU  62           HA       LEU  62  -5.822   7.390   2.246
  402   1HB   LEU  62          2HB       LEU  62  -8.531   6.209   2.531
  403   2HB   LEU  62          1HB       LEU  62  -7.914   7.390   1.368
  404    HG   LEU  62           HG       LEU  62  -7.487   4.383   1.249
  405   1HD1  LEU  62          1HD1      LEU  62  -9.735   5.084   0.601
  406   2HD1  LEU  62          2HD1      LEU  62  -8.783   4.584  -0.780
  407   3HD1  LEU  62          3HD1      LEU  62  -9.062   6.282  -0.507
  408   1HD2  LEU  62          1HD2      LEU  62  -6.757   5.673  -1.156
  409   2HD2  LEU  62          2HD2      LEU  62  -5.710   4.835  -0.052
  410   3HD2  LEU  62          3HD2      LEU  62  -5.951   6.580   0.104
  411    H    SER  63           H        SER  63  -7.058   8.729   3.787
  412    HA   SER  63           HA       SER  63  -7.494   7.394   6.440
  413   1HB   SER  63          2HB       SER  63  -6.064  10.029   5.980
  414   2HB   SER  63          1HB       SER  63  -6.421   9.308   7.549
  415    HG   SER  63           HG       SER  63  -4.565   8.327   7.301
  416    H    SER  64           H        SER  64  -8.972   8.968   3.994
  417    HA   SER  64           HA       SER  64 -10.627  10.703   5.768
  418   1HB   SER  64          2HB       SER  64  -9.691  10.902   3.023
  419   2HB   SER  64          1HB       SER  64 -11.454  10.989   3.071
  420    HG   SER  64           HG       SER  64 -11.353  12.735   4.374
  421    H    GLY  65           H        GLY  65 -11.339   8.752   2.836
  422   1HA   GLY  65          2HA       GLY  65 -13.985   8.089   3.852
  423   2HA   GLY  65          1HA       GLY  65 -13.240   7.460   2.382
  424    H    ASP  66           H        ASP  66 -12.016   5.545   2.496
  425    HA   ASP  66           HA       ASP  66 -11.181   4.269   4.893
  426   1HB   ASP  66          2HB       ASP  66 -13.642   4.113   5.345
  427   2HB   ASP  66          1HB       ASP  66 -13.842   3.228   3.835
  428    H    VAL  67           H        VAL  67 -12.433   3.808   1.586
  429    HA   VAL  67           HA       VAL  67 -10.167   1.913   1.128
  430    HB   VAL  67           HB       VAL  67 -12.915   1.441  -0.068
  431   1HG1  VAL  67          1HG1      VAL  67 -10.531  -0.339   0.491
  432   2HG1  VAL  67          2HG1      VAL  67 -10.974   0.324  -1.073
  433   3HG1  VAL  67          3HG1      VAL  67 -12.016  -0.840  -0.292
  434   1HG2  VAL  67          1HG2      VAL  67 -13.291   1.394   2.319
  435   2HG2  VAL  67          2HG2      VAL  67 -11.828   0.444   2.583
  436   3HG2  VAL  67          3HG2      VAL  67 -13.209  -0.268   1.748
  437    H    TYR  68           H        TYR  68  -9.505   1.834  -1.125
  438    HA   TYR  68           HA       TYR  68  -9.695   4.391  -2.452
  439   1HB   TYR  68          2HB       TYR  68  -7.664   3.213  -2.731
  440   2HB   TYR  68          1HB       TYR  68  -8.477   1.732  -3.265
  441    HD1  TYR  68           1HD      TYR  68  -9.198   1.469  -5.541
  442    HD2  TYR  68           2HD      TYR  68  -7.635   5.230  -4.180
  443    HE1  TYR  68           1HE      TYR  68  -9.085   2.269  -7.887
  444    HE2  TYR  68           2HE      TYR  68  -7.518   6.030  -6.524
  445    HH   TYR  68           HH       TYR  68  -9.111   4.678  -9.047
  446    H    SER  69           H        SER  69 -11.467   5.007  -3.540
  447    HA   SER  69           HA       SER  69 -12.658   3.178  -5.534
  448   1HB   SER  69          2HB       SER  69 -14.051   2.566  -3.684
  449   2HB   SER  69          1HB       SER  69 -14.182   4.243  -3.136
  450    HG   SER  69           HG       SER  69 -16.045   3.523  -4.311
  451    H    GLY  70           H        GLY  70 -12.852   6.366  -3.911
  452   1HA   GLY  70          2HA       GLY  70 -14.272   7.728  -5.941
  453   2HA   GLY  70          1HA       GLY  70 -13.118   8.488  -4.844
  454    H    GLY  71           H        GLY  71 -10.915   6.668  -5.793
  455   1HA   GLY  71          2HA       GLY  71  -9.673   6.349  -7.823
  456   2HA   GLY  71          1HA       GLY  71 -10.556   7.632  -8.597
  457    H    SER  72           H        SER  72  -8.352   8.451  -9.140
  458    HA   SER  72           HA       SER  72  -6.577   9.910  -8.782
  459   1HB   SER  72          2HB       SER  72  -7.057  11.833  -7.502
  460   2HB   SER  72          1HB       SER  72  -8.663  11.252  -7.955
  461    HG   SER  72           HG       SER  72  -7.421  11.269  -5.469
  462    HA   PRO  73           HA       PRO  73  -5.098   7.317  -5.160
  463   1HB   PRO  73          2HB       PRO  73  -3.631   5.531  -6.622
  464   2HB   PRO  73          1HB       PRO  73  -5.305   5.289  -6.209
  465   1HG   PRO  73          2HG       PRO  73  -4.110   6.047  -8.838
  466   2HG   PRO  73          1HG       PRO  73  -5.623   5.185  -8.511
  467   1HD   PRO  73          2HD       PRO  73  -5.375   7.928  -9.207
  468   2HD   PRO  73          1HD       PRO  73  -6.814   7.100  -8.594
  469    H    GLY  74           H        GLY  74  -2.430   6.402  -5.432
  470   1HA   GLY  74          2HA       GLY  74  -0.253   7.134  -5.914
  471   2HA   GLY  74          1HA       GLY  74  -0.843   8.664  -6.522
  472    H    ALA  75           H        ALA  75   0.996   9.424  -5.006
  473    HA   ALA  75           HA       ALA  75   1.543  10.631  -3.115
  474   1HB   ALA  75          1HB       ALA  75  -1.297  10.074  -2.168
  475   2HB   ALA  75          2HB       ALA  75  -0.838  11.369  -3.248
  476   3HB   ALA  75          3HB       ALA  75  -0.198  11.323  -1.613
  477    H    ASP  76           H        ASP  76  -0.763   8.406  -1.501
  478    HA   ASP  76           HA       ASP  76   1.592   7.227  -0.081
  479   1HB   ASP  76          2HB       ASP  76  -1.252   7.792   0.834
  480   2HB   ASP  76          1HB       ASP  76  -0.154   6.728   1.703
  481    H    ARG  77           H        ARG  77   1.839   5.043  -0.164
  482    HA   ARG  77           HA       ARG  77  -0.424   3.288  -0.868
  483   1HB   ARG  77          2HB       ARG  77   1.900   3.831  -2.740
  484   2HB   ARG  77          1HB       ARG  77   1.041   2.282  -2.774
  485   1HG   ARG  77          2HG       ARG  77  -1.089   3.916  -2.858
  486   2HG   ARG  77          1HG       ARG  77   0.109   5.000  -3.562
  487   1HD   ARG  77          2HD       ARG  77   0.546   2.518  -4.818
  488   2HD   ARG  77          1HD       ARG  77  -1.213   2.673  -4.696
  489    HE   ARG  77           HE       ARG  77  -0.336   5.132  -5.610
  490   1HH1  ARG  77          1HH1      ARG  77   0.421   2.018  -6.855
  491   2HH1  ARG  77          2HH1      ARG  77  -0.350   2.298  -8.371
  492   1HH2  ARG  77          1HH2      ARG  77  -1.582   5.426  -7.519
  493   2HH2  ARG  77          2HH2      ARG  77  -1.461   4.226  -8.764
  494    H    VAL  78           H        VAL  78   0.153   2.451   1.256
  495    HA   VAL  78           HA       VAL  78   2.829   1.385   1.687
  496    HB   VAL  78           HB       VAL  78   1.399   2.205   3.549
  497   1HG1  VAL  78          1HG1      VAL  78  -0.285   0.232   4.212
  498   2HG1  VAL  78          2HG1      VAL  78  -0.458   0.163   2.468
  499   3HG1  VAL  78          3HG1      VAL  78  -0.754   1.635   3.319
  500   1HG2  VAL  78          1HG2      VAL  78   2.042  -0.758   3.760
  501   2HG2  VAL  78          2HG2      VAL  78   1.892   0.378   5.089
  502   3HG2  VAL  78          3HG2      VAL  78   3.195   0.541   3.953
  503    H    VAL  79           H        VAL  79   3.377  -0.863   1.792
  504    HA   VAL  79           HA       VAL  79   1.514  -2.616   0.223
  505    HB   VAL  79           HB       VAL  79   4.476  -3.100   0.548
  506   1HG1  VAL  79          1HG1      VAL  79   2.303  -4.030  -1.254
  507   2HG1  VAL  79          2HG1      VAL  79   3.480  -4.979  -0.375
  508   3HG1  VAL  79          3HG1      VAL  79   3.951  -4.089  -1.796
  509   1HG2  VAL  79          1HG2      VAL  79   3.113  -1.386  -1.529
  510   2HG2  VAL  79          2HG2      VAL  79   4.780  -1.960  -1.628
  511   3HG2  VAL  79          3HG2      VAL  79   4.308  -0.855  -0.345
  512    H    PHE  80           H        PHE  80   1.943  -4.998   0.755
  513    HA   PHE  80           HA       PHE  80   2.758  -5.579   3.479
  514   1HB   PHE  80          2HB       PHE  80   0.438  -6.306   4.150
  515   2HB   PHE  80          1HB       PHE  80   0.597  -4.579   3.906
  516    HD1  PHE  80           1HD      PHE  80  -1.262  -7.436   3.064
  517    HD2  PHE  80           2HD      PHE  80   0.041  -3.690   1.447
  518    HE1  PHE  80           1HE      PHE  80  -3.042  -7.523   1.360
  519    HE2  PHE  80           2HE      PHE  80  -1.715  -3.777  -0.228
  520    HZ   PHE  80           HZ       PHE  80  -3.298  -5.681  -0.283
  521    H    ASN  81           H        ASN  81   1.565  -8.014   3.867
  522    HA   ASN  81           HA       ASN  81   2.187  -9.480   1.326
  523   1HB   ASN  81          2HB       ASN  81   3.929  -9.857   2.894
  524   2HB   ASN  81          1HB       ASN  81   2.822 -10.257   4.194
  525   1HD2  ASN  81          1HD2      ASN  81   2.079 -12.429   4.257
  526   2HD2  ASN  81          2HD2      ASN  81   2.489 -13.590   3.054
  527    H    GLU  82           H        GLU  82   0.934 -10.745   4.382
  528    HA   GLU  82           HA       GLU  82  -1.723 -11.158   3.113
  529   1HB   GLU  82          2HB       GLU  82   0.105 -13.328   4.196
  530   2HB   GLU  82          1HB       GLU  82  -1.632 -13.565   3.968
  531   1HG   GLU  82          2HG       GLU  82  -1.336 -12.859   1.564
  532   2HG   GLU  82          1HG       GLU  82   0.413 -12.903   1.840
  533    H    ASN  83           H        ASN  83   0.105 -10.378   5.893
  534    HA   ASN  83           HA       ASN  83  -2.383 -10.580   7.519
  535   1HB   ASN  83          2HB       ASN  83  -0.212 -12.207   7.959
  536   2HB   ASN  83          1HB       ASN  83   0.211 -10.827   8.977
  537   1HD2  ASN  83          1HD2      ASN  83  -2.630 -12.914   8.250
  538   2HD2  ASN  83          2HD2      ASN  83  -3.187 -12.919   9.884
  539    H    ASN  84           H        ASN  84  -1.010  -8.398   5.939
  540    HA   ASN  84           HA       ASN  84  -0.621  -6.139   6.222
  541   1HB   ASN  84          2HB       ASN  84  -1.605  -6.400   9.083
  542   2HB   ASN  84          1HB       ASN  84  -1.766  -5.039   7.973
  543   1HD2  ASN  84          1HD2      ASN  84  -2.668  -6.478   5.650
  544   2HD2  ASN  84          2HD2      ASN  84  -4.232  -7.043   6.042
  545    H    GLN  85           H        GLN  85   1.338  -8.282   7.168
  546    HA   GLN  85           HA       GLN  85   2.782  -7.616   9.443
  547   1HB   GLN  85          2HB       GLN  85   4.437  -7.973   6.966
  548   2HB   GLN  85          1HB       GLN  85   4.565  -8.748   8.552
  549   1HG   GLN  85          2HG       GLN  85   2.260  -9.861   7.818
  550   2HG   GLN  85          1HG       GLN  85   2.865  -9.465   6.195
  551   1HE2  GLN  85          1HE2      GLN  85   5.729  -9.820   7.178
  552   2HE2  GLN  85          2HE2      GLN  85   5.889 -11.524   7.312
  553    H    LEU  86           H        LEU  86   2.495  -5.888   6.410
  554    HA   LEU  86           HA       LEU  86   2.762  -3.650   6.064
  555   1HB   LEU  86          2HB       LEU  86   2.889  -3.595   8.766
  556   2HB   LEU  86          1HB       LEU  86   4.579  -3.210   8.429
  557    HG   LEU  86           HG       LEU  86   3.477  -1.117   8.536
  558   1HD1  LEU  86          1HD1      LEU  86   3.479  -1.774   5.569
  559   2HD1  LEU  86          2HD1      LEU  86   4.945  -1.478   6.519
  560   3HD1  LEU  86          3HD1      LEU  86   3.742  -0.221   6.344
  561   1HD2  LEU  86          1HD2      LEU  86   1.174  -2.044   8.415
  562   2HD2  LEU  86          2HD2      LEU  86   1.376  -2.260   6.680
  563   3HD2  LEU  86          3HD2      LEU  86   1.390  -0.643   7.370
  564    H    ALA  87           H        ALA  87   4.041  -3.713   4.280
  565    HA   ALA  87           HA       ALA  87   6.852  -4.571   4.398
  566   1HB   ALA  87          1HB       ALA  87   6.861  -4.249   2.053
  567   2HB   ALA  87          2HB       ALA  87   5.550  -3.085   2.117
  568   3HB   ALA  87          3HB       ALA  87   5.209  -4.784   2.389
  569    H    GLY  88           H        GLY  88   4.974  -1.595   4.272
  570   1HA   GLY  88          2HA       GLY  88   6.334   0.211   5.612
  571   2HA   GLY  88          1HA       GLY  88   7.457   0.052   4.261
  572    H    VAL  89           H        VAL  89   5.705   2.351   5.103
  573    HA   VAL  89           HA       VAL  89   3.699   2.548   2.985
  574    HB   VAL  89           HB       VAL  89   4.763   4.668   4.845
  575   1HG1  VAL  89          1HG1      VAL  89   2.326   4.566   3.052
  576   2HG1  VAL  89          2HG1      VAL  89   3.695   5.669   2.906
  577   3HG1  VAL  89          3HG1      VAL  89   2.606   5.801   4.279
  578   1HG2  VAL  89          1HG2      VAL  89   3.715   2.763   6.035
  579   2HG2  VAL  89          2HG2      VAL  89   2.291   2.934   5.026
  580   3HG2  VAL  89          3HG2      VAL  89   2.723   4.210   6.144
  581    H    ILE  90           H        ILE  90   4.252   3.047   0.923
  582    HA   ILE  90           HA       ILE  90   6.798   4.579   0.464
  583    HB   ILE  90           HB       ILE  90   6.375   3.763  -1.971
  584   1HG1  ILE  90          2HG1      ILE  90   4.575   1.923  -0.367
  585   2HG1  ILE  90          1HG1      ILE  90   4.174   2.843  -1.834
  586   1HG2  ILE  90          1HG2      ILE  90   7.091   1.602   0.001
  587   2HG2  ILE  90          2HG2      ILE  90   8.131   2.994  -0.274
  588   3HG2  ILE  90          3HG2      ILE  90   7.774   1.908  -1.598
  589   1HD1  ILE  90          1HD1      ILE  90   5.721   0.322  -1.478
  590   2HD1  ILE  90          2HD1      ILE  90   6.086   1.319  -2.856
  591   3HD1  ILE  90          3HD1      ILE  90   4.464   0.700  -2.640
  592    H    THR  91           H        THR  91   6.454   5.949  -1.769
  593    HA   THR  91           HA       THR  91   3.781   7.222  -1.550
  594    HB   THR  91           HB       THR  91   5.724   8.345  -0.218
  595    HG1  THR  91           1HG      THR  91   4.796  10.474  -1.137
  596   1HG2  THR  91          1HG2      THR  91   6.282   9.542  -2.914
  597   2HG2  THR  91          2HG2      THR  91   7.264   8.270  -2.210
  598   3HG2  THR  91          3HG2      THR  91   7.126   9.824  -1.404
  599    H    HIS  92           H        HIS  92   2.902   7.853  -3.435
  600    HA   HIS  92           HA       HIS  92   4.351   7.305  -5.930
  601   1HB   HIS  92          2HB       HIS  92   1.609   7.449  -5.058
  602   2HB   HIS  92          1HB       HIS  92   1.800   8.431  -6.515
  603    HD1  HIS  92           1HD      HIS  92   2.715   4.958  -5.241
  604    HD2  HIS  92           2HD      HIS  92   1.605   6.901  -8.750
  605    HE1  HIS  92           1HE      HIS  92   2.398   3.170  -6.994
  606    HE2  HIS  92           2HE      HIS  92   2.195   4.403  -9.205
  607    H    THR  93           H        THR  93   5.794   9.251  -5.000
  608    HA   THR  93           HA       THR  93   5.372  11.492  -6.742
  609    HB   THR  93           HB       THR  93   3.590  11.877  -4.904
  610    HG1  THR  93           1HG      THR  93   5.600  13.880  -5.201
  611   1HG2  THR  93          1HG2      THR  93   5.373  11.149  -3.130
  612   2HG2  THR  93          2HG2      THR  93   4.233  12.414  -2.764
  613   3HG2  THR  93          3HG2      THR  93   5.873  12.829  -3.222
  614    H    GLY  94           H        GLY  94   7.512   9.627  -5.582
  615   1HA   GLY  94          2HA       GLY  94   9.419  11.750  -4.642
  616   2HA   GLY  94          1HA       GLY  94   9.494  10.064  -4.168
  617    H    ALA  95           H        ALA  95   8.564  10.328  -7.413
  618    HA   ALA  95           HA       ALA  95  11.317  10.456  -8.471
  619   1HB   ALA  95          1HB       ALA  95  11.644   8.265  -8.656
  620   2HB   ALA  95          2HB       ALA  95  10.149   8.057  -9.530
  621   3HB   ALA  95          3HB       ALA  95  10.172   7.961  -7.761
  622    H    SER  96           H        SER  96  10.994   9.654 -10.993
  623    HA   SER  96           HA       SER  96   9.699  11.662 -12.341
  624   1HB   SER  96          2HB       SER  96  11.093   9.611 -13.221
  625   2HB   SER  96          1HB       SER  96   9.511   8.873 -13.495
  626    HG   SER  96           HG       SER  96   9.016  10.461 -14.926
  627    H    GLY  97           H        GLY  97   7.605  12.345 -12.137
  628   1HA   GLY  97          2HA       GLY  97   5.264  12.238 -12.235
  629   2HA   GLY  97          1HA       GLY  97   5.389  10.533 -12.673
  630    H    ASN  98           H        ASN  98   5.763   8.981 -10.889
  631    HA   ASN  98           HA       ASN  98   5.088  10.052  -8.185
  632   1HB   ASN  98          2HB       ASN  98   3.728   7.619  -8.362
  633   2HB   ASN  98          1HB       ASN  98   2.997   9.202  -8.327
  634   1HD2  ASN  98          1HD2      ASN  98   2.876  10.312 -10.555
  635   2HD2  ASN  98          2HD2      ASN  98   2.512   9.279 -11.886
  636    H    ASN  99           H        ASN  99   5.335   6.715  -9.471
  637    HA   ASN  99           HA       ASN  99   6.742   4.990  -8.816
  638   1HB   ASN  99          2HB       ASN  99   8.474   7.420  -8.615
  639   2HB   ASN  99          1HB       ASN  99   9.114   5.919  -7.971
  640   1HD2  ASN  99          1HD2      ASN  99   6.948   6.214 -10.805
  641   2HD2  ASN  99          2HD2      ASN  99   8.122   5.625 -11.897
  642    H    PHE 100           H        PHE 100   7.508   3.923  -6.798
  643    HA   PHE 100           HA       PHE 100   6.461   5.386  -4.401
  644   1HB   PHE 100          2HB       PHE 100   6.612   2.666  -3.778
  645   2HB   PHE 100          1HB       PHE 100   5.157   3.631  -4.007
  646    HD1  PHE 100           1HD      PHE 100   4.659   4.108  -6.611
  647    HD2  PHE 100           2HD      PHE 100   6.808   0.767  -5.046
  648    HE1  PHE 100           1HE      PHE 100   4.061   2.791  -8.641
  649    HE2  PHE 100           2HE      PHE 100   6.205  -0.565  -7.062
  650    HZ   PHE 100           HZ       PHE 100   4.859   0.458  -8.863
  651    H    VAL 101           H        VAL 101   7.990   6.017  -3.046
  652    HA   VAL 101           HA       VAL 101  10.365   4.258  -2.642
  653    HB   VAL 101           HB       VAL 101  11.404   6.669  -2.001
  654   1HG1  VAL 101          1HG1      VAL 101  11.167   5.457  -4.774
  655   2HG1  VAL 101          2HG1      VAL 101  12.432   5.183  -3.576
  656   3HG1  VAL 101          3HG1      VAL 101  12.293   6.751  -4.351
  657   1HG2  VAL 101          1HG2      VAL 101   9.466   7.296  -4.262
  658   2HG2  VAL 101          2HG2      VAL 101  10.616   8.383  -3.491
  659   3HG2  VAL 101          3HG2      VAL 101   9.234   7.794  -2.584
  660    H    GLU 102           H        GLU 102  10.886   3.887  -0.484
  661    HA   GLU 102           HA       GLU 102   8.966   3.957   1.469
  662   1HB   GLU 102          2HB       GLU 102  10.667   3.665   3.117
  663   2HB   GLU 102          1HB       GLU 102  11.308   2.963   1.631
  664   1HG   GLU 102          2HG       GLU 102  13.092   4.249   1.863
  665   2HG   GLU 102          1HG       GLU 102  12.126   5.656   1.480
  666    H    CYS 103           H        CYS 103   8.135   5.408   2.943
  667    HA   CYS 103           HA       CYS 103   8.124   8.157   2.322
  668   1HB   CYS 103          2HB       CYS 103   6.687   6.575   4.042
  669   2HB   CYS 103          1HB       CYS 103   7.679   7.458   5.209
  670    H    THR 104           H        THR 104   9.939   9.416   2.334
  671    HA   THR 104           HA       THR 104  11.872   9.062   4.606
  672    HB   THR 104           HB       THR 104  13.246  10.601   2.836
  673    HG1  THR 104           1HG      THR 104  11.697   8.946   1.111
  674   1HG2  THR 104          1HG2      THR 104  12.952   7.648   2.352
  675   2HG2  THR 104          2HG2      THR 104  13.759   8.271   3.794
  676   3HG2  THR 104          3HG2      THR 104  14.389   8.647   2.191
  Start of MODEL   18
    1   1H    ALA   1          1HT       ALA   1  -1.407   8.456  16.360
    2   2H    ALA   1          2HT       ALA   1  -1.393  10.176  16.355
    3   3H    ALA   1          3HT       ALA   1  -0.988   9.322  17.783
    4    HA   ALA   1           HA       ALA   1   0.970  10.195  16.732
    5   1HB   ALA   1          1HB       ALA   1   1.039   8.038  17.964
    6   2HB   ALA   1          2HB       ALA   1   2.229   8.103  16.669
    7   3HB   ALA   1          3HB       ALA   1   0.740   7.181  16.453
    8    H    CYS   2           H        CYS   2   2.567   9.143  14.845
    9    HA   CYS   2           HA       CYS   2   1.473   8.310  12.415
   10   1HB   CYS   2          2HB       CYS   2   1.498  10.506  11.167
   11   2HB   CYS   2          1HB       CYS   2   0.155  10.354  12.288
   12    H    ASP   3           H        ASP   3   3.418   7.256  12.100
   13    HA   ASP   3           HA       ASP   3   5.895   8.930  12.062
   14   1HB   ASP   3          2HB       ASP   3   5.838   6.796  13.417
   15   2HB   ASP   3          1HB       ASP   3   5.670   5.898  11.903
   16    H    TYR   4           H        TYR   4   3.543   7.644   9.954
   17    HA   TYR   4           HA       TYR   4   5.504   7.576   7.700
   18   1HB   TYR   4          2HB       TYR   4   2.699   6.439   8.015
   19   2HB   TYR   4          1HB       TYR   4   3.570   6.461   6.481
   20    HD1  TYR   4           1HD      TYR   4   6.328   5.884   7.227
   21    HD2  TYR   4           2HD      TYR   4   2.664   4.177   8.687
   22    HE1  TYR   4           1HE      TYR   4   7.545   3.837   7.866
   23    HE2  TYR   4           2HE      TYR   4   3.887   2.112   9.322
   24    HH   TYR   4           HH       TYR   4   6.553   1.115   8.228
   25    H    THR   5           H        THR   5   5.621   9.899   7.670
   26    HA   THR   5           HA       THR   5   3.132  11.332   6.974
   27    HB   THR   5           HB       THR   5   4.591  13.361   7.030
   28    HG1  THR   5           1HG      THR   5   6.723  11.603   7.703
   29   1HG2  THR   5          1HG2      THR   5   5.624  12.341   9.463
   30   2HG2  THR   5          2HG2      THR   5   4.060  11.566   9.224
   31   3HG2  THR   5          3HG2      THR   5   4.186  13.322   9.222
   32    H    CYS   6           H        CYS   6   2.567  11.848   4.901
   33    HA   CYS   6           HA       CYS   6   4.665  11.815   2.783
   34   1HB   CYS   6          2HB       CYS   6   2.064  10.387   2.388
   35   2HB   CYS   6          1HB       CYS   6   3.541  10.233   1.436
   36    H    GLY   7           H        GLY   7   3.934  12.931   0.820
   37   1HA   GLY   7          2HA       GLY   7   3.002  14.893  -0.094
   38   2HA   GLY   7          1HA       GLY   7   1.473  14.122   0.338
   39    H    SER   8           H        SER   8   3.926  15.111   2.698
   40    HA   SER   8           HA       SER   8   3.869  16.708   4.361
   41   1HB   SER   8          2HB       SER   8   2.383  17.958   2.145
   42   2HB   SER   8          1HB       SER   8   1.833  18.526   3.710
   43    HG   SER   8           HG       SER   8   3.603  19.706   2.864
   44    H    ASN   9           H        ASN   9   2.520  14.383   4.903
   45    HA   ASN   9           HA       ASN   9   0.202  15.392   6.503
   46   1HB   ASN   9          2HB       ASN   9   0.260  12.907   4.747
   47   2HB   ASN   9          1HB       ASN   9  -0.991  13.232   5.947
   48   1HD2  ASN   9          1HD2      ASN   9  -1.489  15.937   5.625
   49   2HD2  ASN   9          2HD2      ASN   9  -2.033  16.216   4.017
   50    H    CYS  10           H        CYS  10  -0.471  13.632   8.130
   51    HA   CYS  10           HA       CYS  10   1.970  12.221   9.138
   52   1HB   CYS  10          2HB       CYS  10   0.858  14.457  10.332
   53   2HB   CYS  10          1HB       CYS  10   0.028  13.168  11.199
   54    H    TYR  11           H        TYR  11   1.053  10.366   8.043
   55    HA   TYR  11           HA       TYR  11  -1.590   9.415   8.856
   56   1HB   TYR  11          2HB       TYR  11   0.536   8.577   6.959
   57   2HB   TYR  11          1HB       TYR  11  -0.366   7.239   7.664
   58    HD1  TYR  11           1HD      TYR  11  -0.632  10.357   5.694
   59    HD2  TYR  11           2HD      TYR  11  -2.677   6.878   7.166
   60    HE1  TYR  11           1HE      TYR  11  -2.529  10.827   4.168
   61    HE2  TYR  11           2HE      TYR  11  -4.570   7.340   5.635
   62    HH   TYR  11           HH       TYR  11  -4.611   8.894   3.134
   63    H    SER  12           H        SER  12  -2.060   7.882  10.384
   64    HA   SER  12           HA       SER  12  -0.010   7.330  12.386
   65   1HB   SER  12          2HB       SER  12  -2.625   7.723  12.636
   66   2HB   SER  12          1HB       SER  12  -2.671   5.973  12.492
   67    HG   SER  12           HG       SER  12  -1.443   5.783  14.300
   68    H    SER  13           H        SER  13   1.305   5.576  12.379
   69    HA   SER  13           HA       SER  13   1.353   3.648  10.342
   70   1HB   SER  13          2HB       SER  13   3.286   3.431  11.543
   71   2HB   SER  13          1HB       SER  13   2.502   3.844  13.073
   72    HG   SER  13           HG       SER  13   3.197   1.603  12.866
   73    H    SER  14           H        SER  14  -0.765   3.878  13.102
   74    HA   SER  14           HA       SER  14  -1.609   1.084  12.988
   75   1HB   SER  14          2HB       SER  14  -1.640   2.670  15.040
   76   2HB   SER  14          1HB       SER  14  -3.127   3.327  14.347
   77    HG   SER  14           HG       SER  14  -3.372   1.502  15.846
   78    H    ASP  15           H        ASP  15  -2.778   4.218  11.801
   79    HA   ASP  15           HA       ASP  15  -5.301   3.233  10.856
   80   1HB   ASP  15          2HB       ASP  15  -5.038   5.617  11.166
   81   2HB   ASP  15          1HB       ASP  15  -3.653   5.652  10.066
   82    H    VAL  16           H        VAL  16  -2.049   3.465   9.557
   83    HA   VAL  16           HA       VAL  16  -2.626   2.914   6.846
   84    HB   VAL  16           HB       VAL  16  -0.192   1.843   8.298
   85   1HG1  VAL  16          1HG1      VAL  16  -0.673   2.886   5.483
   86   2HG1  VAL  16          2HG1      VAL  16  -0.436   1.203   5.946
   87   3HG1  VAL  16          3HG1      VAL  16   0.885   2.357   6.121
   88   1HG2  VAL  16          1HG2      VAL  16   0.720   4.196   7.535
   89   2HG2  VAL  16          2HG2      VAL  16  -0.139   4.025   9.037
   90   3HG2  VAL  16          3HG2      VAL  16  -0.974   4.675   7.643
   91    H    SER  17           H        SER  17  -2.215   0.797   9.655
   92    HA   SER  17           HA       SER  17  -2.299  -1.688   8.256
   93   1HB   SER  17          2HB       SER  17  -1.817  -1.065  10.802
   94   2HB   SER  17          1HB       SER  17  -3.521  -1.489  10.986
   95    HG   SER  17           HG       SER  17  -3.090  -3.526  10.299
   96    H    THR  18           H        THR  18  -4.839   0.517   9.347
   97    HA   THR  18           HA       THR  18  -7.022  -1.323   8.992
   98    HB   THR  18           HB       THR  18  -7.827   1.420   8.398
   99    HG1  THR  18           1HG      THR  18  -6.267   1.183  10.775
  100   1HG2  THR  18          1HG2      THR  18  -9.214  -0.292   9.499
  101   2HG2  THR  18          2HG2      THR  18  -9.056   1.157  10.489
  102   3HG2  THR  18          3HG2      THR  18  -8.119  -0.283  10.884
  103    H    ALA  19           H        ALA  19  -5.832   1.340   6.930
  104    HA   ALA  19           HA       ALA  19  -7.409   0.596   4.647
  105   1HB   ALA  19          1HB       ALA  19  -4.789   1.821   4.075
  106   2HB   ALA  19          2HB       ALA  19  -5.774   2.694   5.267
  107   3HB   ALA  19          3HB       ALA  19  -6.413   2.361   3.669
  108    H    GLN  20           H        GLN  20  -4.588  -0.761   6.103
  109    HA   GLN  20           HA       GLN  20  -3.591  -2.023   3.724
  110   1HB   GLN  20          2HB       GLN  20  -2.666  -1.669   6.377
  111   2HB   GLN  20          1HB       GLN  20  -2.790  -3.400   6.187
  112   1HG   GLN  20          2HG       GLN  20  -1.161  -1.443   4.635
  113   2HG   GLN  20          1HG       GLN  20  -0.625  -2.896   5.460
  114   1HE2  GLN  20          1HE2      GLN  20  -1.461  -1.707   2.399
  115   2HE2  GLN  20          2HE2      GLN  20  -1.776  -3.188   1.641
  116    H    ALA  21           H        ALA  21  -5.752  -2.899   6.372
  117    HA   ALA  21           HA       ALA  21  -6.000  -5.685   5.573
  118   1HB   ALA  21          1HB       ALA  21  -7.919  -5.699   7.133
  119   2HB   ALA  21          2HB       ALA  21  -7.816  -3.942   7.274
  120   3HB   ALA  21          3HB       ALA  21  -6.500  -4.954   7.868
  121    H    ALA  22           H        ALA  22  -7.023  -2.785   4.178
  122    HA   ALA  22           HA       ALA  22  -9.585  -3.744   3.156
  123   1HB   ALA  22          1HB       ALA  22  -9.341  -1.377   3.596
  124   2HB   ALA  22          2HB       ALA  22  -9.479  -1.609   1.860
  125   3HB   ALA  22          3HB       ALA  22  -7.915  -1.291   2.570
  126    H    GLY  23           H        GLY  23  -6.392  -2.877   1.734
  127   1HA   GLY  23          2HA       GLY  23  -7.004  -3.991  -0.865
  128   2HA   GLY  23          1HA       GLY  23  -5.402  -3.618  -0.249
  129    H    TYR  24           H        TYR  24  -5.773  -5.296   2.150
  130    HA   TYR  24           HA       TYR  24  -4.786  -7.768   0.977
  131   1HB   TYR  24          2HB       TYR  24  -3.761  -7.189   3.032
  132   2HB   TYR  24          1HB       TYR  24  -5.310  -6.790   3.789
  133    HD1  TYR  24           1HD      TYR  24  -4.651  -9.826   1.731
  134    HD2  TYR  24           2HD      TYR  24  -5.144  -8.227   5.691
  135    HE1  TYR  24           1HE      TYR  24  -4.836 -12.115   2.638
  136    HE2  TYR  24           2HE      TYR  24  -5.292 -10.527   6.600
  137    HH   TYR  24           HH       TYR  24  -4.284 -13.044   5.467
  138    H    GLN  25           H        GLN  25  -7.570  -7.114   3.162
  139    HA   GLN  25           HA       GLN  25  -8.758  -9.670   2.810
  140   1HB   GLN  25          2HB       GLN  25  -9.757  -6.969   3.651
  141   2HB   GLN  25          1HB       GLN  25 -10.959  -8.187   3.266
  142   1HG   GLN  25          2HG       GLN  25 -10.406  -9.562   4.993
  143   2HG   GLN  25          1HG       GLN  25  -8.719  -9.019   5.061
  144   1HE2  GLN  25          1HE2      GLN  25  -8.948  -8.625   7.380
  145   2HE2  GLN  25          2HE2      GLN  25  -9.811  -7.232   7.928
  146    H    LEU  26           H        LEU  26  -8.873  -6.767   0.804
  147    HA   LEU  26           HA       LEU  26 -11.017  -7.749  -0.888
  148   1HB   LEU  26          2HB       LEU  26 -10.158  -5.303  -0.591
  149   2HB   LEU  26          1HB       LEU  26  -8.901  -5.743  -1.750
  150    HG   LEU  26           HG       LEU  26 -10.901  -6.609  -3.220
  151   1HD1  LEU  26          1HD1      LEU  26 -12.690  -6.515  -1.653
  152   2HD1  LEU  26          2HD1      LEU  26 -12.964  -5.152  -2.737
  153   3HD1  LEU  26          3HD1      LEU  26 -12.272  -4.880  -1.144
  154   1HD2  LEU  26          1HD2      LEU  26  -9.936  -4.824  -4.214
  155   2HD2  LEU  26          2HD2      LEU  26  -9.899  -3.850  -2.753
  156   3HD2  LEU  26          3HD2      LEU  26 -11.379  -3.986  -3.682
  157    H    HIS  27           H        HIS  27  -7.531  -8.085  -0.770
  158    HA   HIS  27           HA       HIS  27  -7.302  -9.193  -3.456
  159   1HB   HIS  27          2HB       HIS  27  -5.363  -8.081  -2.478
  160   2HB   HIS  27          1HB       HIS  27  -5.399  -9.159  -1.084
  161    HD1  HIS  27           1HD      HIS  27  -5.737 -10.128  -4.743
  162    HD2  HIS  27           2HD      HIS  27  -3.149 -10.689  -1.527
  163    HE1  HIS  27           1HE      HIS  27  -4.008 -11.805  -5.504
  164    HE2  HIS  27           2HE      HIS  27  -2.673 -12.387  -3.441
  165    H    GLU  28           H        GLU  28  -8.068 -10.390  -0.274
  166    HA   GLU  28           HA       GLU  28  -7.444 -13.186  -1.000
  167   1HB   GLU  28          2HB       GLU  28  -7.029 -12.419   1.296
  168   2HB   GLU  28          1HB       GLU  28  -8.731 -11.980   1.484
  169   1HG   GLU  28          2HG       GLU  28  -8.069 -14.788   0.618
  170   2HG   GLU  28          1HG       GLU  28  -7.807 -14.331   2.306
  171    H    ASP  29           H        ASP  29 -10.235 -11.026  -0.702
  172    HA   ASP  29           HA       ASP  29 -12.148 -13.221  -1.005
  173   1HB   ASP  29          2HB       ASP  29 -12.421 -10.795   0.104
  174   2HB   ASP  29          1HB       ASP  29 -12.924 -10.354  -1.532
  175    H    GLY  30           H        GLY  30 -10.176 -11.379  -3.127
  176   1HA   GLY  30          2HA       GLY  30  -9.972 -11.612  -5.444
  177   2HA   GLY  30          1HA       GLY  30 -11.380 -12.674  -5.452
  178    H    GLU  31           H        GLU  31 -11.242  -9.391  -4.082
  179    HA   GLU  31           HA       GLU  31 -13.351  -8.650  -6.026
  180   1HB   GLU  31          2HB       GLU  31 -13.155  -8.322  -3.207
  181   2HB   GLU  31          1HB       GLU  31 -12.991  -6.732  -3.891
  182   1HG   GLU  31          2HG       GLU  31 -15.262  -8.630  -4.251
  183   2HG   GLU  31          1HG       GLU  31 -15.294  -6.990  -3.585
  184    H    THR  32           H        THR  32 -13.087  -5.806  -5.614
  185    HA   THR  32           HA       THR  32 -10.402  -4.960  -6.162
  186    HB   THR  32           HB       THR  32 -11.182  -4.164  -8.593
  187    HG1  THR  32           1HG      THR  32 -12.713  -5.424  -9.480
  188   1HG2  THR  32          1HG2      THR  32  -9.337  -5.869  -7.872
  189   2HG2  THR  32          2HG2      THR  32 -10.002  -5.933  -9.500
  190   3HG2  THR  32          3HG2      THR  32 -10.542  -7.074  -8.329
  191    H    VAL  33           H        VAL  33 -10.823  -2.563  -7.411
  192    HA   VAL  33           HA       VAL  33 -13.035  -1.311  -5.809
  193    HB   VAL  33           HB       VAL  33 -11.573   0.630  -5.499
  194   1HG1  VAL  33          1HG1      VAL  33  -9.847  -0.554  -4.035
  195   2HG1  VAL  33          2HG1      VAL  33 -10.511  -2.066  -4.591
  196   3HG1  VAL  33          3HG1      VAL  33 -11.524  -0.939  -3.690
  197   1HG2  VAL  33          1HG2      VAL  33 -10.175   0.400  -7.501
  198   2HG2  VAL  33          2HG2      VAL  33  -9.477  -1.087  -6.864
  199   3HG2  VAL  33          3HG2      VAL  33  -9.173   0.441  -6.063
  200    H    GLY  34           H        GLY  34 -14.021   0.530  -6.741
  201   1HA   GLY  34          2HA       GLY  34 -15.016   1.621  -8.557
  202   2HA   GLY  34          1HA       GLY  34 -13.353   1.872  -9.088
  203    H    SER  35           H        SER  35 -12.445   0.392 -10.577
  204    HA   SER  35           HA       SER  35 -13.794  -1.950 -11.555
  205   1HB   SER  35          2HB       SER  35 -15.052   0.341 -12.461
  206   2HB   SER  35          1HB       SER  35 -13.908   0.042 -13.760
  207    HG   SER  35           HG       SER  35 -15.935  -1.069 -13.990
  208    H    ASN  36           H        ASN  36 -11.087  -0.839 -10.881
  209    HA   ASN  36           HA       ASN  36  -9.717  -1.760 -13.354
  210   1HB   ASN  36          2HB       ASN  36  -9.545   0.909 -12.042
  211   2HB   ASN  36          1HB       ASN  36  -7.982   0.173 -12.394
  212   1HD2  ASN  36          1HD2      ASN  36  -9.840   2.371 -13.713
  213   2HD2  ASN  36          2HD2      ASN  36  -9.672   1.971 -15.385
  214    H    SER  37           H        SER  37 -10.379  -2.861 -10.597
  215    HA   SER  37           HA       SER  37  -9.269  -3.972  -8.906
  216   1HB   SER  37          2HB       SER  37  -7.323  -5.335  -9.683
  217   2HB   SER  37          1HB       SER  37  -8.631  -5.360 -10.859
  218    HG   SER  37           HG       SER  37  -6.679  -4.897 -11.892
  219    H    TYR  38           H        TYR  38  -6.615  -4.284  -8.226
  220    HA   TYR  38           HA       TYR  38  -4.946  -2.136  -8.319
  221   1HB   TYR  38          2HB       TYR  38  -7.300  -1.293  -6.943
  222   2HB   TYR  38          1HB       TYR  38  -6.067  -1.503  -5.718
  223    HD1  TYR  38           1HD      TYR  38  -5.607  -0.537  -9.307
  224    HD2  TYR  38           2HD      TYR  38  -5.426   0.647  -5.227
  225    HE1  TYR  38           1HE      TYR  38  -4.507   1.551  -9.984
  226    HE2  TYR  38           2HE      TYR  38  -4.299   2.784  -5.878
  227    HH   TYR  38           HH       TYR  38  -4.383   4.111  -8.645
  228    HA   PRO  39           HA       PRO  39  -3.948  -4.530  -4.340
  229   1HB   PRO  39          2HB       PRO  39  -5.615  -6.586  -3.674
  230   2HB   PRO  39          1HB       PRO  39  -5.774  -4.946  -3.069
  231   1HG   PRO  39          2HG       PRO  39  -7.423  -6.362  -5.117
  232   2HG   PRO  39          1HG       PRO  39  -7.871  -5.039  -4.030
  233   1HD   PRO  39          2HD       PRO  39  -7.238  -4.827  -6.747
  234   2HD   PRO  39          1HD       PRO  39  -7.386  -3.470  -5.625
  235    H    HIS  40           H        HIS  40  -2.244  -5.356  -5.548
  236    HA   HIS  40           HA       HIS  40  -2.516  -8.215  -6.336
  237   1HB   HIS  40          2HB       HIS  40  -0.738  -6.921  -8.235
  238   2HB   HIS  40          1HB       HIS  40  -2.207  -7.857  -8.535
  239    HD1  HIS  40           1HD      HIS  40  -4.411  -6.594  -8.795
  240    HD2  HIS  40           2HD      HIS  40  -1.111  -4.109  -8.312
  241    HE1  HIS  40           1HE      HIS  40  -5.116  -4.308  -9.538
  242    HE2  HIS  40           2HE      HIS  40  -3.096  -2.834  -9.399
  243    H    LYS  41           H        LYS  41   0.032  -8.715  -7.193
  244    HA   LYS  41           HA       LYS  41   1.463  -8.565  -4.694
  245   1HB   LYS  41          2HB       LYS  41   2.893 -10.135  -5.567
  246   2HB   LYS  41          1HB       LYS  41   1.502 -10.399  -6.624
  247   1HG   LYS  41          2HG       LYS  41   2.472  -8.963  -8.334
  248   2HG   LYS  41          1HG       LYS  41   3.851  -8.581  -7.301
  249   1HD   LYS  41          2HD       LYS  41   3.207 -11.450  -7.965
  250   2HD   LYS  41          1HD       LYS  41   4.114 -10.432  -9.090
  251   1HE   LYS  41          2HE       LYS  41   5.734  -9.903  -7.280
  252   2HE   LYS  41          1HE       LYS  41   4.857 -11.011  -6.213
  253   1HZ   LYS  41          1HZ       LYS  41   5.314 -12.814  -7.766
  254   2HZ   LYS  41          2HZ       LYS  41   6.753 -12.095  -7.251
  255   3HZ   LYS  41          3HZ       LYS  41   6.150 -11.754  -8.791
  256    H    TYR  42           H        TYR  42   3.743  -7.781  -4.566
  257    HA   TYR  42           HA       TYR  42   4.394  -5.544  -6.406
  258   1HB   TYR  42          2HB       TYR  42   3.178  -4.481  -4.560
  259   2HB   TYR  42          1HB       TYR  42   4.200  -5.294  -3.375
  260    HD1  TYR  42           1HD      TYR  42   6.211  -4.302  -2.680
  261    HD2  TYR  42           2HD      TYR  42   4.344  -2.981  -6.311
  262    HE1  TYR  42           1HE      TYR  42   7.858  -2.462  -2.847
  263    HE2  TYR  42           2HE      TYR  42   6.000  -1.173  -6.477
  264    HH   TYR  42           HH       TYR  42   7.887  -0.078  -4.019
  265    H    ASN  43           H        ASN  43   6.178  -6.769  -7.143
  266    HA   ASN  43           HA       ASN  43   8.026  -7.947  -5.193
  267   1HB   ASN  43          2HB       ASN  43   7.432  -8.429  -7.881
  268   2HB   ASN  43          1HB       ASN  43   9.031  -7.697  -7.971
  269   1HD2  ASN  43          1HD2      ASN  43   7.523  -9.893  -5.538
  270   2HD2  ASN  43          2HD2      ASN  43   8.792 -11.051  -5.652
  271    H    ASN  44           H        ASN  44   7.762  -5.101  -4.858
  272    HA   ASN  44           HA       ASN  44   9.029  -3.135  -4.863
  273   1HB   ASN  44          2HB       ASN  44  11.602  -4.271  -4.343
  274   2HB   ASN  44          1HB       ASN  44  10.456  -3.599  -3.196
  275   1HD2  ASN  44          1HD2      ASN  44  11.456  -6.595  -4.806
  276   2HD2  ASN  44          2HD2      ASN  44  10.738  -7.630  -3.624
  277    H    TYR  45           H        TYR  45  11.748  -2.708  -5.476
  278    HA   TYR  45           HA       TYR  45  12.713  -3.688  -7.844
  279   1HB   TYR  45          2HB       TYR  45  10.256  -2.203  -8.338
  280   2HB   TYR  45          1HB       TYR  45  11.588  -1.283  -8.995
  281    HD1  TYR  45           1HD      TYR  45   9.259  -3.232 -10.203
  282    HD2  TYR  45           2HD      TYR  45  13.539  -3.298  -9.794
  283    HE1  TYR  45           1HE      TYR  45   9.427  -4.721 -12.179
  284    HE2  TYR  45           2HE      TYR  45  13.706  -4.788 -11.757
  285    HH   TYR  45           HH       TYR  45  11.757  -6.593 -12.903
  286    H    GLU  46           H        GLU  46  11.862  -0.326  -6.978
  287    HA   GLU  46           HA       GLU  46  14.153   0.987  -7.595
  288   1HB   GLU  46          2HB       GLU  46  11.940   1.504  -6.012
  289   2HB   GLU  46          1HB       GLU  46  13.238   1.592  -4.832
  290   1HG   GLU  46          2HG       GLU  46  13.813   2.953  -7.409
  291   2HG   GLU  46          1HG       GLU  46  12.460   3.610  -6.488
  292    H    GLY  47           H        GLY  47  13.684  -0.736  -4.490
  293   1HA   GLY  47          2HA       GLY  47  15.851  -2.176  -4.064
  294   2HA   GLY  47          1HA       GLY  47  16.642  -0.600  -4.018
  295    H    PHE  48           H        PHE  48  13.538  -1.827  -2.688
  296    HA   PHE  48           HA       PHE  48  14.278  -0.507  -0.110
  297   1HB   PHE  48          2HB       PHE  48  11.637  -1.641  -1.012
  298   2HB   PHE  48          1HB       PHE  48  11.906  -0.632   0.425
  299    HD1  PHE  48           1HD      PHE  48  10.366  -0.426  -2.536
  300    HD2  PHE  48           2HD      PHE  48  13.645   1.471  -0.504
  301    HE1  PHE  48           1HE      PHE  48  10.069   1.592  -3.932
  302    HE2  PHE  48           2HE      PHE  48  13.346   3.484  -1.918
  303    HZ   PHE  48           HZ       PHE  48  11.573   3.551  -3.621
  304    H    ASP  49           H        ASP  49  15.227  -1.838   1.332
  305    HA   ASP  49           HA       ASP  49  14.799  -4.758   1.154
  306   1HB   ASP  49          2HB       ASP  49  16.716  -2.919   2.511
  307   2HB   ASP  49          1HB       ASP  49  16.312  -4.370   3.432
  308    H    PHE  50           H        PHE  50  12.591  -4.940   1.725
  309    HA   PHE  50           HA       PHE  50  11.627  -3.817   4.254
  310   1HB   PHE  50          2HB       PHE  50  10.380  -5.921   2.452
  311   2HB   PHE  50          1HB       PHE  50   9.548  -4.996   3.720
  312    HD1  PHE  50           1HD      PHE  50   9.852  -2.361   3.526
  313    HD2  PHE  50           2HD      PHE  50  10.214  -5.146   0.276
  314    HE1  PHE  50           1HE      PHE  50   9.364  -0.541   1.915
  315    HE2  PHE  50           2HE      PHE  50   9.739  -3.320  -1.331
  316    HZ   PHE  50           HZ       PHE  50   9.317  -1.019  -0.518
  317    H    SER  51           H        SER  51  10.246  -5.763   5.526
  318    HA   SER  51           HA       SER  51  11.948  -8.144   5.900
  319   1HB   SER  51          2HB       SER  51  12.288  -7.708   8.309
  320   2HB   SER  51          1HB       SER  51  13.014  -6.417   7.344
  321    HG   SER  51           HG       SER  51  10.700  -6.360   8.932
  322    H    VAL  52           H        VAL  52   9.293  -7.899   4.968
  323    HA   VAL  52           HA       VAL  52   7.705  -8.937   7.292
  324    HB   VAL  52           HB       VAL  52   6.862  -7.464   4.782
  325   1HG1  VAL  52          1HG1      VAL  52   5.287  -9.261   4.972
  326   2HG1  VAL  52          2HG1      VAL  52   4.518  -7.853   5.680
  327   3HG1  VAL  52          3HG1      VAL  52   5.210  -9.094   6.726
  328   1HG2  VAL  52          1HG2      VAL  52   5.568  -6.363   6.900
  329   2HG2  VAL  52          2HG2      VAL  52   7.132  -5.802   6.302
  330   3HG2  VAL  52          3HG2      VAL  52   7.050  -6.880   7.685
  331    H    SER  53           H        SER  53   8.447  -9.409   3.833
  332    HA   SER  53           HA       SER  53   8.543 -12.216   4.008
  333   1HB   SER  53          2HB       SER  53   5.814 -11.127   3.869
  334   2HB   SER  53          1HB       SER  53   6.161 -12.230   2.555
  335    HG   SER  53           HG       SER  53   5.388 -13.237   4.515
  336    H    SER  54           H        SER  54   7.878 -13.135   1.593
  337    HA   SER  54           HA       SER  54   9.536 -11.487  -0.221
  338   1HB   SER  54          2HB       SER  54   8.495 -13.907  -1.462
  339   2HB   SER  54          1HB       SER  54  10.138 -13.439  -1.069
  340    HG   SER  54           HG       SER  54  10.007 -14.372   0.875
  341    HA   PRO  55           HA       PRO  55   5.645 -11.878  -2.943
  342   1HB   PRO  55          2HB       PRO  55   3.425 -13.089  -1.890
  343   2HB   PRO  55          1HB       PRO  55   4.702 -13.944  -2.750
  344   1HG   PRO  55          2HG       PRO  55   4.144 -13.877   0.187
  345   2HG   PRO  55          1HG       PRO  55   4.904 -15.153  -0.779
  346   1HD   PRO  55          2HD       PRO  55   6.210 -13.290   0.846
  347   2HD   PRO  55          1HD       PRO  55   6.961 -14.348  -0.337
  348    H    TYR  56           H        TYR  56   5.746  -9.640  -2.430
  349    HA   TYR  56           HA       TYR  56   4.028  -8.592  -0.277
  350   1HB   TYR  56          2HB       TYR  56   5.987  -7.487  -2.251
  351   2HB   TYR  56          1HB       TYR  56   4.829  -6.381  -1.560
  352    HD1  TYR  56           1HD      TYR  56   5.892  -9.296   0.394
  353    HD2  TYR  56           2HD      TYR  56   6.678  -5.159  -0.470
  354    HE1  TYR  56           1HE      TYR  56   7.212  -9.111   2.409
  355    HE2  TYR  56           2HE      TYR  56   8.026  -5.028   1.578
  356    HH   TYR  56           HH       TYR  56   9.320  -7.514   3.143
  357    H    TYR  57           H        TYR  57   2.709  -6.522  -1.077
  358    HA   TYR  57           HA       TYR  57   1.348  -7.020  -3.605
  359   1HB   TYR  57          2HB       TYR  57   0.003  -7.270  -0.932
  360   2HB   TYR  57          1HB       TYR  57  -0.925  -7.070  -2.438
  361    HD1  TYR  57           1HD      TYR  57  -1.114  -8.909  -3.993
  362    HD2  TYR  57           2HD      TYR  57   1.330  -9.262  -0.494
  363    HE1  TYR  57           1HE      TYR  57  -0.888 -11.327  -4.418
  364    HE2  TYR  57           2HE      TYR  57   1.525 -11.703  -0.890
  365    HH   TYR  57           HH       TYR  57   1.274 -13.219  -3.336
  366    H    GLU  58           H        GLU  58   0.785  -5.124  -4.523
  367    HA   GLU  58           HA       GLU  58   1.245  -2.682  -2.929
  368   1HB   GLU  58          2HB       GLU  58   0.999  -1.499  -5.102
  369   2HB   GLU  58          1HB       GLU  58   2.214  -2.777  -5.159
  370   1HG   GLU  58          2HG       GLU  58   0.520  -4.307  -6.179
  371   2HG   GLU  58          1HG       GLU  58  -0.629  -2.968  -6.191
  372    H    TRP  59           H        TRP  59  -0.302  -1.351  -2.207
  373    HA   TRP  59           HA       TRP  59  -2.960  -1.242  -3.374
  374   1HB   TRP  59          2HB       TRP  59  -3.457  -3.132  -2.013
  375   2HB   TRP  59          1HB       TRP  59  -2.504  -2.510  -0.657
  376    HD1  TRP  59           HD       TRP  59  -3.583  -0.696   0.875
  377    HE1  TRP  59           1HE      TRP  59  -5.997   0.118   1.203
  378    HE3  TRP  59           3HE      TRP  59  -5.761  -2.726  -3.288
  379    HZ2  TRP  59           2HZ      TRP  59  -8.518  -0.076  -0.133
  380    HZ3  TRP  59           3HZ      TRP  59  -8.178  -2.391  -3.721
  381    HH2  TRP  59           HH       TRP  59  -9.536  -1.097  -2.164
  382    HA   PRO  60           HA       PRO  60  -2.181   2.840  -1.776
  383   1HB   PRO  60          2HB       PRO  60  -4.685   3.885  -2.128
  384   2HB   PRO  60          1HB       PRO  60  -3.525   3.627  -3.430
  385   1HG   PRO  60          2HG       PRO  60  -5.899   1.977  -2.691
  386   2HG   PRO  60          1HG       PRO  60  -5.244   2.316  -4.252
  387   1HD   PRO  60          2HD       PRO  60  -4.888  -0.017  -2.847
  388   2HD   PRO  60          1HD       PRO  60  -3.827   0.464  -4.113
  389    H    ILE  61           H        ILE  61  -2.583   4.152   0.029
  390    HA   ILE  61           HA       ILE  61  -4.220   2.855   2.196
  391    HB   ILE  61           HB       ILE  61  -2.073   2.734   3.047
  392   1HG1  ILE  61          2HG1      ILE  61  -1.732   4.551   4.653
  393   2HG1  ILE  61          1HG1      ILE  61  -2.816   5.615   3.769
  394   1HG2  ILE  61          1HG2      ILE  61  -0.848   3.663   1.216
  395   2HG2  ILE  61          2HG2      ILE  61  -0.360   4.566   2.640
  396   3HG2  ILE  61          3HG2      ILE  61  -1.506   5.276   1.504
  397   1HD1  ILE  61          1HD1      ILE  61  -4.679   4.123   4.271
  398   2HD1  ILE  61          2HD1      ILE  61  -3.865   4.535   5.734
  399   3HD1  ILE  61          3HD1      ILE  61  -3.586   2.973   4.997
  400    H    LEU  62           H        LEU  62  -5.997   4.072   2.727
  401    HA   LEU  62           HA       LEU  62  -5.860   7.030   2.278
  402   1HB   LEU  62          2HB       LEU  62  -8.490   5.590   2.440
  403   2HB   LEU  62          1HB       LEU  62  -8.029   7.030   1.520
  404    HG   LEU  62           HG       LEU  62  -7.472   4.127   0.858
  405   1HD1  LEU  62          1HD1      LEU  62  -8.308   5.132  -1.400
  406   2HD1  LEU  62          2HD1      LEU  62  -8.909   6.454  -0.417
  407   3HD1  LEU  62          3HD1      LEU  62  -9.477   4.810  -0.124
  408   1HD2  LEU  62          1HD2      LEU  62  -5.756   6.465   0.282
  409   2HD2  LEU  62          2HD2      LEU  62  -6.308   5.649  -1.148
  410   3HD2  LEU  62          3HD2      LEU  62  -5.455   4.740   0.052
  411    H    SER  63           H        SER  63  -7.441   8.220   3.772
  412    HA   SER  63           HA       SER  63  -7.395   6.935   6.492
  413   1HB   SER  63          2HB       SER  63  -5.825   8.691   6.638
  414   2HB   SER  63          1HB       SER  63  -6.780   9.775   5.633
  415    HG   SER  63           HG       SER  63  -7.999  10.246   7.337
  416    H    SER  64           H        SER  64  -9.542   6.712   4.618
  417    HA   SER  64           HA       SER  64 -11.603   8.467   5.910
  418   1HB   SER  64          2HB       SER  64 -10.977   8.122   3.176
  419   2HB   SER  64          1HB       SER  64 -12.468   7.212   3.428
  420    HG   SER  64           HG       SER  64 -11.966   9.953   3.834
  421    H    GLY  65           H        GLY  65 -10.700   5.182   4.946
  422   1HA   GLY  65          2HA       GLY  65 -11.408   3.234   6.082
  423   2HA   GLY  65          1HA       GLY  65 -12.733   4.128   6.822
  424    H    ASP  66           H        ASP  66 -12.390   4.713   3.448
  425    HA   ASP  66           HA       ASP  66 -14.737   2.923   2.948
  426   1HB   ASP  66          2HB       ASP  66 -13.884   5.610   1.949
  427   2HB   ASP  66          1HB       ASP  66 -14.666   4.551   0.771
  428    H    VAL  67           H        VAL  67 -11.537   2.624   2.739
  429    HA   VAL  67           HA       VAL  67 -10.138   1.348   1.411
  430    HB   VAL  67           HB       VAL  67 -12.798   0.384   0.278
  431   1HG1  VAL  67          1HG1      VAL  67 -10.136  -0.948   0.068
  432   2HG1  VAL  67          2HG1      VAL  67 -10.790   0.031  -1.235
  433   3HG1  VAL  67          3HG1      VAL  67 -11.621  -1.408  -0.706
  434   1HG2  VAL  67          1HG2      VAL  67 -12.845  -0.370   2.439
  435   2HG2  VAL  67          2HG2      VAL  67 -11.099  -0.350   2.622
  436   3HG2  VAL  67          3HG2      VAL  67 -11.879  -1.661   1.735
  437    H    TYR  68           H        TYR  68  -9.058   1.654  -0.582
  438    HA   TYR  68           HA       TYR  68  -9.590   3.970  -2.052
  439   1HB   TYR  68          2HB       TYR  68  -7.401   2.957  -2.150
  440   2HB   TYR  68          1HB       TYR  68  -8.070   1.486  -2.885
  441    HD1  TYR  68           1HD      TYR  68  -7.316   1.376  -5.080
  442    HD2  TYR  68           2HD      TYR  68  -8.673   5.135  -3.542
  443    HE1  TYR  68           1HE      TYR  68  -7.039   2.403  -7.338
  444    HE2  TYR  68           2HE      TYR  68  -8.409   6.155  -5.774
  445    HH   TYR  68           HH       TYR  68  -8.381   4.893  -8.411
  446    H    SER  69           H        SER  69 -11.465   4.358  -3.089
  447    HA   SER  69           HA       SER  69 -12.181   2.827  -5.416
  448   1HB   SER  69          2HB       SER  69 -14.560   2.248  -4.226
  449   2HB   SER  69          1HB       SER  69 -13.196   1.141  -4.211
  450    HG   SER  69           HG       SER  69 -13.890   1.388  -2.111
  451    H    GLY  70           H        GLY  70 -11.756   5.523  -5.050
  452   1HA   GLY  70          2HA       GLY  70 -14.447   6.620  -5.709
  453   2HA   GLY  70          1HA       GLY  70 -13.588   7.358  -4.354
  454    H    GLY  71           H        GLY  71 -11.025   7.554  -5.150
  455   1HA   GLY  71          2HA       GLY  71 -10.379   8.203  -7.788
  456   2HA   GLY  71          1HA       GLY  71 -11.137   9.665  -7.150
  457    H    SER  72           H        SER  72  -8.860  10.512  -7.588
  458    HA   SER  72           HA       SER  72  -6.838  11.285  -6.726
  459   1HB   SER  72          2HB       SER  72  -7.178  10.340  -3.959
  460   2HB   SER  72          1HB       SER  72  -7.072  11.980  -4.598
  461    HG   SER  72           HG       SER  72  -9.124  11.402  -3.618
  462    HA   PRO  73           HA       PRO  73  -5.278   6.878  -6.703
  463   1HB   PRO  73          2HB       PRO  73  -4.152   6.968  -9.201
  464   2HB   PRO  73          1HB       PRO  73  -5.819   6.491  -8.892
  465   1HG   PRO  73          2HG       PRO  73  -4.787   9.057 -10.033
  466   2HG   PRO  73          1HG       PRO  73  -6.345   8.258 -10.307
  467   1HD   PRO  73          2HD       PRO  73  -5.884  10.469  -8.591
  468   2HD   PRO  73          1HD       PRO  73  -7.333   9.455  -8.655
  469    H    GLY  74           H        GLY  74  -3.044   6.245  -6.517
  470   1HA   GLY  74          2HA       GLY  74  -0.764   6.570  -6.198
  471   2HA   GLY  74          1HA       GLY  74  -0.866   8.099  -7.068
  472    H    ALA  75           H        ALA  75   0.378   9.258  -5.514
  473    HA   ALA  75           HA       ALA  75   0.518  10.707  -3.706
  474   1HB   ALA  75          1HB       ALA  75  -1.973   9.519  -2.456
  475   2HB   ALA  75          2HB       ALA  75  -2.078  10.576  -3.851
  476   3HB   ALA  75          3HB       ALA  75  -1.326  11.146  -2.373
  477    H    ASP  76           H        ASP  76  -1.094   7.931  -2.084
  478    HA   ASP  76           HA       ASP  76   1.538   7.279  -0.843
  479   1HB   ASP  76          2HB       ASP  76  -1.111   7.878   0.478
  480   2HB   ASP  76          1HB       ASP  76   0.030   6.772   1.255
  481    H    ARG  77           H        ARG  77   1.994   5.146  -0.747
  482    HA   ARG  77           HA       ARG  77  -0.232   3.194  -1.091
  483   1HB   ARG  77          2HB       ARG  77   2.041   3.711  -2.955
  484   2HB   ARG  77          1HB       ARG  77   1.775   2.010  -2.557
  485   1HG   ARG  77          2HG       ARG  77  -0.788   2.796  -3.053
  486   2HG   ARG  77          1HG       ARG  77   0.107   3.882  -4.115
  487   1HD   ARG  77          2HD       ARG  77   1.391   1.693  -4.799
  488   2HD   ARG  77          1HD       ARG  77  -0.027   0.883  -4.106
  489    HE   ARG  77           HE       ARG  77  -0.826   2.979  -5.757
  490   1HH1  ARG  77          1HH2      ARG  77  -2.708   1.353  -5.345
  491   2HH1  ARG  77          2HH2      ARG  77  -2.760   0.070  -6.513
  492   1HH2  ARG  77          1HH1      ARG  77   0.474   0.659  -7.635
  493   2HH2  ARG  77          2HH1      ARG  77  -0.956  -0.299  -7.836
  494    H    VAL  78           H        VAL  78  -0.067   1.667   0.490
  495    HA   VAL  78           HA       VAL  78   2.660   1.274   1.686
  496    HB   VAL  78           HB       VAL  78   0.751   2.208   3.144
  497   1HG1  VAL  78          1HG1      VAL  78  -0.919   0.730   3.910
  498   2HG1  VAL  78          2HG1      VAL  78  -0.107  -0.675   3.253
  499   3HG1  VAL  78          3HG1      VAL  78  -0.906   0.470   2.171
  500   1HG2  VAL  78          1HG2      VAL  78   2.331  -0.278   3.835
  501   2HG2  VAL  78          2HG2      VAL  78   1.422   0.608   5.036
  502   3HG2  VAL  78          3HG2      VAL  78   2.726   1.388   4.178
  503    H    VAL  79           H        VAL  79   3.547  -0.646   1.192
  504    HA   VAL  79           HA       VAL  79   1.966  -2.732  -0.120
  505    HB   VAL  79           HB       VAL  79   4.858  -2.878   0.785
  506   1HG1  VAL  79          1HG1      VAL  79   3.166  -4.394  -1.194
  507   2HG1  VAL  79          2HG1      VAL  79   4.154  -5.048   0.103
  508   3HG1  VAL  79          3HG1      VAL  79   4.894  -4.361  -1.302
  509   1HG2  VAL  79          1HG2      VAL  79   3.733  -1.833  -1.808
  510   2HG2  VAL  79          2HG2      VAL  79   5.443  -2.070  -1.427
  511   3HG2  VAL  79          3HG2      VAL  79   4.503  -0.898  -0.531
  512    H    PHE  80           H        PHE  80   2.291  -5.032   0.634
  513    HA   PHE  80           HA       PHE  80   2.648  -5.474   3.476
  514   1HB   PHE  80          2HB       PHE  80   0.286  -6.138   3.848
  515   2HB   PHE  80          1HB       PHE  80   0.445  -4.453   3.375
  516    HD1  PHE  80           1HD      PHE  80  -1.296  -7.427   2.714
  517    HD2  PHE  80           2HD      PHE  80   0.343  -3.984   0.741
  518    HE1  PHE  80           1HE      PHE  80  -2.784  -7.809   0.771
  519    HE2  PHE  80           2HE      PHE  80  -1.138  -4.367  -1.186
  520    HZ   PHE  80           HZ       PHE  80  -2.707  -6.280  -1.180
  521    H    ASN  81           H        ASN  81   1.435  -7.898   3.766
  522    HA   ASN  81           HA       ASN  81   2.409  -9.463   1.399
  523   1HB   ASN  81          2HB       ASN  81   3.966  -9.621   3.308
  524   2HB   ASN  81          1HB       ASN  81   2.675 -10.226   4.338
  525   1HD2  ASN  81          1HD2      ASN  81   1.865 -12.398   3.877
  526   2HD2  ASN  81          2HD2      ASN  81   2.734 -13.459   2.847
  527    H    GLU  82           H        GLU  82   0.830 -10.576   4.370
  528    HA   GLU  82           HA       GLU  82  -1.742 -10.928   3.048
  529   1HB   GLU  82          2HB       GLU  82   0.094 -13.285   3.641
  530   2HB   GLU  82          1HB       GLU  82  -1.647 -13.480   3.447
  531   1HG   GLU  82          2HG       GLU  82   0.300 -12.487   1.358
  532   2HG   GLU  82          1HG       GLU  82  -0.680 -13.937   1.340
  533    H    ASN  83           H        ASN  83  -0.327  -9.911   5.607
  534    HA   ASN  83           HA       ASN  83  -2.396 -11.020   7.434
  535   1HB   ASN  83          2HB       ASN  83   0.576 -11.161   7.712
  536   2HB   ASN  83          1HB       ASN  83  -0.288 -10.619   9.154
  537   1HD2  ASN  83          1HD2      ASN  83   0.455 -12.700  10.094
  538   2HD2  ASN  83          2HD2      ASN  83  -0.485 -14.109   9.751
  539    H    ASN  84           H        ASN  84  -1.956  -8.505   5.825
  540    HA   ASN  84           HA       ASN  84  -2.063  -6.219   6.118
  541   1HB   ASN  84          2HB       ASN  84  -3.733  -5.503   7.666
  542   2HB   ASN  84          1HB       ASN  84  -4.218  -7.132   7.200
  543   1HD2  ASN  84          1HD2      ASN  84  -4.791  -8.391   8.940
  544   2HD2  ASN  84          2HD2      ASN  84  -4.142  -8.212  10.530
  545    H    GLN  85           H        GLN  85   0.252  -7.701   7.361
  546    HA   GLN  85           HA       GLN  85   0.866  -6.355   9.843
  547   1HB   GLN  85          2HB       GLN  85   3.145  -7.375   8.169
  548   2HB   GLN  85          1HB       GLN  85   2.789  -7.582   9.878
  549   1HG   GLN  85          2HG       GLN  85   0.775  -8.989   8.945
  550   2HG   GLN  85          1HG       GLN  85   1.817  -9.151   7.524
  551   1HE2  GLN  85          1HE2      GLN  85   1.675  -9.668  11.054
  552   2HE2  GLN  85          2HE2      GLN  85   2.879 -10.907  11.054
  553    H    LEU  86           H        LEU  86   3.108  -6.003   7.071
  554    HA   LEU  86           HA       LEU  86   2.495  -3.527   6.156
  555   1HB   LEU  86          2HB       LEU  86   2.958  -3.108   8.877
  556   2HB   LEU  86          1HB       LEU  86   4.534  -2.802   8.217
  557    HG   LEU  86           HG       LEU  86   3.447  -0.704   8.185
  558   1HD1  LEU  86          1HD1      LEU  86   4.624  -1.494   6.055
  559   2HD1  LEU  86          2HD1      LEU  86   3.546  -0.136   5.921
  560   3HD1  LEU  86          3HD1      LEU  86   3.018  -1.714   5.354
  561   1HD2  LEU  86          1HD2      LEU  86   1.113  -2.076   6.808
  562   2HD2  LEU  86          2HD2      LEU  86   1.233  -0.361   7.197
  563   3HD2  LEU  86          3HD2      LEU  86   1.143  -1.551   8.492
  564    H    ALA  87           H        ALA  87   3.730  -3.871   4.331
  565    HA   ALA  87           HA       ALA  87   6.404  -5.057   4.467
  566   1HB   ALA  87          1HB       ALA  87   6.312  -4.027   1.964
  567   2HB   ALA  87          2HB       ALA  87   4.628  -4.034   2.359
  568   3HB   ALA  87          3HB       ALA  87   5.488  -5.527   2.417
  569    H    GLY  88           H        GLY  88   5.027  -1.835   3.913
  570   1HA   GLY  88          2HA       GLY  88   6.900  -0.291   5.232
  571   2HA   GLY  88          1HA       GLY  88   7.629  -0.534   3.639
  572    H    VAL  89           H        VAL  89   6.623   2.016   4.711
  573    HA   VAL  89           HA       VAL  89   4.132   2.432   3.142
  574    HB   VAL  89           HB       VAL  89   5.665   4.413   4.853
  575   1HG1  VAL  89          1HG1      VAL  89   4.195   5.438   3.149
  576   2HG1  VAL  89          2HG1      VAL  89   3.512   5.643   4.743
  577   3HG1  VAL  89          3HG1      VAL  89   2.862   4.416   3.668
  578   1HG2  VAL  89          1HG2      VAL  89   3.547   2.379   5.450
  579   2HG2  VAL  89          2HG2      VAL  89   3.503   3.883   6.281
  580   3HG2  VAL  89          3HG2      VAL  89   4.918   2.856   6.375
  581    H    ILE  90           H        ILE  90   4.550   2.636   1.027
  582    HA   ILE  90           HA       ILE  90   6.859   4.324   0.135
  583    HB   ILE  90           HB       ILE  90   6.037   3.424  -2.178
  584   1HG1  ILE  90          2HG1      ILE  90   4.698   1.492  -0.247
  585   2HG1  ILE  90          1HG1      ILE  90   4.013   2.288  -1.678
  586   1HG2  ILE  90          1HG2      ILE  90   8.155   2.870  -0.858
  587   2HG2  ILE  90          2HG2      ILE  90   7.637   1.689  -2.046
  588   3HG2  ILE  90          3HG2      ILE  90   7.315   1.411  -0.332
  589   1HD1  ILE  90          1HD1      ILE  90   5.767   0.921  -2.973
  590   2HD1  ILE  90          2HD1      ILE  90   4.376   0.109  -2.357
  591   3HD1  ILE  90          3HD1      ILE  90   5.930  -0.008  -1.512
  592    H    THR  91           H        THR  91   6.175   5.728  -1.901
  593    HA   THR  91           HA       THR  91   3.393   6.702  -1.577
  594    HB   THR  91           HB       THR  91   5.107   7.918  -0.065
  595    HG1  THR  91           1HG      THR  91   4.005   9.913  -0.524
  596   1HG2  THR  91          1HG2      THR  91   5.723   9.399  -2.593
  597   2HG2  THR  91          2HG2      THR  91   6.758   8.121  -1.988
  598   3HG2  THR  91          3HG2      THR  91   6.483   9.561  -1.022
  599    H    HIS  92           H        HIS  92   2.522   7.569  -3.401
  600    HA   HIS  92           HA       HIS  92   4.082   7.314  -5.902
  601   1HB   HIS  92          2HB       HIS  92   1.248   7.327  -5.105
  602   2HB   HIS  92          1HB       HIS  92   1.520   8.248  -6.580
  603    HD1  HIS  92           1HD      HIS  92   3.756   5.349  -5.911
  604    HD2  HIS  92           2HD      HIS  92   0.247   6.140  -8.020
  605    HE1  HIS  92           1HE      HIS  92   3.421   3.456  -7.514
  606    HE2  HIS  92           2HE      HIS  92   1.103   3.725  -8.465
  607    H    THR  93           H        THR  93   5.261   9.296  -4.601
  608    HA   THR  93           HA       THR  93   4.756  11.596  -6.284
  609    HB   THR  93           HB       THR  93   2.940  11.712  -4.432
  610    HG1  THR  93           1HG      THR  93   3.319  13.574  -5.523
  611   1HG2  THR  93          1HG2      THR  93   4.772  11.058  -2.680
  612   2HG2  THR  93          2HG2      THR  93   3.541  12.225  -2.264
  613   3HG2  THR  93          3HG2      THR  93   5.147  12.777  -2.705
  614    H    GLY  94           H        GLY  94   6.968   9.773  -5.173
  615   1HA   GLY  94          2HA       GLY  94   8.812  11.989  -4.332
  616   2HA   GLY  94          1HA       GLY  94   8.882  10.382  -3.626
  617    H    ALA  95           H        ALA  95   8.085  10.674  -6.999
  618    HA   ALA  95           HA       ALA  95  10.727  10.621  -8.085
  619   1HB   ALA  95          1HB       ALA  95  11.295   8.551  -7.346
  620   2HB   ALA  95          2HB       ALA  95  10.349   8.000  -8.717
  621   3HB   ALA  95          3HB       ALA  95   9.634   8.053  -7.097
  622    H    SER  96           H        SER  96  10.238  11.414 -10.110
  623    HA   SER  96           HA       SER  96   8.975  11.847 -12.035
  624   1HB   SER  96          2HB       SER  96   8.284   8.893 -11.957
  625   2HB   SER  96          1HB       SER  96   8.619   9.916 -13.363
  626    HG   SER  96           HG       SER  96  10.405   8.593 -12.840
  627    H    GLY  97           H        GLY  97   6.639  10.485 -12.984
  628   1HA   GLY  97          2HA       GLY  97   4.534  11.886 -11.984
  629   2HA   GLY  97          1HA       GLY  97   4.340  10.235 -12.574
  630    H    ASN  98           H        ASN  98   5.578   8.700 -10.684
  631    HA   ASN  98           HA       ASN  98   4.685   9.570  -8.010
  632   1HB   ASN  98          2HB       ASN  98   3.579   6.956  -8.289
  633   2HB   ASN  98          1HB       ASN  98   2.738   8.474  -8.057
  634   1HD2  ASN  98          1HD2      ASN  98   1.357   9.095  -9.669
  635   2HD2  ASN  98          2HD2      ASN  98   1.400   8.445 -11.269
  636    H    ASN  99           H        ASN  99   5.278   6.301  -9.383
  637    HA   ASN  99           HA       ASN  99   6.888   4.746  -8.828
  638   1HB   ASN  99          2HB       ASN  99   8.284   7.237  -9.154
  639   2HB   ASN  99          1HB       ASN  99   8.961   6.423  -7.752
  640   1HD2  ASN  99          1HD2      ASN  99   8.050   5.753 -11.143
  641   2HD2  ASN  99          2HD2      ASN  99   9.323   4.608 -11.371
  642    H    PHE 100           H        PHE 100   7.586   3.598  -6.938
  643    HA   PHE 100           HA       PHE 100   6.391   4.683  -4.442
  644   1HB   PHE 100          2HB       PHE 100   7.615   1.994  -4.278
  645   2HB   PHE 100          1HB       PHE 100   6.038   2.586  -3.796
  646    HD1  PHE 100           1HD      PHE 100   4.108   2.322  -5.098
  647    HD2  PHE 100           2HD      PHE 100   7.986   1.401  -6.702
  648    HE1  PHE 100           1HE      PHE 100   3.040   1.204  -7.036
  649    HE2  PHE 100           2HE      PHE 100   6.913   0.290  -8.647
  650    HZ   PHE 100           HZ       PHE 100   4.443   0.188  -8.808
  651    H    VAL 101           H        VAL 101   7.641   5.564  -2.916
  652    HA   VAL 101           HA       VAL 101  10.399   4.630  -2.485
  653    HB   VAL 101           HB       VAL 101  10.943   7.221  -2.222
  654   1HG1  VAL 101          1HG1      VAL 101  10.775   5.841  -4.920
  655   2HG1  VAL 101          2HG1      VAL 101  12.095   5.679  -3.760
  656   3HG1  VAL 101          3HG1      VAL 101  11.786   7.234  -4.527
  657   1HG2  VAL 101          1HG2      VAL 101   8.796   7.231  -4.379
  658   2HG2  VAL 101          2HG2      VAL 101   9.765   8.574  -3.805
  659   3HG2  VAL 101          3HG2      VAL 101   8.575   7.858  -2.745
  660    H    GLU 102           H        GLU 102  10.893   4.612  -0.335
  661    HA   GLU 102           HA       GLU 102   8.972   4.665   1.637
  662   1HB   GLU 102          2HB       GLU 102  10.957   5.485   3.200
  663   2HB   GLU 102          1HB       GLU 102  11.027   3.911   2.416
  664   1HG   GLU 102          2HG       GLU 102  12.077   6.092   0.700
  665   2HG   GLU 102          1HG       GLU 102  12.924   5.915   2.231
  666    H    CYS 103           H        CYS 103   7.734   6.235   2.602
  667    HA   CYS 103           HA       CYS 103   7.622   8.882   1.636
  668   1HB   CYS 103          2HB       CYS 103   6.675   7.541   4.181
  669   2HB   CYS 103          1HB       CYS 103   6.486   9.281   3.986
  670    H    THR 104           H        THR 104   9.572   9.993   1.591
  671    HA   THR 104           HA       THR 104  10.606  10.878   4.235
  672    HB   THR 104           HB       THR 104  12.952  10.480   2.714
  673    HG1  THR 104           1HG      THR 104  12.779   8.493   1.830
  674   1HG2  THR 104          1HG2      THR 104  11.742   8.686   4.835
  675   2HG2  THR 104          2HG2      THR 104  12.685  10.148   5.140
  676   3HG2  THR 104          3HG2      THR 104  13.442   8.756   4.368
  Start of MODEL   19
    1   1H    ALA   1          1HT       ALA   1  -2.257  12.765  15.297
    2   2H    ALA   1          2HT       ALA   1  -0.697  13.479  15.175
    3   3H    ALA   1          3HT       ALA   1  -1.472  13.373  16.699
    4    HA   ALA   1           HA       ALA   1   0.246  11.730  16.513
    5   1HB   ALA   1          1HB       ALA   1  -2.560  10.586  16.391
    6   2HB   ALA   1          2HB       ALA   1  -1.760  11.220  17.827
    7   3HB   ALA   1          3HB       ALA   1  -1.141   9.764  17.051
    8    H    CYS   2           H        CYS   2   1.445  10.576  15.049
    9    HA   CYS   2           HA       CYS   2   0.432   8.825  13.133
   10   1HB   CYS   2          2HB       CYS   2   0.784  10.137  11.035
   11   2HB   CYS   2          1HB       CYS   2  -0.534  10.772  12.001
   12    H    ASP   3           H        ASP   3   2.151   7.947  11.724
   13    HA   ASP   3           HA       ASP   3   4.881   8.884  12.518
   14   1HB   ASP   3          2HB       ASP   3   3.787   6.463  13.253
   15   2HB   ASP   3          1HB       ASP   3   4.585   6.020  11.740
   16    H    TYR   4           H        TYR   4   2.896   7.306  10.014
   17    HA   TYR   4           HA       TYR   4   5.050   7.544   8.039
   18   1HB   TYR   4          2HB       TYR   4   2.212   6.518   8.058
   19   2HB   TYR   4          1HB       TYR   4   2.957   6.905   6.500
   20    HD1  TYR   4           1HD      TYR   4   2.668   4.444   9.057
   21    HD2  TYR   4           2HD      TYR   4   5.317   5.962   6.036
   22    HE1  TYR   4           1HE      TYR   4   3.920   2.303   9.081
   23    HE2  TYR   4           2HE      TYR   4   6.569   3.823   6.054
   24    HH   TYR   4           HH       TYR   4   6.673   1.748   8.288
   25    H    THR   5           H        THR   5   5.404   9.315   6.790
   26    HA   THR   5           HA       THR   5   3.141  11.235   6.385
   27    HB   THR   5           HB       THR   5   5.803  12.521   6.557
   28    HG1  THR   5           1HG      THR   5   6.184  12.123   8.666
   29   1HG2  THR   5          1HG2      THR   5   3.418  13.054   8.282
   30   2HG2  THR   5          2HG2      THR   5   3.372  13.497   6.572
   31   3HG2  THR   5          3HG2      THR   5   4.595  14.189   7.636
   32    H    CYS   6           H        CYS   6   2.897  11.751   4.260
   33    HA   CYS   6           HA       CYS   6   5.270  11.539   2.452
   34   1HB   CYS   6          2HB       CYS   6   2.547  10.253   2.034
   35   2HB   CYS   6          1HB       CYS   6   3.819  10.343   0.806
   36    H    GLY   7           H        GLY   7   3.361  13.592   3.654
   37   1HA   GLY   7          2HA       GLY   7   3.499  15.474   1.540
   38   2HA   GLY   7          1HA       GLY   7   1.870  14.790   1.549
   39    H    SER   8           H        SER   8   4.030  15.475   4.316
   40    HA   SER   8           HA       SER   8   3.686  16.808   6.181
   41   1HB   SER   8          2HB       SER   8   2.507  18.347   3.930
   42   2HB   SER   8          1HB       SER   8   1.853  18.771   5.505
   43    HG   SER   8           HG       SER   8   4.506  18.904   4.588
   44    H    ASN   9           H        ASN   9   1.618  14.638   5.144
   45    HA   ASN   9           HA       ASN   9  -0.814  15.468   6.563
   46   1HB   ASN   9          2HB       ASN   9  -0.162  12.724   5.454
   47   2HB   ASN   9          1HB       ASN   9  -1.757  13.434   5.740
   48   1HD2  ASN   9          1HD2      ASN   9  -2.082  15.584   4.428
   49   2HD2  ASN   9          2HD2      ASN   9  -1.492  15.536   2.805
   50    H    CYS  10           H        CYS  10  -1.620  13.260   7.932
   51    HA   CYS  10           HA       CYS  10   0.627  12.638   9.762
   52   1HB   CYS  10          2HB       CYS  10  -1.388  14.410  10.409
   53   2HB   CYS  10          1HB       CYS  10  -2.065  12.914  11.040
   54    H    TYR  11           H        TYR  11   0.422  10.702   8.192
   55    HA   TYR  11           HA       TYR  11  -1.877   8.938   8.673
   56   1HB   TYR  11          2HB       TYR  11   0.724   8.655   7.145
   57   2HB   TYR  11          1HB       TYR  11  -0.338   7.272   7.383
   58    HD1  TYR  11           1HD      TYR  11  -0.294  10.790   6.141
   59    HD2  TYR  11           2HD      TYR  11  -2.190   6.944   5.999
   60    HE1  TYR  11           1HE      TYR  11  -1.718  11.558   4.253
   61    HE2  TYR  11           2HE      TYR  11  -3.583   7.713   4.109
   62    HH   TYR  11           HH       TYR  11  -3.155   9.846   2.186
   63    H    SER  12           H        SER  12  -2.039   7.695  10.475
   64    HA   SER  12           HA       SER  12   0.372   7.259  12.132
   65   1HB   SER  12          2HB       SER  12  -2.122   6.079  13.117
   66   2HB   SER  12          1HB       SER  12  -1.047   7.254  13.871
   67    HG   SER  12           HG       SER  12  -2.112   8.886  12.899
   68    H    SER  13           H        SER  13   1.353   5.310  12.434
   69    HA   SER  13           HA       SER  13   1.122   3.251  10.546
   70   1HB   SER  13          2HB       SER  13   2.282   1.808  12.237
   71   2HB   SER  13          1HB       SER  13   3.029   3.400  12.069
   72    HG   SER  13           HG       SER  13   2.743   2.918  14.260
   73    H    SER  14           H        SER  14  -0.915   3.961  13.292
   74    HA   SER  14           HA       SER  14  -2.120   1.293  13.345
   75   1HB   SER  14          2HB       SER  14  -1.887   2.812  15.367
   76   2HB   SER  14          1HB       SER  14  -3.153   3.827  14.666
   77    HG   SER  14           HG       SER  14  -3.314   1.174  15.615
   78    H    ASP  15           H        ASP  15  -2.874   4.502  12.034
   79    HA   ASP  15           HA       ASP  15  -5.529   3.725  11.164
   80   1HB   ASP  15          2HB       ASP  15  -3.763   6.114  10.921
   81   2HB   ASP  15          1HB       ASP  15  -4.810   5.852   9.523
   82    H    VAL  16           H        VAL  16  -2.303   3.362   9.987
   83    HA   VAL  16           HA       VAL  16  -3.037   2.910   7.217
   84    HB   VAL  16           HB       VAL  16  -0.542   1.806   8.543
   85   1HG1  VAL  16          1HG1      VAL  16  -0.977   1.274   6.167
   86   2HG1  VAL  16          2HG1      VAL  16   0.417   2.337   6.332
   87   3HG1  VAL  16          3HG1      VAL  16  -1.132   2.993   5.808
   88   1HG2  VAL  16          1HG2      VAL  16   0.187   4.289   7.603
   89   2HG2  VAL  16          2HG2      VAL  16  -0.111   3.877   9.255
   90   3HG2  VAL  16          3HG2      VAL  16  -1.376   4.642   8.328
   91    H    SER  17           H        SER  17  -2.727   0.945  10.131
   92    HA   SER  17           HA       SER  17  -2.704  -1.624   8.900
   93   1HB   SER  17          2HB       SER  17  -2.411  -2.047  11.110
   94   2HB   SER  17          1HB       SER  17  -3.172  -0.530  11.593
   95    HG   SER  17           HG       SER  17  -4.321  -2.476  12.234
   96    H    THR  18           H        THR  18  -5.422   0.446   9.972
   97    HA   THR  18           HA       THR  18  -7.508  -1.363   9.265
   98    HB   THR  18           HB       THR  18  -7.384   1.667   9.390
   99    HG1  THR  18           1HG      THR  18  -8.308   1.337  11.347
  100   1HG2  THR  18          1HG2      THR  18  -9.650  -0.145   8.572
  101   2HG2  THR  18          2HG2      THR  18  -9.139   1.397   7.876
  102   3HG2  THR  18          3HG2      THR  18  -9.963   1.363   9.429
  103    H    ALA  19           H        ALA  19  -5.806   1.136   7.385
  104    HA   ALA  19           HA       ALA  19  -7.346   0.604   4.959
  105   1HB   ALA  19          1HB       ALA  19  -6.403   2.530   4.319
  106   2HB   ALA  19          2HB       ALA  19  -4.798   1.809   4.422
  107   3HB   ALA  19          3HB       ALA  19  -5.516   2.582   5.844
  108    H    GLN  20           H        GLN  20  -4.753  -0.934   6.577
  109    HA   GLN  20           HA       GLN  20  -3.612  -2.107   4.166
  110   1HB   GLN  20          2HB       GLN  20  -2.593  -1.611   6.713
  111   2HB   GLN  20          1HB       GLN  20  -2.898  -3.328   6.777
  112   1HG   GLN  20          2HG       GLN  20  -1.016  -1.809   5.015
  113   2HG   GLN  20          1HG       GLN  20  -0.772  -3.295   5.936
  114   1HE2  GLN  20          1HE2      GLN  20  -2.132  -5.227   5.140
  115   2HE2  GLN  20          2HE2      GLN  20  -2.421  -5.326   3.451
  116    H    ALA  21           H        ALA  21  -6.046  -2.742   6.527
  117    HA   ALA  21           HA       ALA  21  -6.191  -5.631   5.991
  118   1HB   ALA  21          1HB       ALA  21  -8.142  -5.533   7.503
  119   2HB   ALA  21          2HB       ALA  21  -8.025  -3.771   7.538
  120   3HB   ALA  21          3HB       ALA  21  -6.732  -4.753   8.222
  121    H    ALA  22           H        ALA  22  -7.297  -2.729   4.544
  122    HA   ALA  22           HA       ALA  22  -9.785  -3.825   3.466
  123   1HB   ALA  22          1HB       ALA  22  -9.850  -1.718   2.189
  124   2HB   ALA  22          2HB       ALA  22  -8.219  -1.330   2.739
  125   3HB   ALA  22          3HB       ALA  22  -9.543  -1.419   3.899
  126    H    GLY  23           H        GLY  23  -6.647  -2.798   2.019
  127   1HA   GLY  23          2HA       GLY  23  -7.188  -3.989  -0.554
  128   2HA   GLY  23          1HA       GLY  23  -5.607  -3.544   0.064
  129    H    TYR  24           H        TYR  24  -6.119  -5.263   2.508
  130    HA   TYR  24           HA       TYR  24  -4.927  -7.677   1.374
  131   1HB   TYR  24          2HB       TYR  24  -3.981  -7.074   3.448
  132   2HB   TYR  24          1HB       TYR  24  -5.553  -6.669   4.151
  133    HD1  TYR  24           1HD      TYR  24  -5.551  -8.048   6.075
  134    HD2  TYR  24           2HD      TYR  24  -4.704  -9.741   2.213
  135    HE1  TYR  24           1HE      TYR  24  -5.723 -10.329   7.033
  136    HE2  TYR  24           2HE      TYR  24  -4.890 -12.011   3.164
  137    HH   TYR  24           HH       TYR  24  -4.537 -12.916   5.905
  138    H    GLN  25           H        GLN  25  -7.763  -7.154   3.533
  139    HA   GLN  25           HA       GLN  25  -8.903  -9.664   3.336
  140   1HB   GLN  25          2HB       GLN  25  -9.804  -7.118   4.164
  141   2HB   GLN  25          1HB       GLN  25 -11.001  -7.640   2.991
  142   1HG   GLN  25          2HG       GLN  25 -11.241  -9.775   4.203
  143   2HG   GLN  25          1HG       GLN  25 -10.062  -9.213   5.403
  144   1HE2  GLN  25          1HE2      GLN  25 -10.746  -7.624   6.931
  145   2HE2  GLN  25          2HE2      GLN  25 -12.399  -7.133   7.048
  146    H    LEU  26           H        LEU  26  -9.199  -7.020   0.967
  147    HA   LEU  26           HA       LEU  26 -10.932  -8.454  -0.797
  148   1HB   LEU  26          2HB       LEU  26  -9.810  -5.887  -0.731
  149   2HB   LEU  26          1HB       LEU  26  -9.018  -6.624  -2.114
  150    HG   LEU  26           HG       LEU  26 -11.105  -5.502  -2.800
  151   1HD1  LEU  26          1HD1      LEU  26 -11.281  -8.537  -2.931
  152   2HD1  LEU  26          2HD1      LEU  26 -10.384  -7.497  -4.040
  153   3HD1  LEU  26          3HD1      LEU  26 -12.127  -7.383  -3.919
  154   1HD2  LEU  26          1HD2      LEU  26 -13.205  -6.082  -1.932
  155   2HD2  LEU  26          2HD2      LEU  26 -12.192  -5.966  -0.501
  156   3HD2  LEU  26          3HD2      LEU  26 -12.617  -7.547  -1.159
  157    H    HIS  27           H        HIS  27  -7.394  -8.177  -0.657
  158    HA   HIS  27           HA       HIS  27  -6.929  -9.801  -2.987
  159   1HB   HIS  27          2HB       HIS  27  -5.163  -8.356  -2.096
  160   2HB   HIS  27          1HB       HIS  27  -5.155  -9.256  -0.573
  161    HD1  HIS  27           1HD      HIS  27  -5.188 -10.584  -4.146
  162    HD2  HIS  27           2HD      HIS  27  -2.824 -10.719  -0.712
  163    HE1  HIS  27           1HE      HIS  27  -3.308 -12.199  -4.636
  164    HE2  HIS  27           2HE      HIS  27  -2.127 -12.541  -2.432
  165    H    GLU  28           H        GLU  28  -7.986 -10.625   0.196
  166    HA   GLU  28           HA       GLU  28  -6.951 -13.379  -0.028
  167   1HB   GLU  28          2HB       GLU  28  -6.867 -12.130   2.152
  168   2HB   GLU  28          1HB       GLU  28  -8.628 -12.138   2.181
  169   1HG   GLU  28          2HG       GLU  28  -8.092 -14.013   3.448
  170   2HG   GLU  28          1HG       GLU  28  -8.405 -14.737   1.880
  171    H    ASP  29           H        ASP  29  -9.929 -11.559  -0.416
  172    HA   ASP  29           HA       ASP  29 -11.562 -14.022  -0.433
  173   1HB   ASP  29          2HB       ASP  29 -12.552 -12.001   0.510
  174   2HB   ASP  29          1HB       ASP  29 -12.259 -11.119  -0.994
  175    H    GLY  30           H        GLY  30  -9.621 -12.306  -2.659
  176   1HA   GLY  30          2HA       GLY  30  -9.263 -12.763  -4.920
  177   2HA   GLY  30          1HA       GLY  30 -10.521 -13.998  -4.851
  178    H    GLU  31           H        GLU  31 -11.836 -11.221  -3.541
  179    HA   GLU  31           HA       GLU  31 -13.425 -10.757  -5.943
  180   1HB   GLU  31          2HB       GLU  31 -13.498  -9.969  -3.074
  181   2HB   GLU  31          1HB       GLU  31 -14.168  -8.767  -4.161
  182   1HG   GLU  31          2HG       GLU  31 -14.982 -11.621  -4.600
  183   2HG   GLU  31          1HG       GLU  31 -15.628 -10.760  -3.201
  184    H    THR  32           H        THR  32 -13.835  -8.028  -5.991
  185    HA   THR  32           HA       THR  32 -11.095  -6.916  -6.417
  186    HB   THR  32           HB       THR  32 -13.263  -5.920  -8.208
  187    HG1  THR  32           1HG      THR  32 -13.850  -8.005  -8.443
  188   1HG2  THR  32          1HG2      THR  32 -10.409  -6.084  -8.103
  189   2HG2  THR  32          2HG2      THR  32 -11.460  -5.244  -9.257
  190   3HG2  THR  32          3HG2      THR  32 -10.964  -6.896  -9.562
  191    H    VAL  33           H        VAL  33 -11.417  -4.402  -6.838
  192    HA   VAL  33           HA       VAL  33 -12.636  -3.398  -4.380
  193    HB   VAL  33           HB       VAL  33 -11.166  -1.964  -6.624
  194   1HG1  VAL  33          1HG1      VAL  33 -12.699  -0.946  -4.395
  195   2HG1  VAL  33          2HG1      VAL  33 -11.707  -0.075  -5.557
  196   3HG1  VAL  33          3HG1      VAL  33 -10.990  -0.676  -4.072
  197   1HG2  VAL  33          1HG2      VAL  33  -9.293  -2.034  -5.047
  198   2HG2  VAL  33          2HG2      VAL  33  -9.810  -3.638  -5.535
  199   3HG2  VAL  33          3HG2      VAL  33 -10.249  -3.027  -3.942
  200    H    GLY  34           H        GLY  34 -12.822  -1.307  -7.204
  201   1HA   GLY  34          2HA       GLY  34 -15.805  -1.572  -7.131
  202   2HA   GLY  34          1HA       GLY  34 -14.961  -0.034  -7.263
  203    H    SER  35           H        SER  35 -14.691  -3.203  -8.920
  204    HA   SER  35           HA       SER  35 -14.963  -3.684 -11.191
  205   1HB   SER  35          2HB       SER  35 -16.523  -1.426 -10.944
  206   2HB   SER  35          1HB       SER  35 -15.329  -0.891 -12.136
  207    HG   SER  35           HG       SER  35 -15.981  -2.505 -13.468
  208    H    ASN  36           H        ASN  36 -12.711  -1.470  -9.873
  209    HA   ASN  36           HA       ASN  36 -11.081  -1.574 -12.369
  210   1HB   ASN  36          2HB       ASN  36 -11.380   0.437 -10.151
  211   2HB   ASN  36          1HB       ASN  36  -9.806   0.292 -10.944
  212   1HD2  ASN  36          1HD2      ASN  36  -9.569   1.218 -12.983
  213   2HD2  ASN  36          2HD2      ASN  36 -10.879   1.935 -13.852
  214    H    SER  37           H        SER  37 -11.430  -2.978  -9.310
  215    HA   SER  37           HA       SER  37 -10.001  -4.275  -8.045
  216   1HB   SER  37          2HB       SER  37  -9.659  -5.263 -10.447
  217   2HB   SER  37          1HB       SER  37  -8.162  -4.354 -10.440
  218    HG   SER  37           HG       SER  37  -8.004  -6.565  -9.646
  219    H    TYR  38           H        TYR  38  -7.398  -4.482  -7.635
  220    HA   TYR  38           HA       TYR  38  -5.736  -2.335  -7.956
  221   1HB   TYR  38          2HB       TYR  38  -7.934  -1.478  -6.348
  222   2HB   TYR  38          1HB       TYR  38  -6.560  -1.605  -5.272
  223    HD1  TYR  38           1HD      TYR  38  -4.276  -1.046  -6.992
  224    HD2  TYR  38           2HD      TYR  38  -8.144   0.822  -6.811
  225    HE1  TYR  38           1HE      TYR  38  -3.307   1.034  -7.898
  226    HE2  TYR  38           2HE      TYR  38  -7.167   2.917  -7.714
  227    HH   TYR  38           HH       TYR  38  -4.712   3.285  -9.324
  228    HA   PRO  39           HA       PRO  39  -4.403  -4.618  -3.965
  229   1HB   PRO  39          2HB       PRO  39  -6.015  -6.655  -3.106
  230   2HB   PRO  39          1HB       PRO  39  -6.119  -4.993  -2.542
  231   1HG   PRO  39          2HG       PRO  39  -7.929  -6.454  -4.417
  232   2HG   PRO  39          1HG       PRO  39  -8.292  -5.100  -3.331
  233   1HD   PRO  39          2HD       PRO  39  -7.892  -4.926  -6.087
  234   2HD   PRO  39          1HD       PRO  39  -7.874  -3.578  -4.962
  235    H    HIS  40           H        HIS  40  -2.797  -5.471  -5.271
  236    HA   HIS  40           HA       HIS  40  -3.080  -8.361  -5.907
  237   1HB   HIS  40          2HB       HIS  40  -1.577  -7.147  -8.069
  238   2HB   HIS  40          1HB       HIS  40  -3.054  -8.115  -8.146
  239    HD1  HIS  40           1HD      HIS  40  -5.283  -6.915  -8.289
  240    HD2  HIS  40           2HD      HIS  40  -2.024  -4.318  -8.157
  241    HE1  HIS  40           1HE      HIS  40  -6.113  -4.678  -9.056
  242    HE2  HIS  40           2HE      HIS  40  -4.128  -3.161  -9.166
  243    H    LYS  41           H        LYS  41  -0.707  -9.026  -6.852
  244    HA   LYS  41           HA       LYS  41   1.071  -8.402  -4.665
  245   1HB   LYS  41          2HB       LYS  41   1.466 -10.561  -5.332
  246   2HB   LYS  41          1HB       LYS  41   1.156 -10.201  -7.023
  247   1HG   LYS  41          2HG       LYS  41   3.618  -9.140  -5.590
  248   2HG   LYS  41          1HG       LYS  41   3.542 -10.739  -6.288
  249   1HD   LYS  41          2HD       LYS  41   2.569  -9.340  -8.396
  250   2HD   LYS  41          1HD       LYS  41   3.613  -8.116  -7.683
  251   1HE   LYS  41          2HE       LYS  41   5.461  -9.109  -8.354
  252   2HE   LYS  41          1HE       LYS  41   4.962 -10.688  -7.744
  253   1HZ   LYS  41          1HZ       LYS  41   5.216 -10.732 -10.128
  254   2HZ   LYS  41          2HZ       LYS  41   4.109  -9.470 -10.321
  255   3HZ   LYS  41          3HZ       LYS  41   3.590 -10.971  -9.728
  256    H    TYR  42           H        TYR  42   3.171  -7.301  -4.864
  257    HA   TYR  42           HA       TYR  42   3.271  -5.515  -7.240
  258   1HB   TYR  42          2HB       TYR  42   2.530  -4.282  -5.227
  259   2HB   TYR  42          1HB       TYR  42   3.979  -4.813  -4.362
  260    HD1  TYR  42           1HD      TYR  42   5.305  -2.904  -4.057
  261    HD2  TYR  42           2HD      TYR  42   3.516  -3.635  -7.896
  262    HE1  TYR  42           1HE      TYR  42   6.557  -0.987  -5.012
  263    HE2  TYR  42           2HE      TYR  42   4.773  -1.736  -8.850
  264    HH   TYR  42           HH       TYR  42   7.273  -0.484  -7.896
  265    H    ASN  43           H        ASN  43   5.334  -5.079  -8.085
  266    HA   ASN  43           HA       ASN  43   7.573  -6.684  -6.904
  267   1HB   ASN  43          2HB       ASN  43   6.898  -7.577  -9.081
  268   2HB   ASN  43          1HB       ASN  43   7.003  -5.966  -9.803
  269   1HD2  ASN  43          1HD2      ASN  43   8.570  -7.884 -10.965
  270   2HD2  ASN  43          2HD2      ASN  43  10.222  -7.643 -10.520
  271    H    ASN  44           H        ASN  44   7.579  -4.491  -5.656
  272    HA   ASN  44           HA       ASN  44   8.254  -2.023  -6.620
  273   1HB   ASN  44          2HB       ASN  44  10.088  -2.091  -4.637
  274   2HB   ASN  44          1HB       ASN  44   8.354  -2.027  -4.312
  275   1HD2  ASN  44          1HD2      ASN  44   7.838  -3.482  -2.713
  276   2HD2  ASN  44          2HD2      ASN  44   8.594  -5.005  -2.536
  277    H    TYR  45           H        TYR  45  10.103  -0.943  -7.391
  278    HA   TYR  45           HA       TYR  45  12.301  -2.756  -8.357
  279   1HB   TYR  45          2HB       TYR  45  11.187  -0.223  -9.632
  280   2HB   TYR  45          1HB       TYR  45  12.541  -1.179 -10.257
  281    HD1  TYR  45           1HD      TYR  45   8.917  -0.956  -9.922
  282    HD2  TYR  45           2HD      TYR  45  12.189  -3.496 -11.061
  283    HE1  TYR  45           1HE      TYR  45   7.337  -2.458 -11.108
  284    HE2  TYR  45           2HE      TYR  45  10.613  -4.998 -12.247
  285    HH   TYR  45           HH       TYR  45   7.931  -4.399 -13.337
  286    H    GLU  46           H        GLU  46  11.498   0.554  -7.294
  287    HA   GLU  46           HA       GLU  46  13.900   1.786  -7.171
  288   1HB   GLU  46          2HB       GLU  46  11.438   2.145  -5.954
  289   2HB   GLU  46          1HB       GLU  46  12.480   1.878  -4.562
  290   1HG   GLU  46          2HG       GLU  46  13.852   3.628  -6.391
  291   2HG   GLU  46          1HG       GLU  46  12.200   4.205  -6.188
  292    H    GLY  47           H        GLY  47  12.785  -0.601  -4.762
  293   1HA   GLY  47          2HA       GLY  47  14.801  -2.198  -4.239
  294   2HA   GLY  47          1HA       GLY  47  15.568  -0.724  -3.647
  295    H    PHE  48           H        PHE  48  12.217  -1.973  -3.336
  296    HA   PHE  48           HA       PHE  48  12.379  -1.356  -0.422
  297   1HB   PHE  48          2HB       PHE  48  10.060  -2.052  -2.251
  298   2HB   PHE  48          1HB       PHE  48   9.900  -1.784  -0.535
  299    HD1  PHE  48           1HD      PHE  48  10.098  -0.219  -3.749
  300    HD2  PHE  48           2HD      PHE  48  10.685   0.449   0.454
  301    HE1  PHE  48           1HE      PHE  48  10.007   2.216  -4.120
  302    HE2  PHE  48           2HE      PHE  48  10.557   2.859   0.053
  303    HZ   PHE  48           HZ       PHE  48  10.217   3.728  -2.199
  304    H    ASP  49           H        ASP  49  13.650  -3.157   0.269
  305    HA   ASP  49           HA       ASP  49  12.304  -5.818  -0.086
  306   1HB   ASP  49          2HB       ASP  49  15.005  -5.025  -0.576
  307   2HB   ASP  49          1HB       ASP  49  15.045  -6.072   0.840
  308    H    PHE  50           H        PHE  50  10.949  -5.338   1.745
  309    HA   PHE  50           HA       PHE  50  12.179  -4.853   4.368
  310   1HB   PHE  50          2HB       PHE  50   9.350  -5.866   4.028
  311   2HB   PHE  50          1HB       PHE  50  10.001  -4.704   5.196
  312    HD1  PHE  50           1HD      PHE  50   8.283  -5.044   2.130
  313    HD2  PHE  50           2HD      PHE  50  10.948  -2.474   4.235
  314    HE1  PHE  50           1HE      PHE  50   7.599  -3.197   0.646
  315    HE2  PHE  50           2HE      PHE  50  10.287  -0.593   2.757
  316    HZ   PHE  50           HZ       PHE  50   8.609  -0.953   0.965
  317    H    SER  51           H        SER  51  10.910  -6.594   6.085
  318    HA   SER  51           HA       SER  51  12.048  -9.240   5.248
  319   1HB   SER  51          2HB       SER  51  11.638  -7.999   7.984
  320   2HB   SER  51          1HB       SER  51  12.151  -9.672   7.725
  321    HG   SER  51           HG       SER  51  13.530  -7.283   7.149
  322    H    VAL  52           H        VAL  52   9.215  -7.925   4.938
  323    HA   VAL  52           HA       VAL  52   7.515  -9.638   6.575
  324    HB   VAL  52           HB       VAL  52   6.965  -7.853   4.194
  325   1HG1  VAL  52          1HG1      VAL  52   5.054  -9.427   5.943
  326   2HG1  VAL  52          2HG1      VAL  52   5.313  -9.646   4.217
  327   3HG1  VAL  52          3HG1      VAL  52   4.564  -8.175   4.803
  328   1HG2  VAL  52          1HG2      VAL  52   5.781  -6.553   5.978
  329   2HG2  VAL  52          2HG2      VAL  52   7.524  -6.572   6.144
  330   3HG2  VAL  52          3HG2      VAL  52   6.519  -7.594   7.177
  331    H    SER  53           H        SER  53   8.031  -9.442   3.011
  332    HA   SER  53           HA       SER  53   8.384 -12.291   2.757
  333   1HB   SER  53          2HB       SER  53   5.641 -11.271   2.788
  334   2HB   SER  53          1HB       SER  53   5.984 -12.132   1.299
  335    HG   SER  53           HG       SER  53   6.070 -13.062   3.951
  336    H    SER  54           H        SER  54   8.518 -12.939   0.459
  337    HA   SER  54           HA       SER  54   9.771 -10.876  -1.144
  338   1HB   SER  54          2HB       SER  54   8.931 -13.275  -2.648
  339   2HB   SER  54          1HB       SER  54  10.525 -12.614  -2.337
  340    HG   SER  54           HG       SER  54  10.017 -14.719  -1.348
  341    HA   PRO  55           HA       PRO  55   5.859 -11.302  -3.864
  342   1HB   PRO  55          2HB       PRO  55   3.780 -12.790  -2.883
  343   2HB   PRO  55          1HB       PRO  55   5.092 -13.452  -3.854
  344   1HG   PRO  55          2HG       PRO  55   4.627 -13.712  -0.911
  345   2HG   PRO  55          1HG       PRO  55   5.447 -14.828  -2.018
  346   1HD   PRO  55          2HD       PRO  55   6.669 -13.033  -0.253
  347   2HD   PRO  55          1HD       PRO  55   7.460 -13.908  -1.554
  348    H    TYR  56           H        TYR  56   5.859  -9.120  -3.046
  349    HA   TYR  56           HA       TYR  56   4.188  -8.434  -0.742
  350   1HB   TYR  56          2HB       TYR  56   5.622  -6.840  -2.886
  351   2HB   TYR  56          1HB       TYR  56   4.641  -6.063  -1.682
  352    HD1  TYR  56           1HD      TYR  56   5.089  -7.132   0.824
  353    HD2  TYR  56           2HD      TYR  56   7.878  -6.836  -2.422
  354    HE1  TYR  56           1HE      TYR  56   6.971  -7.221   2.425
  355    HE2  TYR  56           2HE      TYR  56   9.765  -6.904  -0.814
  356    HH   TYR  56           HH       TYR  56   9.877  -8.007   1.868
  357    H    TYR  57           H        TYR  57   2.652  -6.363  -1.392
  358    HA   TYR  57           HA       TYR  57   1.122  -6.842  -3.803
  359   1HB   TYR  57          2HB       TYR  57  -0.103  -7.259  -1.064
  360   2HB   TYR  57          1HB       TYR  57  -1.041  -7.191  -2.555
  361    HD1  TYR  57           1HD      TYR  57  -1.192  -9.113  -3.996
  362    HD2  TYR  57           2HD      TYR  57   1.543  -9.098  -0.715
  363    HE1  TYR  57           1HE      TYR  57  -0.769 -11.514  -4.367
  364    HE2  TYR  57           2HE      TYR  57   1.937 -11.526  -1.042
  365    HH   TYR  57           HH       TYR  57   0.286 -13.526  -2.311
  366    H    GLU  58           H        GLU  58   0.208  -4.966  -4.507
  367    HA   GLU  58           HA       GLU  58   0.688  -2.591  -2.788
  368   1HB   GLU  58          2HB       GLU  58   0.219  -1.364  -4.873
  369   2HB   GLU  58          1HB       GLU  58   1.585  -2.437  -5.025
  370   1HG   GLU  58          2HG       GLU  58   0.400  -3.959  -6.334
  371   2HG   GLU  58          1HG       GLU  58  -1.179  -3.362  -5.831
  372    H    TRP  59           H        TRP  59  -0.855  -1.157  -2.207
  373    HA   TRP  59           HA       TRP  59  -3.599  -1.260  -3.150
  374   1HB   TRP  59          2HB       TRP  59  -3.922  -3.022  -1.570
  375   2HB   TRP  59          1HB       TRP  59  -2.883  -2.243  -0.368
  376    HD1  TRP  59           HD       TRP  59  -3.962  -0.572   1.246
  377    HE1  TRP  59           1HE      TRP  59  -6.344   0.330   1.599
  378    HE3  TRP  59           3HE      TRP  59  -6.220  -2.431  -2.945
  379    HZ2  TRP  59           2HZ      TRP  59  -8.868   0.275   0.249
  380    HZ3  TRP  59           3HZ      TRP  59  -8.595  -1.986  -3.348
  381    HH2  TRP  59           HH       TRP  59  -9.936  -0.676  -1.820
  382    HA   PRO  60           HA       PRO  60  -2.725   2.970  -2.015
  383   1HB   PRO  60          2HB       PRO  60  -5.254   3.989  -2.290
  384   2HB   PRO  60          1HB       PRO  60  -4.166   3.641  -3.632
  385   1HG   PRO  60          2HG       PRO  60  -6.499   2.034  -2.661
  386   2HG   PRO  60          1HG       PRO  60  -5.917   2.233  -4.312
  387   1HD   PRO  60          2HD       PRO  60  -5.459   0.032  -2.757
  388   2HD   PRO  60          1HD       PRO  60  -4.464   0.474  -4.109
  389    H    ILE  61           H        ILE  61  -2.861   4.302  -0.240
  390    HA   ILE  61           HA       ILE  61  -4.518   3.285   2.042
  391    HB   ILE  61           HB       ILE  61  -2.292   2.860   2.673
  392   1HG1  ILE  61          2HG1      ILE  61  -1.782   4.468   4.423
  393   2HG1  ILE  61          1HG1      ILE  61  -2.764   5.714   3.657
  394   1HG2  ILE  61          1HG2      ILE  61  -1.640   5.471   1.280
  395   2HG2  ILE  61          2HG2      ILE  61  -1.087   3.848   0.882
  396   3HG2  ILE  61          3HG2      ILE  61  -0.491   4.638   2.325
  397   1HD1  ILE  61          1HD1      ILE  61  -4.274   4.916   5.174
  398   2HD1  ILE  61          2HD1      ILE  61  -3.559   3.332   5.193
  399   3HD1  ILE  61          3HD1      ILE  61  -4.633   3.782   3.906
  400    H    LEU  62           H        LEU  62  -5.809   4.848   3.054
  401    HA   LEU  62           HA       LEU  62  -5.486   7.669   2.098
  402   1HB   LEU  62          2HB       LEU  62  -8.126   6.656   3.099
  403   2HB   LEU  62          1HB       LEU  62  -7.760   7.845   1.839
  404    HG   LEU  62           HG       LEU  62  -7.517   4.824   1.614
  405   1HD1  LEU  62          1HD1      LEU  62  -9.231   4.994   0.002
  406   2HD1  LEU  62          2HD1      LEU  62  -9.112   6.759  -0.076
  407   3HD1  LEU  62          3HD1      LEU  62  -9.778   5.976   1.351
  408   1HD2  LEU  62          1HD2      LEU  62  -7.059   6.069  -0.845
  409   2HD2  LEU  62          2HD2      LEU  62  -5.925   5.177   0.070
  410   3HD2  LEU  62          3HD2      LEU  62  -6.028   6.928   0.235
  411    H    SER  63           H        SER  63  -6.614   9.224   3.702
  412    HA   SER  63           HA       SER  63  -5.911   8.369   6.498
  413   1HB   SER  63          2HB       SER  63  -5.523  10.907   6.802
  414   2HB   SER  63          1HB       SER  63  -4.325  10.035   5.892
  415    HG   SER  63           HG       SER  63  -6.331  11.767   4.963
  416    H    SER  64           H        SER  64  -8.506   8.184   5.031
  417    HA   SER  64           HA       SER  64 -10.101   9.939   6.861
  418   1HB   SER  64          2HB       SER  64  -9.965  10.229   4.119
  419   2HB   SER  64          1HB       SER  64 -11.391   9.222   4.280
  420    HG   SER  64           HG       SER  64 -10.877  11.796   5.308
  421    H    GLY  65           H        GLY  65 -12.579   8.695   5.735
  422   1HA   GLY  65          2HA       GLY  65 -12.288   5.963   6.954
  423   2HA   GLY  65          1HA       GLY  65 -13.686   7.006   7.197
  424    H    ASP  66           H        ASP  66 -11.815   5.495   4.544
  425    HA   ASP  66           HA       ASP  66 -14.204   4.361   3.389
  426   1HB   ASP  66          2HB       ASP  66 -14.305   6.915   2.799
  427   2HB   ASP  66          1HB       ASP  66 -12.989   6.562   1.681
  428    H    VAL  67           H        VAL  67 -13.698   3.079   1.471
  429    HA   VAL  67           HA       VAL  67 -10.814   2.338   1.386
  430    HB   VAL  67           HB       VAL  67 -13.193   0.985   0.057
  431   1HG1  VAL  67          1HG1      VAL  67 -10.939   0.449  -0.845
  432   2HG1  VAL  67          2HG1      VAL  67 -11.681  -0.927  -0.067
  433   3HG1  VAL  67          3HG1      VAL  67 -10.438  -0.019   0.774
  434   1HG2  VAL  67          1HG2      VAL  67 -13.530   1.040   2.473
  435   2HG2  VAL  67          2HG2      VAL  67 -11.876   0.490   2.748
  436   3HG2  VAL  67          3HG2      VAL  67 -13.050  -0.582   1.987
  437    H    TYR  68           H        TYR  68  -9.710   2.165  -0.706
  438    HA   TYR  68           HA       TYR  68 -10.415   4.347  -2.470
  439   1HB   TYR  68          2HB       TYR  68  -8.079   2.893  -1.948
  440   2HB   TYR  68          1HB       TYR  68  -8.458   2.428  -3.611
  441    HD1  TYR  68           1HD      TYR  68  -6.968   3.678  -4.945
  442    HD2  TYR  68           2HD      TYR  68  -9.125   5.638  -1.820
  443    HE1  TYR  68           1HE      TYR  68  -6.092   5.856  -5.699
  444    HE2  TYR  68           2HE      TYR  68  -8.267   7.817  -2.555
  445    HH   TYR  68           HH       TYR  68  -5.870   8.444  -4.090
  446    H    SER  69           H        SER  69 -12.526   3.794  -3.182
  447    HA   SER  69           HA       SER  69 -12.911   1.352  -4.748
  448   1HB   SER  69          2HB       SER  69 -14.831   2.120  -3.559
  449   2HB   SER  69          1HB       SER  69 -14.653   3.754  -4.210
  450    HG   SER  69           HG       SER  69 -15.491   3.117  -6.084
  451    H    GLY  70           H        GLY  70 -11.452   4.316  -5.351
  452   1HA   GLY  70          2HA       GLY  70 -11.138   3.800  -8.150
  453   2HA   GLY  70          1HA       GLY  70 -12.345   5.067  -7.899
  454    H    GLY  71           H        GLY  71 -11.090   6.805  -8.663
  455   1HA   GLY  71          2HA       GLY  71  -9.696   8.655  -8.170
  456   2HA   GLY  71          1HA       GLY  71  -9.022   7.784  -6.793
  457    H    SER  72           H        SER  72  -6.864   8.408  -7.561
  458    HA   SER  72           HA       SER  72  -5.997   6.707  -9.854
  459   1HB   SER  72          2HB       SER  72  -6.015   9.440  -9.926
  460   2HB   SER  72          1HB       SER  72  -4.379   9.142  -9.330
  461    HG   SER  72           HG       SER  72  -4.377   9.100 -11.578
  462    HA   PRO  73           HA       PRO  73  -2.948   5.147  -7.052
  463   1HB   PRO  73          2HB       PRO  73  -1.037   4.391  -8.871
  464   2HB   PRO  73          1HB       PRO  73  -2.528   3.515  -8.618
  465   1HG   PRO  73          2HG       PRO  73  -1.764   5.308 -10.882
  466   2HG   PRO  73          1HG       PRO  73  -2.901   3.947 -10.875
  467   1HD   PRO  73          2HD       PRO  73  -3.574   6.682 -10.794
  468   2HD   PRO  73          1HD       PRO  73  -4.673   5.331 -10.473
  469    H    GLY  74           H        GLY  74  -0.324   5.268  -6.917
  470   1HA   GLY  74          2HA       GLY  74   1.569   6.615  -6.898
  471   2HA   GLY  74          1HA       GLY  74   0.723   7.927  -7.697
  472    H    ALA  75           H        ALA  75   1.811   9.258  -5.968
  473    HA   ALA  75           HA       ALA  75   1.670  10.523  -4.046
  474   1HB   ALA  75          1HB       ALA  75  -1.039   9.171  -3.717
  475   2HB   ALA  75          2HB       ALA  75  -0.720  10.651  -4.592
  476   3HB   ALA  75          3HB       ALA  75  -0.468  10.589  -2.854
  477    H    ASP  76           H        ASP  76  -0.214   7.796  -2.705
  478    HA   ASP  76           HA       ASP  76   2.190   6.960  -1.158
  479   1HB   ASP  76          2HB       ASP  76  -0.549   7.394   0.078
  480   2HB   ASP  76          1HB       ASP  76   0.965   6.998   0.909
  481    H    ARG  77           H        ARG  77   1.994   4.783  -0.293
  482    HA   ARG  77           HA       ARG  77  -0.295   3.143  -0.886
  483   1HB   ARG  77          2HB       ARG  77   1.389   3.604  -3.093
  484   2HB   ARG  77          1HB       ARG  77   1.881   2.014  -2.513
  485   1HG   ARG  77          2HG       ARG  77  -0.182   1.062  -2.860
  486   2HG   ARG  77          1HG       ARG  77  -1.043   2.591  -2.755
  487   1HD   ARG  77          2HD       ARG  77  -0.975   2.868  -4.945
  488   2HD   ARG  77          1HD       ARG  77   0.791   2.788  -4.948
  489    HE   ARG  77           HE       ARG  77  -0.394   0.237  -4.647
  490   1HH1  ARG  77          1HH1      ARG  77  -0.652   1.640  -7.626
  491   2HH1  ARG  77          2HH1      ARG  77   0.760   0.914  -8.318
  492   1HH2  ARG  77          1HH2      ARG  77   1.951  -0.308  -5.295
  493   2HH2  ARG  77          2HH2      ARG  77   2.209  -0.227  -7.001
  494    H    VAL  78           H        VAL  78  -0.184   1.829   0.864
  495    HA   VAL  78           HA       VAL  78   2.462   1.112   1.985
  496    HB   VAL  78           HB       VAL  78   0.621   1.848   3.491
  497   1HG1  VAL  78          1HG1      VAL  78  -0.679  -0.822   2.871
  498   2HG1  VAL  78          2HG1      VAL  78  -1.184   0.667   2.076
  499   3HG1  VAL  78          3HG1      VAL  78  -1.311   0.515   3.817
  500   1HG2  VAL  78          1HG2      VAL  78   1.622  -1.009   3.827
  501   2HG2  VAL  78          2HG2      VAL  78   0.854  -0.056   5.086
  502   3HG2  VAL  78          3HG2      VAL  78   2.370   0.463   4.420
  503    H    VAL  79           H        VAL  79   3.363  -0.907   1.767
  504    HA   VAL  79           HA       VAL  79   1.844  -2.874   0.107
  505    HB   VAL  79           HB       VAL  79   4.777  -2.467   0.718
  506   1HG1  VAL  79          1HG1      VAL  79   4.380  -4.904   0.898
  507   2HG1  VAL  79          2HG1      VAL  79   5.213  -4.511  -0.568
  508   3HG1  VAL  79          3HG1      VAL  79   3.497  -4.859  -0.615
  509   1HG2  VAL  79          1HG2      VAL  79   4.952  -1.934  -1.501
  510   2HG2  VAL  79          2HG2      VAL  79   3.281  -1.429  -1.241
  511   3HG2  VAL  79          3HG2      VAL  79   3.620  -2.965  -1.994
  512    H    PHE  80           H        PHE  80   2.120  -5.149   0.645
  513    HA   PHE  80           HA       PHE  80   2.783  -5.873   3.379
  514   1HB   PHE  80          2HB       PHE  80   0.498  -6.508   4.002
  515   2HB   PHE  80          1HB       PHE  80   0.555  -4.797   3.593
  516    HD1  PHE  80           1HD      PHE  80  -0.056  -4.102   1.176
  517    HD2  PHE  80           2HD      PHE  80  -1.010  -7.922   2.895
  518    HE1  PHE  80           1HE      PHE  80  -1.801  -4.434  -0.541
  519    HE2  PHE  80           2HE      PHE  80  -2.769  -8.252   1.176
  520    HZ   PHE  80           HZ       PHE  80  -3.164  -6.507  -0.543
  521    H    ASN  81           H        ASN  81   1.468  -8.322   3.513
  522    HA   ASN  81           HA       ASN  81   2.238  -9.634   0.934
  523   1HB   ASN  81          2HB       ASN  81   3.438 -11.308   2.031
  524   2HB   ASN  81          1HB       ASN  81   3.893  -9.853   2.905
  525   1HD2  ASN  81          1HD2      ASN  81   2.769  -9.464   5.011
  526   2HD2  ASN  81          2HD2      ASN  81   2.157 -10.826   5.859
  527    H    GLU  82           H        GLU  82   0.363  -9.963   3.923
  528    HA   GLU  82           HA       GLU  82  -2.046 -10.678   2.875
  529   1HB   GLU  82          2HB       GLU  82  -0.072 -12.901   2.573
  530   2HB   GLU  82          1HB       GLU  82  -1.563 -13.365   3.360
  531   1HG   GLU  82          2HG       GLU  82  -2.484 -11.807   1.233
  532   2HG   GLU  82          1HG       GLU  82  -1.102 -12.677   0.558
  533    H    ASN  83           H        ASN  83   0.359 -11.284   5.303
  534    HA   ASN  83           HA       ASN  83  -1.646 -12.066   7.277
  535   1HB   ASN  83          2HB       ASN  83   1.204 -12.446   6.989
  536   2HB   ASN  83          1HB       ASN  83   0.914 -11.563   8.485
  537   1HD2  ASN  83          1HD2      ASN  83   1.848 -14.190   8.599
  538   2HD2  ASN  83          2HD2      ASN  83   0.579 -15.173   9.236
  539    H    ASN  84           H        ASN  84  -0.706  -9.214   5.920
  540    HA   ASN  84           HA       ASN  84  -1.008  -7.032   6.534
  541   1HB   ASN  84          2HB       ASN  84  -3.159  -7.739   7.438
  542   2HB   ASN  84          1HB       ASN  84  -2.406  -8.294   8.928
  543   1HD2  ASN  84          1HD2      ASN  84  -2.731  -6.848  10.570
  544   2HD2  ASN  84          2HD2      ASN  84  -2.748  -5.133  10.367
  545    H    GLN  85           H        GLN  85   1.381  -8.587   7.346
  546    HA   GLN  85           HA       GLN  85   2.182  -7.706  10.006
  547   1HB   GLN  85          2HB       GLN  85   4.232  -8.267   7.870
  548   2HB   GLN  85          1HB       GLN  85   4.218  -8.739   9.571
  549   1HG   GLN  85          2HG       GLN  85   1.981 -10.036   8.420
  550   2HG   GLN  85          1HG       GLN  85   3.288 -10.168   7.253
  551   1HE2  GLN  85          1HE2      GLN  85   3.271 -10.209  10.838
  552   2HE2  GLN  85          2HE2      GLN  85   4.100 -11.719  10.928
  553    H    LEU  86           H        LEU  86   2.224  -6.414   6.766
  554    HA   LEU  86           HA       LEU  86   2.382  -4.204   6.168
  555   1HB   LEU  86          2HB       LEU  86   2.182  -3.771   8.800
  556   2HB   LEU  86          1HB       LEU  86   3.912  -3.413   8.655
  557    HG   LEU  86           HG       LEU  86   2.561  -1.374   8.394
  558   1HD1  LEU  86          1HD1      LEU  86   4.703  -1.887   6.992
  559   2HD1  LEU  86          2HD1      LEU  86   3.666  -0.554   6.508
  560   3HD1  LEU  86          3HD1      LEU  86   3.572  -2.075   5.648
  561   1HD2  LEU  86          1HD2      LEU  86   0.616  -2.804   7.364
  562   2HD2  LEU  86          2HD2      LEU  86   1.414  -2.463   5.825
  563   3HD2  LEU  86          3HD2      LEU  86   0.856  -1.145   6.850
  564    H    ALA  87           H        ALA  87   3.830  -4.042   4.570
  565    HA   ALA  87           HA       ALA  87   6.627  -4.915   4.975
  566   1HB   ALA  87          1HB       ALA  87   6.578  -5.284   2.790
  567   2HB   ALA  87          2HB       ALA  87   5.969  -3.699   2.390
  568   3HB   ALA  87          3HB       ALA  87   4.875  -4.995   2.840
  569    H    GLY  88           H        GLY  88   4.860  -1.958   4.073
  570   1HA   GLY  88          2HA       GLY  88   6.390  -0.133   5.510
  571   2HA   GLY  88          1HA       GLY  88   7.270  -0.326   3.991
  572    H    VAL  89           H        VAL  89   6.723   1.962   3.562
  573    HA   VAL  89           HA       VAL  89   4.025   2.154   2.308
  574    HB   VAL  89           HB       VAL  89   5.191   4.327   4.067
  575   1HG1  VAL  89          1HG1      VAL  89   2.500   3.970   2.701
  576   2HG1  VAL  89          2HG1      VAL  89   3.733   5.159   2.280
  577   3HG1  VAL  89          3HG1      VAL  89   2.899   5.272   3.823
  578   1HG2  VAL  89          1HG2      VAL  89   4.496   2.368   5.415
  579   2HG2  VAL  89          2HG2      VAL  89   2.973   2.344   4.589
  580   3HG2  VAL  89          3HG2      VAL  89   3.345   3.673   5.630
  581    H    ILE  90           H        ILE  90   4.806   2.208   0.267
  582    HA   ILE  90           HA       ILE  90   7.097   3.869  -0.526
  583    HB   ILE  90           HB       ILE  90   6.396   3.118  -2.795
  584   1HG1  ILE  90          2HG1      ILE  90   3.923   2.680  -1.740
  585   2HG1  ILE  90          1HG1      ILE  90   4.495   1.919  -3.201
  586   1HG2  ILE  90          1HG2      ILE  90   6.899   1.019  -0.715
  587   2HG2  ILE  90          2HG2      ILE  90   8.057   1.930  -1.605
  588   3HG2  ILE  90          3HG2      ILE  90   7.092   0.764  -2.453
  589   1HD1  ILE  90          1HD1      ILE  90   5.102  -0.056  -2.100
  590   2HD1  ILE  90          2HD1      ILE  90   3.506   0.376  -1.525
  591   3HD1  ILE  90          3HD1      ILE  90   4.893   0.628  -0.487
  592    H    THR  91           H        THR  91   6.904   5.847  -1.706
  593    HA   THR  91           HA       THR  91   4.114   6.880  -1.995
  594    HB   THR  91           HB       THR  91   5.150   7.825   0.017
  595    HG1  THR  91           1HG      THR  91   5.033  10.106  -0.775
  596   1HG2  THR  91          1HG2      THR  91   7.485   7.869  -1.594
  597   2HG2  THR  91          2HG2      THR  91   7.327   8.319   0.062
  598   3HG2  THR  91          3HG2      THR  91   7.107   9.529  -1.186
  599    H    HIS  92           H        HIS  92   3.678   7.782  -3.914
  600    HA   HIS  92           HA       HIS  92   5.840   8.023  -5.910
  601   1HB   HIS  92          2HB       HIS  92   2.956   7.623  -5.889
  602   2HB   HIS  92          1HB       HIS  92   3.432   8.690  -7.191
  603    HD1  HIS  92           1HD      HIS  92   5.767   6.023  -6.063
  604    HD2  HIS  92           2HD      HIS  92   2.943   6.601  -9.063
  605    HE1  HIS  92           1HE      HIS  92   6.109   4.177  -7.732
  606    HE2  HIS  92           2HE      HIS  92   4.161   4.315  -9.340
  607    H    THR  93           H        THR  93   6.790   9.946  -4.828
  608    HA   THR  93           HA       THR  93   5.913  12.357  -6.114
  609    HB   THR  93           HB       THR  93   5.072  11.955  -3.229
  610    HG1  THR  93           1HG      THR  93   3.124  12.512  -4.053
  611   1HG2  THR  93          1HG2      THR  93   4.566  14.485  -3.380
  612   2HG2  THR  93          2HG2      THR  93   5.797  14.530  -4.637
  613   3HG2  THR  93          3HG2      THR  93   6.213  13.995  -3.003
  614    H    GLY  94           H        GLY  94   7.868  13.326  -6.427
  615   1HA   GLY  94          2HA       GLY  94   9.688  14.606  -5.353
  616   2HA   GLY  94          1HA       GLY  94   9.843  13.333  -4.150
  617    H    ALA  95           H        ALA  95   9.244  11.880  -7.128
  618    HA   ALA  95           HA       ALA  95  12.106  11.864  -7.939
  619   1HB   ALA  95          1HB       ALA  95  11.828  10.011  -6.320
  620   2HB   ALA  95          2HB       ALA  95  12.170   9.419  -7.944
  621   3HB   ALA  95          3HB       ALA  95  10.524   9.350  -7.308
  622    H    SER  96           H        SER  96  12.378  11.357 -10.143
  623    HA   SER  96           HA       SER  96  10.427  12.053 -11.975
  624   1HB   SER  96          2HB       SER  96  12.666  10.023 -12.232
  625   2HB   SER  96          1HB       SER  96  11.676  10.514 -13.613
  626    HG   SER  96           HG       SER  96  13.474  12.050 -12.083
  627    H    GLY  97           H        GLY  97   8.717  10.953 -13.052
  628   1HA   GLY  97          2HA       GLY  97   6.953   9.400 -13.140
  629   2HA   GLY  97          1HA       GLY  97   8.237   8.187 -13.094
  630    H    ASN  98           H        ASN  98   7.470  10.571 -10.581
  631    HA   ASN  98           HA       ASN  98   7.287  10.196  -8.285
  632   1HB   ASN  98          2HB       ASN  98   5.055   8.322  -8.829
  633   2HB   ASN  98          1HB       ASN  98   5.082   9.793  -7.902
  634   1HD2  ASN  98          1HD2      ASN  98   4.425   8.417 -11.002
  635   2HD2  ASN  98          2HD2      ASN  98   3.910   9.898 -11.730
  636    H    ASN  99           H        ASN  99   9.290   8.473  -9.228
  637    HA   ASN  99           HA       ASN  99   8.961   5.742  -8.843
  638   1HB   ASN  99          2HB       ASN  99  11.193   7.622  -8.767
  639   2HB   ASN  99          1HB       ASN  99  11.432   6.371  -7.548
  640   1HD2  ASN  99          1HD2      ASN  99  12.878   6.743 -10.115
  641   2HD2  ASN  99          2HD2      ASN  99  12.636   5.261 -10.967
  642    H    PHE 100           H        PHE 100   8.547   4.421  -7.085
  643    HA   PHE 100           HA       PHE 100   7.552   5.579  -4.686
  644   1HB   PHE 100          2HB       PHE 100   8.485   2.782  -5.384
  645   2HB   PHE 100          1HB       PHE 100   7.936   3.160  -3.758
  646    HD1  PHE 100           1HD      PHE 100   5.697   4.890  -3.991
  647    HD2  PHE 100           2HD      PHE 100   6.846   1.656  -6.552
  648    HE1  PHE 100           1HE      PHE 100   3.341   4.635  -4.713
  649    HE2  PHE 100           2HE      PHE 100   4.483   1.387  -7.280
  650    HZ   PHE 100           HZ       PHE 100   2.733   2.882  -6.360
  651    H    VAL 101           H        VAL 101   8.497   6.149  -2.801
  652    HA   VAL 101           HA       VAL 101  11.336   5.351  -2.302
  653    HB   VAL 101           HB       VAL 101  11.443   7.876  -1.372
  654   1HG1  VAL 101          1HG1      VAL 101  11.825   7.009  -4.257
  655   2HG1  VAL 101          2HG1      VAL 101  13.014   6.949  -2.955
  656   3HG1  VAL 101          3HG1      VAL 101  12.465   8.502  -3.565
  657   1HG2  VAL 101          1HG2      VAL 101   9.500   8.027  -3.710
  658   2HG2  VAL 101          2HG2      VAL 101  10.286   9.386  -2.922
  659   3HG2  VAL 101          3HG2      VAL 101   9.158   8.407  -2.036
  660    H    GLU 102           H        GLU 102  11.572   4.692  -0.220
  661    HA   GLU 102           HA       GLU 102   9.360   4.334   1.487
  662   1HB   GLU 102          2HB       GLU 102  10.975   3.817   3.239
  663   2HB   GLU 102          1HB       GLU 102  11.543   3.147   1.714
  664   1HG   GLU 102          2HG       GLU 102  12.638   5.728   1.720
  665   2HG   GLU 102          1HG       GLU 102  12.740   5.208   3.414
  666    H    CYS 103           H        CYS 103   8.127   5.972   2.277
  667    HA   CYS 103           HA       CYS 103   8.912   8.669   2.504
  668   1HB   CYS 103          2HB       CYS 103   6.628   7.022   3.371
  669   2HB   CYS 103          1HB       CYS 103   6.963   8.331   4.514
  670    H    THR 104           H        THR 104   9.656   9.945   4.248
  671    HA   THR 104           HA       THR 104  10.571   8.450   6.681
  672    HB   THR 104           HB       THR 104  12.716   9.705   6.577
  673    HG1  THR 104           1HG      THR 104  11.832  10.541   3.980
  674   1HG2  THR 104          1HG2      THR 104  12.367   7.416   5.474
  675   2HG2  THR 104          2HG2      THR 104  13.739   8.369   4.912
  676   3HG2  THR 104          3HG2      THR 104  12.269   8.303   3.952
  Start of MODEL   20
    1   1H    ALA   1          1HT       ALA   1  -2.564  11.460  15.941
    2   2H    ALA   1          2HT       ALA   1  -1.671  12.851  15.466
    3   3H    ALA   1          3HT       ALA   1  -1.886  12.499  17.128
    4    HA   ALA   1           HA       ALA   1   0.327  11.939  16.425
    5   1HB   ALA   1          1HB       ALA   1  -1.437   9.528  16.962
    6   2HB   ALA   1          2HB       ALA   1  -0.752  10.600  18.182
    7   3HB   ALA   1          3HB       ALA   1   0.313   9.596  17.200
    8    H    CYS   2           H        CYS   2   1.676  10.558  15.065
    9    HA   CYS   2           HA       CYS   2   0.832   8.757  13.153
   10   1HB   CYS   2          2HB       CYS   2   0.927  10.382  11.064
   11   2HB   CYS   2          1HB       CYS   2  -0.563  10.201  11.985
   12    H    ASP   3           H        ASP   3   2.550   8.025  11.873
   13    HA   ASP   3           HA       ASP   3   5.117   9.548  12.186
   14   1HB   ASP   3          2HB       ASP   3   4.752   7.239  13.410
   15   2HB   ASP   3          1HB       ASP   3   5.014   6.545  11.805
   16    H    TYR   4           H        TYR   4   2.967   7.762  10.048
   17    HA   TYR   4           HA       TYR   4   4.894   7.907   7.824
   18   1HB   TYR   4          2HB       TYR   4   2.126   6.741   8.213
   19   2HB   TYR   4          1HB       TYR   4   2.760   6.977   6.577
   20    HD1  TYR   4           1HD      TYR   4   2.461   4.602   9.051
   21    HD2  TYR   4           2HD      TYR   4   5.394   6.273   6.400
   22    HE1  TYR   4           1HE      TYR   4   3.791   2.515   9.215
   23    HE2  TYR   4           2HE      TYR   4   6.729   4.189   6.561
   24    HH   TYR   4           HH       TYR   4   6.780   2.165   8.648
   25    H    THR   5           H        THR   5   5.115   9.855   6.855
   26    HA   THR   5           HA       THR   5   2.625  11.332   6.117
   27    HB   THR   5           HB       THR   5   5.071  12.572   7.444
   28    HG1  THR   5           1HG      THR   5   3.782  11.780   9.032
   29   1HG2  THR   5          1HG2      THR   5   3.021  13.673   5.702
   30   2HG2  THR   5          2HG2      THR   5   4.488  14.407   6.301
   31   3HG2  THR   5          3HG2      THR   5   3.022  14.448   7.273
   32    H    CYS   6           H        CYS   6   2.701  11.611   3.938
   33    HA   CYS   6           HA       CYS   6   5.398  11.943   2.661
   34   1HB   CYS   6          2HB       CYS   6   2.876  10.622   1.682
   35   2HB   CYS   6          1HB       CYS   6   4.229  10.974   0.617
   36    H    GLY   7           H        GLY   7   3.233  13.787   3.731
   37   1HA   GLY   7          2HA       GLY   7   3.671  15.995   2.111
   38   2HA   GLY   7          1HA       GLY   7   2.211  15.245   1.457
   39    H    SER   8           H        SER   8   3.545  15.990   4.705
   40    HA   SER   8           HA       SER   8   2.518  16.958   6.552
   41   1HB   SER   8          2HB       SER   8   1.246  18.275   4.216
   42   2HB   SER   8          1HB       SER   8   0.257  18.300   5.669
   43    HG   SER   8           HG       SER   8   2.823  19.363   5.243
   44    H    ASN   9           H        ASN   9   1.494  14.351   5.143
   45    HA   ASN   9           HA       ASN   9  -1.270  14.189   6.021
   46   1HB   ASN   9          2HB       ASN   9   0.674  12.090   4.990
   47   2HB   ASN   9          1HB       ASN   9  -1.037  11.791   5.324
   48   1HD2  ASN   9          1HD2      ASN   9   1.101  13.740   3.297
   49   2HD2  ASN   9          2HD2      ASN   9  -0.035  14.041   2.062
   50    H    CYS  10           H        CYS  10  -1.946  13.459   7.993
   51    HA   CYS  10           HA       CYS  10   0.153  12.615   9.905
   52   1HB   CYS  10          2HB       CYS  10  -1.372  14.471  10.576
   53   2HB   CYS  10          1HB       CYS  10  -2.757  13.380  10.402
   54    H    TYR  11           H        TYR  11  -0.092  10.573   8.291
   55    HA   TYR  11           HA       TYR  11  -2.341   8.810   8.985
   56   1HB   TYR  11          2HB       TYR  11   0.200   8.437   7.354
   57   2HB   TYR  11          1HB       TYR  11  -0.946   7.127   7.632
   58    HD1  TYR  11           1HD      TYR  11  -0.989   7.195   5.044
   59    HD2  TYR  11           2HD      TYR  11  -2.593  10.323   7.520
   60    HE1  TYR  11           1HE      TYR  11  -2.387   8.007   3.162
   61    HE2  TYR  11           2HE      TYR  11  -3.948  11.128   5.667
   62    HH   TYR  11           HH       TYR  11  -3.518  10.629   2.676
   63    H    SER  12           H        SER  12  -2.371   7.444  10.691
   64    HA   SER  12           HA       SER  12  -0.004   7.341  12.425
   65   1HB   SER  12          2HB       SER  12  -2.629   7.413  13.011
   66   2HB   SER  12          1HB       SER  12  -2.391   5.672  13.058
   67    HG   SER  12           HG       SER  12  -1.915   6.484  15.074
   68    H    SER  13           H        SER  13   1.314   5.578  12.745
   69    HA   SER  13           HA       SER  13   1.556   3.613  10.723
   70   1HB   SER  13          2HB       SER  13   2.556   2.410  13.083
   71   2HB   SER  13          1HB       SER  13   3.462   3.356  11.899
   72    HG   SER  13           HG       SER  13   3.684   4.295  13.931
   73    H    SER  14           H        SER  14  -0.666   3.860  13.361
   74    HA   SER  14           HA       SER  14  -1.363   1.006  13.325
   75   1HB   SER  14          2HB       SER  14  -1.388   2.686  15.359
   76   2HB   SER  14          1HB       SER  14  -2.977   3.133  14.732
   77    HG   SER  14           HG       SER  14  -3.244   1.433  16.157
   78    H    ASP  15           H        ASP  15  -2.535   4.078  12.064
   79    HA   ASP  15           HA       ASP  15  -5.115   3.078  11.237
   80   1HB   ASP  15          2HB       ASP  15  -3.500   5.572  10.840
   81   2HB   ASP  15          1HB       ASP  15  -4.695   5.218   9.589
   82    H    VAL  16           H        VAL  16  -1.911   3.319   9.821
   83    HA   VAL  16           HA       VAL  16  -2.580   2.721   7.133
   84    HB   VAL  16           HB       VAL  16  -0.105   1.580   8.470
   85   1HG1  VAL  16          1HG1      VAL  16  -0.634   2.875   5.768
   86   2HG1  VAL  16          2HG1      VAL  16  -0.496   1.141   6.063
   87   3HG1  VAL  16          3HG1      VAL  16   0.901   2.187   6.305
   88   1HG2  VAL  16          1HG2      VAL  16   0.113   3.661   9.351
   89   2HG2  VAL  16          2HG2      VAL  16  -0.898   4.457   8.158
   90   3HG2  VAL  16          3HG2      VAL  16   0.762   4.014   7.774
   91    H    SER  17           H        SER  17  -2.191   0.660   9.985
   92    HA   SER  17           HA       SER  17  -2.176  -1.864   8.728
   93   1HB   SER  17          2HB       SER  17  -2.084  -1.073  11.301
   94   2HB   SER  17          1HB       SER  17  -3.776  -1.577  11.246
   95    HG   SER  17           HG       SER  17  -2.189  -3.253  11.775
   96    H    THR  18           H        THR  18  -4.907   0.241   9.634
   97    HA   THR  18           HA       THR  18  -6.951  -1.627   8.863
   98    HB   THR  18           HB       THR  18  -7.705   1.198   8.461
   99    HG1  THR  18           1HG      THR  18  -7.049   1.990  10.383
  100   1HG2  THR  18          1HG2      THR  18  -9.267  -0.629   8.995
  101   2HG2  THR  18          2HG2      THR  18  -9.307   0.643  10.215
  102   3HG2  THR  18          3HG2      THR  18  -8.456  -0.864  10.548
  103    H    ALA  19           H        ALA  19  -5.660   1.246   7.167
  104    HA   ALA  19           HA       ALA  19  -6.989   0.579   4.673
  105   1HB   ALA  19          1HB       ALA  19  -5.193   2.272   3.784
  106   2HB   ALA  19          2HB       ALA  19  -4.851   2.503   5.505
  107   3HB   ALA  19          3HB       ALA  19  -6.456   2.843   4.876
  108    H    GLN  20           H        GLN  20  -4.401  -0.867   6.259
  109    HA   GLN  20           HA       GLN  20  -3.053  -1.627   3.778
  110   1HB   GLN  20          2HB       GLN  20  -1.628  -0.841   5.654
  111   2HB   GLN  20          1HB       GLN  20  -2.273  -2.135   6.672
  112   1HG   GLN  20          2HG       GLN  20  -0.087  -2.698   5.736
  113   2HG   GLN  20          1HG       GLN  20  -1.302  -3.809   5.145
  114   1HE2  GLN  20          1HE2      GLN  20  -2.231  -3.171   2.895
  115   2HE2  GLN  20          2HE2      GLN  20  -1.222  -2.276   1.847
  116    H    ALA  21           H        ALA  21  -5.487  -2.680   5.850
  117    HA   ALA  21           HA       ALA  21  -4.991  -5.569   5.282
  118   1HB   ALA  21          1HB       ALA  21  -7.214  -4.547   7.020
  119   2HB   ALA  21          2HB       ALA  21  -5.582  -4.567   7.654
  120   3HB   ALA  21          3HB       ALA  21  -6.320  -6.062   7.105
  121    H    ALA  22           H        ALA  22  -6.710  -2.880   4.111
  122    HA   ALA  22           HA       ALA  22  -9.091  -4.360   3.257
  123   1HB   ALA  22          1HB       ALA  22  -9.677  -2.286   2.114
  124   2HB   ALA  22          2HB       ALA  22  -8.065  -1.631   2.408
  125   3HB   ALA  22          3HB       ALA  22  -9.156  -1.934   3.759
  126    H    GLY  23           H        GLY  23  -6.013  -3.258   1.841
  127   1HA   GLY  23          2HA       GLY  23  -6.666  -4.076  -0.863
  128   2HA   GLY  23          1HA       GLY  23  -5.065  -3.725  -0.239
  129    H    TYR  24           H        TYR  24  -5.974  -5.821   1.978
  130    HA   TYR  24           HA       TYR  24  -4.838  -8.127   0.497
  131   1HB   TYR  24          2HB       TYR  24  -3.579  -7.716   2.448
  132   2HB   TYR  24          1HB       TYR  24  -5.003  -7.324   3.401
  133    HD1  TYR  24           1HD      TYR  24  -3.535 -10.159   1.433
  134    HD2  TYR  24           2HD      TYR  24  -5.837  -8.938   4.848
  135    HE1  TYR  24           1HE      TYR  24  -3.637 -12.514   2.204
  136    HE2  TYR  24           2HE      TYR  24  -5.942 -11.292   5.621
  137    HH   TYR  24           HH       TYR  24  -5.639 -13.788   4.038
  138    H    GLN  25           H        GLN  25  -7.469  -7.351   2.806
  139    HA   GLN  25           HA       GLN  25  -8.739  -9.851   2.801
  140   1HB   GLN  25          2HB       GLN  25  -9.318  -7.423   3.919
  141   2HB   GLN  25          1HB       GLN  25 -10.563  -7.478   2.665
  142   1HG   GLN  25          2HG       GLN  25 -10.871  -9.971   3.624
  143   2HG   GLN  25          1HG       GLN  25 -10.169  -9.215   5.064
  144   1HE2  GLN  25          1HE2      GLN  25 -13.060  -9.597   3.267
  145   2HE2  GLN  25          2HE2      GLN  25 -13.989  -8.428   4.137
  146    H    LEU  26           H        LEU  26  -8.965  -7.221   0.439
  147    HA   LEU  26           HA       LEU  26 -10.952  -8.641  -1.158
  148   1HB   LEU  26          2HB       LEU  26  -9.920  -5.978  -1.009
  149   2HB   LEU  26          1HB       LEU  26  -9.513  -6.558  -2.622
  150    HG   LEU  26           HG       LEU  26 -11.731  -5.472  -2.592
  151   1HD1  LEU  26          1HD1      LEU  26 -12.110  -8.454  -2.944
  152   2HD1  LEU  26          2HD1      LEU  26 -11.136  -7.481  -4.039
  153   3HD1  LEU  26          3HD1      LEU  26 -12.837  -7.101  -3.812
  154   1HD2  LEU  26          1HD2      LEU  26 -13.517  -6.265  -1.283
  155   2HD2  LEU  26          2HD2      LEU  26 -12.167  -6.210  -0.159
  156   3HD2  LEU  26          3HD2      LEU  26 -12.690  -7.751  -0.839
  157    H    HIS  27           H        HIS  27  -7.494  -7.932  -1.404
  158    HA   HIS  27           HA       HIS  27  -6.878  -9.010  -3.868
  159   1HB   HIS  27          2HB       HIS  27  -4.807  -8.545  -3.054
  160   2HB   HIS  27          1HB       HIS  27  -5.447  -8.478  -1.422
  161    HD1  HIS  27           1HD      HIS  27  -5.742 -10.979  -0.249
  162    HD2  HIS  27           2HD      HIS  27  -3.048 -10.565  -3.347
  163    HE1  HIS  27           1HE      HIS  27  -4.269 -13.023  -0.166
  164    HE2  HIS  27           2HE      HIS  27  -2.731 -12.847  -2.162
  165    H    GLU  28           H        GLU  28  -7.566 -10.831  -0.891
  166    HA   GLU  28           HA       GLU  28  -7.124 -13.360  -2.356
  167   1HB   GLU  28          2HB       GLU  28  -6.336 -12.955   0.085
  168   2HB   GLU  28          1HB       GLU  28  -8.014 -13.064   0.525
  169   1HG   GLU  28          2HG       GLU  28  -7.181 -15.239   0.806
  170   2HG   GLU  28          1HG       GLU  28  -8.055 -15.307  -0.727
  171    H    ASP  29           H        ASP  29  -9.711 -11.542  -0.742
  172    HA   ASP  29           HA       ASP  29 -11.787 -13.389  -0.924
  173   1HB   ASP  29          2HB       ASP  29 -12.091 -11.114   0.009
  174   2HB   ASP  29          1HB       ASP  29 -11.934 -10.422  -1.610
  175    H    GLY  30           H        GLY  30 -10.024 -11.776  -3.480
  176   1HA   GLY  30          2HA       GLY  30  -9.969 -12.367  -5.737
  177   2HA   GLY  30          1HA       GLY  30 -11.294 -13.499  -5.471
  178    H    GLU  31           H        GLU  31 -11.855 -10.342  -4.205
  179    HA   GLU  31           HA       GLU  31 -13.715  -9.818  -6.483
  180   1HB   GLU  31          2HB       GLU  31 -13.779  -9.331  -3.561
  181   2HB   GLU  31          1HB       GLU  31 -14.427  -8.013  -4.517
  182   1HG   GLU  31          2HG       GLU  31 -15.265 -10.820  -5.171
  183   2HG   GLU  31          1HG       GLU  31 -15.935 -10.019  -3.744
  184    H    THR  32           H        THR  32 -14.064  -7.114  -6.296
  185    HA   THR  32           HA       THR  32 -11.331  -5.942  -6.449
  186    HB   THR  32           HB       THR  32 -13.152  -4.921  -8.537
  187    HG1  THR  32           1HG      THR  32 -13.370  -6.761  -9.689
  188   1HG2  THR  32          1HG2      THR  32 -10.397  -5.204  -8.073
  189   2HG2  THR  32          2HG2      THR  32 -11.202  -4.575  -9.517
  190   3HG2  THR  32          3HG2      THR  32 -10.757  -6.271  -9.428
  191    H    VAL  33           H        VAL  33 -11.610  -3.467  -6.810
  192    HA   VAL  33           HA       VAL  33 -13.340  -2.527  -4.620
  193    HB   VAL  33           HB       VAL  33 -12.279  -0.270  -5.221
  194   1HG1  VAL  33          1HG1      VAL  33 -10.084  -0.900  -4.361
  195   2HG1  VAL  33          2HG1      VAL  33 -10.414  -2.599  -4.714
  196   3HG1  VAL  33          3HG1      VAL  33 -11.358  -1.750  -3.488
  197   1HG2  VAL  33          1HG2      VAL  33 -10.728  -0.098  -6.922
  198   2HG2  VAL  33          2HG2      VAL  33 -11.849  -1.224  -7.663
  199   3HG2  VAL  33          3HG2      VAL  33 -10.374  -1.816  -6.926
  200    H    GLY  34           H        GLY  34 -14.090   0.042  -5.611
  201   1HA   GLY  34          2HA       GLY  34 -16.591  -0.188  -6.573
  202   2HA   GLY  34          1HA       GLY  34 -15.551   1.128  -7.111
  203    H    SER  35           H        SER  35 -13.843   0.144  -8.823
  204    HA   SER  35           HA       SER  35 -14.680  -1.949 -10.568
  205   1HB   SER  35          2HB       SER  35 -15.314   0.084 -12.399
  206   2HB   SER  35          1HB       SER  35 -16.457  -0.967 -11.567
  207    HG   SER  35           HG       SER  35 -16.833   1.327 -11.294
  208    H    ASN  36           H        ASN  36 -12.264  -0.592  -9.473
  209    HA   ASN  36           HA       ASN  36 -10.814  -0.277 -12.055
  210   1HB   ASN  36          2HB       ASN  36 -11.070   1.644  -9.792
  211   2HB   ASN  36          1HB       ASN  36  -9.415   1.382 -10.351
  212   1HD2  ASN  36          1HD2      ASN  36  -9.381   1.280 -12.957
  213   2HD2  ASN  36          2HD2      ASN  36 -10.215   2.607 -13.683
  214    H    SER  37           H        SER  37 -11.180  -2.191  -9.457
  215    HA   SER  37           HA       SER  37  -9.772  -3.555  -8.240
  216   1HB   SER  37          2HB       SER  37  -9.375  -3.963 -10.936
  217   2HB   SER  37          1HB       SER  37  -7.726  -3.635 -10.394
  218    HG   SER  37           HG       SER  37  -8.221  -5.846 -10.208
  219    H    TYR  38           H        TYR  38  -7.139  -3.914  -7.960
  220    HA   TYR  38           HA       TYR  38  -5.374  -1.843  -8.030
  221   1HB   TYR  38          2HB       TYR  38  -7.527  -1.039  -6.290
  222   2HB   TYR  38          1HB       TYR  38  -6.104  -1.296  -5.306
  223    HD1  TYR  38           1HD      TYR  38  -7.717   1.132  -7.154
  224    HD2  TYR  38           2HD      TYR  38  -3.815  -0.538  -6.512
  225    HE1  TYR  38           1HE      TYR  38  -6.683   3.244  -7.940
  226    HE2  TYR  38           2HE      TYR  38  -2.789   1.562  -7.293
  227    HH   TYR  38           HH       TYR  38  -3.991   3.698  -9.061
  228    HA   PRO  39           HA       PRO  39  -4.247  -4.562  -4.251
  229   1HB   PRO  39          2HB       PRO  39  -5.957  -6.615  -3.649
  230   2HB   PRO  39          1HB       PRO  39  -6.002  -5.015  -2.913
  231   1HG   PRO  39          2HG       PRO  39  -7.826  -6.178  -4.977
  232   2HG   PRO  39          1HG       PRO  39  -8.167  -4.953  -3.741
  233   1HD   PRO  39          2HD       PRO  39  -7.694  -4.483  -6.445
  234   2HD   PRO  39          1HD       PRO  39  -7.667  -3.244  -5.187
  235    H    HIS  40           H        HIS  40  -2.649  -5.299  -5.609
  236    HA   HIS  40           HA       HIS  40  -2.968  -8.097  -6.575
  237   1HB   HIS  40          2HB       HIS  40  -1.286  -6.696  -8.473
  238   2HB   HIS  40          1HB       HIS  40  -2.785  -7.583  -8.766
  239    HD1  HIS  40           1HD      HIS  40  -4.998  -6.256  -8.759
  240    HD2  HIS  40           2HD      HIS  40  -1.595  -3.912  -8.462
  241    HE1  HIS  40           1HE      HIS  40  -5.690  -3.916  -9.334
  242    HE2  HIS  40           2HE      HIS  40  -3.617  -2.507  -9.297
  243    H    LYS  41           H        LYS  41  -0.529  -8.766  -7.341
  244    HA   LYS  41           HA       LYS  41   1.014  -8.458  -4.940
  245   1HB   LYS  41          2HB       LYS  41   2.468 -10.028  -5.799
  246   2HB   LYS  41          1HB       LYS  41   1.005 -10.398  -6.704
  247   1HG   LYS  41          2HG       LYS  41   2.102 -10.081  -8.597
  248   2HG   LYS  41          1HG       LYS  41   2.316  -8.394  -8.235
  249   1HD   LYS  41          2HD       LYS  41   4.511  -9.034  -8.439
  250   2HD   LYS  41          1HD       LYS  41   4.303  -9.278  -6.703
  251   1HE   LYS  41          2HE       LYS  41   4.796 -11.442  -6.953
  252   2HE   LYS  41          1HE       LYS  41   3.402 -11.669  -8.013
  253   1HZ   LYS  41          1HZ       LYS  41   6.112 -10.762  -8.858
  254   2HZ   LYS  41          2HZ       LYS  41   4.776 -10.934  -9.885
  255   3HZ   LYS  41          3HZ       LYS  41   5.439 -12.290  -9.126
  256    H    TYR  42           H        TYR  42   3.019  -7.346  -4.639
  257    HA   TYR  42           HA       TYR  42   3.458  -5.098  -6.559
  258   1HB   TYR  42          2HB       TYR  42   2.796  -4.043  -4.603
  259   2HB   TYR  42          1HB       TYR  42   3.468  -5.266  -3.559
  260    HD1  TYR  42           1HD      TYR  42   4.117  -2.187  -5.406
  261    HD2  TYR  42           2HD      TYR  42   5.903  -5.300  -3.112
  262    HE1  TYR  42           1HE      TYR  42   6.139  -0.790  -5.056
  263    HE2  TYR  42           2HE      TYR  42   7.913  -3.942  -2.734
  264    HH   TYR  42           HH       TYR  42   8.134  -0.903  -2.935
  265    H    ASN  43           H        ASN  43   5.635  -4.654  -7.134
  266    HA   ASN  43           HA       ASN  43   7.802  -6.228  -5.912
  267   1HB   ASN  43          2HB       ASN  43   8.457  -7.170  -8.222
  268   2HB   ASN  43          1HB       ASN  43   7.039  -7.902  -7.462
  269   1HD2  ASN  43          1HD2      ASN  43   6.662  -8.434  -9.881
  270   2HD2  ASN  43          2HD2      ASN  43   5.774  -7.249 -10.772
  271    H    ASN  44           H        ASN  44   8.733  -4.178  -5.483
  272    HA   ASN  44           HA       ASN  44   9.575  -2.647  -7.922
  273   1HB   ASN  44          2HB       ASN  44   8.129  -1.625  -5.966
  274   2HB   ASN  44          1HB       ASN  44   9.697  -1.419  -5.179
  275   1HD2  ASN  44          1HD2      ASN  44   8.120  -0.905  -8.373
  276   2HD2  ASN  44          2HD2      ASN  44   8.917   0.601  -8.652
  277    H    TYR  45           H        TYR  45  10.678  -3.535  -4.614
  278    HA   TYR  45           HA       TYR  45  12.851  -3.817  -3.810
  279   1HB   TYR  45          2HB       TYR  45  13.402  -4.802  -6.643
  280   2HB   TYR  45          1HB       TYR  45  14.264  -5.252  -5.164
  281    HD1  TYR  45           1HD      TYR  45  13.325  -6.809  -3.571
  282    HD2  TYR  45           2HD      TYR  45  11.115  -5.613  -7.054
  283    HE1  TYR  45           1HE      TYR  45  11.707  -8.646  -3.178
  284    HE2  TYR  45           2HE      TYR  45   9.521  -7.451  -6.645
  285    HH   TYR  45           HH       TYR  45   9.890  -9.975  -5.129
  286    H    GLU  46           H        GLU  46  12.110  -1.276  -5.321
  287    HA   GLU  46           HA       GLU  46  13.966  -0.202  -6.966
  288   1HB   GLU  46          2HB       GLU  46  11.997   0.783  -5.263
  289   2HB   GLU  46          1HB       GLU  46  13.441   1.522  -4.625
  290   1HG   GLU  46          2HG       GLU  46  13.210   1.567  -7.583
  291   2HG   GLU  46          1HG       GLU  46  12.037   2.526  -6.679
  292    H    GLY  47           H        GLY  47  14.337  -0.045  -3.404
  293   1HA   GLY  47          2HA       GLY  47  17.079  -0.890  -3.410
  294   2HA   GLY  47          1HA       GLY  47  17.021   0.876  -3.408
  295    H    PHE  48           H        PHE  48  14.851  -1.491  -1.824
  296    HA   PHE  48           HA       PHE  48  15.650  -0.271   0.804
  297   1HB   PHE  48          2HB       PHE  48  12.880  -1.372   0.476
  298   2HB   PHE  48          1HB       PHE  48  13.480  -0.004   1.417
  299    HD1  PHE  48           1HD      PHE  48  14.774   1.787  -0.310
  300    HD2  PHE  48           2HD      PHE  48  11.339  -0.661  -1.113
  301    HE1  PHE  48           1HE      PHE  48  14.076   3.357  -2.095
  302    HE2  PHE  48           2HE      PHE  48  10.628   0.922  -2.885
  303    HZ   PHE  48           HZ       PHE  48  12.001   2.927  -3.379
  304    H    ASP  49           H        ASP  49  15.066  -1.771   2.662
  305    HA   ASP  49           HA       ASP  49  15.396  -4.635   1.824
  306   1HB   ASP  49          2HB       ASP  49  17.466  -3.500   2.839
  307   2HB   ASP  49          1HB       ASP  49  16.570  -3.427   4.360
  308    H    PHE  50           H        PHE  50  12.932  -4.302   2.003
  309    HA   PHE  50           HA       PHE  50  11.609  -3.851   4.444
  310   1HB   PHE  50          2HB       PHE  50  10.974  -5.762   2.181
  311   2HB   PHE  50          1HB       PHE  50   9.809  -5.407   3.468
  312    HD1  PHE  50           1HD      PHE  50  10.343  -2.501   3.908
  313    HD2  PHE  50           2HD      PHE  50   9.936  -4.777   0.287
  314    HE1  PHE  50           1HE      PHE  50   9.572  -0.498   2.719
  315    HE2  PHE  50           2HE      PHE  50   9.153  -2.754  -0.898
  316    HZ   PHE  50           HZ       PHE  50   8.988  -0.597   0.315
  317    H    SER  51           H        SER  51  10.212  -6.001   5.310
  318    HA   SER  51           HA       SER  51  12.015  -8.259   5.824
  319   1HB   SER  51          2HB       SER  51  12.073  -7.944   8.256
  320   2HB   SER  51          1HB       SER  51  12.749  -6.509   7.475
  321    HG   SER  51           HG       SER  51  11.148  -6.097   9.165
  322    H    VAL  52           H        VAL  52   9.406  -7.963   4.604
  323    HA   VAL  52           HA       VAL  52   7.637  -9.233   6.672
  324    HB   VAL  52           HB       VAL  52   6.955  -7.861   4.051
  325   1HG1  VAL  52          1HG1      VAL  52   5.497  -9.823   4.680
  326   2HG1  VAL  52          2HG1      VAL  52   4.669  -8.263   4.624
  327   3HG1  VAL  52          3HG1      VAL  52   5.100  -8.984   6.172
  328   1HG2  VAL  52          1HG2      VAL  52   6.522  -7.091   6.953
  329   2HG2  VAL  52          2HG2      VAL  52   5.820  -6.300   5.557
  330   3HG2  VAL  52          3HG2      VAL  52   7.558  -6.265   5.778
  331    H    SER  53           H        SER  53   7.744  -9.429   3.083
  332    HA   SER  53           HA       SER  53   8.541 -12.220   3.151
  333   1HB   SER  53          2HB       SER  53   5.852 -11.779   3.680
  334   2HB   SER  53          1HB       SER  53   5.843 -12.075   1.949
  335    HG   SER  53           HG       SER  53   6.706 -13.747   4.047
  336    H    SER  54           H        SER  54   8.062 -13.187   0.848
  337    HA   SER  54           HA       SER  54   9.269 -11.357  -1.080
  338   1HB   SER  54          2HB       SER  54   8.139 -13.867  -2.173
  339   2HB   SER  54          1HB       SER  54   9.773 -13.231  -2.196
  340    HG   SER  54           HG       SER  54   9.544 -15.150  -0.921
  341    HA   PRO  55           HA       PRO  55   5.078 -11.947  -3.326
  342   1HB   PRO  55          2HB       PRO  55   3.022 -13.051  -1.885
  343   2HB   PRO  55          1HB       PRO  55   4.148 -13.973  -2.877
  344   1HG   PRO  55          2HG       PRO  55   4.045 -13.723   0.103
  345   2HG   PRO  55          1HG       PRO  55   4.624 -15.075  -0.887
  346   1HD   PRO  55          2HD       PRO  55   6.204 -13.182   0.394
  347   2HD   PRO  55          1HD       PRO  55   6.751 -14.285  -0.852
  348    H    TYR  56           H        TYR  56   5.166  -9.711  -3.094
  349    HA   TYR  56           HA       TYR  56   3.893  -8.442  -0.774
  350   1HB   TYR  56          2HB       TYR  56   5.371  -7.500  -3.212
  351   2HB   TYR  56          1HB       TYR  56   4.421  -6.340  -2.307
  352    HD1  TYR  56           1HD      TYR  56   7.579  -6.868  -2.761
  353    HD2  TYR  56           2HD      TYR  56   4.788  -7.284   0.466
  354    HE1  TYR  56           1HE      TYR  56   9.410  -6.557  -1.121
  355    HE2  TYR  56           2HE      TYR  56   6.594  -6.986   2.097
  356    HH   TYR  56           HH       TYR  56   9.568  -7.423   1.679
  357    H    TYR  57           H        TYR  57   2.497  -6.384  -1.586
  358    HA   TYR  57           HA       TYR  57   0.755  -6.971  -3.799
  359   1HB   TYR  57          2HB       TYR  57  -0.210  -7.265  -0.967
  360   2HB   TYR  57          1HB       TYR  57  -1.335  -7.068  -2.324
  361    HD1  TYR  57           1HD      TYR  57   0.724  -9.357  -0.472
  362    HD2  TYR  57           2HD      TYR  57  -1.234  -8.760  -4.216
  363    HE1  TYR  57           1HE      TYR  57   0.905 -11.799  -0.968
  364    HE2  TYR  57           2HE      TYR  57  -1.047 -11.166  -4.731
  365    HH   TYR  57           HH       TYR  57  -0.667 -13.459  -2.703
  366    H    GLU  58           H        GLU  58   0.423  -4.995  -4.671
  367    HA   GLU  58           HA       GLU  58   0.825  -2.604  -3.015
  368   1HB   GLU  58          2HB       GLU  58   0.545  -1.368  -5.118
  369   2HB   GLU  58          1HB       GLU  58   1.700  -2.677  -5.309
  370   1HG   GLU  58          2HG       GLU  58   0.435  -3.826  -6.749
  371   2HG   GLU  58          1HG       GLU  58  -1.077  -3.497  -5.927
  372    H    TRP  59           H        TRP  59  -0.683  -1.118  -2.430
  373    HA   TRP  59           HA       TRP  59  -3.424  -1.170  -3.403
  374   1HB   TRP  59          2HB       TRP  59  -3.765  -2.926  -1.818
  375   2HB   TRP  59          1HB       TRP  59  -2.738  -2.136  -0.618
  376    HD1  TRP  59           HD       TRP  59  -3.770  -0.352   0.922
  377    HE1  TRP  59           1HE      TRP  59  -6.170   0.461   1.344
  378    HE3  TRP  59           3HE      TRP  59  -6.137  -2.500  -3.078
  379    HZ2  TRP  59           2HZ      TRP  59  -8.764   0.216   0.134
  380    HZ3  TRP  59           3HZ      TRP  59  -8.561  -2.190  -3.400
  381    HH2  TRP  59           HH       TRP  59  -9.872  -0.844  -1.841
  382    HA   PRO  60           HA       PRO  60  -2.607   3.061  -2.296
  383   1HB   PRO  60          2HB       PRO  60  -5.187   4.013  -2.425
  384   2HB   PRO  60          1HB       PRO  60  -4.163   3.698  -3.825
  385   1HG   PRO  60          2HG       PRO  60  -6.374   2.012  -2.717
  386   2HG   PRO  60          1HG       PRO  60  -5.933   2.259  -4.408
  387   1HD   PRO  60          2HD       PRO  60  -5.293   0.040  -2.940
  388   2HD   PRO  60          1HD       PRO  60  -4.368   0.557  -4.302
  389    H    ILE  61           H        ILE  61  -2.635   4.336  -0.477
  390    HA   ILE  61           HA       ILE  61  -4.050   3.209   1.922
  391    HB   ILE  61           HB       ILE  61  -1.753   3.144   2.383
  392   1HG1  ILE  61          2HG1      ILE  61  -1.352   4.899   4.044
  393   2HG1  ILE  61          1HG1      ILE  61  -2.637   5.890   3.362
  394   1HG2  ILE  61          1HG2      ILE  61  -1.593   5.783   0.917
  395   2HG2  ILE  61          2HG2      ILE  61  -0.847   4.252   0.498
  396   3HG2  ILE  61          3HG2      ILE  61  -0.265   5.139   1.879
  397   1HD1  ILE  61          1HD1      ILE  61  -4.289   4.479   4.204
  398   2HD1  ILE  61          2HD1      ILE  61  -3.081   4.346   5.430
  399   3HD1  ILE  61          3HD1      ILE  61  -3.234   3.089   4.217
  400    H    LEU  62           H        LEU  62  -5.481   4.546   3.003
  401    HA   LEU  62           HA       LEU  62  -5.581   7.425   2.163
  402   1HB   LEU  62          2HB       LEU  62  -8.091   6.098   3.086
  403   2HB   LEU  62          1HB       LEU  62  -7.831   7.299   1.811
  404    HG   LEU  62           HG       LEU  62  -7.224   4.325   1.625
  405   1HD1  LEU  62          1HD1      LEU  62  -8.893   4.447  -0.154
  406   2HD1  LEU  62          2HD1      LEU  62  -9.238   6.111   0.232
  407   3HD1  LEU  62          3HD1      LEU  62  -9.590   4.829   1.398
  408   1HD2  LEU  62          1HD2      LEU  62  -5.746   4.872   0.022
  409   2HD2  LEU  62          2HD2      LEU  62  -6.095   6.601   0.179
  410   3HD2  LEU  62          3HD2      LEU  62  -7.043   5.596  -0.883
  411    H    SER  63           H        SER  63  -7.182   8.545   3.908
  412    HA   SER  63           HA       SER  63  -6.131   7.736   6.607
  413   1HB   SER  63          2HB       SER  63  -5.333   9.815   6.758
  414   2HB   SER  63          1HB       SER  63  -6.025  10.280   5.194
  415    HG   SER  63           HG       SER  63  -7.095  10.503   7.796
  416    H    SER  64           H        SER  64  -8.890   8.188   4.644
  417    HA   SER  64           HA       SER  64 -10.751   8.837   6.772
  418   1HB   SER  64          2HB       SER  64 -10.798   8.648   3.912
  419   2HB   SER  64          1HB       SER  64 -12.042   7.560   4.528
  420    HG   SER  64           HG       SER  64 -11.772  10.339   4.890
  421    H    GLY  65           H        GLY  65 -10.255   5.875   4.789
  422   1HA   GLY  65          2HA       GLY  65  -9.971   3.722   5.977
  423   2HA   GLY  65          1HA       GLY  65 -11.123   4.269   7.190
  424    H    ASP  66           H        ASP  66 -12.005   5.217   4.018
  425    HA   ASP  66           HA       ASP  66 -14.192   3.236   4.067
  426   1HB   ASP  66          2HB       ASP  66 -13.902   5.930   3.158
  427   2HB   ASP  66          1HB       ASP  66 -14.227   4.950   1.726
  428    H    VAL  67           H        VAL  67 -11.153   2.835   3.213
  429    HA   VAL  67           HA       VAL  67 -10.070   1.456   1.727
  430    HB   VAL  67           HB       VAL  67 -12.913   0.580   1.060
  431   1HG1  VAL  67          1HG1      VAL  67 -11.112   0.058  -0.666
  432   2HG1  VAL  67          2HG1      VAL  67 -11.978  -1.302   0.010
  433   3HG1  VAL  67          3HG1      VAL  67 -10.370  -0.935   0.585
  434   1HG2  VAL  67          1HG2      VAL  67 -12.366   0.231   3.408
  435   2HG2  VAL  67          2HG2      VAL  67 -10.830  -0.504   2.969
  436   3HG2  VAL  67          3HG2      VAL  67 -12.341  -1.316   2.566
  437    H    TYR  68           H        TYR  68  -9.177   2.012  -0.236
  438    HA   TYR  68           HA       TYR  68  -9.950   4.177  -1.764
  439   1HB   TYR  68          2HB       TYR  68  -7.797   2.981  -2.012
  440   2HB   TYR  68          1HB       TYR  68  -8.620   1.654  -2.849
  441    HD1  TYR  68           1HD      TYR  68  -9.851   2.145  -5.020
  442    HD2  TYR  68           2HD      TYR  68  -7.179   4.951  -3.166
  443    HE1  TYR  68           1HE      TYR  68  -9.699   3.391  -7.143
  444    HE2  TYR  68           2HE      TYR  68  -7.002   6.187  -5.299
  445    HH   TYR  68           HH       TYR  68  -7.441   5.322  -8.008
  446    H    SER  69           H        SER  69 -12.010   4.467  -2.536
  447    HA   SER  69           HA       SER  69 -13.136   2.280  -4.261
  448   1HB   SER  69          2HB       SER  69 -14.320   3.672  -1.915
  449   2HB   SER  69          1HB       SER  69 -15.383   3.534  -3.316
  450    HG   SER  69           HG       SER  69 -14.191   1.492  -1.793
  451    H    GLY  70           H        GLY  70 -11.673   5.041  -4.585
  452   1HA   GLY  70          2HA       GLY  70 -12.303   5.875  -7.010
  453   2HA   GLY  70          1HA       GLY  70 -13.743   6.473  -6.181
  454    H    GLY  71           H        GLY  71 -10.188   6.528  -5.759
  455   1HA   GLY  71          2HA       GLY  71 -10.420   9.449  -5.113
  456   2HA   GLY  71          1HA       GLY  71  -9.477   8.371  -4.084
  457    H    SER  72           H        SER  72  -8.652  10.688  -5.808
  458    HA   SER  72           HA       SER  72  -7.350  10.011  -8.129
  459   1HB   SER  72          2HB       SER  72  -6.604  12.111  -7.895
  460   2HB   SER  72          1HB       SER  72  -7.134  12.117  -6.212
  461    HG   SER  72           HG       SER  72  -4.861  12.507  -6.478
  462    HA   PRO  73           HA       PRO  73  -4.508   6.855  -6.580
  463   1HB   PRO  73          2HB       PRO  73  -3.471   6.193  -9.029
  464   2HB   PRO  73          1HB       PRO  73  -5.046   5.665  -8.446
  465   1HG   PRO  73          2HG       PRO  73  -4.438   7.758 -10.484
  466   2HG   PRO  73          1HG       PRO  73  -5.856   6.705 -10.345
  467   1HD   PRO  73          2HD       PRO  73  -5.715   9.421  -9.542
  468   2HD   PRO  73          1HD       PRO  73  -6.994   8.263  -9.125
  469    H    GLY  74           H        GLY  74  -2.241   6.738  -6.214
  470   1HA   GLY  74          2HA       GLY  74   0.011   7.418  -6.719
  471   2HA   GLY  74          1HA       GLY  74  -0.551   8.931  -7.395
  472    H    ALA  75           H        ALA  75   1.218   9.651  -5.744
  473    HA   ALA  75           HA       ALA  75   1.543  10.987  -3.876
  474   1HB   ALA  75          1HB       ALA  75  -1.110  10.190  -2.681
  475   2HB   ALA  75          2HB       ALA  75  -1.066  11.231  -4.098
  476   3HB   ALA  75          3HB       ALA  75  -0.244  11.715  -2.627
  477    H    ASP  76           H        ASP  76  -0.479   8.287  -2.559
  478    HA   ASP  76           HA       ASP  76   1.982   7.316  -1.164
  479   1HB   ASP  76          2HB       ASP  76  -0.698   8.037   0.060
  480   2HB   ASP  76          1HB       ASP  76   0.407   6.903   0.840
  481    H    ARG  77           H        ARG  77   1.947   5.090  -0.630
  482    HA   ARG  77           HA       ARG  77  -0.348   3.422  -1.310
  483   1HB   ARG  77          2HB       ARG  77   1.790   3.930  -3.297
  484   2HB   ARG  77          1HB       ARG  77   1.496   2.212  -3.008
  485   1HG   ARG  77          2HG       ARG  77  -0.665   2.274  -3.759
  486   2HG   ARG  77          1HG       ARG  77  -0.886   3.986  -3.424
  487   1HD   ARG  77          2HD       ARG  77   0.436   4.626  -5.299
  488   2HD   ARG  77          1HD       ARG  77   1.020   2.968  -5.540
  489    HE   ARG  77           HE       ARG  77  -1.801   3.771  -5.834
  490   1HH1  ARG  77          1HH1      ARG  77   0.014   1.245  -7.077
  491   2HH1  ARG  77          2HH1      ARG  77  -0.109   1.730  -8.736
  492   1HH2  ARG  77          1HH2      ARG  77  -1.566   4.801  -8.007
  493   2HH2  ARG  77          2HH2      ARG  77  -1.005   3.747  -9.263
  494    H    VAL  78           H        VAL  78  -0.157   2.217   0.556
  495    HA   VAL  78           HA       VAL  78   2.540   1.376   1.447
  496    HB   VAL  78           HB       VAL  78   0.802   2.200   3.066
  497   1HG1  VAL  78          1HG1      VAL  78  -0.601  -0.315   2.157
  498   2HG1  VAL  78          2HG1      VAL  78  -1.218   1.290   2.267
  499   3HG1  VAL  78          3HG1      VAL  78  -0.900   0.384   3.730
  500   1HG2  VAL  78          1HG2      VAL  78   2.016  -0.558   3.359
  501   2HG2  VAL  78          2HG2      VAL  78   1.149   0.222   4.669
  502   3HG2  VAL  78          3HG2      VAL  78   2.583   0.966   3.987
  503    H    VAL  79           H        VAL  79   3.221  -0.794   1.496
  504    HA   VAL  79           HA       VAL  79   1.546  -2.697  -0.122
  505    HB   VAL  79           HB       VAL  79   4.543  -2.361   0.163
  506   1HG1  VAL  79          1HG1      VAL  79   4.048  -4.795   0.321
  507   2HG1  VAL  79          2HG1      VAL  79   4.751  -4.403  -1.196
  508   3HG1  VAL  79          3HG1      VAL  79   3.029  -4.661  -1.088
  509   1HG2  VAL  79          1HG2      VAL  79   4.488  -2.080  -2.198
  510   2HG2  VAL  79          2HG2      VAL  79   3.224  -1.043  -1.552
  511   3HG2  VAL  79          3HG2      VAL  79   2.805  -2.584  -2.303
  512    H    PHE  80           H        PHE  80   1.895  -4.984   0.439
  513    HA   PHE  80           HA       PHE  80   2.709  -5.504   3.221
  514   1HB   PHE  80          2HB       PHE  80   0.420  -6.625   3.564
  515   2HB   PHE  80          1HB       PHE  80   0.446  -4.865   3.574
  516    HD1  PHE  80           1HD      PHE  80  -1.089  -7.707   2.155
  517    HD2  PHE  80           2HD      PHE  80   0.059  -3.679   1.246
  518    HE1  PHE  80           1HE      PHE  80  -2.730  -7.643   0.295
  519    HE2  PHE  80           2HE      PHE  80  -1.543  -3.624  -0.599
  520    HZ   PHE  80           HZ       PHE  80  -2.966  -5.594  -1.080
  521    H    ASN  81           H        ASN  81   2.052  -8.040   3.567
  522    HA   ASN  81           HA       ASN  81   3.096  -9.392   1.100
  523   1HB   ASN  81          2HB       ASN  81   3.921 -11.144   2.603
  524   2HB   ASN  81          1HB       ASN  81   4.554  -9.572   3.041
  525   1HD2  ASN  81          1HD2      ASN  81   3.320 -12.303   4.404
  526   2HD2  ASN  81          2HD2      ASN  81   2.633 -11.615   5.825
  527    H    GLU  82           H        GLU  82   0.841  -9.815   3.796
  528    HA   GLU  82           HA       GLU  82  -1.356 -10.692   2.396
  529   1HB   GLU  82          2HB       GLU  82  -1.248 -13.198   2.643
  530   2HB   GLU  82          1HB       GLU  82  -0.086 -12.581   1.480
  531   1HG   GLU  82          2HG       GLU  82   1.277 -12.486   3.925
  532   2HG   GLU  82          1HG       GLU  82   0.349 -13.966   4.001
  533    H    ASN  83           H        ASN  83   0.654 -10.966   5.229
  534    HA   ASN  83           HA       ASN  83  -1.615 -11.772   6.912
  535   1HB   ASN  83          2HB       ASN  83   1.184 -12.173   7.061
  536   2HB   ASN  83          1HB       ASN  83   0.801 -11.065   8.360
  537   1HD2  ASN  83          1HD2      ASN  83   0.422 -12.164  10.235
  538   2HD2  ASN  83          2HD2      ASN  83  -0.412 -13.673  10.318
  539    H    ASN  84           H        ASN  84  -0.853  -8.989   5.480
  540    HA   ASN  84           HA       ASN  84  -1.349  -6.799   5.909
  541   1HB   ASN  84          2HB       ASN  84  -3.474  -7.612   6.769
  542   2HB   ASN  84          1HB       ASN  84  -2.753  -8.009   8.324
  543   1HD2  ASN  84          1HD2      ASN  84  -3.322  -5.243   6.192
  544   2HD2  ASN  84          2HD2      ASN  84  -3.476  -4.091   7.463
  545    H    GLN  85           H        GLN  85   0.988  -8.367   7.361
  546    HA   GLN  85           HA       GLN  85   1.508  -7.016   9.803
  547   1HB   GLN  85          2HB       GLN  85   3.823  -7.719   7.982
  548   2HB   GLN  85          1HB       GLN  85   3.639  -7.915   9.723
  549   1HG   GLN  85          2HG       GLN  85   1.747  -9.594   9.038
  550   2HG   GLN  85          1HG       GLN  85   2.611  -9.623   7.487
  551   1HE2  GLN  85          1HE2      GLN  85   4.591 -10.747   7.413
  552   2HE2  GLN  85          2HE2      GLN  85   5.260 -11.547   8.790
  553    H    LEU  86           H        LEU  86   3.501  -6.316   6.902
  554    HA   LEU  86           HA       LEU  86   2.692  -3.828   6.253
  555   1HB   LEU  86          2HB       LEU  86   3.535  -3.644   8.962
  556   2HB   LEU  86          1HB       LEU  86   4.878  -3.012   8.057
  557    HG   LEU  86           HG       LEU  86   3.331  -1.205   8.579
  558   1HD1  LEU  86          1HD1      LEU  86   3.177  -0.281   6.397
  559   2HD1  LEU  86          2HD1      LEU  86   3.073  -1.856   5.623
  560   3HD1  LEU  86          3HD1      LEU  86   4.590  -1.327   6.355
  561   1HD2  LEU  86          1HD2      LEU  86   1.306  -2.960   7.146
  562   2HD2  LEU  86          2HD2      LEU  86   1.069  -1.252   7.448
  563   3HD2  LEU  86          3HD2      LEU  86   1.255  -2.360   8.793
  564    H    ALA  87           H        ALA  87   3.695  -3.879   4.321
  565    HA   ALA  87           HA       ALA  87   6.392  -4.954   3.978
  566   1HB   ALA  87          1HB       ALA  87   6.121  -4.406   1.666
  567   2HB   ALA  87          2HB       ALA  87   4.844  -3.268   2.018
  568   3HB   ALA  87          3HB       ALA  87   4.567  -4.994   2.228
  569    H    GLY  88           H        GLY  88   4.877  -1.736   3.927
  570   1HA   GLY  88          2HA       GLY  88   6.593  -0.137   5.196
  571   2HA   GLY  88          1HA       GLY  88   7.546  -0.425   3.736
  572    H    VAL  89           H        VAL  89   6.283   2.105   4.668
  573    HA   VAL  89           HA       VAL  89   4.095   2.509   2.715
  574    HB   VAL  89           HB       VAL  89   5.414   4.505   4.565
  575   1HG1  VAL  89          1HG1      VAL  89   2.802   4.529   3.024
  576   2HG1  VAL  89          2HG1      VAL  89   4.198   5.570   2.737
  577   3HG1  VAL  89          3HG1      VAL  89   3.271   5.737   4.221
  578   1HG2  VAL  89          1HG2      VAL  89   2.952   2.780   4.877
  579   2HG2  VAL  89          2HG2      VAL  89   3.365   4.037   5.964
  580   3HG2  VAL  89          3HG2      VAL  89   4.400   2.629   5.823
  581    H    ILE  90           H        ILE  90   4.381   3.424   0.754
  582    HA   ILE  90           HA       ILE  90   7.021   4.711   0.137
  583    HB   ILE  90           HB       ILE  90   6.510   3.807  -2.239
  584   1HG1  ILE  90          2HG1      ILE  90   4.715   2.094  -0.495
  585   2HG1  ILE  90          1HG1      ILE  90   4.325   2.889  -2.034
  586   1HG2  ILE  90          1HG2      ILE  90   7.266   1.654  -0.281
  587   2HG2  ILE  90          2HG2      ILE  90   8.285   3.074  -0.482
  588   3HG2  ILE  90          3HG2      ILE  90   7.974   2.034  -1.854
  589   1HD1  ILE  90          1HD1      ILE  90   6.488   1.015  -2.434
  590   2HD1  ILE  90          2HD1      ILE  90   4.878   1.025  -3.094
  591   3HD1  ILE  90          3HD1      ILE  90   5.184   0.252  -1.555
  592    H    THR  91           H        THR  91   6.648   6.009  -2.096
  593    HA   THR  91           HA       THR  91   3.963   7.297  -1.960
  594    HB   THR  91           HB       THR  91   5.841   8.479  -0.589
  595    HG1  THR  91           1HG      THR  91   4.958  10.492  -1.256
  596   1HG2  THR  91          1HG2      THR  91   6.569   9.580  -3.280
  597   2HG2  THR  91          2HG2      THR  91   7.432   8.219  -2.609
  598   3HG2  THR  91          3HG2      THR  91   7.420   9.754  -1.758
  599    H    HIS  92           H        HIS  92   3.232   8.181  -3.876
  600    HA   HIS  92           HA       HIS  92   4.643   7.325  -6.328
  601   1HB   HIS  92          2HB       HIS  92   1.889   7.710  -5.508
  602   2HB   HIS  92          1HB       HIS  92   2.187   8.572  -7.019
  603    HD1  HIS  92           1HD      HIS  92   3.586   5.248  -5.819
  604    HD2  HIS  92           2HD      HIS  92   1.237   6.827  -8.880
  605    HE1  HIS  92           1HE      HIS  92   3.108   3.365  -7.420
  606    HE2  HIS  92           2HE      HIS  92   1.955   4.379  -9.406
  607    H    THR  93           H        THR  93   6.317   9.054  -5.993
  608    HA   THR  93           HA       THR  93   5.877  11.276  -7.696
  609    HB   THR  93           HB       THR  93   4.360  11.957  -5.707
  610    HG1  THR  93           1HG      THR  93   4.933  13.574  -7.055
  611   1HG2  THR  93          1HG2      THR  93   6.176  11.133  -4.057
  612   2HG2  THR  93          2HG2      THR  93   5.308  12.605  -3.695
  613   3HG2  THR  93          3HG2      THR  93   6.934  12.691  -4.358
  614    H    GLY  94           H        GLY  94   7.684   9.887  -5.010
  615   1HA   GLY  94          2HA       GLY  94   9.918  11.645  -5.074
  616   2HA   GLY  94          1HA       GLY  94   9.929  10.015  -4.453
  617    H    ALA  95           H        ALA  95   8.856   9.497  -7.493
  618    HA   ALA  95           HA       ALA  95  11.586   9.559  -8.705
  619   1HB   ALA  95          1HB       ALA  95  11.669   7.340  -8.618
  620   2HB   ALA  95          2HB       ALA  95  10.258   7.251  -9.655
  621   3HB   ALA  95          3HB       ALA  95  10.078   7.265  -7.891
  622    H    SER  96           H        SER  96  11.486   9.268 -11.096
  623    HA   SER  96           HA       SER  96   9.973  11.141 -12.411
  624   1HB   SER  96          2HB       SER  96  10.187   9.612 -14.479
  625   2HB   SER  96          1HB       SER  96  11.689  10.000 -13.631
  626    HG   SER  96           HG       SER  96  11.808   7.989 -12.863
  627    H    GLY  97           H        GLY  97   7.786  11.416 -12.607
  628   1HA   GLY  97          2HA       GLY  97   5.553  10.810 -13.099
  629   2HA   GLY  97          1HA       GLY  97   6.035   9.115 -13.192
  630    H    ASN  98           H        ASN  98   6.534   8.040 -11.072
  631    HA   ASN  98           HA       ASN  98   5.586   9.337  -8.654
  632   1HB   ASN  98          2HB       ASN  98   4.013   6.985  -8.751
  633   2HB   ASN  98          1HB       ASN  98   3.433   8.644  -8.710
  634   1HD2  ASN  98          1HD2      ASN  98   2.327   9.336 -10.522
  635   2HD2  ASN  98          2HD2      ASN  98   2.342   8.499 -12.033
  636    H    ASN  99           H        ASN  99   5.723   5.932  -9.806
  637    HA   ASN  99           HA       ASN  99   6.904   4.129  -8.956
  638   1HB   ASN  99          2HB       ASN  99   8.710   6.328  -9.185
  639   2HB   ASN  99          1HB       ASN  99   9.192   5.419  -7.753
  640   1HD2  ASN  99          1HD2      ASN  99   8.443   5.071 -11.231
  641   2HD2  ASN  99          2HD2      ASN  99   9.451   3.683 -11.438
  642    H    PHE 100           H        PHE 100   8.349   3.643  -6.677
  643    HA   PHE 100           HA       PHE 100   6.700   4.802  -4.465
  644   1HB   PHE 100          2HB       PHE 100   7.421   1.947  -4.088
  645   2HB   PHE 100          1HB       PHE 100   5.947   2.844  -3.769
  646    HD1  PHE 100           1HD      PHE 100   7.858   1.812  -6.803
  647    HD2  PHE 100           2HD      PHE 100   4.067   2.173  -4.825
  648    HE1  PHE 100           1HE      PHE 100   6.731   0.827  -8.782
  649    HE2  PHE 100           2HE      PHE 100   2.949   1.167  -6.794
  650    HZ   PHE 100           HZ       PHE 100   4.285   0.487  -8.768
  651    H    VAL 101           H        VAL 101   8.139   5.807  -3.174
  652    HA   VAL 101           HA       VAL 101  10.695   4.379  -2.548
  653    HB   VAL 101           HB       VAL 101  11.413   6.924  -2.042
  654   1HG1  VAL 101          1HG1      VAL 101  11.383   5.671  -4.806
  655   2HG1  VAL 101          2HG1      VAL 101  12.572   5.349  -3.543
  656   3HG1  VAL 101          3HG1      VAL 101  12.463   6.955  -4.258
  657   1HG2  VAL 101          1HG2      VAL 101   9.449   7.181  -4.355
  658   2HG2  VAL 101          2HG2      VAL 101  10.504   8.424  -3.699
  659   3HG2  VAL 101          3HG2      VAL 101   9.200   7.799  -2.723
  660    H    GLU 102           H        GLU 102  11.117   4.154  -0.393
  661    HA   GLU 102           HA       GLU 102   9.029   4.393   1.484
  662   1HB   GLU 102          2HB       GLU 102  11.976   4.497   2.178
  663   2HB   GLU 102          1HB       GLU 102  10.654   3.903   3.190
  664   1HG   GLU 102          2HG       GLU 102  10.440   2.423   0.790
  665   2HG   GLU 102          1HG       GLU 102  12.178   2.540   1.115
  666    H    CYS 103           H        CYS 103   8.124   6.208   2.345
  667    HA   CYS 103           HA       CYS 103   9.182   8.821   1.924
  668   1HB   CYS 103          2HB       CYS 103   6.879   7.632   3.287
  669   2HB   CYS 103          1HB       CYS 103   7.530   8.970   4.239
  670    H    THR 104           H        THR 104   9.544  10.331   4.002
  671    HA   THR 104           HA       THR 104  11.617   8.931   5.669
  672    HB   THR 104           HB       THR 104  12.837  10.979   5.742
  673    HG1  THR 104           1HG      THR 104  10.554  12.218   4.527
  674   1HG2  THR 104          1HG2      THR 104  11.692  10.904   2.945
  675   2HG2  THR 104          2HG2      THR 104  12.857   9.715   3.538
  676   3HG2  THR 104          3HG2      THR 104  13.300  11.417   3.443
  Start of MODEL   21
    1   1H    ALA   1          1HT       ALA   1  -1.943   9.543  15.704
    2   2H    ALA   1          2HT       ALA   1  -1.767  11.221  15.368
    3   3H    ALA   1          3HT       ALA   1  -1.473  10.631  16.948
    4    HA   ALA   1           HA       ALA   1   0.579  11.105  15.825
    5   1HB   ALA   1          1HB       ALA   1   0.445   9.247  17.454
    6   2HB   ALA   1          2HB       ALA   1   1.629   8.917  16.193
    7   3HB   ALA   1          3HB       ALA   1   0.048   8.133  16.146
    8    H    CYS   2           H        CYS   2   2.123   9.667  14.230
    9    HA   CYS   2           HA       CYS   2   1.156   8.356  12.011
   10   1HB   CYS   2          2HB       CYS   2   1.178  10.360  10.347
   11   2HB   CYS   2          1HB       CYS   2  -0.279  10.107  11.296
   12    H    ASP   3           H        ASP   3   3.054   7.460  11.380
   13    HA   ASP   3           HA       ASP   3   5.490   9.209  11.369
   14   1HB   ASP   3          2HB       ASP   3   5.551   7.190  12.848
   15   2HB   ASP   3          1HB       ASP   3   5.320   6.170  11.423
   16    H    TYR   4           H        TYR   4   3.177   8.206   9.271
   17    HA   TYR   4           HA       TYR   4   5.116   7.623   7.086
   18   1HB   TYR   4          2HB       TYR   4   2.178   7.033   7.520
   19   2HB   TYR   4          1HB       TYR   4   2.829   7.072   5.874
   20    HD1  TYR   4           1HD      TYR   4   5.536   5.991   6.197
   21    HD2  TYR   4           2HD      TYR   4   1.831   4.755   7.964
   22    HE1  TYR   4           1HE      TYR   4   6.425   3.706   6.449
   23    HE2  TYR   4           2HE      TYR   4   2.703   2.445   8.194
   24    HH   TYR   4           HH       TYR   4   5.272   1.261   6.600
   25    H    THR   5           H        THR   5   5.626   9.990   7.282
   26    HA   THR   5           HA       THR   5   3.559  11.796   6.185
   27    HB   THR   5           HB       THR   5   5.130  12.595   7.941
   28    HG1  THR   5           1HG      THR   5   5.620  13.944   5.465
   29   1HG2  THR   5          1HG2      THR   5   7.415  12.641   7.686
   30   2HG2  THR   5          2HG2      THR   5   7.335  12.678   5.930
   31   3HG2  THR   5          3HG2      THR   5   7.068  11.176   6.788
   32    H    CYS   6           H        CYS   6   3.313  12.097   4.008
   33    HA   CYS   6           HA       CYS   6   5.656  11.496   2.226
   34   1HB   CYS   6          2HB       CYS   6   2.693  10.988   1.803
   35   2HB   CYS   6          1HB       CYS   6   3.914  10.821   0.529
   36    H    GLY   7           H        GLY   7   4.376  13.955   3.505
   37   1HA   GLY   7          2HA       GLY   7   5.137  15.958   1.884
   38   2HA   GLY   7          1HA       GLY   7   3.600  15.531   1.127
   39    H    SER   8           H        SER   8   1.808  15.173   2.934
   40    HA   SER   8           HA       SER   8   2.021  16.854   5.298
   41   1HB   SER   8          2HB       SER   8   0.572  17.898   2.844
   42   2HB   SER   8          1HB       SER   8   0.198  18.481   4.471
   43    HG   SER   8           HG       SER   8   2.454  18.922   2.916
   44    H    ASN   9           H        ASN   9   1.195  14.151   4.647
   45    HA   ASN   9           HA       ASN   9  -1.740  14.290   5.254
   46   1HB   ASN   9          2HB       ASN   9  -0.011  12.235   3.856
   47   2HB   ASN   9          1HB       ASN   9  -1.588  11.796   4.528
   48   1HD2  ASN   9          1HD2      ASN   9  -0.402  14.673   2.692
   49   2HD2  ASN   9          2HD2      ASN   9  -1.690  14.618   1.578
   50    H    CYS  10           H        CYS  10   1.397  13.112   6.372
   51    HA   CYS  10           HA       CYS  10   1.945  11.852   8.233
   52   1HB   CYS  10          2HB       CYS  10   1.052  14.294   8.900
   53   2HB   CYS  10          1HB       CYS  10  -0.179  13.366   9.756
   54    H    TYR  11           H        TYR  11   0.910   9.904   7.285
   55    HA   TYR  11           HA       TYR  11  -1.802   9.226   8.172
   56   1HB   TYR  11          2HB       TYR  11   0.305   8.005   6.446
   57   2HB   TYR  11          1HB       TYR  11  -0.717   6.844   7.302
   58    HD1  TYR  11           1HD      TYR  11  -3.133   6.774   6.962
   59    HD2  TYR  11           2HD      TYR  11  -0.626   9.474   4.754
   60    HE1  TYR  11           1HE      TYR  11  -4.947   7.170   5.356
   61    HE2  TYR  11           2HE      TYR  11  -2.464   9.855   3.134
   62    HH   TYR  11           HH       TYR  11  -5.330   9.543   3.461
   63    H    SER  12           H        SER  12  -2.316   7.578   9.691
   64    HA   SER  12           HA       SER  12  -0.429   7.427  11.924
   65   1HB   SER  12          2HB       SER  12  -3.266   6.801  11.462
   66   2HB   SER  12          1HB       SER  12  -2.472   5.769  12.649
   67    HG   SER  12           HG       SER  12  -2.851   8.554  12.671
   68    H    SER  13           H        SER  13   0.924   5.725  12.372
   69    HA   SER  13           HA       SER  13   1.346   3.667  10.420
   70   1HB   SER  13          2HB       SER  13   2.782   2.612  12.195
   71   2HB   SER  13          1HB       SER  13   3.130   4.328  11.952
   72    HG   SER  13           HG       SER  13   2.263   4.798  13.861
   73    H    SER  14           H        SER  14  -1.024   4.003  12.890
   74    HA   SER  14           HA       SER  14  -1.538   1.079  12.970
   75   1HB   SER  14          2HB       SER  14  -2.426   1.429  15.023
   76   2HB   SER  14          1HB       SER  14  -1.620   2.998  14.967
   77    HG   SER  14           HG       SER  14  -4.311   2.372  14.638
   78    H    ASP  15           H        ASP  15  -2.799   4.101  11.714
   79    HA   ASP  15           HA       ASP  15  -5.415   3.039  11.104
   80   1HB   ASP  15          2HB       ASP  15  -4.705   5.528  11.344
   81   2HB   ASP  15          1HB       ASP  15  -4.159   5.410   9.665
   82    H    VAL  16           H        VAL  16  -2.302   3.326   9.503
   83    HA   VAL  16           HA       VAL  16  -3.081   2.677   6.861
   84    HB   VAL  16           HB       VAL  16  -0.548   1.571   8.106
   85   1HG1  VAL  16          1HG1      VAL  16   0.362   2.075   5.906
   86   2HG1  VAL  16          2HG1      VAL  16  -1.147   2.832   5.403
   87   3HG1  VAL  16          3HG1      VAL  16  -1.081   1.098   5.720
   88   1HG2  VAL  16          1HG2      VAL  16  -0.115   3.629   8.867
   89   2HG2  VAL  16          2HG2      VAL  16  -1.396   4.409   7.930
   90   3HG2  VAL  16          3HG2      VAL  16   0.148   4.056   7.195
   91    H    SER  17           H        SER  17  -2.515   0.672   9.716
   92    HA   SER  17           HA       SER  17  -2.627  -1.874   8.478
   93   1HB   SER  17          2HB       SER  17  -2.323  -0.999  11.054
   94   2HB   SER  17          1HB       SER  17  -3.964  -1.648  11.129
   95    HG   SER  17           HG       SER  17  -3.210  -3.625  10.565
   96    H    THR  18           H        THR  18  -5.215   0.274   9.659
   97    HA   THR  18           HA       THR  18  -7.369  -1.544   9.161
   98    HB   THR  18           HB       THR  18  -8.172   1.217   8.630
   99    HG1  THR  18           1HG      THR  18  -6.681   0.903  11.040
  100   1HG2  THR  18          1HG2      THR  18  -9.585  -0.529   9.641
  101   2HG2  THR  18          2HG2      THR  18  -9.453   0.887  10.681
  102   3HG2  THR  18          3HG2      THR  18  -8.526  -0.566  11.053
  103    H    ALA  19           H        ALA  19  -5.850   0.975   7.163
  104    HA   ALA  19           HA       ALA  19  -7.499   0.368   4.834
  105   1HB   ALA  19          1HB       ALA  19  -6.134   1.961   3.694
  106   2HB   ALA  19          2HB       ALA  19  -4.834   1.782   4.877
  107   3HB   ALA  19          3HB       ALA  19  -6.347   2.575   5.338
  108    H    GLN  20           H        GLN  20  -4.897  -1.200   6.348
  109    HA   GLN  20           HA       GLN  20  -3.817  -2.284   3.888
  110   1HB   GLN  20          2HB       GLN  20  -2.694  -1.817   6.395
  111   2HB   GLN  20          1HB       GLN  20  -2.919  -3.556   6.411
  112   1HG   GLN  20          2HG       GLN  20  -1.283  -1.893   4.532
  113   2HG   GLN  20          1HG       GLN  20  -0.796  -3.284   5.485
  114   1HE2  GLN  20          1HE2      GLN  20  -2.267  -2.303   2.475
  115   2HE2  GLN  20          2HE2      GLN  20  -2.595  -3.877   1.907
  116    H    ALA  21           H        ALA  21  -6.054  -3.083   6.413
  117    HA   ALA  21           HA       ALA  21  -6.157  -5.939   5.764
  118   1HB   ALA  21          1HB       ALA  21  -8.077  -5.960   7.316
  119   2HB   ALA  21          2HB       ALA  21  -8.023  -4.197   7.408
  120   3HB   ALA  21          3HB       ALA  21  -6.682  -5.155   8.032
  121    H    ALA  22           H        ALA  22  -7.396  -3.029   4.442
  122    HA   ALA  22           HA       ALA  22  -9.846  -4.195   3.337
  123   1HB   ALA  22          1HB       ALA  22  -9.997  -2.034   2.143
  124   2HB   ALA  22          2HB       ALA  22  -8.400  -1.590   2.744
  125   3HB   ALA  22          3HB       ALA  22  -9.740  -1.800   3.870
  126    H    GLY  23           H        GLY  23  -6.782  -2.909   1.947
  127   1HA   GLY  23          2HA       GLY  23  -7.196  -3.995  -0.672
  128   2HA   GLY  23          1HA       GLY  23  -5.639  -3.566   0.021
  129    H    TYR  24           H        TYR  24  -6.070  -5.378   2.339
  130    HA   TYR  24           HA       TYR  24  -4.853  -7.722   1.141
  131   1HB   TYR  24          2HB       TYR  24  -4.081  -7.155   3.322
  132   2HB   TYR  24          1HB       TYR  24  -5.728  -6.991   3.947
  133    HD1  TYR  24           1HD      TYR  24  -3.940  -9.630   1.966
  134    HD2  TYR  24           2HD      TYR  24  -6.202  -8.666   5.486
  135    HE1  TYR  24           1HE      TYR  24  -3.924 -12.018   2.626
  136    HE2  TYR  24           2HE      TYR  24  -6.182 -11.055   6.154
  137    HH   TYR  24           HH       TYR  24  -5.754 -13.484   4.362
  138    H    GLN  25           H        GLN  25  -7.839  -7.320   3.102
  139    HA   GLN  25           HA       GLN  25  -8.872  -9.898   2.607
  140   1HB   GLN  25          2HB       GLN  25  -9.761  -7.663   3.984
  141   2HB   GLN  25          1HB       GLN  25 -10.931  -7.743   2.682
  142   1HG   GLN  25          2HG       GLN  25 -11.895  -9.094   4.293
  143   2HG   GLN  25          1HG       GLN  25 -11.073 -10.286   3.275
  144   1HE2  GLN  25          1HE2      GLN  25 -11.620 -10.930   5.943
  145   2HE2  GLN  25          2HE2      GLN  25 -10.134 -10.955   6.822
  146    H    LEU  26           H        LEU  26  -9.849  -6.897   0.944
  147    HA   LEU  26           HA       LEU  26 -11.444  -7.975  -1.073
  148   1HB   LEU  26          2HB       LEU  26  -9.509  -5.649  -1.019
  149   2HB   LEU  26          1HB       LEU  26 -10.329  -6.048  -2.518
  150    HG   LEU  26           HG       LEU  26 -11.481  -4.320  -0.979
  151   1HD1  LEU  26          1HD1      LEU  26 -12.500  -5.691  -2.892
  152   2HD1  LEU  26          2HD1      LEU  26 -13.601  -5.006  -1.738
  153   3HD1  LEU  26          3HD1      LEU  26 -13.184  -6.710  -1.648
  154   1HD2  LEU  26          1HD2      LEU  26 -11.155  -5.625   1.122
  155   2HD2  LEU  26          2HD2      LEU  26 -12.267  -6.855   0.516
  156   3HD2  LEU  26          3HD2      LEU  26 -12.822  -5.225   0.807
  157    H    HIS  27           H        HIS  27  -7.908  -7.908  -0.906
  158    HA   HIS  27           HA       HIS  27  -7.446  -8.874  -3.552
  159   1HB   HIS  27          2HB       HIS  27  -5.629  -7.888  -2.312
  160   2HB   HIS  27          1HB       HIS  27  -5.772  -9.090  -1.033
  161    HD1  HIS  27           1HD      HIS  27  -5.948  -9.976  -4.690
  162    HD2  HIS  27           2HD      HIS  27  -3.281 -10.297  -1.496
  163    HE1  HIS  27           1HE      HIS  27  -4.093 -11.500  -5.461
  164    HE2  HIS  27           2HE      HIS  27  -2.641 -11.916  -3.433
  165    H    GLU  28           H        GLU  28  -7.398 -10.668  -0.444
  166    HA   GLU  28           HA       GLU  28  -7.360 -13.216  -1.924
  167   1HB   GLU  28          2HB       GLU  28  -6.227 -12.525   0.420
  168   2HB   GLU  28          1HB       GLU  28  -7.762 -13.118   1.055
  169   1HG   GLU  28          2HG       GLU  28  -6.394 -15.020   1.025
  170   2HG   GLU  28          1HG       GLU  28  -7.376 -15.199  -0.437
  171    H    ASP  29           H        ASP  29  -9.812 -11.193  -1.602
  172    HA   ASP  29           HA       ASP  29 -11.752 -13.271  -0.718
  173   1HB   ASP  29          2HB       ASP  29 -11.629 -10.827   0.289
  174   2HB   ASP  29          1HB       ASP  29 -12.525 -10.388  -1.167
  175    H    GLY  30           H        GLY  30 -10.380 -12.032  -3.501
  176   1HA   GLY  30          2HA       GLY  30 -10.998 -12.623  -5.695
  177   2HA   GLY  30          1HA       GLY  30 -12.601 -13.086  -5.131
  178    H    GLU  31           H        GLU  31 -12.217 -10.212  -3.662
  179    HA   GLU  31           HA       GLU  31 -13.585  -8.788  -5.868
  180   1HB   GLU  31          2HB       GLU  31 -14.353  -9.040  -3.313
  181   2HB   GLU  31          1HB       GLU  31 -13.301  -7.673  -3.119
  182   1HG   GLU  31          2HG       GLU  31 -15.259  -6.570  -3.621
  183   2HG   GLU  31          1HG       GLU  31 -14.609  -6.746  -5.255
  184    H    THR  32           H        THR  32 -12.900  -6.150  -4.684
  185    HA   THR  32           HA       THR  32 -10.110  -5.764  -4.532
  186    HB   THR  32           HB       THR  32 -10.258  -4.514  -6.983
  187    HG1  THR  32           1HG      THR  32 -11.481  -5.709  -8.341
  188   1HG2  THR  32          1HG2      THR  32  -8.946  -6.784  -5.877
  189   2HG2  THR  32          2HG2      THR  32  -8.485  -5.806  -7.252
  190   3HG2  THR  32          3HG2      THR  32  -9.504  -7.197  -7.482
  191    H    VAL  33           H        VAL  33 -11.993  -3.672  -6.654
  192    HA   VAL  33           HA       VAL  33 -12.907  -1.992  -4.440
  193    HB   VAL  33           HB       VAL  33 -11.517  -0.031  -5.792
  194   1HG1  VAL  33          1HG1      VAL  33 -11.621  -0.450  -3.337
  195   2HG1  VAL  33          2HG1      VAL  33  -9.993  -0.052  -3.903
  196   3HG1  VAL  33          3HG1      VAL  33 -10.438  -1.710  -3.562
  197   1HG2  VAL  33          1HG2      VAL  33  -9.360  -0.747  -6.378
  198   2HG2  VAL  33          2HG2      VAL  33 -10.432  -1.891  -7.147
  199   3HG2  VAL  33          3HG2      VAL  33  -9.582  -2.347  -5.679
  200    H    GLY  34           H        GLY  34 -13.448   0.344  -5.806
  201   1HA   GLY  34          2HA       GLY  34 -15.715  -0.385  -7.372
  202   2HA   GLY  34          1HA       GLY  34 -15.021   1.232  -7.271
  203    H    SER  35           H        SER  35 -14.890  -1.829  -9.031
  204    HA   SER  35           HA       SER  35 -13.814  -2.367 -11.044
  205   1HB   SER  35          2HB       SER  35 -15.832  -0.555 -11.416
  206   2HB   SER  35          1HB       SER  35 -14.509   0.293 -12.211
  207    HG   SER  35           HG       SER  35 -15.463  -1.075 -13.694
  208    H    ASN  36           H        ASN  36 -11.910  -1.337  -9.234
  209    HA   ASN  36           HA       ASN  36 -10.174   0.285 -11.071
  210   1HB   ASN  36          2HB       ASN  36 -10.808   0.566  -8.163
  211   2HB   ASN  36          1HB       ASN  36  -9.117   0.805  -8.615
  212   1HD2  ASN  36          1HD2      ASN  36  -8.590   2.600  -9.993
  213   2HD2  ASN  36          2HD2      ASN  36  -9.741   3.855 -10.284
  214    H    SER  37           H        SER  37 -10.445  -2.520  -8.977
  215    HA   SER  37           HA       SER  37  -8.892  -4.157  -8.446
  216   1HB   SER  37          2HB       SER  37  -7.634  -3.710 -11.149
  217   2HB   SER  37          1HB       SER  37  -8.076  -5.222 -10.344
  218    HG   SER  37           HG       SER  37  -9.693  -3.401 -11.744
  219    H    TYR  38           H        TYR  38  -7.852  -2.595  -6.921
  220    HA   TYR  38           HA       TYR  38  -5.309  -1.465  -7.868
  221   1HB   TYR  38          2HB       TYR  38  -7.243  -0.545  -6.086
  222   2HB   TYR  38          1HB       TYR  38  -5.866  -0.955  -5.061
  223    HD1  TYR  38           1HD      TYR  38  -3.506  -0.405  -6.440
  224    HD2  TYR  38           2HD      TYR  38  -7.233   1.691  -6.701
  225    HE1  TYR  38           1HE      TYR  38  -2.311   1.606  -7.213
  226    HE2  TYR  38           2HE      TYR  38  -6.032   3.725  -7.460
  227    HH   TYR  38           HH       TYR  38  -2.587   4.029  -7.325
  228    HA   PRO  39           HA       PRO  39  -3.869  -4.437  -4.360
  229   1HB   PRO  39          2HB       PRO  39  -5.265  -6.759  -4.124
  230   2HB   PRO  39          1HB       PRO  39  -5.607  -5.297  -3.204
  231   1HG   PRO  39          2HG       PRO  39  -7.074  -6.456  -5.506
  232   2HG   PRO  39          1HG       PRO  39  -7.718  -5.472  -4.181
  233   1HD   PRO  39          2HD       PRO  39  -7.126  -4.596  -6.791
  234   2HD   PRO  39          1HD       PRO  39  -7.451  -3.556  -5.383
  235    H    HIS  40           H        HIS  40  -2.096  -4.851  -5.743
  236    HA   HIS  40           HA       HIS  40  -2.237  -7.475  -7.194
  237   1HB   HIS  40          2HB       HIS  40  -0.197  -5.838  -8.420
  238   2HB   HIS  40          1HB       HIS  40  -1.645  -6.534  -9.143
  239    HD1  HIS  40           1HD      HIS  40  -3.916  -5.100  -8.577
  240    HD2  HIS  40           2HD      HIS  40  -0.276  -3.093  -8.590
  241    HE1  HIS  40           1HE      HIS  40  -4.406  -2.674  -8.914
  242    HE2  HIS  40           2HE      HIS  40  -2.274  -1.424  -8.414
  243    H    LYS  41           H        LYS  41   0.332  -8.010  -7.715
  244    HA   LYS  41           HA       LYS  41   1.545  -7.935  -5.009
  245   1HB   LYS  41          2HB       LYS  41   2.524  -9.966  -5.441
  246   2HB   LYS  41          1HB       LYS  41   1.109 -10.101  -6.477
  247   1HG   LYS  41          2HG       LYS  41   2.554 -10.587  -8.093
  248   2HG   LYS  41          1HG       LYS  41   2.867  -8.873  -8.208
  249   1HD   LYS  41          2HD       LYS  41   4.593  -9.438  -6.226
  250   2HD   LYS  41          1HD       LYS  41   4.463 -11.064  -6.920
  251   1HE   LYS  41          2HE       LYS  41   4.968  -8.688  -8.718
  252   2HE   LYS  41          1HE       LYS  41   6.290  -9.428  -7.809
  253   1HZ   LYS  41          1HZ       LYS  41   5.765 -11.566  -8.793
  254   2HZ   LYS  41          2HZ       LYS  41   6.057 -10.420 -10.002
  255   3HZ   LYS  41          3HZ       LYS  41   4.471 -10.889  -9.655
  256    H    TYR  42           H        TYR  42   3.655  -7.139  -4.684
  257    HA   TYR  42           HA       TYR  42   4.715  -5.584  -6.980
  258   1HB   TYR  42          2HB       TYR  42   4.030  -4.236  -5.008
  259   2HB   TYR  42          1HB       TYR  42   5.159  -5.153  -3.998
  260    HD1  TYR  42           1HD      TYR  42   6.423  -3.151  -3.394
  261    HD2  TYR  42           2HD      TYR  42   5.965  -4.305  -7.511
  262    HE1  TYR  42           1HE      TYR  42   8.247  -1.603  -4.047
  263    HE2  TYR  42           2HE      TYR  42   7.789  -2.798  -8.151
  264    HH   TYR  42           HH       TYR  42   8.896  -0.718  -7.274
  265    H    ASN  43           H        ASN  43   6.802  -6.011  -7.641
  266    HA   ASN  43           HA       ASN  43   8.188  -8.302  -6.396
  267   1HB   ASN  43          2HB       ASN  43   9.728  -8.004  -8.434
  268   2HB   ASN  43          1HB       ASN  43   8.050  -8.449  -8.771
  269   1HD2  ASN  43          1HD2      ASN  43   6.661  -6.864  -9.736
  270   2HD2  ASN  43          2HD2      ASN  43   7.299  -5.392 -10.376
  271    H    ASN  44           H        ASN  44   8.184  -5.092  -5.777
  272    HA   ASN  44           HA       ASN  44   9.709  -3.535  -4.998
  273   1HB   ASN  44          2HB       ASN  44  11.131  -4.447  -3.191
  274   2HB   ASN  44          1HB       ASN  44   9.454  -4.994  -3.085
  275   1HD2  ASN  44          1HD2      ASN  44  12.726  -6.049  -3.486
  276   2HD2  ASN  44          2HD2      ASN  44  12.351  -7.725  -3.667
  277    H    TYR  45           H        TYR  45  11.004  -2.655  -6.556
  278    HA   TYR  45           HA       TYR  45  13.596  -4.052  -6.998
  279   1HB   TYR  45          2HB       TYR  45  11.587  -3.101  -9.010
  280   2HB   TYR  45          1HB       TYR  45  13.284  -2.772  -9.392
  281    HD1  TYR  45           1HD      TYR  45  14.667  -5.086  -8.184
  282    HD2  TYR  45           2HD      TYR  45  11.043  -4.856 -10.476
  283    HE1  TYR  45           1HE      TYR  45  14.989  -7.416  -8.915
  284    HE2  TYR  45           2HE      TYR  45  11.357  -7.206 -11.205
  285    HH   TYR  45           HH       TYR  45  13.780  -8.773 -11.397
  286    H    GLU  46           H        GLU  46  11.844  -1.016  -6.836
  287    HA   GLU  46           HA       GLU  46  13.643   0.878  -7.472
  288   1HB   GLU  46          2HB       GLU  46  11.367   0.775  -5.884
  289   2HB   GLU  46          1HB       GLU  46  12.602   1.266  -4.735
  290   1HG   GLU  46          2HG       GLU  46  12.935   2.722  -7.227
  291   2HG   GLU  46          1HG       GLU  46  11.276   2.849  -6.639
  292    H    GLY  47           H        GLY  47  13.687  -0.796  -4.310
  293   1HA   GLY  47          2HA       GLY  47  16.210  -1.508  -3.884
  294   2HA   GLY  47          1HA       GLY  47  16.456   0.238  -3.833
  295    H    PHE  48           H        PHE  48  13.835  -1.850  -2.543
  296    HA   PHE  48           HA       PHE  48  14.197  -0.445   0.077
  297   1HB   PHE  48          2HB       PHE  48  11.852  -2.169  -0.800
  298   2HB   PHE  48          1HB       PHE  48  11.930  -1.040   0.562
  299    HD1  PHE  48           1HD      PHE  48  10.573  -1.382  -2.561
  300    HD2  PHE  48           2HD      PHE  48  12.912   1.410  -0.281
  301    HE1  PHE  48           1HE      PHE  48   9.779   0.468  -4.011
  302    HE2  PHE  48           2HE      PHE  48  12.126   3.257  -1.741
  303    HZ   PHE  48           HZ       PHE  48  10.560   2.770  -3.594
  304    H    ASP  49           H        ASP  49  14.516  -1.677   1.965
  305    HA   ASP  49           HA       ASP  49  14.999  -4.606   1.512
  306   1HB   ASP  49          2HB       ASP  49  16.632  -2.488   2.834
  307   2HB   ASP  49          1HB       ASP  49  16.537  -4.013   3.714
  308    H    PHE  50           H        PHE  50  12.464  -3.875   2.137
  309    HA   PHE  50           HA       PHE  50  11.773  -3.538   4.843
  310   1HB   PHE  50          2HB       PHE  50  10.444  -5.343   2.797
  311   2HB   PHE  50          1HB       PHE  50   9.657  -4.761   4.276
  312    HD1  PHE  50           1HD      PHE  50   8.862  -4.316   1.285
  313    HD2  PHE  50           2HD      PHE  50  10.975  -1.935   4.150
  314    HE1  PHE  50           1HE      PHE  50   8.155  -2.281   0.089
  315    HE2  PHE  50           2HE      PHE  50  10.285   0.104   2.959
  316    HZ   PHE  50           HZ       PHE  50   8.870  -0.059   0.930
  317    H    SER  51           H        SER  51  10.586  -5.530   6.061
  318    HA   SER  51           HA       SER  51  12.482  -7.855   6.051
  319   1HB   SER  51          2HB       SER  51  12.182  -7.771   8.633
  320   2HB   SER  51          1HB       SER  51  13.253  -6.576   7.899
  321    HG   SER  51           HG       SER  51  11.767  -5.616   9.363
  322    H    VAL  52           H        VAL  52   9.563  -7.176   5.198
  323    HA   VAL  52           HA       VAL  52   8.011  -8.954   6.966
  324    HB   VAL  52           HB       VAL  52   7.341  -7.429   4.453
  325   1HG1  VAL  52          1HG1      VAL  52   5.889  -9.318   4.374
  326   2HG1  VAL  52          2HG1      VAL  52   4.941  -8.081   5.168
  327   3HG1  VAL  52          3HG1      VAL  52   5.709  -9.345   6.126
  328   1HG2  VAL  52          1HG2      VAL  52   5.758  -6.380   6.248
  329   2HG2  VAL  52          2HG2      VAL  52   7.431  -5.854   6.132
  330   3HG2  VAL  52          3HG2      VAL  52   6.947  -6.997   7.382
  331    H    SER  53           H        SER  53   7.966  -9.000   3.387
  332    HA   SER  53           HA       SER  53   9.115 -11.696   3.331
  333   1HB   SER  53          2HB       SER  53   6.483 -11.671   3.879
  334   2HB   SER  53          1HB       SER  53   6.371 -11.521   2.122
  335    HG   SER  53           HG       SER  53   6.468 -13.722   2.979
  336    H    SER  54           H        SER  54   8.806 -12.558   0.957
  337    HA   SER  54           HA       SER  54   9.933 -10.518  -0.804
  338   1HB   SER  54          2HB       SER  54   9.106 -13.010  -2.142
  339   2HB   SER  54          1HB       SER  54  10.689 -12.279  -1.950
  340    HG   SER  54           HG       SER  54  10.997 -13.302  -0.068
  341    HA   PRO  55           HA       PRO  55   5.912 -11.315  -3.277
  342   1HB   PRO  55          2HB       PRO  55   3.934 -12.761  -2.043
  343   2HB   PRO  55          1HB       PRO  55   5.197 -13.462  -3.051
  344   1HG   PRO  55          2HG       PRO  55   4.942 -13.499  -0.069
  345   2HG   PRO  55          1HG       PRO  55   5.711 -14.683  -1.141
  346   1HD   PRO  55          2HD       PRO  55   7.005 -12.745   0.388
  347   2HD   PRO  55          1HD       PRO  55   7.729 -13.679  -0.916
  348    H    TYR  56           H        TYR  56   5.700  -9.117  -2.875
  349    HA   TYR  56           HA       TYR  56   4.096  -8.274  -0.535
  350   1HB   TYR  56          2HB       TYR  56   5.847  -6.878  -2.553
  351   2HB   TYR  56          1HB       TYR  56   4.715  -5.941  -1.618
  352    HD1  TYR  56           1HD      TYR  56   4.770  -7.394   0.993
  353    HD2  TYR  56           2HD      TYR  56   7.929  -6.245  -1.668
  354    HE1  TYR  56           1HE      TYR  56   6.318  -7.387   2.869
  355    HE2  TYR  56           2HE      TYR  56   9.512  -6.226   0.240
  356    HH   TYR  56           HH       TYR  56   9.477  -7.565   2.705
  357    H    TYR  57           H        TYR  57   2.655  -6.237  -1.179
  358    HA   TYR  57           HA       TYR  57   1.255  -6.648  -3.704
  359   1HB   TYR  57          2HB       TYR  57  -0.083  -7.034  -1.035
  360   2HB   TYR  57          1HB       TYR  57  -0.972  -6.962  -2.567
  361    HD1  TYR  57           1HD      TYR  57  -0.587  -8.756  -4.268
  362    HD2  TYR  57           2HD      TYR  57   1.096  -8.951  -0.335
  363    HE1  TYR  57           1HE      TYR  57  -0.147 -11.166  -4.595
  364    HE2  TYR  57           2HE      TYR  57   1.535 -11.388  -0.652
  365    HH   TYR  57           HH       TYR  57   1.775 -12.898  -3.309
  366    H    GLU  58           H        GLU  58   0.524  -4.723  -4.444
  367    HA   GLU  58           HA       GLU  58   0.902  -2.368  -2.683
  368   1HB   GLU  58          2HB       GLU  58   0.489  -1.084  -4.830
  369   2HB   GLU  58          1HB       GLU  58   1.891  -2.158  -4.849
  370   1HG   GLU  58          2HG       GLU  58  -0.606  -3.488  -5.733
  371   2HG   GLU  58          1HG       GLU  58  -0.106  -2.111  -6.703
  372    H    TRP  59           H        TRP  59  -0.718  -0.981  -2.080
  373    HA   TRP  59           HA       TRP  59  -3.415  -1.182  -3.166
  374   1HB   TRP  59          2HB       TRP  59  -3.708  -3.000  -1.670
  375   2HB   TRP  59          1HB       TRP  59  -2.734  -2.236  -0.408
  376    HD1  TRP  59           HD       TRP  59  -3.906  -0.644   1.229
  377    HE1  TRP  59           1HE      TRP  59  -6.349   0.066   1.609
  378    HE3  TRP  59           3HE      TRP  59  -6.030  -2.558  -3.006
  379    HZ2  TRP  59           2HZ      TRP  59  -8.877  -0.158   0.270
  380    HZ3  TRP  59           3HZ      TRP  59  -8.450  -2.300  -3.420
  381    HH2  TRP  59           HH       TRP  59  -9.851  -1.125  -1.794
  382    HA   PRO  60           HA       PRO  60  -2.947   3.067  -1.902
  383   1HB   PRO  60          2HB       PRO  60  -5.557   3.848  -2.222
  384   2HB   PRO  60          1HB       PRO  60  -4.417   3.637  -3.545
  385   1HG   PRO  60          2HG       PRO  60  -6.596   1.791  -2.654
  386   2HG   PRO  60          1HG       PRO  60  -6.028   2.099  -4.283
  387   1HD   PRO  60          2HD       PRO  60  -5.379  -0.099  -2.787
  388   2HD   PRO  60          1HD       PRO  60  -4.393   0.477  -4.079
  389    H    ILE  61           H        ILE  61  -3.337   4.386  -0.107
  390    HA   ILE  61           HA       ILE  61  -4.934   3.127   2.107
  391    HB   ILE  61           HB       ILE  61  -2.777   2.919   2.919
  392   1HG1  ILE  61          2HG1      ILE  61  -2.344   4.698   4.536
  393   2HG1  ILE  61          1HG1      ILE  61  -3.369   5.816   3.643
  394   1HG2  ILE  61          1HG2      ILE  61  -1.576   3.823   1.071
  395   2HG2  ILE  61          2HG2      ILE  61  -0.993   4.663   2.484
  396   3HG2  ILE  61          3HG2      ILE  61  -2.131   5.454   1.392
  397   1HD1  ILE  61          1HD1      ILE  61  -5.136   3.811   4.061
  398   2HD1  ILE  61          2HD1      ILE  61  -4.881   5.090   5.186
  399   3HD1  ILE  61          3HD1      ILE  61  -4.078   3.579   5.411
  400    H    LEU  62           H        LEU  62  -6.548   4.424   2.893
  401    HA   LEU  62           HA       LEU  62  -6.414   7.353   2.264
  402   1HB   LEU  62          2HB       LEU  62  -9.048   6.051   2.801
  403   2HB   LEU  62          1HB       LEU  62  -8.620   7.364   1.692
  404    HG   LEU  62           HG       LEU  62  -8.140   4.394   1.285
  405   1HD1  LEU  62          1HD1      LEU  62 -10.168   4.619   0.352
  406   2HD1  LEU  62          2HD1      LEU  62  -9.352   5.472  -0.952
  407   3HD1  LEU  62          3HD1      LEU  62 -10.103   6.376   0.349
  408   1HD2  LEU  62          1HD2      LEU  62  -7.408   5.838  -1.019
  409   2HD2  LEU  62          2HD2      LEU  62  -6.359   4.950   0.031
  410   3HD2  LEU  62          3HD2      LEU  62  -6.606   6.679   0.280
  411    H    SER  63           H        SER  63  -7.876   8.617   3.875
  412    HA   SER  63           HA       SER  63  -7.557   7.433   6.621
  413   1HB   SER  63          2HB       SER  63  -6.652  10.045   5.506
  414   2HB   SER  63          1HB       SER  63  -7.383  10.108   7.110
  415    HG   SER  63           HG       SER  63  -5.054   9.680   7.010
  416    H    SER  64           H        SER  64  -9.863   7.518   4.716
  417    HA   SER  64           HA       SER  64 -11.711   9.330   6.207
  418   1HB   SER  64          2HB       SER  64 -11.413   8.829   3.482
  419   2HB   SER  64          1HB       SER  64 -12.822   7.858   3.916
  420    HG   SER  64           HG       SER  64 -12.434  10.639   4.140
  421    H    GLY  65           H        GLY  65 -10.715   6.057   6.007
  422   1HA   GLY  65          2HA       GLY  65 -11.477   4.401   7.535
  423   2HA   GLY  65          1HA       GLY  65 -13.004   5.257   7.728
  424    H    ASP  66           H        ASP  66 -12.640   5.410   4.510
  425    HA   ASP  66           HA       ASP  66 -14.248   2.955   4.100
  426   1HB   ASP  66          2HB       ASP  66 -13.720   5.237   2.172
  427   2HB   ASP  66          1HB       ASP  66 -14.996   4.013   2.088
  428    H    VAL  67           H        VAL  67 -13.848   1.942   1.847
  429    HA   VAL  67           HA       VAL  67 -10.960   1.270   1.687
  430    HB   VAL  67           HB       VAL  67 -13.391   0.130   0.257
  431   1HG1  VAL  67          1HG1      VAL  67 -10.559  -0.877   0.423
  432   2HG1  VAL  67          2HG1      VAL  67 -11.275  -0.162  -1.016
  433   3HG1  VAL  67          3HG1      VAL  67 -11.876  -1.681  -0.391
  434   1HG2  VAL  67          1HG2      VAL  67 -13.429  -0.298   2.664
  435   2HG2  VAL  67          2HG2      VAL  67 -11.758  -0.860   2.619
  436   3HG2  VAL  67          3HG2      VAL  67 -13.024  -1.782   1.807
  437    H    TYR  68           H        TYR  68  -9.761   1.551  -0.300
  438    HA   TYR  68           HA       TYR  68 -10.095   3.913  -1.684
  439   1HB   TYR  68          2HB       TYR  68  -8.045   2.664  -1.911
  440   2HB   TYR  68          1HB       TYR  68  -8.887   1.357  -2.758
  441    HD1  TYR  68           1HD      TYR  68  -7.231   4.525  -3.118
  442    HD2  TYR  68           2HD      TYR  68 -10.080   1.905  -4.967
  443    HE1  TYR  68           1HE      TYR  68  -6.942   5.710  -5.270
  444    HE2  TYR  68           2HE      TYR  68  -9.824   3.117  -7.087
  445    HH   TYR  68           HH       TYR  68  -8.763   5.949  -7.520
  446    H    SER  69           H        SER  69 -11.738   4.660  -2.904
  447    HA   SER  69           HA       SER  69 -13.082   2.733  -4.769
  448   1HB   SER  69          2HB       SER  69 -14.746   2.848  -3.141
  449   2HB   SER  69          1HB       SER  69 -14.314   4.495  -2.662
  450    HG   SER  69           HG       SER  69 -15.801   3.626  -4.893
  451    H    GLY  70           H        GLY  70 -11.113   5.229  -4.769
  452   1HA   GLY  70          2HA       GLY  70 -11.039   6.232  -7.128
  453   2HA   GLY  70          1HA       GLY  70 -12.649   6.854  -6.769
  454    H    GLY  71           H        GLY  71  -9.938   8.196  -7.216
  455   1HA   GLY  71          2HA       GLY  71 -10.005  10.558  -6.100
  456   2HA   GLY  71          1HA       GLY  71  -9.703   9.670  -4.607
  457    H    SER  72           H        SER  72  -7.588   9.896  -4.065
  458    HA   SER  72           HA       SER  72  -5.549  10.537  -5.975
  459   1HB   SER  72          2HB       SER  72  -4.033   9.806  -3.919
  460   2HB   SER  72          1HB       SER  72  -5.015  11.273  -3.853
  461    HG   SER  72           HG       SER  72  -5.223   9.762  -2.025
  462    HA   PRO  73           HA       PRO  73  -4.971   6.216  -7.207
  463   1HB   PRO  73          2HB       PRO  73  -3.179   6.765  -9.208
  464   2HB   PRO  73          1HB       PRO  73  -4.923   6.954  -9.373
  465   1HG   PRO  73          2HG       PRO  73  -2.836   9.076  -9.044
  466   2HG   PRO  73          1HG       PRO  73  -4.409   9.168  -9.849
  467   1HD   PRO  73          2HD       PRO  73  -3.809  10.148  -7.259
  468   2HD   PRO  73          1HD       PRO  73  -5.425   9.939  -7.959
  469    H    GLY  74           H        GLY  74  -2.026   8.301  -7.252
  470   1HA   GLY  74          2HA       GLY  74  -0.511   6.098  -6.043
  471   2HA   GLY  74          1HA       GLY  74   0.140   7.498  -6.798
  472    H    ALA  75           H        ALA  75   0.914   9.051  -5.405
  473    HA   ALA  75           HA       ALA  75   1.275  10.250  -3.469
  474   1HB   ALA  75          1HB       ALA  75  -1.628   9.496  -2.976
  475   2HB   ALA  75          2HB       ALA  75  -1.033  10.928  -3.786
  476   3HB   ALA  75          3HB       ALA  75  -0.723  10.700  -2.070
  477    H    ASP  76           H        ASP  76  -1.025   8.027  -1.864
  478    HA   ASP  76           HA       ASP  76   1.319   6.897  -0.389
  479   1HB   ASP  76          2HB       ASP  76  -1.445   7.433   0.745
  480   2HB   ASP  76          1HB       ASP  76  -0.001   6.906   1.624
  481    H    ARG  77           H        ARG  77   1.433   4.720  -0.360
  482    HA   ARG  77           HA       ARG  77  -1.009   3.077  -0.654
  483   1HB   ARG  77          2HB       ARG  77   0.438   1.743  -2.484
  484   2HB   ARG  77          1HB       ARG  77  -0.670   3.032  -2.884
  485   1HG   ARG  77          2HG       ARG  77   2.126   3.862  -2.209
  486   2HG   ARG  77          1HG       ARG  77   1.897   2.981  -3.705
  487   1HD   ARG  77          2HD       ARG  77   0.676   5.624  -2.956
  488   2HD   ARG  77          1HD       ARG  77   1.659   5.215  -4.342
  489    HE   ARG  77           HE       ARG  77  -1.154   4.639  -3.938
  490   1HH1  ARG  77          1HH1      ARG  77   0.845   4.838  -6.612
  491   2HH1  ARG  77          2HH1      ARG  77   0.438   3.309  -7.282
  492   1HH2  ARG  77          1HH2      ARG  77  -1.381   2.284  -4.509
  493   2HH2  ARG  77          2HH2      ARG  77  -0.756   1.835  -6.050
  494    H    VAL  78           H        VAL  78  -0.672   1.910   1.181
  495    HA   VAL  78           HA       VAL  78   1.998   1.165   2.072
  496    HB   VAL  78           HB       VAL  78   0.240   1.628   3.693
  497   1HG1  VAL  78          1HG1      VAL  78  -1.668   0.146   3.947
  498   2HG1  VAL  78          2HG1      VAL  78  -1.108  -0.856   2.632
  499   3HG1  VAL  78          3HG1      VAL  78  -1.665   0.772   2.315
  500   1HG2  VAL  78          1HG2      VAL  78   0.979  -1.316   3.777
  501   2HG2  VAL  78          2HG2      VAL  78   0.573  -0.275   5.122
  502   3HG2  VAL  78          3HG2      VAL  78   2.073  -0.010   4.247
  503    H    VAL  79           H        VAL  79   3.019  -0.794   1.852
  504    HA   VAL  79           HA       VAL  79   1.714  -2.793   0.066
  505    HB   VAL  79           HB       VAL  79   4.579  -2.303   0.892
  506   1HG1  VAL  79          1HG1      VAL  79   4.145  -4.787   0.826
  507   2HG1  VAL  79          2HG1      VAL  79   5.181  -4.257  -0.454
  508   3HG1  VAL  79          3HG1      VAL  79   3.487  -4.576  -0.774
  509   1HG2  VAL  79          1HG2      VAL  79   4.944  -1.784  -1.363
  510   2HG2  VAL  79          2HG2      VAL  79   3.391  -1.023  -0.980
  511   3HG2  VAL  79          3HG2      VAL  79   3.430  -2.525  -1.886
  512    H    PHE  80           H        PHE  80   2.125  -5.117   0.662
  513    HA   PHE  80           HA       PHE  80   2.598  -5.656   3.493
  514   1HB   PHE  80          2HB       PHE  80   0.248  -6.518   3.818
  515   2HB   PHE  80          1HB       PHE  80   0.373  -4.780   3.575
  516    HD1  PHE  80           1HD      PHE  80  -1.180  -7.765   2.437
  517    HD2  PHE  80           2HD      PHE  80   0.081  -3.874   1.139
  518    HE1  PHE  80           1HE      PHE  80  -2.709  -7.901   0.489
  519    HE2  PHE  80           2HE      PHE  80  -1.406  -4.019  -0.808
  520    HZ   PHE  80           HZ       PHE  80  -2.822  -6.028  -1.134
  521    H    ASN  81           H        ASN  81   1.602  -8.115   3.807
  522    HA   ASN  81           HA       ASN  81   2.762  -9.624   1.499
  523   1HB   ASN  81          2HB       ASN  81   4.013 -10.029   3.513
  524   2HB   ASN  81          1HB       ASN  81   2.538 -10.296   4.431
  525   1HD2  ASN  81          1HD2      ASN  81   3.275 -11.555   1.166
  526   2HD2  ASN  81          2HD2      ASN  81   3.193 -13.198   1.657
  527    H    GLU  82           H        GLU  82   0.651 -10.748   4.113
  528    HA   GLU  82           HA       GLU  82  -1.662 -10.998   2.356
  529   1HB   GLU  82          2HB       GLU  82  -1.742 -13.465   2.385
  530   2HB   GLU  82          1HB       GLU  82  -0.257 -12.903   1.601
  531   1HG   GLU  82          2HG       GLU  82   0.858 -13.162   3.896
  532   2HG   GLU  82          1HG       GLU  82  -0.585 -14.024   4.384
  533    H    ASN  83           H        ASN  83  -0.765 -10.025   5.090
  534    HA   ASN  83           HA       ASN  83  -3.113 -11.032   6.536
  535   1HB   ASN  83          2HB       ASN  83  -1.422 -12.624   7.298
  536   2HB   ASN  83          1HB       ASN  83  -0.271 -11.313   7.592
  537   1HD2  ASN  83          1HD2      ASN  83  -3.763 -11.361   8.424
  538   2HD2  ASN  83          2HD2      ASN  83  -3.472 -11.194  10.109
  539    H    ASN  84           H        ASN  84  -2.878  -8.587   5.435
  540    HA   ASN  84           HA       ASN  84  -2.676  -6.309   5.840
  541   1HB   ASN  84          2HB       ASN  84  -3.754  -5.570   7.882
  542   2HB   ASN  84          1HB       ASN  84  -4.598  -7.020   7.329
  543   1HD2  ASN  84          1HD2      ASN  84  -4.914  -8.548   8.919
  544   2HD2  ASN  84          2HD2      ASN  84  -3.937  -8.696  10.337
  545    H    GLN  85           H        GLN  85  -0.277  -8.008   6.280
  546    HA   GLN  85           HA       GLN  85   1.147  -7.077   8.590
  547   1HB   GLN  85          2HB       GLN  85   1.756  -8.566   6.083
  548   2HB   GLN  85          1HB       GLN  85   3.125  -7.673   6.723
  549   1HG   GLN  85          2HG       GLN  85   2.803  -8.727   8.926
  550   2HG   GLN  85          1HG       GLN  85   1.449  -9.659   8.263
  551   1HE2  GLN  85          1HE2      GLN  85   4.486 -10.198   9.129
  552   2HE2  GLN  85          2HE2      GLN  85   4.980 -11.282   7.878
  553    H    LEU  86           H        LEU  86   3.553  -5.974   7.481
  554    HA   LEU  86           HA       LEU  86   2.599  -3.626   5.969
  555   1HB   LEU  86          2HB       LEU  86   2.633  -3.358   8.631
  556   2HB   LEU  86          1HB       LEU  86   4.356  -3.101   8.369
  557    HG   LEU  86           HG       LEU  86   3.408  -0.925   8.236
  558   1HD1  LEU  86          1HD1      LEU  86   4.953  -1.582   6.328
  559   2HD1  LEU  86          2HD1      LEU  86   3.867  -0.246   6.010
  560   3HD1  LEU  86          3HD1      LEU  86   3.501  -1.814   5.336
  561   1HD2  LEU  86          1HD2      LEU  86   1.335  -2.010   6.301
  562   2HD2  LEU  86          2HD2      LEU  86   1.424  -0.392   6.995
  563   3HD2  LEU  86          3HD2      LEU  86   1.045  -1.764   8.025
  564    H    ALA  87           H        ALA  87   3.881  -3.849   4.218
  565    HA   ALA  87           HA       ALA  87   6.687  -4.704   4.455
  566   1HB   ALA  87          1HB       ALA  87   6.716  -4.571   2.062
  567   2HB   ALA  87          2HB       ALA  87   5.323  -3.541   2.070
  568   3HB   ALA  87          3HB       ALA  87   5.131  -5.216   2.505
  569    H    GLY  88           H        GLY  88   4.849  -1.733   3.851
  570   1HA   GLY  88          2HA       GLY  88   6.375   0.151   5.038
  571   2HA   GLY  88          1HA       GLY  88   7.320  -0.134   3.575
  572    H    VAL  89           H        VAL  89   5.511   2.172   4.577
  573    HA   VAL  89           HA       VAL  89   3.426   2.253   2.505
  574    HB   VAL  89           HB       VAL  89   4.338   4.188   4.591
  575   1HG1  VAL  89          1HG1      VAL  89   3.706   5.686   2.920
  576   2HG1  VAL  89          2HG1      VAL  89   2.220   5.469   3.823
  577   3HG1  VAL  89          3HG1      VAL  89   2.455   4.605   2.305
  578   1HG2  VAL  89          1HG2      VAL  89   1.773   2.704   4.120
  579   2HG2  VAL  89          2HG2      VAL  89   2.033   3.791   5.447
  580   3HG2  VAL  89          3HG2      VAL  89   2.947   2.286   5.344
  581    H    ILE  90           H        ILE  90   4.353   2.358   0.491
  582    HA   ILE  90           HA       ILE  90   6.578   4.248  -0.031
  583    HB   ILE  90           HB       ILE  90   6.465   3.366  -2.295
  584   1HG1  ILE  90          2HG1      ILE  90   3.793   2.514  -1.435
  585   2HG1  ILE  90          1HG1      ILE  90   4.431   2.647  -3.047
  586   1HG2  ILE  90          1HG2      ILE  90   6.358   1.198  -0.185
  587   2HG2  ILE  90          2HG2      ILE  90   7.749   2.203  -0.561
  588   3HG2  ILE  90          3HG2      ILE  90   7.156   1.073  -1.760
  589   1HD1  ILE  90          1HD1      ILE  90   5.479   0.433  -2.844
  590   2HD1  ILE  90          2HD1      ILE  90   3.747   0.364  -2.552
  591   3HD1  ILE  90          3HD1      ILE  90   4.861   0.317  -1.197
  592    H    THR  91           H        THR  91   6.317   5.943  -1.739
  593    HA   THR  91           HA       THR  91   3.499   6.897  -1.875
  594    HB   THR  91           HB       THR  91   5.002   8.229  -0.394
  595    HG1  THR  91           1HG      THR  91   3.357   9.429  -1.158
  596   1HG2  THR  91          1HG2      THR  91   7.084   7.970  -1.586
  597   2HG2  THR  91          2HG2      THR  91   6.682   9.673  -1.485
  598   3HG2  THR  91          3HG2      THR  91   6.434   8.813  -2.994
  599    H    HIS  92           H        HIS  92   2.987   8.246  -3.742
  600    HA   HIS  92           HA       HIS  92   4.635   7.566  -6.124
  601   1HB   HIS  92          2HB       HIS  92   1.852   7.206  -5.557
  602   2HB   HIS  92          1HB       HIS  92   1.985   8.307  -6.939
  603    HD1  HIS  92           1HD      HIS  92   4.027   5.255  -5.926
  604    HD2  HIS  92           2HD      HIS  92   1.721   6.665  -9.100
  605    HE1  HIS  92           1HE      HIS  92   4.251   3.576  -7.797
  606    HE2  HIS  92           2HE      HIS  92   2.560   4.240  -9.548
  607    H    THR  93           H        THR  93   5.806   9.583  -5.361
  608    HA   THR  93           HA       THR  93   5.061  11.780  -7.024
  609    HB   THR  93           HB       THR  93   4.884  12.902  -4.292
  610    HG1  THR  93           1HG      THR  93   3.029  11.944  -3.675
  611   1HG2  THR  93          1HG2      THR  93   3.032  12.982  -6.689
  612   2HG2  THR  93          2HG2      THR  93   4.339  14.122  -6.361
  613   3HG2  THR  93          3HG2      THR  93   2.956  14.032  -5.274
  614    H    GLY  94           H        GLY  94   6.906  12.985  -7.358
  615   1HA   GLY  94          2HA       GLY  94   8.930  14.076  -6.691
  616   2HA   GLY  94          1HA       GLY  94   8.982  13.111  -5.218
  617    H    ALA  95           H        ALA  95   8.231  10.869  -7.499
  618    HA   ALA  95           HA       ALA  95  11.113  10.360  -8.140
  619   1HB   ALA  95          1HB       ALA  95  10.229   8.781  -6.474
  620   2HB   ALA  95          2HB       ALA  95  10.585   7.969  -7.997
  621   3HB   ALA  95          3HB       ALA  95   8.915   8.351  -7.566
  622    H    SER  96           H        SER  96  11.545   9.572 -10.233
  623    HA   SER  96           HA       SER  96  10.094  10.496 -12.392
  624   1HB   SER  96          2HB       SER  96  11.622   7.863 -12.283
  625   2HB   SER  96          1HB       SER  96  11.210   8.755 -13.755
  626    HG   SER  96           HG       SER  96  13.102   9.352 -11.782
  627    H    GLY  97           H        GLY  97   7.980  10.117 -12.959
  628   1HA   GLY  97          2HA       GLY  97   5.971   8.963 -13.311
  629   2HA   GLY  97          1HA       GLY  97   6.912   7.469 -13.317
  630    H    ASN  98           H        ASN  98   6.536   9.906 -10.744
  631    HA   ASN  98           HA       ASN  98   6.241   9.498  -8.460
  632   1HB   ASN  98          2HB       ASN  98   3.655   8.235  -8.765
  633   2HB   ASN  98          1HB       ASN  98   4.054   9.870  -8.347
  634   1HD2  ASN  98          1HD2      ASN  98   3.639   7.789 -11.204
  635   2HD2  ASN  98          2HD2      ASN  98   3.163   9.102 -12.218
  636    H    ASN  99           H        ASN  99   7.813   7.374  -9.486
  637    HA   ASN  99           HA       ASN  99   6.784   4.795  -9.041
  638   1HB   ASN  99          2HB       ASN  99   9.278   5.842  -9.688
  639   2HB   ASN  99          1HB       ASN  99   9.580   5.167  -8.085
  640   1HD2  ASN  99          1HD2      ASN  99  10.872   3.935 -10.131
  641   2HD2  ASN  99          2HD2      ASN  99  10.113   2.426 -10.493
  642    H    PHE 100           H        PHE 100   7.458   3.376  -7.107
  643    HA   PHE 100           HA       PHE 100   6.382   4.613  -4.702
  644   1HB   PHE 100          2HB       PHE 100   7.746   1.966  -4.451
  645   2HB   PHE 100          1HB       PHE 100   6.211   2.506  -3.870
  646    HD1  PHE 100           1HD      PHE 100   7.956   1.097  -6.721
  647    HD2  PHE 100           2HD      PHE 100   4.178   2.424  -5.175
  648    HE1  PHE 100           1HE      PHE 100   6.786  -0.077  -8.570
  649    HE2  PHE 100           2HE      PHE 100   3.009   1.258  -7.022
  650    HZ   PHE 100           HZ       PHE 100   4.311   0.006  -8.719
  651    H    VAL 101           H        VAL 101   7.529   4.955  -2.732
  652    HA   VAL 101           HA       VAL 101  10.397   4.508  -2.568
  653    HB   VAL 101           HB       VAL 101  10.523   7.193  -2.084
  654   1HG1  VAL 101          1HG1      VAL 101  10.828   6.055  -4.872
  655   2HG1  VAL 101          2HG1      VAL 101  11.954   5.678  -3.569
  656   3HG1  VAL 101          3HG1      VAL 101  11.741   7.341  -4.100
  657   1HG2  VAL 101          1HG2      VAL 101   8.059   7.186  -3.033
  658   2HG2  VAL 101          2HG2      VAL 101   8.851   7.080  -4.587
  659   3HG2  VAL 101          3HG2      VAL 101   9.185   8.437  -3.514
  660    H    GLU 102           H        GLU 102  10.716   3.998  -0.465
  661    HA   GLU 102           HA       GLU 102   8.881   3.996   1.554
  662   1HB   GLU 102          2HB       GLU 102  10.816   4.135   3.171
  663   2HB   GLU 102          1HB       GLU 102  11.048   2.962   1.868
  664   1HG   GLU 102          2HG       GLU 102  12.653   4.184   0.808
  665   2HG   GLU 102          1HG       GLU 102  12.060   5.740   1.367
  666    H    CYS 103           H        CYS 103   7.875   5.517   2.821
  667    HA   CYS 103           HA       CYS 103   8.601   8.364   2.365
  668   1HB   CYS 103          2HB       CYS 103   6.154   6.878   3.097
  669   2HB   CYS 103          1HB       CYS 103   6.396   8.318   4.095
  670    H    THR 104           H        THR 104   9.902   9.382   3.802
  671    HA   THR 104           HA       THR 104  10.444   8.099   6.420
  672    HB   THR 104           HB       THR 104  12.118  10.022   6.614
  673    HG1  THR 104           1HG      THR 104  12.318  11.381   4.910
  674   1HG2  THR 104          1HG2      THR 104  12.280   8.288   4.133
  675   2HG2  THR 104          2HG2      THR 104  12.760   7.804   5.762
  676   3HG2  THR 104          3HG2      THR 104  13.632   9.091   4.931
  Start of MODEL   22
    1   1H    ALA   1          1HT       ALA   1   0.521  12.220  16.181
    2   2H    ALA   1          2HT       ALA   1  -0.320  12.021  17.659
    3   3H    ALA   1          3HT       ALA   1  -1.137  11.771  16.166
    4    HA   ALA   1           HA       ALA   1   1.108  10.156  17.249
    5   1HB   ALA   1          1HB       ALA   1  -0.609   8.397  17.457
    6   2HB   ALA   1          2HB       ALA   1  -1.841   9.539  16.909
    7   3HB   ALA   1          3HB       ALA   1  -1.008   9.807  18.439
    8    H    CYS   2           H        CYS   2   2.282   9.430  15.510
    9    HA   CYS   2           HA       CYS   2   1.291   7.854  13.484
   10   1HB   CYS   2          2HB       CYS   2   1.400   9.632  11.530
   11   2HB   CYS   2          1HB       CYS   2  -0.068   9.487  12.488
   12    H    ASP   3           H        ASP   3   3.001   7.013  12.306
   13    HA   ASP   3           HA       ASP   3   5.616   8.471  12.547
   14   1HB   ASP   3          2HB       ASP   3   5.515   6.319  13.796
   15   2HB   ASP   3          1HB       ASP   3   5.120   5.479  12.291
   16    H    TYR   4           H        TYR   4   3.263   7.087  10.393
   17    HA   TYR   4           HA       TYR   4   5.175   7.145   8.127
   18   1HB   TYR   4          2HB       TYR   4   2.399   6.034   8.579
   19   2HB   TYR   4          1HB       TYR   4   2.936   6.364   6.925
   20    HD1  TYR   4           1HD      TYR   4   5.541   5.634   6.547
   21    HD2  TYR   4           2HD      TYR   4   2.734   3.838   9.251
   22    HE1  TYR   4           1HE      TYR   4   6.848   3.527   6.500
   23    HE2  TYR   4           2HE      TYR   4   4.036   1.726   9.207
   24    HH   TYR   4           HH       TYR   4   6.983   1.368   7.198
   25    H    THR   5           H        THR   5   5.467   9.161   7.306
   26    HA   THR   5           HA       THR   5   3.029  10.701   6.553
   27    HB   THR   5           HB       THR   5   4.438  12.799   7.399
   28    HG1  THR   5           1HG      THR   5   5.348  10.829   9.252
   29   1HG2  THR   5          1HG2      THR   5   3.125  11.009   9.442
   30   2HG2  THR   5          2HG2      THR   5   2.222  11.942   8.261
   31   3HG2  THR   5          3HG2      THR   5   3.239  12.762   9.450
   32    H    CYS   6           H        CYS   6   3.311  11.916   4.677
   33    HA   CYS   6           HA       CYS   6   6.060  11.894   3.466
   34   1HB   CYS   6          2HB       CYS   6   3.596  10.620   2.516
   35   2HB   CYS   6          1HB       CYS   6   4.235  11.759   1.327
   36    H    GLY   7           H        GLY   7   3.868  13.776   4.712
   37   1HA   GLY   7          2HA       GLY   7   4.755  16.141   3.322
   38   2HA   GLY   7          1HA       GLY   7   3.090  15.732   2.900
   39    H    SER   8           H        SER   8   5.001  15.646   5.931
   40    HA   SER   8           HA       SER   8   4.451  16.408   8.058
   41   1HB   SER   8          2HB       SER   8   3.313  18.535   6.238
   42   2HB   SER   8          1HB       SER   8   3.004  18.621   7.968
   43    HG   SER   8           HG       SER   8   5.459  18.740   6.607
   44    H    ASN   9           H        ASN   9   2.538  14.598   6.439
   45    HA   ASN   9           HA       ASN   9  -0.105  15.260   7.443
   46   1HB   ASN   9          2HB       ASN   9   1.023  13.440   5.546
   47   2HB   ASN   9          1HB       ASN   9   0.159  12.447   6.700
   48   1HD2  ASN   9          1HD2      ASN   9  -0.315  13.844   3.834
   49   2HD2  ASN   9          2HD2      ASN   9  -1.984  14.264   3.980
   50    H    CYS  10           H        CYS  10  -0.855  12.583   8.351
   51    HA   CYS  10           HA       CYS  10   0.899  12.014  10.601
   52   1HB   CYS  10          2HB       CYS  10  -0.505  13.946  11.396
   53   2HB   CYS  10          1HB       CYS  10  -1.956  12.976  11.097
   54    H    TYR  11           H        TYR  11   0.543  10.208   8.765
   55    HA   TYR  11           HA       TYR  11  -1.878   8.586   9.263
   56   1HB   TYR  11          2HB       TYR  11   0.503   8.384   7.419
   57   2HB   TYR  11          1HB       TYR  11  -0.502   6.962   7.697
   58    HD1  TYR  11           1HD      TYR  11  -1.564  10.549   7.623
   59    HD2  TYR  11           2HD      TYR  11  -1.627   6.741   5.637
   60    HE1  TYR  11           1HE      TYR  11  -3.225  11.420   6.051
   61    HE2  TYR  11           2HE      TYR  11  -3.303   7.634   4.034
   62    HH   TYR  11           HH       TYR  11  -3.864  10.347   3.241
   63    H    SER  12           H        SER  12  -1.944   7.332  11.055
   64    HA   SER  12           HA       SER  12   0.531   6.588  12.428
   65   1HB   SER  12          2HB       SER  12  -1.371   7.175  13.801
   66   2HB   SER  12          1HB       SER  12  -2.372   5.956  13.002
   67    HG   SER  12           HG       SER  12  -0.237   5.594  14.809
   68    H    SER  13           H        SER  13   1.524   4.625  12.410
   69    HA   SER  13           HA       SER  13   1.204   2.814  10.311
   70   1HB   SER  13          2HB       SER  13   2.384   1.156  11.777
   71   2HB   SER  13          1HB       SER  13   3.151   2.748  11.793
   72    HG   SER  13           HG       SER  13   2.375   3.127  13.792
   73    H    SER  14           H        SER  14  -0.553   3.018  13.360
   74    HA   SER  14           HA       SER  14  -1.867   0.464  13.132
   75   1HB   SER  14          2HB       SER  14  -1.632   1.960  15.216
   76   2HB   SER  14          1HB       SER  14  -2.988   2.892  14.571
   77    HG   SER  14           HG       SER  14  -3.625   1.170  15.999
   78    H    ASP  15           H        ASP  15  -2.725   3.787  12.152
   79    HA   ASP  15           HA       ASP  15  -5.350   3.100  11.203
   80   1HB   ASP  15          2HB       ASP  15  -3.980   5.468  11.535
   81   2HB   ASP  15          1HB       ASP  15  -3.907   5.299   9.777
   82    H    VAL  16           H        VAL  16  -2.124   2.902   9.887
   83    HA   VAL  16           HA       VAL  16  -2.909   2.500   7.144
   84    HB   VAL  16           HB       VAL  16  -0.411   1.319   8.406
   85   1HG1  VAL  16          1HG1      VAL  16  -1.041   2.528   5.684
   86   2HG1  VAL  16          2HG1      VAL  16  -0.872   0.808   6.041
   87   3HG1  VAL  16          3HG1      VAL  16   0.516   1.884   6.199
   88   1HG2  VAL  16          1HG2      VAL  16  -0.375   3.513   9.236
   89   2HG2  VAL  16          2HG2      VAL  16  -1.059   4.213   7.797
   90   3HG2  VAL  16          3HG2      VAL  16   0.597   3.607   7.801
   91    H    SER  17           H        SER  17  -2.536   0.409   9.963
   92    HA   SER  17           HA       SER  17  -2.548  -2.107   8.711
   93   1HB   SER  17          2HB       SER  17  -2.619  -1.233  11.320
   94   2HB   SER  17          1HB       SER  17  -4.225  -1.945  11.154
   95    HG   SER  17           HG       SER  17  -1.696  -3.154  10.862
   96    H    THR  18           H        THR  18  -5.332  -0.086   9.707
   97    HA   THR  18           HA       THR  18  -7.345  -1.911   8.818
   98    HB   THR  18           HB       THR  18  -8.611   0.468   8.495
   99    HG1  THR  18           1HG      THR  18  -7.559   2.084   9.524
  100   1HG2  THR  18          1HG2      THR  18  -9.093   0.425  10.887
  101   2HG2  THR  18          2HG2      THR  18  -7.719  -0.643  11.166
  102   3HG2  THR  18          3HG2      THR  18  -9.101  -1.210  10.225
  103    H    ALA  19           H        ALA  19  -6.025   0.979   7.175
  104    HA   ALA  19           HA       ALA  19  -7.324   0.326   4.658
  105   1HB   ALA  19          1HB       ALA  19  -5.173   1.968   4.050
  106   2HB   ALA  19          2HB       ALA  19  -5.609   2.427   5.708
  107   3HB   ALA  19          3HB       ALA  19  -6.811   2.499   4.426
  108    H    GLN  20           H        GLN  20  -4.747  -1.128   6.247
  109    HA   GLN  20           HA       GLN  20  -3.368  -1.840   3.769
  110   1HB   GLN  20          2HB       GLN  20  -1.963  -1.102   5.684
  111   2HB   GLN  20          1HB       GLN  20  -2.612  -2.429   6.655
  112   1HG   GLN  20          2HG       GLN  20  -0.411  -2.967   5.723
  113   2HG   GLN  20          1HG       GLN  20  -1.634  -4.048   5.071
  114   1HE2  GLN  20          1HE2      GLN  20  -2.526  -3.365   2.839
  115   2HE2  GLN  20          2HE2      GLN  20  -1.511  -2.429   1.825
  116    H    ALA  21           H        ALA  21  -5.698  -2.966   5.995
  117    HA   ALA  21           HA       ALA  21  -5.279  -5.804   5.335
  118   1HB   ALA  21          1HB       ALA  21  -5.844  -5.222   7.652
  119   2HB   ALA  21          2HB       ALA  21  -7.121  -6.194   6.925
  120   3HB   ALA  21          3HB       ALA  21  -7.329  -4.450   7.099
  121    H    ALA  22           H        ALA  22  -7.009  -3.063   4.233
  122    HA   ALA  22           HA       ALA  22  -9.305  -4.485   3.148
  123   1HB   ALA  22          1HB       ALA  22  -8.158  -1.755   2.472
  124   2HB   ALA  22          2HB       ALA  22  -9.410  -2.083   3.669
  125   3HB   ALA  22          3HB       ALA  22  -9.735  -2.362   1.958
  126    H    GLY  23           H        GLY  23  -6.266  -3.138   1.783
  127   1HA   GLY  23          2HA       GLY  23  -6.723  -4.019  -0.886
  128   2HA   GLY  23          1HA       GLY  23  -5.133  -3.718  -0.190
  129    H    TYR  24           H        TYR  24  -5.738  -5.694   2.003
  130    HA   TYR  24           HA       TYR  24  -4.756  -8.049   0.569
  131   1HB   TYR  24          2HB       TYR  24  -3.717  -7.641   2.689
  132   2HB   TYR  24          1HB       TYR  24  -5.278  -7.382   3.466
  133    HD1  TYR  24           1HD      TYR  24  -5.967  -9.096   4.858
  134    HD2  TYR  24           2HD      TYR  24  -3.675 -10.046   1.353
  135    HE1  TYR  24           1HE      TYR  24  -6.051 -11.493   5.461
  136    HE2  TYR  24           2HE      TYR  24  -3.773 -12.454   1.943
  137    HH   TYR  24           HH       TYR  24  -5.880 -13.788   4.001
  138    H    GLN  25           H        GLN  25  -7.720  -7.020   2.226
  139    HA   GLN  25           HA       GLN  25  -9.006  -9.571   2.198
  140   1HB   GLN  25          2HB       GLN  25  -9.658  -7.073   3.165
  141   2HB   GLN  25          1HB       GLN  25 -10.744  -7.179   1.779
  142   1HG   GLN  25          2HG       GLN  25 -10.856  -9.714   3.099
  143   2HG   GLN  25          1HG       GLN  25 -10.917  -8.466   4.351
  144   1HE2  GLN  25          1HE2      GLN  25 -13.042 -10.293   2.982
  145   2HE2  GLN  25          2HE2      GLN  25 -14.297  -9.165   2.618
  146    H    LEU  26           H        LEU  26  -9.163  -6.828  -0.081
  147    HA   LEU  26           HA       LEU  26 -10.831  -8.152  -1.999
  148   1HB   LEU  26          2HB       LEU  26  -9.186  -5.698  -1.849
  149   2HB   LEU  26          1HB       LEU  26  -9.141  -6.443  -3.440
  150    HG   LEU  26           HG       LEU  26 -11.441  -6.252  -3.801
  151   1HD1  LEU  26          1HD1      LEU  26 -12.905  -5.417  -1.805
  152   2HD1  LEU  26          2HD1      LEU  26 -11.597  -6.018  -0.792
  153   3HD1  LEU  26          3HD1      LEU  26 -12.464  -7.113  -1.872
  154   1HD2  LEU  26          1HD2      LEU  26 -10.284  -4.074  -3.871
  155   2HD2  LEU  26          2HD2      LEU  26 -10.631  -3.831  -2.158
  156   3HD2  LEU  26          3HD2      LEU  26 -11.951  -3.894  -3.328
  157    H    HIS  27           H        HIS  27  -7.319  -8.041  -1.586
  158    HA   HIS  27           HA       HIS  27  -6.668  -9.466  -3.973
  159   1HB   HIS  27          2HB       HIS  27  -4.824  -8.452  -2.908
  160   2HB   HIS  27          1HB       HIS  27  -5.285  -9.066  -1.313
  161    HD1  HIS  27           1HD      HIS  27  -4.806 -11.011  -4.559
  162    HD2  HIS  27           2HD      HIS  27  -3.234 -10.798  -0.700
  163    HE1  HIS  27           1HE      HIS  27  -3.162 -12.917  -4.351
  164    HE2  HIS  27           2HE      HIS  27  -2.446 -12.957  -1.926
  165    H    GLU  28           H        GLU  28  -8.079 -10.534  -0.970
  166    HA   GLU  28           HA       GLU  28  -7.373 -13.347  -1.480
  167   1HB   GLU  28          2HB       GLU  28  -7.507 -12.182   0.844
  168   2HB   GLU  28          1HB       GLU  28  -9.255 -12.353   0.676
  169   1HG   GLU  28          2HG       GLU  28  -9.056 -14.435   1.454
  170   2HG   GLU  28          1HG       GLU  28  -8.257 -14.878  -0.060
  171    H    ASP  29           H        ASP  29 -10.136 -11.154  -1.770
  172    HA   ASP  29           HA       ASP  29 -11.905 -13.435  -2.482
  173   1HB   ASP  29          2HB       ASP  29 -12.268 -10.585  -1.696
  174   2HB   ASP  29          1HB       ASP  29 -13.415 -11.179  -2.901
  175    H    GLY  30           H        GLY  30  -9.536 -11.988  -4.114
  176   1HA   GLY  30          2HA       GLY  30  -9.151 -11.443  -6.340
  177   2HA   GLY  30          1HA       GLY  30 -10.289 -12.753  -6.657
  178    H    GLU  31           H        GLU  31 -11.359  -9.943  -4.854
  179    HA   GLU  31           HA       GLU  31 -13.276  -9.362  -7.013
  180   1HB   GLU  31          2HB       GLU  31 -13.733  -9.461  -4.429
  181   2HB   GLU  31          1HB       GLU  31 -13.076  -7.832  -4.397
  182   1HG   GLU  31          2HG       GLU  31 -15.164  -7.167  -4.928
  183   2HG   GLU  31          1HG       GLU  31 -14.803  -7.710  -6.571
  184    H    THR  32           H        THR  32 -13.165  -6.420  -5.826
  185    HA   THR  32           HA       THR  32 -10.655  -5.360  -6.599
  186    HB   THR  32           HB       THR  32 -12.325  -4.262  -8.682
  187    HG1  THR  32           1HG      THR  32 -13.069  -6.041  -9.702
  188   1HG2  THR  32          1HG2      THR  32 -10.502  -4.611  -9.876
  189   2HG2  THR  32          2HG2      THR  32 -10.320  -6.282  -9.432
  190   3HG2  THR  32          3HG2      THR  32  -9.711  -5.023  -8.367
  191    H    VAL  33           H        VAL  33 -10.890  -2.893  -6.914
  192    HA   VAL  33           HA       VAL  33 -12.696  -1.938  -4.788
  193    HB   VAL  33           HB       VAL  33 -11.533   0.212  -5.117
  194   1HG1  VAL  33          1HG1      VAL  33  -9.614  -2.113  -5.132
  195   2HG1  VAL  33          2HG1      VAL  33 -10.521  -1.569  -3.723
  196   3HG1  VAL  33          3HG1      VAL  33  -9.319  -0.514  -4.455
  197   1HG2  VAL  33          1HG2      VAL  33  -9.447  -0.279  -6.841
  198   2HG2  VAL  33          2HG2      VAL  33 -10.885   0.645  -7.228
  199   3HG2  VAL  33          3HG2      VAL  33 -10.796  -1.040  -7.672
  200    H    GLY  34           H        GLY  34 -12.805   0.769  -6.404
  201   1HA   GLY  34          2HA       GLY  34 -15.429   0.712  -7.192
  202   2HA   GLY  34          1HA       GLY  34 -14.234   1.790  -7.912
  203    H    SER  35           H        SER  35 -12.601   0.088  -9.258
  204    HA   SER  35           HA       SER  35 -13.807  -1.990 -10.754
  205   1HB   SER  35          2HB       SER  35 -14.859   0.567 -11.490
  206   2HB   SER  35          1HB       SER  35 -13.771   0.088 -12.782
  207    HG   SER  35           HG       SER  35 -15.833  -0.766 -13.127
  208    H    ASN  36           H        ASN  36 -11.567   0.742 -10.735
  209    HA   ASN  36           HA       ASN  36  -9.836  -0.261 -12.800
  210   1HB   ASN  36          2HB       ASN  36  -9.399   1.662 -10.486
  211   2HB   ASN  36          1HB       ASN  36  -8.182   1.354 -11.732
  212   1HD2  ASN  36          1HD2      ASN  36 -10.669   3.439 -10.955
  213   2HD2  ASN  36          2HD2      ASN  36 -11.020   3.997 -12.552
  214    H    SER  37           H        SER  37 -10.453  -1.427  -9.653
  215    HA   SER  37           HA       SER  37  -9.434  -3.091  -8.442
  216   1HB   SER  37          2HB       SER  37  -7.223  -3.482 -10.410
  217   2HB   SER  37          1HB       SER  37  -8.237  -4.697  -9.667
  218    HG   SER  37           HG       SER  37  -9.968  -3.707 -11.133
  219    H    TYR  38           H        TYR  38  -6.838  -3.690  -7.859
  220    HA   TYR  38           HA       TYR  38  -4.915  -1.724  -7.920
  221   1HB   TYR  38          2HB       TYR  38  -7.138  -0.713  -6.409
  222   2HB   TYR  38          1HB       TYR  38  -5.841  -1.028  -5.278
  223    HD1  TYR  38           1HD      TYR  38  -6.994   1.212  -7.823
  224    HD2  TYR  38           2HD      TYR  38  -3.486  -0.255  -5.834
  225    HE1  TYR  38           1HE      TYR  38  -5.739   3.178  -8.606
  226    HE2  TYR  38           2HE      TYR  38  -2.245   1.702  -6.607
  227    HH   TYR  38           HH       TYR  38  -3.150   4.317  -7.343
  228    HA   PRO  39           HA       PRO  39  -4.133  -4.265  -3.945
  229   1HB   PRO  39          2HB       PRO  39  -5.985  -6.183  -3.319
  230   2HB   PRO  39          1HB       PRO  39  -5.976  -4.557  -2.685
  231   1HG   PRO  39          2HG       PRO  39  -7.740  -5.753  -4.764
  232   2HG   PRO  39          1HG       PRO  39  -8.098  -4.431  -3.639
  233   1HD   PRO  39          2HD       PRO  39  -7.442  -4.197  -6.340
  234   2HD   PRO  39          1HD       PRO  39  -7.438  -2.861  -5.190
  235    H    HIS  40           H        HIS  40  -2.498  -5.208  -5.148
  236    HA   HIS  40           HA       HIS  40  -2.969  -8.041  -5.923
  237   1HB   HIS  40          2HB       HIS  40  -1.149  -6.890  -7.871
  238   2HB   HIS  40          1HB       HIS  40  -2.681  -7.731  -8.132
  239    HD1  HIS  40           1HD      HIS  40  -4.809  -6.323  -8.370
  240    HD2  HIS  40           2HD      HIS  40  -1.332  -4.055  -7.969
  241    HE1  HIS  40           1HE      HIS  40  -5.376  -3.997  -9.118
  242    HE2  HIS  40           2HE      HIS  40  -3.252  -2.669  -9.056
  243    H    LYS  41           H        LYS  41  -0.531  -8.803  -6.757
  244    HA   LYS  41           HA       LYS  41   1.114  -8.312  -4.364
  245   1HB   LYS  41          2HB       LYS  41   0.878 -10.609  -4.783
  246   2HB   LYS  41          1HB       LYS  41   1.099 -10.404  -6.492
  247   1HG   LYS  41          2HG       LYS  41   3.458  -9.443  -5.082
  248   2HG   LYS  41          1HG       LYS  41   3.027 -11.045  -4.523
  249   1HD   LYS  41          2HD       LYS  41   2.797 -10.822  -7.446
  250   2HD   LYS  41          1HD       LYS  41   4.408 -10.418  -6.853
  251   1HE   LYS  41          2HE       LYS  41   3.083 -12.851  -5.701
  252   2HE   LYS  41          1HE       LYS  41   3.704 -12.926  -7.353
  253   1HZ   LYS  41          1HZ       LYS  41   5.861 -12.190  -6.574
  254   2HZ   LYS  41          2HZ       LYS  41   5.383 -13.582  -5.743
  255   3HZ   LYS  41          3HZ       LYS  41   5.286 -12.076  -4.982
  256    H    TYR  42           H        TYR  42   2.818  -6.931  -4.440
  257    HA   TYR  42           HA       TYR  42   3.888  -6.139  -7.095
  258   1HB   TYR  42          2HB       TYR  42   3.174  -4.184  -5.977
  259   2HB   TYR  42          1HB       TYR  42   3.745  -4.760  -4.403
  260    HD1  TYR  42           1HD      TYR  42   5.624  -3.678  -3.604
  261    HD2  TYR  42           2HD      TYR  42   5.187  -4.239  -7.839
  262    HE1  TYR  42           1HE      TYR  42   7.789  -2.529  -3.976
  263    HE2  TYR  42           2HE      TYR  42   7.338  -3.082  -8.209
  264    HH   TYR  42           HH       TYR  42   9.278  -2.314  -7.196
  265    H    ASN  43           H        ASN  43   6.138  -6.383  -7.460
  266    HA   ASN  43           HA       ASN  43   7.463  -8.337  -5.732
  267   1HB   ASN  43          2HB       ASN  43   8.289  -6.848  -8.248
  268   2HB   ASN  43          1HB       ASN  43   9.392  -7.945  -7.396
  269   1HD2  ASN  43          1HD2      ASN  43   7.593  -8.010 -10.031
  270   2HD2  ASN  43          2HD2      ASN  43   6.997  -9.630  -9.956
  271    H    ASN  44           H        ASN  44   9.661  -5.950  -6.908
  272    HA   ASN  44           HA       ASN  44   9.832  -3.914  -5.171
  273   1HB   ASN  44          2HB       ASN  44  11.296  -4.899  -3.258
  274   2HB   ASN  44          1HB       ASN  44   9.556  -5.127  -3.156
  275   1HD2  ASN  44          1HD2      ASN  44   9.664  -7.142  -2.024
  276   2HD2  ASN  44          2HD2      ASN  44  10.297  -8.564  -2.756
  277    H    TYR  45           H        TYR  45  11.202  -3.163  -6.822
  278    HA   TYR  45           HA       TYR  45  13.931  -4.427  -6.876
  279   1HB   TYR  45          2HB       TYR  45  13.928  -3.398  -9.317
  280   2HB   TYR  45          1HB       TYR  45  13.156  -4.957  -9.008
  281    HD1  TYR  45           1HD      TYR  45  10.709  -5.150  -8.777
  282    HD2  TYR  45           2HD      TYR  45  12.606  -1.453  -9.860
  283    HE1  TYR  45           1HE      TYR  45   8.531  -4.267  -9.568
  284    HE2  TYR  45           2HE      TYR  45  10.428  -0.564 -10.650
  285    HH   TYR  45           HH       TYR  45   8.004  -2.088 -11.525
  286    H    GLU  46           H        GLU  46  12.013  -1.480  -6.870
  287    HA   GLU  46           HA       GLU  46  13.746   0.504  -7.489
  288   1HB   GLU  46          2HB       GLU  46  11.385   0.312  -6.058
  289   2HB   GLU  46          1HB       GLU  46  12.474   0.951  -4.834
  290   1HG   GLU  46          2HG       GLU  46  12.445   2.135  -7.603
  291   2HG   GLU  46          1HG       GLU  46  11.207   2.557  -6.417
  292    H    GLY  47           H        GLY  47  13.538  -0.698  -4.113
  293   1HA   GLY  47          2HA       GLY  47  16.028  -1.439  -3.459
  294   2HA   GLY  47          1HA       GLY  47  16.290   0.301  -3.610
  295    H    PHE  48           H        PHE  48  13.814  -1.848  -2.142
  296    HA   PHE  48           HA       PHE  48  13.638   0.076   0.137
  297   1HB   PHE  48          2HB       PHE  48  11.907  -2.340  -0.524
  298   2HB   PHE  48          1HB       PHE  48  11.615  -1.138   0.729
  299    HD1  PHE  48           1HD      PHE  48  11.504  -1.840  -2.853
  300    HD2  PHE  48           2HD      PHE  48  10.988   1.179   0.160
  301    HE1  PHE  48           1HE      PHE  48  10.316  -0.406  -4.487
  302    HE2  PHE  48           2HE      PHE  48   9.798   2.569  -1.481
  303    HZ   PHE  48           HZ       PHE  48   9.482   1.813  -3.800
  304    H    ASP  49           H        ASP  49  13.799  -0.743   2.327
  305    HA   ASP  49           HA       ASP  49  15.248  -3.354   2.507
  306   1HB   ASP  49          2HB       ASP  49  16.347  -0.852   3.033
  307   2HB   ASP  49          1HB       ASP  49  15.855  -1.373   4.641
  308    H    PHE  50           H        PHE  50  12.511  -3.254   2.726
  309    HA   PHE  50           HA       PHE  50  11.526  -2.823   5.380
  310   1HB   PHE  50          2HB       PHE  50  10.569  -4.875   3.367
  311   2HB   PHE  50          1HB       PHE  50   9.608  -4.190   4.684
  312    HD1  PHE  50           1HD      PHE  50   9.082  -4.123   1.615
  313    HD2  PHE  50           2HD      PHE  50  10.754  -1.307   4.352
  314    HE1  PHE  50           1HE      PHE  50   8.348  -2.302   0.135
  315    HE2  PHE  50           2HE      PHE  50  10.045   0.532   2.881
  316    HZ   PHE  50           HZ       PHE  50   8.830   0.043   0.774
  317    H    SER  51           H        SER  51  10.374  -5.155   6.253
  318    HA   SER  51           HA       SER  51  12.508  -7.188   6.514
  319   1HB   SER  51          2HB       SER  51  12.542  -5.232   8.359
  320   2HB   SER  51          1HB       SER  51  11.275  -6.229   9.083
  321    HG   SER  51           HG       SER  51  13.971  -6.869   8.557
  322    H    VAL  52           H        VAL  52   9.727  -6.994   5.368
  323    HA   VAL  52           HA       VAL  52   8.262  -8.844   7.205
  324    HB   VAL  52           HB       VAL  52   7.350  -7.327   4.744
  325   1HG1  VAL  52          1HG1      VAL  52   6.245  -9.665   6.063
  326   2HG1  VAL  52          2HG1      VAL  52   5.654  -8.764   4.686
  327   3HG1  VAL  52          3HG1      VAL  52   5.194  -8.288   6.314
  328   1HG2  VAL  52          1HG2      VAL  52   5.847  -6.365   6.669
  329   2HG2  VAL  52          2HG2      VAL  52   7.456  -5.715   6.372
  330   3HG2  VAL  52          3HG2      VAL  52   7.186  -6.851   7.693
  331    H    SER  53           H        SER  53   8.183  -8.679   3.624
  332    HA   SER  53           HA       SER  53   9.522 -11.272   3.392
  333   1HB   SER  53          2HB       SER  53   7.558 -12.439   2.459
  334   2HB   SER  53          1HB       SER  53   7.222 -11.903   4.101
  335    HG   SER  53           HG       SER  53   6.110 -10.135   3.268
  336    H    SER  54           H        SER  54   9.185 -12.046   0.992
  337    HA   SER  54           HA       SER  54   9.999  -9.797  -0.706
  338   1HB   SER  54          2HB       SER  54   9.501 -12.518  -1.874
  339   2HB   SER  54          1HB       SER  54  10.814 -11.381  -2.132
  340    HG   SER  54           HG       SER  54  11.792 -12.035  -0.309
  341    HA   PRO  55           HA       PRO  55   6.039 -11.094  -3.100
  342   1HB   PRO  55          2HB       PRO  55   4.214 -12.641  -1.756
  343   2HB   PRO  55          1HB       PRO  55   5.504 -13.277  -2.772
  344   1HG   PRO  55          2HG       PRO  55   5.329 -13.217   0.214
  345   2HG   PRO  55          1HG       PRO  55   6.164 -14.376  -0.835
  346   1HD   PRO  55          2HD       PRO  55   7.328 -12.276   0.571
  347   2HD   PRO  55          1HD       PRO  55   8.114 -13.196  -0.698
  348    H    TYR  56           H        TYR  56   5.926  -8.838  -2.535
  349    HA   TYR  56           HA       TYR  56   4.193  -8.048  -0.303
  350   1HB   TYR  56          2HB       TYR  56   5.787  -6.601  -2.415
  351   2HB   TYR  56          1HB       TYR  56   4.655  -5.723  -1.441
  352    HD1  TYR  56           1HD      TYR  56   4.891  -7.008   1.197
  353    HD2  TYR  56           2HD      TYR  56   7.896  -5.953  -1.675
  354    HE1  TYR  56           1HE      TYR  56   6.542  -6.869   3.001
  355    HE2  TYR  56           2HE      TYR  56   9.574  -5.811   0.145
  356    HH   TYR  56           HH       TYR  56   9.587  -7.075   2.768
  357    H    TYR  57           H        TYR  57   2.685  -6.049  -1.078
  358    HA   TYR  57           HA       TYR  57   1.210  -6.651  -3.521
  359   1HB   TYR  57          2HB       TYR  57   0.034  -6.882  -0.763
  360   2HB   TYR  57          1HB       TYR  57  -0.985  -6.724  -2.205
  361    HD1  TYR  57           1HD      TYR  57   1.650  -8.824  -0.593
  362    HD2  TYR  57           2HD      TYR  57  -1.540  -8.654  -3.455
  363    HE1  TYR  57           1HE      TYR  57   1.820 -11.267  -0.932
  364    HE2  TYR  57           2HE      TYR  57  -1.335 -11.072  -3.824
  365    HH   TYR  57           HH       TYR  57  -0.179 -13.149  -1.875
  366    H    GLU  58           H        GLU  58   0.679  -4.708  -4.438
  367    HA   GLU  58           HA       GLU  58   1.049  -2.300  -2.766
  368   1HB   GLU  58          2HB       GLU  58   1.021  -1.053  -4.798
  369   2HB   GLU  58          1HB       GLU  58   1.937  -2.531  -5.132
  370   1HG   GLU  58          2HG       GLU  58  -0.226  -3.542  -6.011
  371   2HG   GLU  58          1HG       GLU  58  -0.928  -1.918  -5.901
  372    H    TRP  59           H        TRP  59  -0.533  -0.934  -2.134
  373    HA   TRP  59           HA       TRP  59  -3.219  -1.015  -3.242
  374   1HB   TRP  59          2HB       TRP  59  -3.590  -2.860  -1.785
  375   2HB   TRP  59          1HB       TRP  59  -2.632  -2.134  -0.489
  376    HD1  TRP  59           HD       TRP  59  -3.762  -0.386   1.051
  377    HE1  TRP  59           1HE      TRP  59  -6.198   0.342   1.415
  378    HE3  TRP  59           3HE      TRP  59  -5.930  -2.511  -3.060
  379    HZ2  TRP  59           2HZ      TRP  59  -8.738   0.034   0.103
  380    HZ3  TRP  59           3HZ      TRP  59  -8.350  -2.301  -3.433
  381    HH2  TRP  59           HH       TRP  59  -9.770  -1.013  -1.881
  382    HA   PRO  60           HA       PRO  60  -2.604   3.177  -1.887
  383   1HB   PRO  60          2HB       PRO  60  -5.191   4.060  -2.180
  384   2HB   PRO  60          1HB       PRO  60  -4.062   3.823  -3.511
  385   1HG   PRO  60          2HG       PRO  60  -6.299   2.048  -2.633
  386   2HG   PRO  60          1HG       PRO  60  -5.720   2.346  -4.272
  387   1HD   PRO  60          2HD       PRO  60  -5.159   0.112  -2.799
  388   2HD   PRO  60          1HD       PRO  60  -4.168   0.678  -4.086
  389    H    ILE  61           H        ILE  61  -3.062   4.573  -0.119
  390    HA   ILE  61           HA       ILE  61  -4.657   3.321   2.094
  391    HB   ILE  61           HB       ILE  61  -2.463   2.910   2.788
  392   1HG1  ILE  61          2HG1      ILE  61  -2.009   4.425   4.619
  393   2HG1  ILE  61          1HG1      ILE  61  -2.947   5.707   3.871
  394   1HG2  ILE  61          1HG2      ILE  61  -1.328   4.103   0.952
  395   2HG2  ILE  61          2HG2      ILE  61  -0.609   4.523   2.495
  396   3HG2  ILE  61          3HG2      ILE  61  -1.722   5.634   1.713
  397   1HD1  ILE  61          1HD1      ILE  61  -4.463   4.859   5.376
  398   2HD1  ILE  61          2HD1      ILE  61  -3.832   3.239   5.223
  399   3HD1  ILE  61          3HD1      ILE  61  -4.886   3.884   4.002
  400    H    LEU  62           H        LEU  62  -6.151   4.728   2.937
  401    HA   LEU  62           HA       LEU  62  -5.699   7.666   2.517
  402   1HB   LEU  62          2HB       LEU  62  -8.499   6.700   2.828
  403   2HB   LEU  62          1HB       LEU  62  -7.825   7.949   1.771
  404    HG   LEU  62           HG       LEU  62  -7.722   4.948   1.321
  405   1HD1  LEU  62          1HD1      LEU  62  -9.853   6.074   0.772
  406   2HD1  LEU  62          2HD1      LEU  62  -9.020   5.497  -0.674
  407   3HD1  LEU  62          3HD1      LEU  62  -8.982   7.210  -0.258
  408   1HD2  LEU  62          1HD2      LEU  62  -6.805   6.343  -0.939
  409   2HD2  LEU  62          2HD2      LEU  62  -5.868   5.319   0.100
  410   3HD2  LEU  62          3HD2      LEU  62  -5.927   7.064   0.389
  411    H    SER  63           H        SER  63  -6.973   8.974   4.182
  412    HA   SER  63           HA       SER  63  -7.117   7.489   6.790
  413   1HB   SER  63          2HB       SER  63  -6.093   9.364   7.904
  414   2HB   SER  63          1HB       SER  63  -5.049   8.909   6.572
  415    HG   SER  63           HG       SER  63  -5.584  11.238   6.808
  416    H    SER  64           H        SER  64  -9.432   7.530   5.773
  417    HA   SER  64           HA       SER  64 -10.919   9.566   7.267
  418   1HB   SER  64          2HB       SER  64 -10.265  10.103   4.548
  419   2HB   SER  64          1HB       SER  64 -11.980   9.698   4.560
  420    HG   SER  64           HG       SER  64 -11.443  11.950   4.994
  421    H    GLY  65           H        GLY  65 -10.654   6.553   6.940
  422   1HA   GLY  65          2HA       GLY  65 -12.055   4.694   6.840
  423   2HA   GLY  65          1HA       GLY  65 -13.286   5.796   7.459
  424    H    ASP  66           H        ASP  66 -11.590   5.802   4.313
  425    HA   ASP  66           HA       ASP  66 -14.278   5.499   3.002
  426   1HB   ASP  66          2HB       ASP  66 -13.570   7.757   2.626
  427   2HB   ASP  66          1HB       ASP  66 -11.915   7.250   2.266
  428    H    VAL  67           H        VAL  67 -10.869   4.574   3.038
  429    HA   VAL  67           HA       VAL  67  -9.780   2.852   1.967
  430    HB   VAL  67           HB       VAL  67 -12.471   1.797   1.035
  431   1HG1  VAL  67          1HG1      VAL  67 -10.786   0.379   0.306
  432   2HG1  VAL  67          2HG1      VAL  67 -11.195  -0.344   1.847
  433   3HG1  VAL  67          3HG1      VAL  67  -9.763   0.673   1.715
  434   1HG2  VAL  67          1HG2      VAL  67 -12.985   2.301   3.283
  435   2HG2  VAL  67          2HG2      VAL  67 -11.360   1.922   3.843
  436   3HG2  VAL  67          3HG2      VAL  67 -12.452   0.633   3.342
  437    H    TYR  68           H        TYR  68  -9.661   1.802  -0.396
  438    HA   TYR  68           HA       TYR  68 -10.035   4.043  -2.286
  439   1HB   TYR  68          2HB       TYR  68  -7.816   2.980  -2.071
  440   2HB   TYR  68          1HB       TYR  68  -8.488   1.445  -2.634
  441    HD1  TYR  68           1HD      TYR  68  -7.147   4.632  -3.613
  442    HD2  TYR  68           2HD      TYR  68  -9.610   1.395  -4.939
  443    HE1  TYR  68           1HE      TYR  68  -6.851   5.359  -5.964
  444    HE2  TYR  68           2HE      TYR  68  -9.331   2.111  -7.279
  445    HH   TYR  68           HH       TYR  68  -8.534   4.876  -8.282
  446    H    SER  69           H        SER  69 -12.059   3.977  -3.156
  447    HA   SER  69           HA       SER  69 -12.801   1.592  -4.728
  448   1HB   SER  69          2HB       SER  69 -15.062   2.614  -3.113
  449   2HB   SER  69          1HB       SER  69 -14.613   0.950  -3.515
  450    HG   SER  69           HG       SER  69 -13.233   0.899  -1.825
  451    H    GLY  70           H        GLY  70 -12.116   4.581  -5.040
  452   1HA   GLY  70          2HA       GLY  70 -14.587   5.350  -6.567
  453   2HA   GLY  70          1HA       GLY  70 -13.516   6.499  -5.772
  454    H    GLY  71           H        GLY  71 -11.505   7.001  -6.740
  455   1HA   GLY  71          2HA       GLY  71 -10.265   5.672  -8.883
  456   2HA   GLY  71          1HA       GLY  71 -11.437   6.753  -9.624
  457    H    SER  72           H        SER  72  -9.116   7.010  -6.891
  458    HA   SER  72           HA       SER  72  -7.931   9.402  -8.245
  459   1HB   SER  72          2HB       SER  72  -7.923  10.351  -5.729
  460   2HB   SER  72          1HB       SER  72  -9.289  10.595  -6.813
  461    HG   SER  72           HG       SER  72  -9.818   9.728  -4.685
  462    HA   PRO  73           HA       PRO  73  -4.883   6.458  -6.256
  463   1HB   PRO  73          2HB       PRO  73  -3.750   5.604  -8.604
  464   2HB   PRO  73          1HB       PRO  73  -5.133   4.856  -7.809
  465   1HG   PRO  73          2HG       PRO  73  -5.073   6.540 -10.263
  466   2HG   PRO  73          1HG       PRO  73  -6.199   5.241  -9.834
  467   1HD   PRO  73          2HD       PRO  73  -6.701   8.022  -9.592
  468   2HD   PRO  73          1HD       PRO  73  -7.630   6.694  -8.895
  469    H    GLY  74           H        GLY  74  -2.496   6.689  -6.338
  470   1HA   GLY  74          2HA       GLY  74  -0.675   7.960  -7.635
  471   2HA   GLY  74          1HA       GLY  74  -1.686   9.383  -7.416
  472    H    ALA  75           H        ALA  75   1.064   8.378  -6.324
  473    HA   ALA  75           HA       ALA  75   2.291   8.917  -4.435
  474   1HB   ALA  75          1HB       ALA  75   1.554  10.616  -3.072
  475   2HB   ALA  75          2HB       ALA  75  -0.125  10.082  -3.089
  476   3HB   ALA  75          3HB       ALA  75   0.569  10.872  -4.502
  477    H    ASP  76           H        ASP  76   1.171   9.016  -1.702
  478    HA   ASP  76           HA       ASP  76   1.641   7.019  -0.273
  479   1HB   ASP  76          2HB       ASP  76  -1.187   8.078  -0.505
  480   2HB   ASP  76          1HB       ASP  76  -0.720   6.952   0.765
  481    H    ARG  77           H        ARG  77   1.726   4.862  -0.272
  482    HA   ARG  77           HA       ARG  77  -0.479   3.211  -1.238
  483   1HB   ARG  77          2HB       ARG  77   0.663   3.713  -3.390
  484   2HB   ARG  77          1HB       ARG  77   2.173   3.187  -2.717
  485   1HG   ARG  77          2HG       ARG  77   1.668   1.186  -3.613
  486   2HG   ARG  77          1HG       ARG  77   0.699   0.961  -2.169
  487   1HD   ARG  77          2HD       ARG  77  -0.596   0.430  -4.149
  488   2HD   ARG  77          1HD       ARG  77  -1.273   1.832  -3.339
  489    HE   ARG  77           HE       ARG  77   0.742   2.225  -5.064
  490   1HH1  ARG  77          1HH2      ARG  77  -1.294   3.752  -3.429
  491   2HH1  ARG  77          2HH2      ARG  77  -1.995   4.829  -4.558
  492   1HH2  ARG  77          1HH1      ARG  77  -0.876   3.166  -7.374
  493   2HH2  ARG  77          2HH1      ARG  77  -1.689   4.564  -6.762
  494    H    VAL  78           H        VAL  78  -0.163   2.604   1.067
  495    HA   VAL  78           HA       VAL  78   2.280   1.547   2.049
  496    HB   VAL  78           HB       VAL  78   0.313   2.222   3.477
  497   1HG1  VAL  78          1HG1      VAL  78  -1.474   1.181   2.244
  498   2HG1  VAL  78          2HG1      VAL  78  -1.421   0.438   3.832
  499   3HG1  VAL  78          3HG1      VAL  78  -0.795  -0.404   2.438
  500   1HG2  VAL  78          1HG2      VAL  78   1.826  -0.345   3.787
  501   2HG2  VAL  78          2HG2      VAL  78   0.535  -0.044   4.891
  502   3HG2  VAL  78          3HG2      VAL  78   1.851   1.093   4.759
  503    H    VAL  79           H        VAL  79   3.040  -0.610   2.152
  504    HA   VAL  79           HA       VAL  79   1.665  -2.502   0.264
  505    HB   VAL  79           HB       VAL  79   4.586  -2.177   0.999
  506   1HG1  VAL  79          1HG1      VAL  79   4.973  -4.021  -0.568
  507   2HG1  VAL  79          2HG1      VAL  79   3.248  -4.257  -0.742
  508   3HG1  VAL  79          3HG1      VAL  79   4.040  -4.603   0.777
  509   1HG2  VAL  79          1HG2      VAL  79   4.841  -1.729  -1.381
  510   2HG2  VAL  79          2HG2      VAL  79   3.681  -0.599  -0.647
  511   3HG2  VAL  79          3HG2      VAL  79   3.106  -1.938  -1.634
  512    H    PHE  80           H        PHE  80   2.005  -4.798   0.796
  513    HA   PHE  80           HA       PHE  80   2.535  -5.407   3.617
  514   1HB   PHE  80          2HB       PHE  80   0.231  -6.401   3.864
  515   2HB   PHE  80          1HB       PHE  80   0.255  -4.666   3.707
  516    HD1  PHE  80           1HD      PHE  80  -1.241  -7.593   2.519
  517    HD2  PHE  80           2HD      PHE  80   0.077  -3.725   1.202
  518    HE1  PHE  80           1HE      PHE  80  -2.744  -7.730   0.556
  519    HE2  PHE  80           2HE      PHE  80  -1.404  -3.868  -0.750
  520    HZ   PHE  80           HZ       PHE  80  -2.835  -5.865  -1.078
  521    H    ASN  81           H        ASN  81   1.643  -7.928   3.800
  522    HA   ASN  81           HA       ASN  81   2.851  -9.280   1.401
  523   1HB   ASN  81          2HB       ASN  81   3.268 -11.141   3.284
  524   2HB   ASN  81          1HB       ASN  81   4.356  -9.786   3.036
  525   1HD2  ASN  81          1HD2      ASN  81   3.781  -7.740   4.377
  526   2HD2  ASN  81          2HD2      ASN  81   3.198  -8.044   5.963
  527    H    GLU  82           H        GLU  82   1.163 -10.727   4.158
  528    HA   GLU  82           HA       GLU  82  -1.227 -11.240   2.528
  529   1HB   GLU  82          2HB       GLU  82   0.684 -13.421   3.439
  530   2HB   GLU  82          1HB       GLU  82  -0.987 -13.742   2.940
  531   1HG   GLU  82          2HG       GLU  82  -0.408 -12.487   0.769
  532   2HG   GLU  82          1HG       GLU  82   1.284 -12.653   1.277
  533    H    ASN  83           H        ASN  83  -0.089 -10.254   5.361
  534    HA   ASN  83           HA       ASN  83  -2.428 -11.385   6.814
  535   1HB   ASN  83          2HB       ASN  83  -0.223 -12.483   7.503
  536   2HB   ASN  83          1HB       ASN  83   0.275 -10.923   8.112
  537   1HD2  ASN  83          1HD2      ASN  83   0.254 -12.352  10.200
  538   2HD2  ASN  83          2HD2      ASN  83  -1.245 -12.370  11.058
  539    H    ASN  84           H        ASN  84  -1.183  -8.708   5.492
  540    HA   ASN  84           HA       ASN  84  -1.680  -6.485   5.802
  541   1HB   ASN  84          2HB       ASN  84  -3.068  -7.109   8.423
  542   2HB   ASN  84          1HB       ASN  84  -3.436  -5.875   7.220
  543   1HD2  ASN  84          1HD2      ASN  84  -4.485  -8.832   8.336
  544   2HD2  ASN  84          2HD2      ASN  84  -5.340  -9.330   6.923
  545    H    GLN  85           H        GLN  85   0.442  -8.233   7.447
  546    HA   GLN  85           HA       GLN  85   1.064  -6.918   9.835
  547   1HB   GLN  85          2HB       GLN  85   3.161  -7.821   7.824
  548   2HB   GLN  85          1HB       GLN  85   3.328  -7.709   9.568
  549   1HG   GLN  85          2HG       GLN  85   1.062  -9.371   8.866
  550   2HG   GLN  85          1HG       GLN  85   2.522  -9.922   8.041
  551   1HE2  GLN  85          1HE2      GLN  85   4.070 -10.983   9.311
  552   2HE2  GLN  85          2HE2      GLN  85   3.914 -11.166  11.021
  553    H    LEU  86           H        LEU  86   3.334  -6.205   7.205
  554    HA   LEU  86           HA       LEU  86   2.555  -3.690   6.490
  555   1HB   LEU  86          2HB       LEU  86   3.082  -3.550   9.235
  556   2HB   LEU  86          1HB       LEU  86   4.601  -3.051   8.549
  557    HG   LEU  86           HG       LEU  86   3.162  -1.109   8.883
  558   1HD1  LEU  86          1HD1      LEU  86   4.730  -1.349   6.857
  559   2HD1  LEU  86          2HD1      LEU  86   3.456  -0.140   6.744
  560   3HD1  LEU  86          3HD1      LEU  86   3.271  -1.679   5.915
  561   1HD2  LEU  86          1HD2      LEU  86   1.252  -2.491   6.962
  562   2HD2  LEU  86          2HD2      LEU  86   1.081  -0.882   7.627
  563   3HD2  LEU  86          3HD2      LEU  86   0.994  -2.272   8.689
  564    H    ALA  87           H        ALA  87   3.672  -3.794   4.631
  565    HA   ALA  87           HA       ALA  87   6.458  -4.766   4.581
  566   1HB   ALA  87          1HB       ALA  87   4.793  -3.527   2.427
  567   2HB   ALA  87          2HB       ALA  87   4.849  -5.234   2.722
  568   3HB   ALA  87          3HB       ALA  87   6.293  -4.358   2.157
  569    H    GLY  88           H        GLY  88   4.670  -1.737   4.490
  570   1HA   GLY  88          2HA       GLY  88   6.352   0.036   5.558
  571   2HA   GLY  88          1HA       GLY  88   7.130  -0.157   3.986
  572    H    VAL  89           H        VAL  89   6.562   2.208   3.824
  573    HA   VAL  89           HA       VAL  89   3.826   2.472   2.638
  574    HB   VAL  89           HB       VAL  89   5.185   4.485   4.450
  575   1HG1  VAL  89          1HG1      VAL  89   3.918   5.614   2.706
  576   2HG1  VAL  89          2HG1      VAL  89   2.995   5.691   4.198
  577   3HG1  VAL  89          3HG1      VAL  89   2.546   4.531   2.949
  578   1HG2  VAL  89          1HG2      VAL  89   3.192   4.009   5.905
  579   2HG2  VAL  89          2HG2      VAL  89   4.214   2.597   5.700
  580   3HG2  VAL  89          3HG2      VAL  89   2.740   2.753   4.806
  581    H    ILE  90           H        ILE  90   4.459   2.573   0.515
  582    HA   ILE  90           HA       ILE  90   6.676   4.453  -0.192
  583    HB   ILE  90           HB       ILE  90   6.742   3.300  -2.321
  584   1HG1  ILE  90          2HG1      ILE  90   4.148   2.244  -1.349
  585   2HG1  ILE  90          1HG1      ILE  90   4.651   2.501  -2.968
  586   1HG2  ILE  90          1HG2      ILE  90   7.565   1.156  -1.523
  587   2HG2  ILE  90          2HG2      ILE  90   6.637   1.326  -0.029
  588   3HG2  ILE  90          3HG2      ILE  90   7.975   2.409  -0.364
  589   1HD1  ILE  90          1HD1      ILE  90   5.410   0.185  -1.216
  590   2HD1  ILE  90          2HD1      ILE  90   6.020   0.430  -2.845
  591   3HD1  ILE  90          3HD1      ILE  90   4.306   0.157  -2.589
  592    H    THR  91           H        THR  91   6.298   6.003  -1.915
  593    HA   THR  91           HA       THR  91   3.388   6.572  -2.366
  594    HB   THR  91           HB       THR  91   4.451   8.213  -0.832
  595    HG1  THR  91           1HG      THR  91   3.991   9.371  -3.402
  596   1HG2  THR  91          1HG2      THR  91   6.224   9.654  -1.666
  597   2HG2  THR  91          2HG2      THR  91   6.285   8.789  -3.180
  598   3HG2  THR  91          3HG2      THR  91   6.763   7.988  -1.694
  599    H    HIS  92           H        HIS  92   2.798   6.920  -4.463
  600    HA   HIS  92           HA       HIS  92   4.733   6.454  -6.561
  601   1HB   HIS  92          2HB       HIS  92   1.797   6.590  -6.319
  602   2HB   HIS  92          1HB       HIS  92   2.379   7.191  -7.855
  603    HD1  HIS  92           1HD      HIS  92   4.712   5.265  -8.299
  604    HD2  HIS  92           2HD      HIS  92   1.015   4.070  -6.961
  605    HE1  HIS  92           1HE      HIS  92   4.542   2.831  -8.883
  606    HE2  HIS  92           2HE      HIS  92   2.390   2.040  -7.815
  607    H    THR  93           H        THR  93   6.040   8.403  -5.951
  608    HA   THR  93           HA       THR  93   5.519  10.571  -7.768
  609    HB   THR  93           HB       THR  93   3.831  11.027  -5.854
  610    HG1  THR  93           1HG      THR  93   4.159  13.160  -6.134
  611   1HG2  THR  93          1HG2      THR  93   5.744  10.390  -4.156
  612   2HG2  THR  93          2HG2      THR  93   4.573  11.632  -3.763
  613   3HG2  THR  93          3HG2      THR  93   6.175  12.083  -4.338
  614    H    GLY  94           H        GLY  94   7.266  12.205  -7.658
  615   1HA   GLY  94          2HA       GLY  94   9.402  12.978  -6.974
  616   2HA   GLY  94          1HA       GLY  94   9.488  11.694  -5.769
  617    H    ALA  95           H        ALA  95   8.572   9.896  -8.247
  618    HA   ALA  95           HA       ALA  95  11.270   9.715  -9.509
  619   1HB   ALA  95          1HB       ALA  95   9.672   7.616  -8.090
  620   2HB   ALA  95          2HB       ALA  95  11.392   7.938  -8.043
  621   3HB   ALA  95          3HB       ALA  95  10.712   7.146  -9.452
  622    H    SER  96           H        SER  96  10.912  10.117 -11.667
  623    HA   SER  96           HA       SER  96   9.767  10.206 -13.708
  624   1HB   SER  96          2HB       SER  96   9.331   8.076 -14.590
  625   2HB   SER  96          1HB       SER  96  10.408   7.669 -13.250
  626    HG   SER  96           HG       SER  96   8.546   7.238 -11.989
  627    H    GLY  97           H        GLY  97   7.313   8.941 -14.463
  628   1HA   GLY  97          2HA       GLY  97   5.362  10.757 -13.846
  629   2HA   GLY  97          1HA       GLY  97   4.986   9.056 -14.134
  630    H    ASN  98           H        ASN  98   6.151   7.859 -11.893
  631    HA   ASN  98           HA       ASN  98   5.225   9.272  -9.487
  632   1HB   ASN  98          2HB       ASN  98   3.907   6.719  -9.370
  633   2HB   ASN  98          1HB       ASN  98   3.211   8.311  -9.315
  634   1HD2  ASN  98          1HD2      ASN  98   3.503   5.488 -11.222
  635   2HD2  ASN  98          2HD2      ASN  98   2.739   6.140 -12.628
  636    H    ASN  99           H        ASN  99   5.592   5.771 -10.228
  637    HA   ASN  99           HA       ASN  99   7.076   4.228  -9.351
  638   1HB   ASN  99          2HB       ASN  99   8.659   6.714  -9.588
  639   2HB   ASN  99          1HB       ASN  99   9.329   5.538  -8.472
  640   1HD2  ASN  99          1HD2      ASN  99   7.685   5.383 -11.675
  641   2HD2  ASN  99          2HD2      ASN  99   8.906   4.379 -12.367
  642    H    PHE 100           H        PHE 100   7.091   3.296  -7.339
  643    HA   PHE 100           HA       PHE 100   6.260   4.996  -5.071
  644   1HB   PHE 100          2HB       PHE 100   6.332   2.519  -4.008
  645   2HB   PHE 100          1HB       PHE 100   4.917   3.182  -4.823
  646    HD1  PHE 100           1HD      PHE 100   8.208   1.598  -5.753
  647    HD2  PHE 100           2HD      PHE 100   3.955   1.688  -6.292
  648    HE1  PHE 100           1HE      PHE 100   8.386  -0.230  -7.394
  649    HE2  PHE 100           2HE      PHE 100   4.129  -0.164  -7.933
  650    HZ   PHE 100           HZ       PHE 100   6.342  -1.118  -8.485
  651    H    VAL 101           H        VAL 101   7.495   5.326  -3.241
  652    HA   VAL 101           HA       VAL 101  10.033   3.881  -2.897
  653    HB   VAL 101           HB       VAL 101  11.244   6.139  -2.662
  654   1HG1  VAL 101          1HG1      VAL 101  11.268   4.408  -4.626
  655   2HG1  VAL 101          2HG1      VAL 101  11.971   5.996  -4.864
  656   3HG1  VAL 101          3HG1      VAL 101  10.365   5.633  -5.498
  657   1HG2  VAL 101          1HG2      VAL 101  10.292   7.989  -3.891
  658   2HG2  VAL 101          2HG2      VAL 101   9.113   7.476  -2.691
  659   3HG2  VAL 101          3HG2      VAL 101   8.901   7.027  -4.384
  660    H    GLU 102           H        GLU 102  10.803   4.037  -0.728
  661    HA   GLU 102           HA       GLU 102   8.981   4.191   1.333
  662   1HB   GLU 102          2HB       GLU 102  11.027   4.975   2.776
  663   2HB   GLU 102          1HB       GLU 102  11.089   3.404   1.974
  664   1HG   GLU 102          2HG       GLU 102  12.644   4.035   0.436
  665   2HG   GLU 102          1HG       GLU 102  12.088   5.717   0.370
  666    H    CYS 103           H        CYS 103   8.076   5.812   2.613
  667    HA   CYS 103           HA       CYS 103   7.697   8.349   1.491
  668   1HB   CYS 103          2HB       CYS 103   7.061   7.033   4.050
  669   2HB   CYS 103          1HB       CYS 103   7.366   8.759   4.276
  670    H    THR 104           H        THR 104   8.651  10.403   1.846
  671    HA   THR 104           HA       THR 104  11.339  10.283   3.180
  672    HB   THR 104           HB       THR 104  11.795  12.322   1.677
  673    HG1  THR 104           1HG      THR 104   9.792  12.910   0.991
  674   1HG2  THR 104          1HG2      THR 104  12.246  10.931  -0.284
  675   2HG2  THR 104          2HG2      THR 104  11.193   9.667   0.348
  676   3HG2  THR 104          3HG2      THR 104  12.686  10.079   1.196
  Start of MODEL   23
    1   1H    ALA   1          1HT       ALA   1  -1.235  12.780  15.415
    2   2H    ALA   1          2HT       ALA   1   0.158  13.635  14.882
    3   3H    ALA   1          3HT       ALA   1  -0.166  13.490  16.557
    4    HA   ALA   1           HA       ALA   1   1.591  12.013  15.909
    5   1HB   ALA   1          1HB       ALA   1  -1.019  10.604  16.542
    6   2HB   ALA   1          2HB       ALA   1   0.068  11.346  17.714
    7   3HB   ALA   1          3HB       ALA   1   0.597   9.937  16.797
    8    H    CYS   2           H        CYS   2   2.377  10.464  14.452
    9    HA   CYS   2           HA       CYS   2   0.822   8.946  12.688
   10   1HB   CYS   2          2HB       CYS   2   1.168  10.154  10.578
   11   2HB   CYS   2          1HB       CYS   2   0.164  11.098  11.654
   12    H    ASP   3           H        ASP   3   2.328   7.295  12.755
   13    HA   ASP   3           HA       ASP   3   5.154   7.791  12.770
   14   1HB   ASP   3          2HB       ASP   3   3.768   5.655  13.519
   15   2HB   ASP   3          1HB       ASP   3   4.008   5.145  11.845
   16    H    TYR   4           H        TYR   4   2.974   6.494  10.235
   17    HA   TYR   4           HA       TYR   4   5.119   6.908   8.211
   18   1HB   TYR   4          2HB       TYR   4   2.369   5.610   8.134
   19   2HB   TYR   4          1HB       TYR   4   3.349   5.885   6.685
   20    HD1  TYR   4           1HD      TYR   4   2.814   3.746   9.507
   21    HD2  TYR   4           2HD      TYR   4   5.723   4.959   6.612
   22    HE1  TYR   4           1HE      TYR   4   4.133   1.691   9.975
   23    HE2  TYR   4           2HE      TYR   4   7.039   2.911   7.070
   24    HH   TYR   4           HH       TYR   4   6.945   1.163   9.592
   25    H    THR   5           H        THR   5   5.246   9.055   7.618
   26    HA   THR   5           HA       THR   5   2.702  10.304   6.691
   27    HB   THR   5           HB       THR   5   3.149  11.333   8.825
   28    HG1  THR   5           1HG      THR   5   4.272  13.184   6.994
   29   1HG2  THR   5          1HG2      THR   5   5.952  11.848   7.825
   30   2HG2  THR   5          2HG2      THR   5   5.514  10.643   9.033
   31   3HG2  THR   5          3HG2      THR   5   5.291  12.349   9.367
   32    H    CYS   6           H        CYS   6   2.875  11.087   4.658
   33    HA   CYS   6           HA       CYS   6   5.570  11.215   3.483
   34   1HB   CYS   6          2HB       CYS   6   3.434  10.023   2.470
   35   2HB   CYS   6          1HB       CYS   6   3.057  11.618   1.850
   36    H    GLY   7           H        GLY   7   5.105  13.088   1.433
   37   1HA   GLY   7          2HA       GLY   7   5.756  15.501   2.639
   38   2HA   GLY   7          1HA       GLY   7   5.108  15.353   1.008
   39    H    SER   8           H        SER   8   4.346  16.142   4.318
   40    HA   SER   8           HA       SER   8   2.527  17.318   5.173
   41   1HB   SER   8          2HB       SER   8   1.066  17.554   2.583
   42   2HB   SER   8          1HB       SER   8   1.530  18.796   3.751
   43    HG   SER   8           HG       SER   8   2.652  18.861   1.687
   44    H    ASN   9           H        ASN   9   2.386  14.679   5.544
   45    HA   ASN   9           HA       ASN   9  -0.514  14.162   5.406
   46   1HB   ASN   9          2HB       ASN   9   1.257  11.974   4.309
   47   2HB   ASN   9          1HB       ASN   9  -0.463  12.252   4.067
   48   1HD2  ASN   9          1HD2      ASN   9  -1.048  14.137   2.673
   49   2HD2  ASN   9          2HD2      ASN   9   0.072  14.611   1.447
   50    H    CYS  10           H        CYS  10  -0.329  14.238   7.702
   51    HA   CYS  10           HA       CYS  10   1.549  12.561   9.091
   52   1HB   CYS  10          2HB       CYS  10   0.003  14.719   9.804
   53   2HB   CYS  10          1HB       CYS  10  -0.896  13.424  10.582
   54    H    TYR  11           H        TYR  11   1.018  10.480   8.001
   55    HA   TYR  11           HA       TYR  11  -1.633   9.334   8.720
   56   1HB   TYR  11          2HB       TYR  11   0.456   8.763   6.678
   57   2HB   TYR  11          1HB       TYR  11  -0.337   7.332   7.352
   58    HD1  TYR  11           1HD      TYR  11  -1.069  10.729   5.964
   59    HD2  TYR  11           2HD      TYR  11  -2.415   6.690   6.517
   60    HE1  TYR  11           1HE      TYR  11  -3.042  11.194   4.533
   61    HE2  TYR  11           2HE      TYR  11  -4.392   7.171   5.094
   62    HH   TYR  11           HH       TYR  11  -4.707   9.331   2.998
   63    H    SER  12           H        SER  12  -1.839   8.037  10.468
   64    HA   SER  12           HA       SER  12   0.599   7.274  11.936
   65   1HB   SER  12          2HB       SER  12  -1.400   8.262  13.091
   66   2HB   SER  12          1HB       SER  12  -2.285   6.780  12.713
   67    HG   SER  12           HG       SER  12  -1.303   6.695  14.790
   68    H    SER  13           H        SER  13   1.466   5.280  11.928
   69    HA   SER  13           HA       SER  13   0.818   3.293  10.103
   70   1HB   SER  13          2HB       SER  13   2.794   3.434  11.792
   71   2HB   SER  13          1HB       SER  13   1.742   2.522  12.876
   72    HG   SER  13           HG       SER  13   2.894   1.038  11.700
   73    H    SER  14           H        SER  14  -0.794   4.070  13.117
   74    HA   SER  14           HA       SER  14  -2.241   1.612  13.394
   75   1HB   SER  14          2HB       SER  14  -1.977   3.276  15.225
   76   2HB   SER  14          1HB       SER  14  -3.003   4.407  14.333
   77    HG   SER  14           HG       SER  14  -4.168   3.151  15.898
   78    H    ASP  15           H        ASP  15  -3.082   4.763  11.923
   79    HA   ASP  15           HA       ASP  15  -5.681   3.871  11.020
   80   1HB   ASP  15          2HB       ASP  15  -4.112   6.305  10.913
   81   2HB   ASP  15          1HB       ASP  15  -4.670   5.940   9.279
   82    H    VAL  16           H        VAL  16  -2.422   3.590   9.834
   83    HA   VAL  16           HA       VAL  16  -3.091   2.978   7.104
   84    HB   VAL  16           HB       VAL  16  -0.655   2.004   8.633
   85   1HG1  VAL  16          1HG1      VAL  16  -1.166   2.664   5.706
   86   2HG1  VAL  16          2HG1      VAL  16  -0.974   1.045   6.383
   87   3HG1  VAL  16          3HG1      VAL  16   0.384   2.164   6.387
   88   1HG2  VAL  16          1HG2      VAL  16  -0.749   4.345   9.024
   89   2HG2  VAL  16          2HG2      VAL  16  -1.259   4.708   7.399
   90   3HG2  VAL  16          3HG2      VAL  16   0.380   4.144   7.721
   91    H    SER  17           H        SER  17  -2.747   1.054  10.067
   92    HA   SER  17           HA       SER  17  -2.772  -1.531   8.933
   93   1HB   SER  17          2HB       SER  17  -2.548  -0.756  11.421
   94   2HB   SER  17          1HB       SER  17  -4.308  -0.917  11.468
   95    HG   SER  17           HG       SER  17  -4.124  -3.065  11.063
   96    H    THR  18           H        THR  18  -5.538   0.531   9.898
   97    HA   THR  18           HA       THR  18  -7.591  -1.297   9.195
   98    HB   THR  18           HB       THR  18  -8.738   1.131   8.569
   99    HG1  THR  18           1HG      THR  18  -7.642   2.740   9.562
  100   1HG2  THR  18          1HG2      THR  18  -9.437  -0.399  10.365
  101   2HG2  THR  18          2HG2      THR  18  -9.360   1.271  10.924
  102   3HG2  THR  18          3HG2      THR  18  -8.077   0.142  11.354
  103    H    ALA  19           H        ALA  19  -6.176   1.324   7.228
  104    HA   ALA  19           HA       ALA  19  -7.543   0.531   4.813
  105   1HB   ALA  19          1HB       ALA  19  -5.889   2.025   3.695
  106   2HB   ALA  19          2HB       ALA  19  -5.011   2.125   5.225
  107   3HB   ALA  19          3HB       ALA  19  -6.639   2.788   5.101
  108    H    GLN  20           H        GLN  20  -4.906  -0.835   6.521
  109    HA   GLN  20           HA       GLN  20  -3.639  -1.957   4.198
  110   1HB   GLN  20          2HB       GLN  20  -2.754  -1.490   6.777
  111   2HB   GLN  20          1HB       GLN  20  -3.030  -3.219   6.828
  112   1HG   GLN  20          2HG       GLN  20  -1.106  -1.649   5.146
  113   2HG   GLN  20          1HG       GLN  20  -0.842  -3.114   6.102
  114   1HE2  GLN  20          1HE2      GLN  20  -1.979  -1.930   3.004
  115   2HE2  GLN  20          2HE2      GLN  20  -2.243  -3.454   2.313
  116    H    ALA  21           H        ALA  21  -6.084  -2.841   6.506
  117    HA   ALA  21           HA       ALA  21  -6.079  -5.683   5.767
  118   1HB   ALA  21          1HB       ALA  21  -8.080  -5.795   7.205
  119   2HB   ALA  21          2HB       ALA  21  -8.071  -4.035   7.355
  120   3HB   ALA  21          3HB       ALA  21  -6.746  -4.984   8.024
  121    H    ALA  22           H        ALA  22  -7.343  -2.751   4.500
  122    HA   ALA  22           HA       ALA  22  -9.741  -3.848   3.287
  123   1HB   ALA  22          1HB       ALA  22  -9.830  -1.723   2.104
  124   2HB   ALA  22          2HB       ALA  22  -8.168  -1.349   2.569
  125   3HB   ALA  22          3HB       ALA  22  -9.433  -1.435   3.795
  126    H    GLY  23           H        GLY  23  -6.571  -2.795   1.926
  127   1HA   GLY  23          2HA       GLY  23  -7.058  -3.942  -0.677
  128   2HA   GLY  23          1HA       GLY  23  -5.490  -3.503  -0.022
  129    H    TYR  24           H        TYR  24  -5.822  -5.197   2.356
  130    HA   TYR  24           HA       TYR  24  -4.671  -7.596   1.245
  131   1HB   TYR  24          2HB       TYR  24  -3.814  -7.073   3.370
  132   2HB   TYR  24          1HB       TYR  24  -5.403  -6.622   3.994
  133    HD1  TYR  24           1HD      TYR  24  -3.704  -9.632   2.526
  134    HD2  TYR  24           2HD      TYR  24  -6.395  -8.076   5.489
  135    HE1  TYR  24           1HE      TYR  24  -3.974 -11.909   3.476
  136    HE2  TYR  24           2HE      TYR  24  -6.668 -10.349   6.440
  137    HH   TYR  24           HH       TYR  24  -6.252 -12.970   5.146
  138    H    GLN  25           H        GLN  25  -7.845  -6.798   2.623
  139    HA   GLN  25           HA       GLN  25  -8.818  -9.501   2.543
  140   1HB   GLN  25          2HB       GLN  25  -9.870  -6.920   3.257
  141   2HB   GLN  25          1HB       GLN  25 -10.970  -7.614   2.091
  142   1HG   GLN  25          2HG       GLN  25 -11.826  -8.537   3.986
  143   2HG   GLN  25          1HG       GLN  25 -10.689  -9.815   3.541
  144   1HE2  GLN  25          1HE2      GLN  25 -10.422 -10.433   5.798
  145   2HE2  GLN  25          2HE2      GLN  25  -9.523  -9.427   6.878
  146    H    LEU  26           H        LEU  26  -9.283  -6.771   0.271
  147    HA   LEU  26           HA       LEU  26 -10.748  -8.153  -1.693
  148   1HB   LEU  26          2HB       LEU  26  -9.050  -5.736  -1.597
  149   2HB   LEU  26          1HB       LEU  26  -9.019  -6.551  -3.147
  150    HG   LEU  26           HG       LEU  26 -10.844  -4.798  -2.840
  151   1HD1  LEU  26          1HD1      LEU  26 -11.600  -7.623  -3.615
  152   2HD1  LEU  26          2HD1      LEU  26 -10.816  -6.450  -4.649
  153   3HD1  LEU  26          3HD1      LEU  26 -12.461  -6.166  -4.095
  154   1HD2  LEU  26          1HD2      LEU  26 -12.691  -5.270  -1.527
  155   2HD2  LEU  26          2HD2      LEU  26 -11.384  -5.841  -0.501
  156   3HD2  LEU  26          3HD2      LEU  26 -12.348  -6.992  -1.433
  157    H    HIS  27           H        HIS  27  -7.235  -8.003  -1.274
  158    HA   HIS  27           HA       HIS  27  -6.462  -9.426  -3.562
  159   1HB   HIS  27          2HB       HIS  27  -4.761  -8.477  -2.149
  160   2HB   HIS  27          1HB       HIS  27  -5.292  -9.440  -0.764
  161    HD1  HIS  27           1HD      HIS  27  -4.873 -10.858  -4.240
  162    HD2  HIS  27           2HD      HIS  27  -2.962 -10.986  -0.532
  163    HE1  HIS  27           1HE      HIS  27  -3.129 -12.674  -4.398
  164    HE2  HIS  27           2HE      HIS  27  -2.247 -12.968  -2.053
  165    H    GLU  28           H        GLU  28  -7.187 -10.817  -0.338
  166    HA   GLU  28           HA       GLU  28  -7.157 -13.539  -1.468
  167   1HB   GLU  28          2HB       GLU  28  -7.588 -12.333   1.269
  168   2HB   GLU  28          1HB       GLU  28  -8.058 -14.013   0.975
  169   1HG   GLU  28          2HG       GLU  28  -5.471 -13.724  -0.172
  170   2HG   GLU  28          1HG       GLU  28  -5.430 -12.905   1.395
  171    H    ASP  29           H        ASP  29  -9.406 -11.094  -1.560
  172    HA   ASP  29           HA       ASP  29 -11.746 -12.838  -1.173
  173   1HB   ASP  29          2HB       ASP  29 -11.258  -9.920  -1.370
  174   2HB   ASP  29          1HB       ASP  29 -12.771 -10.462  -2.058
  175    H    GLY  30           H        GLY  30  -9.580 -12.280  -3.644
  176   1HA   GLY  30          2HA       GLY  30  -9.689 -12.543  -5.954
  177   2HA   GLY  30          1HA       GLY  30 -11.003 -13.667  -5.603
  178    H    GLU  31           H        GLU  31 -10.984 -10.180  -4.903
  179    HA   GLU  31           HA       GLU  31 -13.072  -9.825  -7.007
  180   1HB   GLU  31          2HB       GLU  31 -13.643  -9.871  -4.308
  181   2HB   GLU  31          1HB       GLU  31 -13.326  -8.169  -4.529
  182   1HG   GLU  31          2HG       GLU  31 -15.668  -8.581  -4.891
  183   2HG   GLU  31          1HG       GLU  31 -14.938  -8.138  -6.437
  184    H    THR  32           H        THR  32 -13.373  -6.990  -6.249
  185    HA   THR  32           HA       THR  32 -10.735  -5.805  -6.544
  186    HB   THR  32           HB       THR  32 -11.805  -4.658  -8.777
  187    HG1  THR  32           1HG      THR  32 -13.067  -6.066  -9.857
  188   1HG2  THR  32          1HG2      THR  32  -9.616  -6.077  -8.347
  189   2HG2  THR  32          2HG2      THR  32 -10.283  -5.883  -9.982
  190   3HG2  THR  32          3HG2      THR  32 -10.563  -7.345  -9.101
  191    H    VAL  33           H        VAL  33 -11.288  -3.288  -7.247
  192    HA   VAL  33           HA       VAL  33 -13.664  -2.477  -5.597
  193    HB   VAL  33           HB       VAL  33 -12.341  -0.711  -4.588
  194   1HG1  VAL  33          1HG1      VAL  33 -10.856  -2.060  -3.229
  195   2HG1  VAL  33          2HG1      VAL  33 -10.795  -3.322  -4.446
  196   3HG1  VAL  33          3HG1      VAL  33 -12.293  -3.006  -3.569
  197   1HG2  VAL  33          1HG2      VAL  33 -10.836  -0.184  -6.427
  198   2HG2  VAL  33          2HG2      VAL  33 -10.095  -1.781  -6.332
  199   3HG2  VAL  33          3HG2      VAL  33  -9.876  -0.627  -5.025
  200    H    GLY  34           H        GLY  34 -14.426  -0.283  -6.108
  201   1HA   GLY  34          2HA       GLY  34 -15.178   1.259  -7.699
  202   2HA   GLY  34          1HA       GLY  34 -13.490   1.336  -8.210
  203    H    SER  35           H        SER  35 -12.805  -0.014  -9.930
  204    HA   SER  35           HA       SER  35 -14.453  -1.982 -11.207
  205   1HB   SER  35          2HB       SER  35 -14.843  -0.437 -13.335
  206   2HB   SER  35          1HB       SER  35 -15.956  -0.357 -11.972
  207    HG   SER  35           HG       SER  35 -15.241   1.585 -11.480
  208    H    ASN  36           H        ASN  36 -11.590  -1.210 -10.536
  209    HA   ASN  36           HA       ASN  36 -10.431  -2.132 -13.091
  210   1HB   ASN  36          2HB       ASN  36 -10.096   0.577 -11.898
  211   2HB   ASN  36          1HB       ASN  36  -8.581  -0.213 -12.337
  212   1HD2  ASN  36          1HD2      ASN  36  -8.714   1.748 -13.915
  213   2HD2  ASN  36          2HD2      ASN  36  -9.459   1.402 -15.435
  214    H    SER  37           H        SER  37 -10.822  -2.840 -10.022
  215    HA   SER  37           HA       SER  37  -9.618  -4.096  -8.522
  216   1HB   SER  37          2HB       SER  37  -8.051  -5.612  -9.426
  217   2HB   SER  37          1HB       SER  37  -8.844  -5.095 -10.923
  218    HG   SER  37           HG       SER  37  -7.104  -3.971 -11.436
  219    H    TYR  38           H        TYR  38  -6.982  -4.288  -7.873
  220    HA   TYR  38           HA       TYR  38  -5.364  -2.102  -8.084
  221   1HB   TYR  38          2HB       TYR  38  -7.691  -1.211  -6.736
  222   2HB   TYR  38          1HB       TYR  38  -6.484  -1.409  -5.480
  223    HD1  TYR  38           1HD      TYR  38  -6.088  -0.478  -9.093
  224    HD2  TYR  38           2HD      TYR  38  -5.686   0.675  -5.022
  225    HE1  TYR  38           1HE      TYR  38  -4.929   1.570  -9.812
  226    HE2  TYR  38           2HE      TYR  38  -4.485   2.766  -5.717
  227    HH   TYR  38           HH       TYR  38  -3.133   3.228  -8.592
  228    HA   PRO  39           HA       PRO  39  -4.189  -4.322  -4.054
  229   1HB   PRO  39          2HB       PRO  39  -5.795  -6.380  -3.238
  230   2HB   PRO  39          1HB       PRO  39  -5.968  -4.711  -2.707
  231   1HG   PRO  39          2HG       PRO  39  -7.663  -6.240  -4.637
  232   2HG   PRO  39          1HG       PRO  39  -8.085  -4.862  -3.600
  233   1HD   PRO  39          2HD       PRO  39  -7.547  -4.780  -6.336
  234   2HD   PRO  39          1HD       PRO  39  -7.695  -3.379  -5.276
  235    H    HIS  40           H        HIS  40  -2.508  -5.190  -5.295
  236    HA   HIS  40           HA       HIS  40  -2.824  -8.079  -5.994
  237   1HB   HIS  40          2HB       HIS  40  -1.049  -6.871  -7.941
  238   2HB   HIS  40          1HB       HIS  40  -2.551  -7.762  -8.204
  239    HD1  HIS  40           1HD      HIS  40  -4.731  -6.424  -8.410
  240    HD2  HIS  40           2HD      HIS  40  -1.332  -4.060  -8.104
  241    HE1  HIS  40           1HE      HIS  40  -5.366  -4.129  -9.176
  242    HE2  HIS  40           2HE      HIS  40  -3.297  -2.736  -9.166
  243    H    LYS  41           H        LYS  41  -0.364  -8.764  -6.777
  244    HA   LYS  41           HA       LYS  41   1.167  -8.371  -4.346
  245   1HB   LYS  41          2HB       LYS  41   2.531 -10.115  -5.064
  246   2HB   LYS  41          1HB       LYS  41   0.990 -10.505  -5.817
  247   1HG   LYS  41          2HG       LYS  41   2.128 -10.646  -7.714
  248   2HG   LYS  41          1HG       LYS  41   2.075  -8.902  -7.751
  249   1HD   LYS  41          2HD       LYS  41   4.263  -9.530  -6.058
  250   2HD   LYS  41          1HD       LYS  41   4.320 -10.732  -7.355
  251   1HE   LYS  41          2HE       LYS  41   4.367  -7.739  -7.612
  252   2HE   LYS  41          1HE       LYS  41   5.606  -8.889  -8.115
  253   1HZ   LYS  41          1HZ       LYS  41   4.542  -8.457 -10.074
  254   2HZ   LYS  41          2HZ       LYS  41   3.030  -8.234  -9.375
  255   3HZ   LYS  41          3HZ       LYS  41   3.647  -9.802  -9.582
  256    H    TYR  42           H        TYR  42   3.080  -7.199  -4.107
  257    HA   TYR  42           HA       TYR  42   3.637  -5.262  -6.261
  258   1HB   TYR  42          2HB       TYR  42   3.143  -4.400  -3.956
  259   2HB   TYR  42          1HB       TYR  42   4.572  -5.241  -3.372
  260    HD1  TYR  42           1HD      TYR  42   6.062  -3.533  -2.770
  261    HD2  TYR  42           2HD      TYR  42   4.080  -3.396  -6.583
  262    HE1  TYR  42           1HE      TYR  42   7.476  -1.612  -3.443
  263    HE2  TYR  42           2HE      TYR  42   5.498  -1.499  -7.256
  264    HH   TYR  42           HH       TYR  42   7.984  -0.637  -6.459
  265    H    ASN  43           H        ASN  43   5.520  -5.439  -7.422
  266    HA   ASN  43           HA       ASN  43   7.422  -7.575  -6.611
  267   1HB   ASN  43          2HB       ASN  43   6.457  -7.187  -9.027
  268   2HB   ASN  43          1HB       ASN  43   7.670  -5.919  -9.130
  269   1HD2  ASN  43          1HD2      ASN  43   9.957  -6.583  -8.764
  270   2HD2  ASN  43          2HD2      ASN  43  10.401  -8.210  -9.133
  271    H    ASN  44           H        ASN  44   7.093  -4.270  -6.113
  272    HA   ASN  44           HA       ASN  44   8.617  -2.547  -5.712
  273   1HB   ASN  44          2HB       ASN  44  10.513  -3.465  -4.132
  274   2HB   ASN  44          1HB       ASN  44   8.843  -3.493  -3.578
  275   1HD2  ASN  44          1HD2      ASN  44   7.692  -5.552  -3.618
  276   2HD2  ASN  44          2HD2      ASN  44   8.584  -7.027  -3.730
  277    H    TYR  45           H        TYR  45   9.452  -1.985  -7.719
  278    HA   TYR  45           HA       TYR  45  11.732  -3.540  -8.783
  279   1HB   TYR  45          2HB       TYR  45  10.390  -0.990  -9.767
  280   2HB   TYR  45          1HB       TYR  45  11.626  -1.903 -10.648
  281    HD1  TYR  45           1HD      TYR  45  11.157  -4.468 -10.959
  282    HD2  TYR  45           2HD      TYR  45   8.146  -1.512 -10.157
  283    HE1  TYR  45           1HE      TYR  45   9.427  -5.979 -11.893
  284    HE2  TYR  45           2HE      TYR  45   6.414  -3.020 -11.090
  285    HH   TYR  45           HH       TYR  45   6.795  -5.319 -13.027
  286    H    GLU  46           H        GLU  46  11.127  -0.363  -7.298
  287    HA   GLU  46           HA       GLU  46  13.441   0.996  -7.655
  288   1HB   GLU  46          2HB       GLU  46  11.365   1.089  -5.824
  289   2HB   GLU  46          1HB       GLU  46  12.738   0.772  -4.774
  290   1HG   GLU  46          2HG       GLU  46  13.199   2.830  -6.880
  291   2HG   GLU  46          1HG       GLU  46  11.979   3.224  -5.668
  292    H    GLY  47           H        GLY  47  13.074  -1.704  -5.335
  293   1HA   GLY  47          2HA       GLY  47  14.886  -3.325  -5.097
  294   2HA   GLY  47          1HA       GLY  47  16.059  -2.053  -5.422
  295    H    PHE  48           H        PHE  48  13.382  -2.698  -3.117
  296    HA   PHE  48           HA       PHE  48  14.965  -1.293  -1.009
  297   1HB   PHE  48          2HB       PHE  48  12.085  -2.311  -1.055
  298   2HB   PHE  48          1HB       PHE  48  12.891  -1.509   0.295
  299    HD1  PHE  48           1HD      PHE  48  14.206   0.724  -0.350
  300    HD2  PHE  48           2HD      PHE  48  10.791  -0.893  -2.398
  301    HE1  PHE  48           1HE      PHE  48  13.678   2.974  -1.252
  302    HE2  PHE  48           2HE      PHE  48  10.273   1.348  -3.297
  303    HZ   PHE  48           HZ       PHE  48  11.722   3.274  -2.730
  304    H    ASP  49           H        ASP  49  14.525  -2.483   1.260
  305    HA   ASP  49           HA       ASP  49  15.232  -5.373   0.820
  306   1HB   ASP  49          2HB       ASP  49  16.231  -3.337   2.837
  307   2HB   ASP  49          1HB       ASP  49  16.409  -5.078   3.103
  308    H    PHE  50           H        PHE  50  13.589  -3.049   2.976
  309    HA   PHE  50           HA       PHE  50  11.931  -3.409   4.564
  310   1HB   PHE  50          2HB       PHE  50  11.188  -5.286   2.291
  311   2HB   PHE  50          1HB       PHE  50  10.162  -5.100   3.713
  312    HD1  PHE  50           1HD      PHE  50  12.153  -2.641   1.711
  313    HD2  PHE  50           2HD      PHE  50   8.353  -3.837   3.198
  314    HE1  PHE  50           1HE      PHE  50  11.154  -0.568   0.808
  315    HE2  PHE  50           2HE      PHE  50   7.326  -1.761   2.223
  316    HZ   PHE  50           HZ       PHE  50   8.749  -0.143   1.040
  317    H    SER  51           H        SER  51  10.608  -5.564   5.540
  318    HA   SER  51           HA       SER  51  12.587  -7.708   6.101
  319   1HB   SER  51          2HB       SER  51  11.163  -6.379   8.417
  320   2HB   SER  51          1HB       SER  51  12.643  -7.350   8.417
  321    HG   SER  51           HG       SER  51  12.276  -4.658   7.687
  322    H    VAL  52           H        VAL  52   9.822  -7.253   4.798
  323    HA   VAL  52           HA       VAL  52   8.116  -8.957   6.526
  324    HB   VAL  52           HB       VAL  52   7.651  -7.470   3.983
  325   1HG1  VAL  52          1HG1      VAL  52   5.993  -9.551   5.345
  326   2HG1  VAL  52          2HG1      VAL  52   6.248  -9.306   3.619
  327   3HG1  VAL  52          3HG1      VAL  52   5.190  -8.228   4.502
  328   1HG2  VAL  52          1HG2      VAL  52   6.544  -7.192   6.758
  329   2HG2  VAL  52          2HG2      VAL  52   6.000  -6.245   5.373
  330   3HG2  VAL  52          3HG2      VAL  52   7.655  -6.079   5.957
  331    H    SER  53           H        SER  53   8.322  -9.063   2.964
  332    HA   SER  53           HA       SER  53   9.674 -11.615   2.909
  333   1HB   SER  53          2HB       SER  53   6.662 -11.577   2.478
  334   2HB   SER  53          1HB       SER  53   7.719 -12.952   2.141
  335    HG   SER  53           HG       SER  53   6.791 -13.135   4.203
  336    H    SER  54           H        SER  54   9.046 -12.644   0.567
  337    HA   SER  54           HA       SER  54   9.846 -10.599  -1.350
  338   1HB   SER  54          2HB       SER  54   8.924 -13.176  -2.478
  339   2HB   SER  54          1HB       SER  54  10.464 -12.346  -2.603
  340    HG   SER  54           HG       SER  54  10.708 -14.261  -1.431
  341    HA   PRO  55           HA       PRO  55   5.550 -11.549  -3.240
  342   1HB   PRO  55          2HB       PRO  55   3.791 -12.995  -1.713
  343   2HB   PRO  55          1HB       PRO  55   4.920 -13.704  -2.865
  344   1HG   PRO  55          2HG       PRO  55   5.066 -13.664   0.123
  345   2HG   PRO  55          1HG       PRO  55   5.715 -14.860  -1.013
  346   1HD   PRO  55          2HD       PRO  55   7.145 -12.844   0.272
  347   2HD   PRO  55          1HD       PRO  55   7.729 -13.807  -1.073
  348    H    TYR  56           H        TYR  56   5.523  -9.320  -2.755
  349    HA   TYR  56           HA       TYR  56   4.190  -8.440  -0.275
  350   1HB   TYR  56          2HB       TYR  56   5.718  -7.151  -2.515
  351   2HB   TYR  56          1HB       TYR  56   4.613  -6.139  -1.620
  352    HD1  TYR  56           1HD      TYR  56   7.886  -6.842  -1.762
  353    HD2  TYR  56           2HD      TYR  56   4.706  -6.899   1.080
  354    HE1  TYR  56           1HE      TYR  56   9.532  -6.569   0.062
  355    HE2  TYR  56           2HE      TYR  56   6.307  -6.627   2.905
  356    HH   TYR  56           HH       TYR  56   9.505  -7.222   2.691
  357    H    TYR  57           H        TYR  57   2.772  -6.255  -1.057
  358    HA   TYR  57           HA       TYR  57   0.995  -6.889  -3.236
  359   1HB   TYR  57          2HB       TYR  57   0.104  -7.122  -0.354
  360   2HB   TYR  57          1HB       TYR  57  -1.038  -6.890  -1.695
  361    HD1  TYR  57           1HD      TYR  57   1.161  -9.250  -0.030
  362    HD2  TYR  57           2HD      TYR  57  -1.248  -8.567  -3.484
  363    HE1  TYR  57           1HE      TYR  57   1.242 -11.675  -0.559
  364    HE2  TYR  57           2HE      TYR  57  -1.141 -10.959  -4.059
  365    HH   TYR  57           HH       TYR  57  -0.169 -13.351  -1.866
  366    H    GLU  58           H        GLU  58   0.586  -4.967  -4.144
  367    HA   GLU  58           HA       GLU  58   1.024  -2.515  -2.556
  368   1HB   GLU  58          2HB       GLU  58   0.611  -1.381  -4.801
  369   2HB   GLU  58          1HB       GLU  58   2.010  -2.457  -4.712
  370   1HG   GLU  58          2HG       GLU  58   0.942  -4.192  -5.885
  371   2HG   GLU  58          1HG       GLU  58  -0.664  -3.474  -5.695
  372    H    TRP  59           H        TRP  59  -0.519  -1.107  -1.943
  373    HA   TRP  59           HA       TRP  59  -3.206  -1.119  -3.050
  374   1HB   TRP  59          2HB       TRP  59  -3.574  -2.955  -1.557
  375   2HB   TRP  59          1HB       TRP  59  -2.667  -2.171  -0.255
  376    HD1  TRP  59           HD       TRP  59  -3.904  -0.483   1.243
  377    HE1  TRP  59           1HE      TRP  59  -6.351   0.276   1.451
  378    HE3  TRP  59           3HE      TRP  59  -5.808  -2.545  -3.029
  379    HZ2  TRP  59           2HZ      TRP  59  -8.795   0.028  -0.027
  380    HZ3  TRP  59           3HZ      TRP  59  -8.206  -2.273  -3.588
  381    HH2  TRP  59           HH       TRP  59  -9.677  -1.007  -2.133
  382    HA   PRO  60           HA       PRO  60  -2.439   3.059  -1.702
  383   1HB   PRO  60          2HB       PRO  60  -4.957   4.068  -2.108
  384   2HB   PRO  60          1HB       PRO  60  -3.797   3.754  -3.397
  385   1HG   PRO  60          2HG       PRO  60  -6.139   2.117  -2.543
  386   2HG   PRO  60          1HG       PRO  60  -5.547   2.391  -4.145
  387   1HD   PRO  60          2HD       PRO  60  -5.106   0.119  -2.660
  388   2HD   PRO  60          1HD       PRO  60  -4.036   0.589  -3.942
  389    H    ILE  61           H        ILE  61  -2.754   4.363   0.082
  390    HA   ILE  61           HA       ILE  61  -4.441   3.178   2.268
  391    HB   ILE  61           HB       ILE  61  -2.317   3.097   3.169
  392   1HG1  ILE  61          2HG1      ILE  61  -1.982   4.939   4.699
  393   2HG1  ILE  61          1HG1      ILE  61  -2.914   6.038   3.685
  394   1HG2  ILE  61          1HG2      ILE  61  -1.690   5.505   1.439
  395   2HG2  ILE  61          2HG2      ILE  61  -1.060   3.866   1.332
  396   3HG2  ILE  61          3HG2      ILE  61  -0.572   4.888   2.657
  397   1HD1  ILE  61          1HD1      ILE  61  -4.573   3.801   4.241
  398   2HD1  ILE  61          2HD1      ILE  61  -4.741   5.421   4.800
  399   3HD1  ILE  61          3HD1      ILE  61  -3.831   4.284   5.736
  400    H    LEU  62           H        LEU  62  -6.179   4.429   2.850
  401    HA   LEU  62           HA       LEU  62  -6.060   7.363   2.202
  402   1HB   LEU  62          2HB       LEU  62  -8.677   5.894   2.397
  403   2HB   LEU  62          1HB       LEU  62  -8.235   7.317   1.439
  404    HG   LEU  62           HG       LEU  62  -7.506   4.426   0.881
  405   1HD1  LEU  62          1HD1      LEU  62  -8.547   5.091  -1.338
  406   2HD1  LEU  62          2HD1      LEU  62  -9.119   6.554  -0.544
  407   3HD1  LEU  62          3HD1      LEU  62  -9.650   4.974   0.021
  408   1HD2  LEU  62          1HD2      LEU  62  -5.610   5.176  -0.064
  409   2HD2  LEU  62          2HD2      LEU  62  -6.013   6.870   0.223
  410   3HD2  LEU  62          3HD2      LEU  62  -6.584   6.055  -1.201
  411    H    SER  63           H        SER  63  -7.518   8.672   3.624
  412    HA   SER  63           HA       SER  63  -7.770   7.457   6.360
  413   1HB   SER  63          2HB       SER  63  -5.798   8.966   6.192
  414   2HB   SER  63          1HB       SER  63  -6.852  10.301   5.759
  415    HG   SER  63           HG       SER  63  -7.726  10.218   7.775
  416    H    SER  64           H        SER  64  -9.910   7.481   4.619
  417    HA   SER  64           HA       SER  64 -11.632   9.599   5.856
  418   1HB   SER  64          2HB       SER  64 -10.857   9.703   3.218
  419   2HB   SER  64          1HB       SER  64 -12.359   8.783   3.093
  420    HG   SER  64           HG       SER  64 -11.939  11.389   4.081
  421    H    GLY  65           H        GLY  65 -11.101   6.585   6.239
  422   1HA   GLY  65          2HA       GLY  65 -12.381   4.686   6.665
  423   2HA   GLY  65          1HA       GLY  65 -13.710   5.812   6.946
  424    H    ASP  66           H        ASP  66 -11.899   5.146   3.935
  425    HA   ASP  66           HA       ASP  66 -14.291   3.832   2.791
  426   1HB   ASP  66          2HB       ASP  66 -13.733   6.629   2.377
  427   2HB   ASP  66          1HB       ASP  66 -13.426   5.795   0.851
  428    H    VAL  67           H        VAL  67 -13.461   2.068   1.844
  429    HA   VAL  67           HA       VAL  67 -10.728   1.609   1.295
  430    HB   VAL  67           HB       VAL  67 -13.123   0.384  -0.131
  431   1HG1  VAL  67          1HG1      VAL  67 -10.903  -0.021  -1.209
  432   2HG1  VAL  67          2HG1      VAL  67 -11.636  -1.477  -0.582
  433   3HG1  VAL  67          3HG1      VAL  67 -10.350  -0.707   0.311
  434   1HG2  VAL  67          1HG2      VAL  67 -13.335   0.135   2.284
  435   2HG2  VAL  67          2HG2      VAL  67 -11.660  -0.396   2.411
  436   3HG2  VAL  67          3HG2      VAL  67 -12.851  -1.406   1.592
  437    H    TYR  68           H        TYR  68  -9.504   1.759  -0.668
  438    HA   TYR  68           HA       TYR  68  -9.956   4.015  -2.297
  439   1HB   TYR  68          2HB       TYR  68  -7.744   3.119  -2.215
  440   2HB   TYR  68          1HB       TYR  68  -8.285   1.523  -2.763
  441    HD1  TYR  68           1HD      TYR  68  -7.928   5.090  -3.793
  442    HD2  TYR  68           2HD      TYR  68  -8.463   1.027  -5.075
  443    HE1  TYR  68           1HE      TYR  68  -7.557   5.783  -6.144
  444    HE2  TYR  68           2HE      TYR  68  -8.102   1.717  -7.429
  445    HH   TYR  68           HH       TYR  68  -8.447   4.426  -8.648
  446    H    SER  69           H        SER  69 -10.625   4.176  -4.529
  447    HA   SER  69           HA       SER  69 -11.907   1.862  -5.799
  448   1HB   SER  69          2HB       SER  69 -13.864   2.314  -4.651
  449   2HB   SER  69          1HB       SER  69 -13.471   4.025  -4.426
  450    HG   SER  69           HG       SER  69 -14.334   4.482  -6.327
  451    H    GLY  70           H        GLY  70 -11.829   5.450  -5.837
  452   1HA   GLY  70          2HA       GLY  70 -10.529   5.464  -8.450
  453   2HA   GLY  70          1HA       GLY  70 -12.236   5.900  -8.551
  454    H    GLY  71           H        GLY  71  -9.179   6.799  -6.970
  455   1HA   GLY  71          2HA       GLY  71  -9.258   9.511  -7.437
  456   2HA   GLY  71          1HA       GLY  71 -10.261   9.340  -5.995
  457    H    SER  72           H        SER  72  -7.493  10.538  -6.461
  458    HA   SER  72           HA       SER  72  -5.386  10.512  -5.446
  459   1HB   SER  72          2HB       SER  72  -7.448  10.038  -3.330
  460   2HB   SER  72          1HB       SER  72  -5.757   9.873  -2.852
  461    HG   SER  72           HG       SER  72  -5.375  11.949  -3.373
  462    HA   PRO  73           HA       PRO  73  -5.018   5.839  -5.590
  463   1HB   PRO  73          2HB       PRO  73  -3.786   5.712  -8.036
  464   2HB   PRO  73          1HB       PRO  73  -5.534   5.625  -7.816
  465   1HG   PRO  73          2HG       PRO  73  -3.865   7.888  -8.841
  466   2HG   PRO  73          1HG       PRO  73  -5.558   7.502  -9.194
  467   1HD   PRO  73          2HD       PRO  73  -4.635   9.499  -7.400
  468   2HD   PRO  73          1HD       PRO  73  -6.284   8.882  -7.557
  469    H    GLY  74           H        GLY  74  -2.671   8.213  -6.945
  470   1HA   GLY  74          2HA       GLY  74  -0.420   6.669  -5.905
  471   2HA   GLY  74          1HA       GLY  74  -0.346   8.210  -6.770
  472    H    ALA  75           H        ALA  75   0.811   9.532  -5.346
  473    HA   ALA  75           HA       ALA  75   1.240  10.819  -3.486
  474   1HB   ALA  75          1HB       ALA  75  -1.594  10.048  -2.693
  475   2HB   ALA  75          2HB       ALA  75  -1.130  11.417  -3.677
  476   3HB   ALA  75          3HB       ALA  75  -0.631  11.340  -1.994
  477    H    ASP  76           H        ASP  76  -0.895   8.545  -1.723
  478    HA   ASP  76           HA       ASP  76   1.555   7.561  -0.315
  479   1HB   ASP  76          2HB       ASP  76  -1.158   8.421   0.682
  480   2HB   ASP  76          1HB       ASP  76  -0.283   7.164   1.565
  481    H    ARG  77           H        ARG  77   1.749   5.371  -0.037
  482    HA   ARG  77           HA       ARG  77  -0.556   3.601  -0.599
  483   1HB   ARG  77          2HB       ARG  77   1.914   3.777  -2.350
  484   2HB   ARG  77          1HB       ARG  77   0.973   2.281  -2.235
  485   1HG   ARG  77          2HG       ARG  77  -1.075   3.696  -2.823
  486   2HG   ARG  77          1HG       ARG  77   0.064   4.976  -3.244
  487   1HD   ARG  77          2HD       ARG  77   1.029   3.680  -4.941
  488   2HD   ARG  77          1HD       ARG  77   0.312   2.192  -4.380
  489    HE   ARG  77           HE       ARG  77  -1.769   3.041  -4.860
  490   1HH1  ARG  77          1HH2      ARG  77  -0.530   1.331  -6.536
  491   2HH1  ARG  77          2HH2      ARG  77  -0.585   1.976  -8.144
  492   1HH2  ARG  77          1HH1      ARG  77  -1.296   5.204  -7.119
  493   2HH2  ARG  77          2HH1      ARG  77  -1.025   4.175  -8.468
  494    H    VAL  78           H        VAL  78  -0.381   1.772   0.665
  495    HA   VAL  78           HA       VAL  78   2.269   1.341   2.012
  496    HB   VAL  78           HB       VAL  78   0.437   2.040   3.545
  497   1HG1  VAL  78          1HG1      VAL  78  -1.447   0.550   3.920
  498   2HG1  VAL  78          2HG1      VAL  78  -0.852  -0.575   2.720
  499   3HG1  VAL  78          3HG1      VAL  78  -1.429   1.005   2.225
  500   1HG2  VAL  78          1HG2      VAL  78   1.288  -0.860   3.885
  501   2HG2  VAL  78          2HG2      VAL  78   0.778   0.238   5.157
  502   3HG2  VAL  78          3HG2      VAL  78   2.280   0.541   4.294
  503    H    VAL  79           H        VAL  79   3.144  -0.701   1.927
  504    HA   VAL  79           HA       VAL  79   1.684  -2.685   0.229
  505    HB   VAL  79           HB       VAL  79   4.613  -2.257   0.831
  506   1HG1  VAL  79          1HG1      VAL  79   4.206  -4.687   0.856
  507   2HG1  VAL  79          2HG1      VAL  79   5.014  -4.236  -0.610
  508   3HG1  VAL  79          3HG1      VAL  79   3.292  -4.550  -0.631
  509   1HG2  VAL  79          1HG2      VAL  79   4.804  -1.842  -1.501
  510   2HG2  VAL  79          2HG2      VAL  79   3.406  -0.918  -0.950
  511   3HG2  VAL  79          3HG2      VAL  79   3.170  -2.431  -1.816
  512    H    PHE  80           H        PHE  80   2.104  -4.987   0.820
  513    HA   PHE  80           HA       PHE  80   2.754  -5.554   3.598
  514   1HB   PHE  80          2HB       PHE  80   0.426  -6.343   4.109
  515   2HB   PHE  80          1HB       PHE  80   0.534  -4.610   3.812
  516    HD1  PHE  80           1HD      PHE  80   0.146  -3.821   1.319
  517    HD2  PHE  80           2HD      PHE  80  -1.166  -7.574   2.928
  518    HE1  PHE  80           1HE      PHE  80  -1.469  -4.015  -0.515
  519    HE2  PHE  80           2HE      PHE  80  -2.808  -7.767   1.088
  520    HZ   PHE  80           HZ       PHE  80  -2.976  -5.982  -0.631
  521    H    ASN  81           H        ASN  81   1.690  -8.028   3.904
  522    HA   ASN  81           HA       ASN  81   2.492  -9.483   1.403
  523   1HB   ASN  81          2HB       ASN  81   4.174  -9.689   3.171
  524   2HB   ASN  81          1HB       ASN  81   2.966 -10.330   4.283
  525   1HD2  ASN  81          1HD2      ASN  81   4.660 -12.208   4.163
  526   2HD2  ASN  81          2HD2      ASN  81   4.374 -13.377   2.926
  527    H    GLU  82           H        GLU  82   0.602  -9.685   4.386
  528    HA   GLU  82           HA       GLU  82  -1.818 -10.443   3.311
  529   1HB   GLU  82          2HB       GLU  82  -1.799 -12.967   3.683
  530   2HB   GLU  82          1HB       GLU  82  -0.875 -12.423   2.291
  531   1HG   GLU  82          2HG       GLU  82   1.139 -12.345   4.053
  532   2HG   GLU  82          1HG       GLU  82   0.078 -13.432   4.943
  533    H    ASN  83           H        ASN  83   0.555 -10.841   5.845
  534    HA   ASN  83           HA       ASN  83  -1.599 -11.199   7.858
  535   1HB   ASN  83          2HB       ASN  83   1.173 -12.077   7.631
  536   2HB   ASN  83          1HB       ASN  83   0.970 -11.154   9.118
  537   1HD2  ASN  83          1HD2      ASN  83   1.445 -13.951   9.141
  538   2HD2  ASN  83          2HD2      ASN  83   0.017 -14.709   9.751
  539    H    ASN  84           H        ASN  84  -1.058  -8.699   6.333
  540    HA   ASN  84           HA       ASN  84  -0.706  -6.458   6.682
  541   1HB   ASN  84          2HB       ASN  84  -1.929  -5.563   8.546
  542   2HB   ASN  84          1HB       ASN  84  -2.782  -7.037   8.071
  543   1HD2  ASN  84          1HD2      ASN  84  -0.719  -5.612  10.549
  544   2HD2  ASN  84          2HD2      ASN  84  -0.949  -6.893  11.685
  545    H    GLN  85           H        GLN  85   1.516  -8.280   7.359
  546    HA   GLN  85           HA       GLN  85   2.848  -7.555   9.759
  547   1HB   GLN  85          2HB       GLN  85   4.487  -7.892   7.249
  548   2HB   GLN  85          1HB       GLN  85   4.739  -8.563   8.869
  549   1HG   GLN  85          2HG       GLN  85   2.388  -9.788   8.163
  550   2HG   GLN  85          1HG       GLN  85   3.187  -9.624   6.589
  551   1HE2  GLN  85          1HE2      GLN  85   4.568 -11.322   6.141
  552   2HE2  GLN  85          2HE2      GLN  85   5.313 -12.317   7.340
  553    H    LEU  86           H        LEU  86   2.478  -5.948   6.657
  554    HA   LEU  86           HA       LEU  86   2.590  -3.703   6.242
  555   1HB   LEU  86          2HB       LEU  86   2.723  -3.582   8.969
  556   2HB   LEU  86          1HB       LEU  86   4.343  -3.000   8.579
  557    HG   LEU  86           HG       LEU  86   3.000  -1.058   8.645
  558   1HD1  LEU  86          1HD1      LEU  86   3.068  -0.219   6.422
  559   2HD1  LEU  86          2HD1      LEU  86   2.950  -1.810   5.698
  560   3HD1  LEU  86          3HD1      LEU  86   4.419  -1.328   6.557
  561   1HD2  LEU  86          1HD2      LEU  86   0.825  -2.229   8.675
  562   2HD2  LEU  86          2HD2      LEU  86   0.978  -2.548   6.949
  563   3HD2  LEU  86          3HD2      LEU  86   0.824  -0.892   7.527
  564    H    ALA  87           H        ALA  87   3.906  -3.677   4.486
  565    HA   ALA  87           HA       ALA  87   6.756  -4.385   4.659
  566   1HB   ALA  87          1HB       ALA  87   6.732  -4.249   2.308
  567   2HB   ALA  87          2HB       ALA  87   5.478  -3.049   2.302
  568   3HB   ALA  87          3HB       ALA  87   5.087  -4.715   2.668
  569    H    GLY  88           H        GLY  88   4.800  -1.460   4.110
  570   1HA   GLY  88          2HA       GLY  88   6.214   0.397   5.517
  571   2HA   GLY  88          1HA       GLY  88   7.203   0.255   4.060
  572    H    VAL  89           H        VAL  89   5.819   2.649   4.789
  573    HA   VAL  89           HA       VAL  89   3.481   2.725   2.940
  574    HB   VAL  89           HB       VAL  89   4.573   4.841   4.812
  575   1HG1  VAL  89          1HG1      VAL  89   2.050   4.680   3.134
  576   2HG1  VAL  89          2HG1      VAL  89   3.357   5.853   2.962
  577   3HG1  VAL  89          3HG1      VAL  89   2.333   5.886   4.389
  578   1HG2  VAL  89          1HG2      VAL  89   3.677   2.934   6.053
  579   2HG2  VAL  89          2HG2      VAL  89   2.279   2.882   5.015
  580   3HG2  VAL  89          3HG2      VAL  89   2.472   4.216   6.104
  581    H    ILE  90           H        ILE  90   4.530   2.640   0.943
  582    HA   ILE  90           HA       ILE  90   6.703   4.500   0.271
  583    HB   ILE  90           HB       ILE  90   6.305   3.654  -2.054
  584   1HG1  ILE  90          2HG1      ILE  90   4.023   2.273  -0.661
  585   2HG1  ILE  90          1HG1      ILE  90   4.083   2.926  -2.278
  586   1HG2  ILE  90          1HG2      ILE  90   6.641   1.433  -0.042
  587   2HG2  ILE  90          2HG2      ILE  90   7.869   2.659  -0.339
  588   3HG2  ILE  90          3HG2      ILE  90   7.396   1.577  -1.634
  589   1HD1  ILE  90          1HD1      ILE  90   4.019   0.600  -2.545
  590   2HD1  ILE  90          2HD1      ILE  90   5.141   0.331  -1.226
  591   3HD1  ILE  90          3HD1      ILE  90   5.722   0.944  -2.742
  592    H    THR  91           H        THR  91   6.319   5.908  -1.829
  593    HA   THR  91           HA       THR  91   3.621   7.173  -1.660
  594    HB   THR  91           HB       THR  91   5.518   8.393  -0.415
  595    HG1  THR  91           1HG      THR  91   4.139   9.779  -2.521
  596   1HG2  THR  91          1HG2      THR  91   6.278   9.388  -3.142
  597   2HG2  THR  91          2HG2      THR  91   7.079   7.988  -2.449
  598   3HG2  THR  91          3HG2      THR  91   7.150   9.536  -1.623
  599    H    HIS  92           H        HIS  92   2.827   8.036  -3.555
  600    HA   HIS  92           HA       HIS  92   4.164   7.175  -6.050
  601   1HB   HIS  92          2HB       HIS  92   1.481   7.465  -5.152
  602   2HB   HIS  92          1HB       HIS  92   1.671   8.460  -6.602
  603    HD1  HIS  92           1HD      HIS  92   2.426   4.935  -5.394
  604    HD2  HIS  92           2HD      HIS  92   1.484   6.991  -8.891
  605    HE1  HIS  92           1HE      HIS  92   1.993   3.197  -7.174
  606    HE2  HIS  92           2HE      HIS  92   1.832   4.452  -9.352
  607    H    THR  93           H        THR  93   5.746   9.036  -5.235
  608    HA   THR  93           HA       THR  93   5.521  11.198  -7.070
  609    HB   THR  93           HB       THR  93   3.664  11.734  -5.294
  610    HG1  THR  93           1HG      THR  93   4.163  13.303  -6.724
  611   1HG2  THR  93          1HG2      THR  93   5.493  11.284  -3.442
  612   2HG2  THR  93          2HG2      THR  93   4.295  12.549  -3.264
  613   3HG2  THR  93          3HG2      THR  93   5.915  12.965  -3.782
  614    H    GLY  94           H        GLY  94   7.495   9.328  -5.652
  615   1HA   GLY  94          2HA       GLY  94   9.520  11.460  -5.053
  616   2HA   GLY  94          1HA       GLY  94   9.353  10.035  -4.032
  617    H    ALA  95           H        ALA  95   8.859   9.775  -7.499
  618    HA   ALA  95           HA       ALA  95  11.636   8.937  -7.985
  619   1HB   ALA  95          1HB       ALA  95   9.520   7.015  -7.333
  620   2HB   ALA  95          2HB       ALA  95  11.262   6.827  -7.292
  621   3HB   ALA  95          3HB       ALA  95  10.404   6.620  -8.812
  622    H    SER  96           H        SER  96  11.666  10.337  -9.763
  623    HA   SER  96           HA       SER  96  10.998  11.242 -11.829
  624   1HB   SER  96          2HB       SER  96  11.762   8.451 -11.989
  625   2HB   SER  96          1HB       SER  96  10.621   8.810 -13.280
  626    HG   SER  96           HG       SER  96  12.756   9.281 -13.894
  627    H    GLY  97           H        GLY  97   8.754  11.467 -10.390
  628   1HA   GLY  97          2HA       GLY  97   6.564  11.938 -11.551
  629   2HA   GLY  97          1HA       GLY  97   6.585  10.269 -12.112
  630    H    ASN  98           H        ASN  98   6.306   8.564 -10.522
  631    HA   ASN  98           HA       ASN  98   5.414   9.480  -7.883
  632   1HB   ASN  98          2HB       ASN  98   3.663   7.410  -8.524
  633   2HB   ASN  98          1HB       ASN  98   3.229   9.093  -8.396
  634   1HD2  ASN  98          1HD2      ASN  98   3.355  10.411 -10.381
  635   2HD2  ASN  98          2HD2      ASN  98   3.159   9.609 -11.898
  636    H    ASN  99           H        ASN  99   5.437   6.354  -9.597
  637    HA   ASN  99           HA       ASN  99   6.199   4.298  -8.812
  638   1HB   ASN  99          2HB       ASN  99   8.349   6.108  -9.146
  639   2HB   ASN  99          1HB       ASN  99   8.687   5.275  -7.625
  640   1HD2  ASN  99          1HD2      ASN  99   9.987   3.524  -7.999
  641   2HD2  ASN  99          2HD2      ASN  99   9.844   2.481  -9.368
  642    H    PHE 100           H        PHE 100   7.775   3.573  -6.593
  643    HA   PHE 100           HA       PHE 100   6.228   4.734  -4.316
  644   1HB   PHE 100          2HB       PHE 100   6.882   1.867  -4.031
  645   2HB   PHE 100          1HB       PHE 100   5.448   2.798  -3.665
  646    HD1  PHE 100           1HD      PHE 100   7.264   1.774  -6.757
  647    HD2  PHE 100           2HD      PHE 100   3.521   2.200  -4.687
  648    HE1  PHE 100           1HE      PHE 100   6.077   0.844  -8.713
  649    HE2  PHE 100           2HE      PHE 100   2.339   1.246  -6.642
  650    HZ   PHE 100           HZ       PHE 100   3.612   0.575  -8.656
  651    H    VAL 101           H        VAL 101   7.674   5.660  -3.002
  652    HA   VAL 101           HA       VAL 101  10.150   4.147  -2.361
  653    HB   VAL 101           HB       VAL 101  11.176   6.539  -2.047
  654   1HG1  VAL 101          1HG1      VAL 101  10.616   5.339  -4.780
  655   2HG1  VAL 101          2HG1      VAL 101  11.989   4.989  -3.732
  656   3HG1  VAL 101          3HG1      VAL 101  11.828   6.579  -4.454
  657   1HG2  VAL 101          1HG2      VAL 101   8.934   7.110  -4.027
  658   2HG2  VAL 101          2HG2      VAL 101  10.222   8.201  -3.541
  659   3HG2  VAL 101          3HG2      VAL 101   9.022   7.707  -2.368
  660    H    GLU 102           H        GLU 102  10.352   3.797  -0.220
  661    HA   GLU 102           HA       GLU 102   8.414   4.304   1.672
  662   1HB   GLU 102          2HB       GLU 102  11.419   4.326   2.145
  663   2HB   GLU 102          1HB       GLU 102  10.194   4.106   3.402
  664   1HG   GLU 102          2HG       GLU 102   9.433   2.206   1.543
  665   2HG   GLU 102          1HG       GLU 102  11.196   2.216   1.364
  666    H    CYS 103           H        CYS 103   7.444   6.292   1.929
  667    HA   CYS 103           HA       CYS 103   8.897   8.777   1.696
  668   1HB   CYS 103          2HB       CYS 103   6.235   8.132   1.637
  669   2HB   CYS 103          1HB       CYS 103   6.342   8.817   3.263
  670    H    THR 104           H        THR 104  10.477   9.230   3.178
  671    HA   THR 104           HA       THR 104   9.707   9.163   6.069
  672    HB   THR 104           HB       THR 104  11.029   7.099   5.582
  673    HG1  THR 104           1HG      THR 104  11.411   7.869   7.602
  674   1HG2  THR 104          1HG2      THR 104  12.278   8.096   3.632
  675   2HG2  THR 104          2HG2      THR 104  13.290   7.251   4.792
  676   3HG2  THR 104          3HG2      THR 104  13.247   9.007   4.793
  Start of MODEL   24
    1   1H    ALA   1          1HT       ALA   1   0.886  12.680  15.164
    2   2H    ALA   1          2HT       ALA   1   0.236  12.478  16.736
    3   3H    ALA   1          3HT       ALA   1  -0.773  12.281  15.358
    4    HA   ALA   1           HA       ALA   1   1.538  10.580  16.117
    5   1HB   ALA   1          1HB       ALA   1  -1.448  10.052  16.150
    6   2HB   ALA   1          2HB       ALA   1  -0.418  10.272  17.563
    7   3HB   ALA   1          3HB       ALA   1  -0.190   8.868  16.521
    8    H    CYS   2           H        CYS   2   2.399   9.619  14.323
    9    HA   CYS   2           HA       CYS   2   1.063   8.236  12.379
   10   1HB   CYS   2          2HB       CYS   2   1.193  10.011  10.432
   11   2HB   CYS   2          1HB       CYS   2  -0.169  10.049  11.553
   12    H    ASP   3           H        ASP   3   2.907   6.995  12.268
   13    HA   ASP   3           HA       ASP   3   5.517   8.246  11.823
   14   1HB   ASP   3          2HB       ASP   3   4.866   5.943  13.015
   15   2HB   ASP   3          1HB       ASP   3   5.051   5.295  11.381
   16    H    TYR   4           H        TYR   4   2.896   7.664   9.803
   17    HA   TYR   4           HA       TYR   4   4.691   7.373   7.452
   18   1HB   TYR   4          2HB       TYR   4   1.912   6.306   8.023
   19   2HB   TYR   4          1HB       TYR   4   2.470   6.516   6.354
   20    HD1  TYR   4           1HD      TYR   4   1.924   3.973   8.365
   21    HD2  TYR   4           2HD      TYR   4   5.324   5.848   6.515
   22    HE1  TYR   4           1HE      TYR   4   3.169   1.831   8.465
   23    HE2  TYR   4           2HE      TYR   4   6.564   3.723   6.628
   24    HH   TYR   4           HH       TYR   4   6.159   1.411   8.417
   25    H    THR   5           H        THR   5   4.984   9.367   6.672
   26    HA   THR   5           HA       THR   5   2.541  10.927   5.964
   27    HB   THR   5           HB       THR   5   4.948  12.033   7.472
   28    HG1  THR   5           1HG      THR   5   2.178  11.758   8.155
   29   1HG2  THR   5          1HG2      THR   5   2.794  13.315   5.851
   30   2HG2  THR   5          2HG2      THR   5   4.451  13.831   6.165
   31   3HG2  THR   5          3HG2      THR   5   3.212  14.067   7.389
   32    H    CYS   6           H        CYS   6   2.810  12.077   4.007
   33    HA   CYS   6           HA       CYS   6   5.513  11.799   2.715
   34   1HB   CYS   6          2HB       CYS   6   2.737  11.472   1.545
   35   2HB   CYS   6          1HB       CYS   6   4.198  11.616   0.553
   36    H    GLY   7           H        GLY   7   3.878  13.986   4.136
   37   1HA   GLY   7          2HA       GLY   7   5.015  16.215   2.979
   38   2HA   GLY   7          1HA       GLY   7   3.475  16.033   2.136
   39    H    SER   8           H        SER   8   1.509  16.246   3.361
   40    HA   SER   8           HA       SER   8   1.896  17.460   6.083
   41   1HB   SER   8          2HB       SER   8   0.804  18.646   3.702
   42   2HB   SER   8          1HB       SER   8  -0.505  18.468   4.865
   43    HG   SER   8           HG       SER   8   1.905  19.900   5.104
   44    H    ASN   9           H        ASN   9   1.203  14.652   5.192
   45    HA   ASN   9           HA       ASN   9  -1.570  14.499   6.309
   46   1HB   ASN   9          2HB       ASN   9   0.056  12.713   4.494
   47   2HB   ASN   9          1HB       ASN   9  -1.285  12.063   5.412
   48   1HD2  ASN   9          1HD2      ASN   9  -0.693  15.020   3.462
   49   2HD2  ASN   9          2HD2      ASN   9  -2.207  14.922   2.653
   50    H    CYS  10           H        CYS  10  -1.862  13.605   8.284
   51    HA   CYS  10           HA       CYS  10   0.527  12.451   9.623
   52   1HB   CYS  10          2HB       CYS  10  -0.566  14.420  10.713
   53   2HB   CYS  10          1HB       CYS  10  -2.070  13.496  10.834
   54    H    TYR  11           H        TYR  11   0.065  10.417   8.375
   55    HA   TYR  11           HA       TYR  11  -2.406   8.977   9.063
   56   1HB   TYR  11          2HB       TYR  11  -0.002   8.405   7.339
   57   2HB   TYR  11          1HB       TYR  11  -1.083   7.086   7.781
   58    HD1  TYR  11           1HD      TYR  11  -2.261   6.610   5.820
   59    HD2  TYR  11           2HD      TYR  11  -1.876  10.689   7.100
   60    HE1  TYR  11           1HE      TYR  11  -3.865   7.334   4.061
   61    HE2  TYR  11           2HE      TYR  11  -3.467  11.395   5.377
   62    HH   TYR  11           HH       TYR  11  -5.161  10.579   3.911
   63    H    SER  12           H        SER  12  -2.636   7.661  10.779
   64    HA   SER  12           HA       SER  12  -0.360   7.167  12.560
   65   1HB   SER  12          2HB       SER  12  -2.892   5.754  13.127
   66   2HB   SER  12          1HB       SER  12  -1.923   6.813  14.147
   67    HG   SER  12           HG       SER  12  -3.890   7.801  13.639
   68    H    SER  13           H        SER  13   0.912   5.368  12.461
   69    HA   SER  13           HA       SER  13   0.751   3.412  10.480
   70   1HB   SER  13          2HB       SER  13   1.803   2.003  12.663
   71   2HB   SER  13          1HB       SER  13   2.710   3.010  11.532
   72    HG   SER  13           HG       SER  13   3.097   3.762  13.598
   73    H    SER  14           H        SER  14  -1.178   3.715  13.378
   74    HA   SER  14           HA       SER  14  -2.111   0.955  13.329
   75   1HB   SER  14          2HB       SER  14  -2.435   3.318  15.047
   76   2HB   SER  14          1HB       SER  14  -3.939   2.417  14.849
   77    HG   SER  14           HG       SER  14  -3.006   0.634  15.691
   78    H    ASP  15           H        ASP  15  -3.370   4.110  12.226
   79    HA   ASP  15           HA       ASP  15  -5.930   3.030  11.421
   80   1HB   ASP  15          2HB       ASP  15  -4.585   5.618  11.344
   81   2HB   ASP  15          1HB       ASP  15  -5.309   5.285   9.769
   82    H    VAL  16           H        VAL  16  -2.781   3.432   9.924
   83    HA   VAL  16           HA       VAL  16  -3.516   2.830   7.250
   84    HB   VAL  16           HB       VAL  16  -0.930   1.852   8.504
   85   1HG1  VAL  16          1HG1      VAL  16  -1.700   2.980   5.802
   86   2HG1  VAL  16          2HG1      VAL  16  -1.292   1.314   6.150
   87   3HG1  VAL  16          3HG1      VAL  16  -0.058   2.567   6.269
   88   1HG2  VAL  16          1HG2      VAL  16  -0.243   4.319   7.728
   89   2HG2  VAL  16          2HG2      VAL  16  -0.816   3.967   9.325
   90   3HG2  VAL  16          3HG2      VAL  16  -1.918   4.662   8.159
   91    H    SER  17           H        SER  17  -3.188   0.844  10.111
   92    HA   SER  17           HA       SER  17  -2.966  -1.704   8.872
   93   1HB   SER  17          2HB       SER  17  -2.716  -1.136  11.358
   94   2HB   SER  17          1HB       SER  17  -4.480  -1.146  11.448
   95    HG   SER  17           HG       SER  17  -3.749  -3.201  11.931
   96    H    THR  18           H        THR  18  -5.805   0.245   9.831
   97    HA   THR  18           HA       THR  18  -7.755  -1.691   8.994
   98    HB   THR  18           HB       THR  18  -8.825   0.944   8.563
   99    HG1  THR  18           1HG      THR  18  -8.015   2.111  10.214
  100   1HG2  THR  18          1HG2      THR  18  -9.985  -0.961   9.601
  101   2HG2  THR  18          2HG2      THR  18 -10.036   0.472  10.626
  102   3HG2  THR  18          3HG2      THR  18  -8.921  -0.841  11.006
  103    H    ALA  19           H        ALA  19  -5.937   0.827   7.335
  104    HA   ALA  19           HA       ALA  19  -7.380   0.427   4.800
  105   1HB   ALA  19          1HB       ALA  19  -5.835   2.070   3.924
  106   2HB   ALA  19          2HB       ALA  19  -4.828   1.946   5.373
  107   3HB   ALA  19          3HB       ALA  19  -6.446   2.649   5.478
  108    H    GLN  20           H        GLN  20  -4.877  -1.130   6.505
  109    HA   GLN  20           HA       GLN  20  -3.500  -2.075   4.097
  110   1HB   GLN  20          2HB       GLN  20  -2.592  -1.600   6.667
  111   2HB   GLN  20          1HB       GLN  20  -2.847  -3.334   6.728
  112   1HG   GLN  20          2HG       GLN  20  -1.019  -1.771   4.935
  113   2HG   GLN  20          1HG       GLN  20  -0.674  -3.143   5.986
  114   1HE2  GLN  20          1HE2      GLN  20  -1.895  -5.212   5.366
  115   2HE2  GLN  20          2HE2      GLN  20  -2.135  -5.503   3.705
  116    H    ALA  21           H        ALA  21  -6.006  -2.972   6.304
  117    HA   ALA  21           HA       ALA  21  -5.917  -5.833   5.587
  118   1HB   ALA  21          1HB       ALA  21  -6.546  -5.171   7.868
  119   2HB   ALA  21          2HB       ALA  21  -7.881  -5.997   7.066
  120   3HB   ALA  21          3HB       ALA  21  -7.904  -4.239   7.237
  121    H    ALA  22           H        ALA  22  -7.134  -2.951   4.239
  122    HA   ALA  22           HA       ALA  22  -9.579  -4.104   3.113
  123   1HB   ALA  22          1HB       ALA  22  -8.091  -1.562   2.370
  124   2HB   ALA  22          2HB       ALA  22  -9.359  -1.679   3.590
  125   3HB   ALA  22          3HB       ALA  22  -9.732  -2.002   1.902
  126    H    GLY  23           H        GLY  23  -6.461  -2.948   1.731
  127   1HA   GLY  23          2HA       GLY  23  -6.896  -4.056  -0.872
  128   2HA   GLY  23          1HA       GLY  23  -5.325  -3.668  -0.183
  129    H    TYR  24           H        TYR  24  -6.022  -5.503   2.176
  130    HA   TYR  24           HA       TYR  24  -4.916  -7.927   0.938
  131   1HB   TYR  24          2HB       TYR  24  -3.903  -7.301   3.013
  132   2HB   TYR  24          1HB       TYR  24  -5.469  -7.068   3.793
  133    HD1  TYR  24           1HD      TYR  24  -6.218  -8.759   5.182
  134    HD2  TYR  24           2HD      TYR  24  -3.585  -9.739   1.934
  135    HE1  TYR  24           1HE      TYR  24  -6.190 -11.126   5.922
  136    HE2  TYR  24           2HE      TYR  24  -3.561 -12.108   2.668
  137    HH   TYR  24           HH       TYR  24  -5.554 -13.575   4.310
  138    H    GLN  25           H        GLN  25  -7.536  -7.512   3.365
  139    HA   GLN  25           HA       GLN  25  -8.814  -9.925   3.018
  140   1HB   GLN  25          2HB       GLN  25  -9.503  -7.472   4.209
  141   2HB   GLN  25          1HB       GLN  25 -10.803  -7.747   3.068
  142   1HG   GLN  25          2HG       GLN  25 -11.600  -8.882   4.892
  143   2HG   GLN  25          1HG       GLN  25 -10.756 -10.199   4.066
  144   1HE2  GLN  25          1HE2      GLN  25 -10.828  -8.256   6.938
  145   2HE2  GLN  25          2HE2      GLN  25  -9.437  -8.969   7.674
  146    H    LEU  26           H        LEU  26  -9.496  -6.983   1.101
  147    HA   LEU  26           HA       LEU  26 -11.338  -8.185  -0.698
  148   1HB   LEU  26          2HB       LEU  26  -9.499  -5.818  -0.789
  149   2HB   LEU  26          1HB       LEU  26 -10.201  -6.338  -2.302
  150    HG   LEU  26           HG       LEU  26 -11.442  -4.568  -0.695
  151   1HD1  LEU  26          1HD1      LEU  26 -12.365  -5.019  -2.786
  152   2HD1  LEU  26          2HD1      LEU  26 -13.630  -5.571  -1.721
  153   3HD1  LEU  26          3HD1      LEU  26 -12.514  -6.713  -2.451
  154   1HD2  LEU  26          1HD2      LEU  26 -11.571  -6.277   1.180
  155   2HD2  LEU  26          2HD2      LEU  26 -12.697  -7.199   0.176
  156   3HD2  LEU  26          3HD2      LEU  26 -13.093  -5.572   0.685
  157    H    HIS  27           H        HIS  27  -7.804  -7.981  -0.856
  158    HA   HIS  27           HA       HIS  27  -7.424  -9.096  -3.397
  159   1HB   HIS  27          2HB       HIS  27  -5.526  -8.268  -2.149
  160   2HB   HIS  27          1HB       HIS  27  -5.769  -9.463  -0.875
  161    HD1  HIS  27           1HD      HIS  27  -5.947 -10.221  -4.570
  162    HD2  HIS  27           2HD      HIS  27  -3.446 -10.944  -1.309
  163    HE1  HIS  27           1HE      HIS  27  -4.232 -11.897  -5.347
  164    HE2  HIS  27           2HE      HIS  27  -2.909 -12.546  -3.291
  165    H    GLU  28           H        GLU  28  -7.607 -10.860  -0.281
  166    HA   GLU  28           HA       GLU  28  -7.749 -13.417  -1.725
  167   1HB   GLU  28          2HB       GLU  28  -6.561 -13.126   0.500
  168   2HB   GLU  28          1HB       GLU  28  -8.142 -12.901   1.251
  169   1HG   GLU  28          2HG       GLU  28  -7.475 -15.213   1.487
  170   2HG   GLU  28          1HG       GLU  28  -8.838 -15.153   0.384
  171    H    ASP  29           H        ASP  29  -9.981 -11.032  -1.074
  172    HA   ASP  29           HA       ASP  29 -12.214 -12.883  -0.546
  173   1HB   ASP  29          2HB       ASP  29 -12.091 -10.709   0.680
  174   2HB   ASP  29          1HB       ASP  29 -12.247  -9.862  -0.861
  175    H    GLY  30           H        GLY  30 -10.545 -11.619  -3.213
  176   1HA   GLY  30          2HA       GLY  30 -11.066 -12.114  -5.465
  177   2HA   GLY  30          1HA       GLY  30 -12.736 -12.455  -5.020
  178    H    GLU  31           H        GLU  31 -13.228 -10.020  -3.558
  179    HA   GLU  31           HA       GLU  31 -13.918  -8.277  -5.722
  180   1HB   GLU  31          2HB       GLU  31 -14.033  -8.166  -2.710
  181   2HB   GLU  31          1HB       GLU  31 -14.185  -6.647  -3.590
  182   1HG   GLU  31          2HG       GLU  31 -16.339  -7.838  -3.083
  183   2HG   GLU  31          1HG       GLU  31 -16.078  -7.310  -4.753
  184    H    THR  32           H        THR  32 -13.242  -5.741  -5.157
  185    HA   THR  32           HA       THR  32 -10.414  -5.475  -4.492
  186    HB   THR  32           HB       THR  32  -9.930  -4.510  -6.853
  187    HG1  THR  32           1HG      THR  32 -11.286  -5.320  -8.481
  188   1HG2  THR  32          1HG2      THR  32  -9.299  -6.862  -5.785
  189   2HG2  THR  32          2HG2      THR  32  -8.985  -6.519  -7.466
  190   3HG2  THR  32          3HG2      THR  32 -10.403  -7.448  -7.031
  191    H    VAL  33           H        VAL  33 -11.884  -3.390  -6.922
  192    HA   VAL  33           HA       VAL  33 -12.626  -1.454  -4.767
  193    HB   VAL  33           HB       VAL  33 -11.535   0.334  -6.298
  194   1HG1  VAL  33          1HG1      VAL  33  -9.404   0.066  -5.228
  195   2HG1  VAL  33          2HG1      VAL  33  -9.709  -1.651  -4.958
  196   3HG1  VAL  33          3HG1      VAL  33 -10.654  -0.441  -4.092
  197   1HG2  VAL  33          1HG2      VAL  33  -9.841  -0.416  -7.811
  198   2HG2  VAL  33          2HG2      VAL  33 -11.249  -1.369  -8.209
  199   3HG2  VAL  33          3HG2      VAL  33  -9.969  -2.070  -7.258
  200    H    GLY  34           H        GLY  34 -12.630   0.024  -7.831
  201   1HA   GLY  34          2HA       GLY  34 -15.558  -0.340  -7.994
  202   2HA   GLY  34          1HA       GLY  34 -14.599   0.919  -8.765
  203    H    SER  35           H        SER  35 -14.075  -2.614  -8.807
  204    HA   SER  35           HA       SER  35 -14.175  -4.104 -10.586
  205   1HB   SER  35          2HB       SER  35 -16.194  -2.436 -11.228
  206   2HB   SER  35          1HB       SER  35 -15.090  -2.023 -12.548
  207    HG   SER  35           HG       SER  35 -16.287  -4.493 -11.924
  208    H    ASN  36           H        ASN  36 -11.951  -2.101  -9.988
  209    HA   ASN  36           HA       ASN  36 -10.608  -2.236 -12.658
  210   1HB   ASN  36          2HB       ASN  36 -10.807  -0.072 -10.612
  211   2HB   ASN  36          1HB       ASN  36  -9.197  -0.317 -11.293
  212   1HD2  ASN  36          1HD2      ASN  36 -10.965   1.979 -11.760
  213   2HD2  ASN  36          2HD2      ASN  36 -11.246   1.997 -13.464
  214    H    SER  37           H        SER  37 -10.718  -3.851  -9.865
  215    HA   SER  37           HA       SER  37  -9.166  -5.009  -8.618
  216   1HB   SER  37          2HB       SER  37  -7.665  -6.336  -9.893
  217   2HB   SER  37          1HB       SER  37  -9.049  -6.029 -10.950
  218    HG   SER  37           HG       SER  37  -7.179  -5.553 -12.088
  219    H    TYR  38           H        TYR  38  -8.457  -3.264  -7.249
  220    HA   TYR  38           HA       TYR  38  -6.078  -1.767  -8.126
  221   1HB   TYR  38          2HB       TYR  38  -8.205  -1.097  -6.536
  222   2HB   TYR  38          1HB       TYR  38  -6.960  -1.343  -5.333
  223    HD1  TYR  38           1HD      TYR  38  -8.383   1.010  -7.495
  224    HD2  TYR  38           2HD      TYR  38  -4.577  -0.360  -6.060
  225    HE1  TYR  38           1HE      TYR  38  -7.363   3.177  -8.120
  226    HE2  TYR  38           2HE      TYR  38  -3.566   1.822  -6.663
  227    HH   TYR  38           HH       TYR  38  -4.604   3.857  -8.688
  228    HA   PRO  39           HA       PRO  39  -4.249  -4.138  -4.431
  229   1HB   PRO  39          2HB       PRO  39  -5.507  -6.433  -3.643
  230   2HB   PRO  39          1HB       PRO  39  -5.789  -4.843  -2.937
  231   1HG   PRO  39          2HG       PRO  39  -7.526  -6.398  -4.797
  232   2HG   PRO  39          1HG       PRO  39  -7.991  -5.181  -3.597
  233   1HD   PRO  39          2HD       PRO  39  -7.752  -4.812  -6.381
  234   2HD   PRO  39          1HD       PRO  39  -7.949  -3.512  -5.184
  235    H    HIS  40           H        HIS  40  -2.630  -4.797  -5.606
  236    HA   HIS  40           HA       HIS  40  -2.782  -7.364  -7.141
  237   1HB   HIS  40          2HB       HIS  40  -0.847  -5.986  -8.552
  238   2HB   HIS  40          1HB       HIS  40  -2.556  -6.013  -8.995
  239    HD1  HIS  40           1HD      HIS  40  -1.022  -4.154  -6.114
  240    HD2  HIS  40           2HD      HIS  40  -2.921  -3.344  -9.726
  241    HE1  HIS  40           1HE      HIS  40  -1.620  -1.714  -6.060
  242    HE2  HIS  40           2HE      HIS  40  -2.430  -1.156  -8.389
  243    H    LYS  41           H        LYS  41  -0.174  -7.800  -7.755
  244    HA   LYS  41           HA       LYS  41   1.074  -7.898  -5.062
  245   1HB   LYS  41          2HB       LYS  41   2.230  -9.829  -5.733
  246   2HB   LYS  41          1HB       LYS  41   0.627 -10.010  -6.437
  247   1HG   LYS  41          2HG       LYS  41   1.596 -10.311  -8.387
  248   2HG   LYS  41          1HG       LYS  41   1.972  -8.613  -8.439
  249   1HD   LYS  41          2HD       LYS  41   4.158  -9.065  -8.318
  250   2HD   LYS  41          1HD       LYS  41   3.955  -9.885  -6.771
  251   1HE   LYS  41          2HE       LYS  41   4.032 -11.938  -7.699
  252   2HE   LYS  41          1HE       LYS  41   3.053 -11.485  -9.098
  253   1HZ   LYS  41          1HZ       LYS  41   5.131 -11.891  -9.980
  254   2HZ   LYS  41          2HZ       LYS  41   5.945 -11.166  -8.698
  255   3HZ   LYS  41          3HZ       LYS  41   5.144 -10.204  -9.839
  256    H    TYR  42           H        TYR  42   3.152  -7.063  -4.716
  257    HA   TYR  42           HA       TYR  42   4.272  -5.409  -6.933
  258   1HB   TYR  42          2HB       TYR  42   3.737  -4.090  -4.973
  259   2HB   TYR  42          1HB       TYR  42   4.556  -5.210  -3.925
  260    HD1  TYR  42           1HD      TYR  42   5.161  -3.004  -6.881
  261    HD2  TYR  42           2HD      TYR  42   6.796  -4.861  -3.379
  262    HE1  TYR  42           1HE      TYR  42   7.262  -1.767  -7.214
  263    HE2  TYR  42           2HE      TYR  42   8.904  -3.605  -3.704
  264    HH   TYR  42           HH       TYR  42   9.814  -2.171  -6.490
  265    H    ASN  43           H        ASN  43   6.680  -5.391  -7.106
  266    HA   ASN  43           HA       ASN  43   7.823  -8.021  -6.267
  267   1HB   ASN  43          2HB       ASN  43   7.762  -6.668  -8.799
  268   2HB   ASN  43          1HB       ASN  43   9.442  -6.729  -8.285
  269   1HD2  ASN  43          1HD2      ASN  43   6.698  -8.699  -9.201
  270   2HD2  ASN  43          2HD2      ASN  43   7.619 -10.155  -9.321
  271    H    ASN  44           H        ASN  44   9.591  -5.120  -7.337
  272    HA   ASN  44           HA       ASN  44  10.429  -3.889  -5.084
  273   1HB   ASN  44          2HB       ASN  44  12.533  -5.234  -4.438
  274   2HB   ASN  44          1HB       ASN  44  10.990  -5.820  -3.834
  275   1HD2  ASN  44          1HD2      ASN  44  10.815  -8.032  -4.103
  276   2HD2  ASN  44          2HD2      ASN  44  11.487  -8.912  -5.429
  277    H    TYR  45           H        TYR  45  11.909  -2.342  -5.712
  278    HA   TYR  45           HA       TYR  45  13.939  -3.019  -7.738
  279   1HB   TYR  45          2HB       TYR  45  11.683  -1.032  -8.237
  280   2HB   TYR  45          1HB       TYR  45  13.184  -1.026  -9.179
  281    HD1  TYR  45           1HD      TYR  45   9.998  -1.886  -9.629
  282    HD2  TYR  45           2HD      TYR  45  13.841  -3.808  -9.561
  283    HE1  TYR  45           1HE      TYR  45   9.129  -3.684 -11.101
  284    HE2  TYR  45           2HE      TYR  45  12.975  -5.605 -11.017
  285    HH   TYR  45           HH       TYR  45  10.069  -6.430 -11.437
  286    H    GLU  46           H        GLU  46  12.435  -0.057  -6.416
  287    HA   GLU  46           HA       GLU  46  14.620   1.564  -6.267
  288   1HB   GLU  46          2HB       GLU  46  12.086   1.521  -5.101
  289   2HB   GLU  46          1HB       GLU  46  13.145   1.498  -3.690
  290   1HG   GLU  46          2HG       GLU  46  14.080   3.397  -5.711
  291   2HG   GLU  46          1HG       GLU  46  12.427   3.700  -5.191
  292    H    GLY  47           H        GLY  47  13.738  -0.791  -3.740
  293   1HA   GLY  47          2HA       GLY  47  15.885  -2.155  -3.096
  294   2HA   GLY  47          1HA       GLY  47  16.493  -0.575  -2.595
  295    H    PHE  48           H        PHE  48  15.024   0.646  -1.037
  296    HA   PHE  48           HA       PHE  48  13.869   0.730   0.973
  297   1HB   PHE  48          2HB       PHE  48  12.765  -2.018   0.205
  298   2HB   PHE  48          1HB       PHE  48  12.130  -0.876   1.370
  299    HD1  PHE  48           1HD      PHE  48  12.444  -1.638  -2.185
  300    HD2  PHE  48           2HD      PHE  48  11.110   1.251   0.702
  301    HE1  PHE  48           1HE      PHE  48  11.180  -0.458  -3.955
  302    HE2  PHE  48           2HE      PHE  48   9.815   2.388  -1.072
  303    HZ   PHE  48           HZ       PHE  48   9.858   1.563  -3.393
  304    H    ASP  49           H        ASP  49  14.037  -0.211   3.178
  305    HA   ASP  49           HA       ASP  49  16.396  -2.060   3.293
  306   1HB   ASP  49          2HB       ASP  49  16.953  -1.067   5.383
  307   2HB   ASP  49          1HB       ASP  49  16.548   0.279   4.309
  308    H    PHE  50           H        PHE  50  13.481  -2.884   3.041
  309    HA   PHE  50           HA       PHE  50  13.388  -4.495   5.569
  310   1HB   PHE  50          2HB       PHE  50  10.910  -4.441   5.388
  311   2HB   PHE  50          1HB       PHE  50  11.584  -2.821   5.574
  312    HD1  PHE  50           1HD      PHE  50  10.897  -1.153   4.112
  313    HD2  PHE  50           2HD      PHE  50  10.638  -5.250   2.857
  314    HE1  PHE  50           1HE      PHE  50   9.801  -0.455   1.998
  315    HE2  PHE  50           2HE      PHE  50   9.580  -4.560   0.754
  316    HZ   PHE  50           HZ       PHE  50   9.144  -2.157   0.321
  317    H    SER  51           H        SER  51  11.567  -6.355   5.004
  318    HA   SER  51           HA       SER  51  11.708  -7.404   2.315
  319   1HB   SER  51          2HB       SER  51  13.076  -9.517   3.537
  320   2HB   SER  51          1HB       SER  51  13.785  -8.300   2.484
  321    HG   SER  51           HG       SER  51  13.762  -8.384   5.295
  322    H    VAL  52           H        VAL  52   9.498  -7.029   3.770
  323    HA   VAL  52           HA       VAL  52   8.586  -8.834   5.637
  324    HB   VAL  52           HB       VAL  52   7.190  -7.721   3.223
  325   1HG1  VAL  52          1HG1      VAL  52   6.126  -9.540   5.348
  326   2HG1  VAL  52          2HG1      VAL  52   5.914  -9.659   3.604
  327   3HG1  VAL  52          3HG1      VAL  52   5.065  -8.416   4.505
  328   1HG2  VAL  52          1HG2      VAL  52   6.064  -6.319   4.913
  329   2HG2  VAL  52          2HG2      VAL  52   7.820  -6.133   4.987
  330   3HG2  VAL  52          3HG2      VAL  52   6.988  -7.129   6.176
  331    H    SER  53           H        SER  53   8.067  -9.438   2.124
  332    HA   SER  53           HA       SER  53   9.063 -12.157   2.353
  333   1HB   SER  53          2HB       SER  53   6.334 -11.711   3.061
  334   2HB   SER  53          1HB       SER  53   6.335 -12.526   1.506
  335    HG   SER  53           HG       SER  53   7.405 -13.392   3.934
  336    H    SER  54           H        SER  54   8.027 -13.367   0.188
  337    HA   SER  54           HA       SER  54   9.087 -11.757  -2.005
  338   1HB   SER  54          2HB       SER  54   7.652 -14.186  -2.843
  339   2HB   SER  54          1HB       SER  54   9.332 -13.726  -3.007
  340    HG   SER  54           HG       SER  54   9.200 -15.509  -1.660
  341    HA   PRO  55           HA       PRO  55   4.608 -12.043  -3.661
  342   1HB   PRO  55          2HB       PRO  55   2.682 -13.019  -1.970
  343   2HB   PRO  55          1HB       PRO  55   3.619 -14.013  -3.082
  344   1HG   PRO  55          2HG       PRO  55   3.914 -13.749  -0.122
  345   2HG   PRO  55          1HG       PRO  55   4.253 -15.136  -1.150
  346   1HD   PRO  55          2HD       PRO  55   6.144 -13.390  -0.118
  347   2HD   PRO  55          1HD       PRO  55   6.406 -14.514  -1.438
  348    H    TYR  56           H        TYR  56   5.055  -9.798  -3.315
  349    HA   TYR  56           HA       TYR  56   3.979  -8.514  -0.888
  350   1HB   TYR  56          2HB       TYR  56   5.585  -7.659  -3.275
  351   2HB   TYR  56          1HB       TYR  56   4.680  -6.422  -2.417
  352    HD1  TYR  56           1HD      TYR  56   4.837  -6.619   0.231
  353    HD2  TYR  56           2HD      TYR  56   7.759  -8.050  -2.549
  354    HE1  TYR  56           1HE      TYR  56   6.568  -6.478   1.979
  355    HE2  TYR  56           2HE      TYR  56   9.503  -7.903  -0.790
  356    HH   TYR  56           HH       TYR  56   8.976  -6.276   2.197
  357    H    TYR  57           H        TYR  57   2.679  -6.364  -1.469
  358    HA   TYR  57           HA       TYR  57   0.856  -6.688  -3.717
  359   1HB   TYR  57          2HB       TYR  57  -0.086  -6.982  -0.870
  360   2HB   TYR  57          1HB       TYR  57  -1.194  -6.734  -2.245
  361    HD1  TYR  57           1HD      TYR  57  -1.605  -8.518  -3.825
  362    HD2  TYR  57           2HD      TYR  57   1.179  -9.026  -0.603
  363    HE1  TYR  57           1HE      TYR  57  -1.534 -10.950  -4.272
  364    HE2  TYR  57           2HE      TYR  57   1.224 -11.472  -1.030
  365    HH   TYR  57           HH       TYR  57   0.547 -12.930  -3.562
  366    H    GLU  58           H        GLU  58   0.242  -4.701  -4.419
  367    HA   GLU  58           HA       GLU  58   0.865  -2.411  -2.600
  368   1HB   GLU  58          2HB       GLU  58   0.156  -1.455  -5.192
  369   2HB   GLU  58          1HB       GLU  58   1.713  -1.435  -4.386
  370   1HG   GLU  58          2HG       GLU  58   1.899  -3.917  -5.216
  371   2HG   GLU  58          1HG       GLU  58   0.656  -3.439  -6.343
  372    H    TRP  59           H        TRP  59  -0.690  -1.025  -1.944
  373    HA   TRP  59           HA       TRP  59  -3.344  -1.011  -3.177
  374   1HB   TRP  59          2HB       TRP  59  -3.804  -2.826  -1.733
  375   2HB   TRP  59          1HB       TRP  59  -2.818  -2.156  -0.425
  376    HD1  TRP  59           HD       TRP  59  -3.925  -0.516   1.208
  377    HE1  TRP  59           1HE      TRP  59  -6.323   0.344   1.542
  378    HE3  TRP  59           3HE      TRP  59  -6.060  -2.211  -3.116
  379    HZ2  TRP  59           2HZ      TRP  59  -8.819   0.300   0.127
  380    HZ3  TRP  59           3HZ      TRP  59  -8.438  -1.798  -3.564
  381    HH2  TRP  59           HH       TRP  59  -9.836  -0.541  -1.981
  382    HA   PRO  60           HA       PRO  60  -2.615   3.165  -1.837
  383   1HB   PRO  60          2HB       PRO  60  -5.127   4.167  -2.341
  384   2HB   PRO  60          1HB       PRO  60  -3.904   3.858  -3.571
  385   1HG   PRO  60          2HG       PRO  60  -6.300   2.220  -2.869
  386   2HG   PRO  60          1HG       PRO  60  -5.570   2.451  -4.454
  387   1HD   PRO  60          2HD       PRO  60  -5.267   0.228  -2.843
  388   2HD   PRO  60          1HD       PRO  60  -4.155   0.654  -4.104
  389    H    ILE  61           H        ILE  61  -2.741   4.240   0.061
  390    HA   ILE  61           HA       ILE  61  -4.717   3.262   2.093
  391    HB   ILE  61           HB       ILE  61  -2.651   2.762   3.017
  392   1HG1  ILE  61          2HG1      ILE  61  -2.215   4.342   4.780
  393   2HG1  ILE  61          1HG1      ILE  61  -2.850   5.668   3.847
  394   1HG2  ILE  61          1HG2      ILE  61  -1.215   3.589   1.281
  395   2HG2  ILE  61          2HG2      ILE  61  -0.658   4.306   2.777
  396   3HG2  ILE  61          3HG2      ILE  61  -1.620   5.263   1.651
  397   1HD1  ILE  61          1HD1      ILE  61  -4.840   5.295   4.750
  398   2HD1  ILE  61          2HD1      ILE  61  -4.228   3.921   5.598
  399   3HD1  ILE  61          3HD1      ILE  61  -4.915   3.721   4.019
  400    H    LEU  62           H        LEU  62  -6.144   4.773   2.915
  401    HA   LEU  62           HA       LEU  62  -5.539   7.672   2.446
  402   1HB   LEU  62          2HB       LEU  62  -8.400   6.873   2.384
  403   2HB   LEU  62          1HB       LEU  62  -7.518   8.026   1.374
  404    HG   LEU  62           HG       LEU  62  -7.352   5.000   1.070
  405   1HD1  LEU  62          1HD1      LEU  62  -8.605   5.431  -1.012
  406   2HD1  LEU  62          2HD1      LEU  62  -8.857   7.094  -0.509
  407   3HD1  LEU  62          3HD1      LEU  62  -9.550   5.770   0.432
  408   1HD2  LEU  62          1HD2      LEU  62  -6.542   6.530  -1.214
  409   2HD2  LEU  62          2HD2      LEU  62  -5.595   5.413  -0.268
  410   3HD2  LEU  62          3HD2      LEU  62  -5.637   7.124   0.164
  411    H    SER  63           H        SER  63  -6.671   9.095   3.973
  412    HA   SER  63           HA       SER  63  -7.446   7.679   6.509
  413   1HB   SER  63          2HB       SER  63  -6.423   9.510   7.753
  414   2HB   SER  63          1HB       SER  63  -5.220   8.819   6.669
  415    HG   SER  63           HG       SER  63  -6.536  11.290   6.538
  416    H    SER  64           H        SER  64  -9.055   8.709   4.211
  417    HA   SER  64           HA       SER  64 -10.989  10.233   5.828
  418   1HB   SER  64          2HB       SER  64  -9.255  11.479   3.803
  419   2HB   SER  64          1HB       SER  64 -10.969  11.729   3.463
  420    HG   SER  64           HG       SER  64 -11.222  12.742   5.380
  421    H    GLY  65           H        GLY  65 -10.140   8.800   2.671
  422   1HA   GLY  65          2HA       GLY  65 -12.991   8.500   1.964
  423   2HA   GLY  65          1HA       GLY  65 -11.602   8.032   0.988
  424    H    ASP  66           H        ASP  66 -10.662   6.761   3.777
  425    HA   ASP  66           HA       ASP  66 -10.553   4.565   4.499
  426   1HB   ASP  66          2HB       ASP  66 -12.678   5.341   5.542
  427   2HB   ASP  66          1HB       ASP  66 -13.572   4.776   4.126
  428    H    VAL  67           H        VAL  67  -9.524   3.443   2.803
  429    HA   VAL  67           HA       VAL  67  -9.422   1.749   1.225
  430    HB   VAL  67           HB       VAL  67 -12.447   1.792   0.968
  431   1HG1  VAL  67          1HG1      VAL  67 -12.171  -0.493   0.374
  432   2HG1  VAL  67          2HG1      VAL  67 -10.485  -0.493   0.846
  433   3HG1  VAL  67          3HG1      VAL  67 -11.001   0.414  -0.572
  434   1HG2  VAL  67          1HG2      VAL  67 -11.861  -0.181   2.805
  435   2HG2  VAL  67          2HG2      VAL  67 -12.549   1.376   3.178
  436   3HG2  VAL  67          3HG2      VAL  67 -10.809   1.120   3.341
  437    H    TYR  68           H        TYR  68  -9.037   2.003  -0.985
  438    HA   TYR  68           HA       TYR  68  -9.886   4.505  -2.213
  439   1HB   TYR  68          2HB       TYR  68  -7.604   3.623  -2.540
  440   2HB   TYR  68          1HB       TYR  68  -8.267   2.204  -3.377
  441    HD1  TYR  68           1HD      TYR  68  -7.422   5.739  -3.636
  442    HD2  TYR  68           2HD      TYR  68  -9.492   2.484  -5.529
  443    HE1  TYR  68           1HE      TYR  68  -7.487   7.016  -5.762
  444    HE2  TYR  68           2HE      TYR  68  -9.563   3.760  -7.650
  445    HH   TYR  68           HH       TYR  68  -8.170   5.664  -8.737
  446    H    SER  69           H        SER  69 -11.124   4.670  -4.126
  447    HA   SER  69           HA       SER  69 -12.339   2.340  -5.380
  448   1HB   SER  69          2HB       SER  69 -13.608   2.716  -3.130
  449   2HB   SER  69          1HB       SER  69 -14.311   4.126  -3.927
  450    HG   SER  69           HG       SER  69 -14.564   1.393  -4.578
  451    H    GLY  70           H        GLY  70 -12.600   5.850  -4.775
  452   1HA   GLY  70          2HA       GLY  70 -12.535   6.338  -7.682
  453   2HA   GLY  70          1HA       GLY  70 -14.045   6.786  -6.883
  454    H    GLY  71           H        GLY  71 -11.252   8.107  -7.920
  455   1HA   GLY  71          2HA       GLY  71 -11.460  10.630  -6.964
  456   2HA   GLY  71          1HA       GLY  71 -10.720   9.841  -5.570
  457    H    SER  72           H        SER  72  -8.697  10.854  -5.717
  458    HA   SER  72           HA       SER  72  -7.203  10.483  -8.272
  459   1HB   SER  72          2HB       SER  72  -7.514  12.758  -6.903
  460   2HB   SER  72          1HB       SER  72  -6.060  12.168  -6.098
  461    HG   SER  72           HG       SER  72  -6.468  12.805  -8.812
  462    HA   PRO  73           HA       PRO  73  -5.133   7.316  -5.724
  463   1HB   PRO  73          2HB       PRO  73  -4.086   5.985  -7.878
  464   2HB   PRO  73          1HB       PRO  73  -5.736   5.770  -7.286
  465   1HG   PRO  73          2HG       PRO  73  -4.789   7.248  -9.710
  466   2HG   PRO  73          1HG       PRO  73  -6.326   6.413  -9.446
  467   1HD   PRO  73          2HD       PRO  73  -5.907   9.200  -9.287
  468   2HD   PRO  73          1HD       PRO  73  -7.320   8.324  -8.680
  469    H    GLY  74           H        GLY  74  -2.698   6.409  -6.133
  470   1HA   GLY  74          2HA       GLY  74  -0.426   6.956  -6.641
  471   2HA   GLY  74          1HA       GLY  74  -0.905   8.589  -7.097
  472    H    ALA  75           H        ALA  75   1.098   8.905  -5.555
  473    HA   ALA  75           HA       ALA  75   1.795   9.883  -3.563
  474   1HB   ALA  75          1HB       ALA  75   0.207  10.895  -2.196
  475   2HB   ALA  75          2HB       ALA  75  -1.003   9.637  -2.439
  476   3HB   ALA  75          3HB       ALA  75  -0.648  10.786  -3.725
  477    H    ASP  76           H        ASP  76   0.420   9.151  -0.942
  478    HA   ASP  76           HA       ASP  76   2.052   7.166  -0.016
  479   1HB   ASP  76          2HB       ASP  76  -0.829   7.760   0.736
  480   2HB   ASP  76          1HB       ASP  76   0.198   6.668   1.676
  481    H    ARG  77           H        ARG  77   1.875   4.911   0.328
  482    HA   ARG  77           HA       ARG  77  -0.281   3.331  -0.817
  483   1HB   ARG  77          2HB       ARG  77   0.954   3.915  -2.896
  484   2HB   ARG  77          1HB       ARG  77   2.431   3.268  -2.201
  485   1HG   ARG  77          2HG       ARG  77   1.908   1.211  -2.860
  486   2HG   ARG  77          1HG       ARG  77   0.424   1.242  -1.909
  487   1HD   ARG  77          2HD       ARG  77  -0.578   1.028  -3.909
  488   2HD   ARG  77          1HD       ARG  77  -0.360   2.778  -4.017
  489    HE   ARG  77           HE       ARG  77   1.619   0.858  -4.955
  490   1HH1  ARG  77          1HH2      ARG  77  -0.282  -0.013  -6.448
  491   2HH1  ARG  77          2HH2      ARG  77  -0.506   0.984  -7.835
  492   1HH2  ARG  77          1HH1      ARG  77   1.218   3.667  -6.496
  493   2HH2  ARG  77          2HH1      ARG  77   0.359   3.079  -7.876
  494    H    VAL  78           H        VAL  78  -0.369   1.861   0.845
  495    HA   VAL  78           HA       VAL  78   2.139   1.077   2.212
  496    HB   VAL  78           HB       VAL  78   0.146   1.698   3.552
  497   1HG1  VAL  78          1HG1      VAL  78  -1.812   0.388   3.554
  498   2HG1  VAL  78          2HG1      VAL  78  -1.076  -0.918   2.644
  499   3HG1  VAL  78          3HG1      VAL  78  -1.473   0.598   1.847
  500   1HG2  VAL  78          1HG2      VAL  78   1.902   0.122   4.374
  501   2HG2  VAL  78          2HG2      VAL  78   0.892  -1.232   3.864
  502   3HG2  VAL  78          3HG2      VAL  78   0.322  -0.101   5.092
  503    H    VAL  79           H        VAL  79   3.148  -0.829   1.835
  504    HA   VAL  79           HA       VAL  79   1.808  -2.799   0.042
  505    HB   VAL  79           HB       VAL  79   4.689  -2.384   0.850
  506   1HG1  VAL  79          1HG1      VAL  79   5.183  -4.253  -0.731
  507   2HG1  VAL  79          2HG1      VAL  79   3.463  -4.571  -0.851
  508   3HG1  VAL  79          3HG1      VAL  79   4.301  -4.791   0.670
  509   1HG2  VAL  79          1HG2      VAL  79   5.011  -1.915  -1.512
  510   2HG2  VAL  79          2HG2      VAL  79   3.739  -0.874  -0.859
  511   3HG2  VAL  79          3HG2      VAL  79   3.313  -2.270  -1.842
  512    H    PHE  80           H        PHE  80   2.245  -5.132   0.585
  513    HA   PHE  80           HA       PHE  80   2.809  -5.794   3.345
  514   1HB   PHE  80          2HB       PHE  80   0.482  -6.489   3.872
  515   2HB   PHE  80          1HB       PHE  80   0.588  -4.768   3.552
  516    HD1  PHE  80           1HD      PHE  80   0.235  -4.044   1.009
  517    HD2  PHE  80           2HD      PHE  80  -1.161  -7.701   2.767
  518    HE1  PHE  80           1HE      PHE  80  -1.404  -4.263  -0.800
  519    HE2  PHE  80           2HE      PHE  80  -2.832  -7.915   0.952
  520    HZ   PHE  80           HZ       PHE  80  -2.961  -6.194  -0.830
  521    H    ASN  81           H        ASN  81   1.596  -8.225   3.567
  522    HA   ASN  81           HA       ASN  81   2.269  -9.649   1.021
  523   1HB   ASN  81          2HB       ASN  81   3.836  -9.705   3.273
  524   2HB   ASN  81          1HB       ASN  81   2.847 -11.125   3.530
  525   1HD2  ASN  81          1HD2      ASN  81   5.266  -9.673   1.437
  526   2HD2  ASN  81          2HD2      ASN  81   5.517 -11.076   0.466
  527    H    GLU  82           H        GLU  82   0.557  -9.806   4.112
  528    HA   GLU  82           HA       GLU  82  -1.848 -10.653   3.152
  529   1HB   GLU  82          2HB       GLU  82  -1.735 -13.189   3.674
  530   2HB   GLU  82          1HB       GLU  82  -0.997 -12.648   2.174
  531   1HG   GLU  82          2HG       GLU  82   1.213 -12.461   3.568
  532   2HG   GLU  82          1HG       GLU  82   0.334 -13.383   4.774
  533    H    ASN  83           H        ASN  83   0.582 -10.922   5.626
  534    HA   ASN  83           HA       ASN  83  -1.503 -11.275   7.696
  535   1HB   ASN  83          2HB       ASN  83   1.232 -12.166   7.416
  536   2HB   ASN  83          1HB       ASN  83   1.145 -11.133   8.839
  537   1HD2  ASN  83          1HD2      ASN  83  -1.624 -11.764   9.547
  538   2HD2  ASN  83          2HD2      ASN  83  -1.598 -13.405  10.058
  539    H    ASN  84           H        ASN  84  -1.009  -8.776   6.120
  540    HA   ASN  84           HA       ASN  84  -0.728  -6.528   6.444
  541   1HB   ASN  84          2HB       ASN  84  -1.914  -5.631   8.317
  542   2HB   ASN  84          1HB       ASN  84  -2.731  -7.148   7.926
  543   1HD2  ASN  84          1HD2      ASN  84  -3.206  -8.288   9.776
  544   2HD2  ASN  84          2HD2      ASN  84  -2.205  -8.331  11.184
  545    H    GLN  85           H        GLN  85   1.560  -8.304   7.121
  546    HA   GLN  85           HA       GLN  85   2.952  -7.418   9.429
  547   1HB   GLN  85          2HB       GLN  85   4.525  -7.877   6.900
  548   2HB   GLN  85          1HB       GLN  85   4.820  -8.461   8.547
  549   1HG   GLN  85          2HG       GLN  85   2.620  -9.849   8.143
  550   2HG   GLN  85          1HG       GLN  85   2.992  -9.554   6.433
  551   1HE2  GLN  85          1HE2      GLN  85   4.381 -11.029   5.519
  552   2HE2  GLN  85          2HE2      GLN  85   5.452 -12.044   6.419
  553    H    LEU  86           H        LEU  86   2.582  -6.047   6.194
  554    HA   LEU  86           HA       LEU  86   2.692  -3.838   5.580
  555   1HB   LEU  86          2HB       LEU  86   2.536  -3.479   8.256
  556   2HB   LEU  86          1HB       LEU  86   4.208  -2.950   8.032
  557    HG   LEU  86           HG       LEU  86   2.873  -0.996   7.794
  558   1HD1  LEU  86          1HD1      LEU  86   4.631  -1.456   6.009
  559   2HD1  LEU  86          2HD1      LEU  86   3.403  -0.284   5.610
  560   3HD1  LEU  86          3HD1      LEU  86   3.300  -1.901   4.929
  561   1HD2  LEU  86          1HD2      LEU  86   0.845  -0.880   6.673
  562   2HD2  LEU  86          2HD2      LEU  86   0.774  -2.487   7.355
  563   3HD2  LEU  86          3HD2      LEU  86   1.197  -2.283   5.660
  564    H    ALA  87           H        ALA  87   4.143  -3.946   3.940
  565    HA   ALA  87           HA       ALA  87   6.980  -4.507   4.358
  566   1HB   ALA  87          1HB       ALA  87   5.462  -4.951   2.253
  567   2HB   ALA  87          2HB       ALA  87   7.166  -4.511   2.054
  568   3HB   ALA  87          3HB       ALA  87   5.922  -3.311   1.845
  569    H    GLY  88           H        GLY  88   4.962  -1.694   3.830
  570   1HA   GLY  88          2HA       GLY  88   6.284   0.223   5.182
  571   2HA   GLY  88          1HA       GLY  88   7.308   0.099   3.748
  572    H    VAL  89           H        VAL  89   5.644   2.380   4.574
  573    HA   VAL  89           HA       VAL  89   3.431   2.384   2.605
  574    HB   VAL  89           HB       VAL  89   4.405   4.476   4.543
  575   1HG1  VAL  89          1HG1      VAL  89   2.139   4.456   2.548
  576   2HG1  VAL  89          2HG1      VAL  89   3.382   5.686   2.774
  577   3HG1  VAL  89          3HG1      VAL  89   2.116   5.496   3.971
  578   1HG2  VAL  89          1HG2      VAL  89   2.218   3.899   5.663
  579   2HG2  VAL  89          2HG2      VAL  89   3.360   2.562   5.629
  580   3HG2  VAL  89          3HG2      VAL  89   2.031   2.601   4.512
  581    H    ILE  90           H        ILE  90   4.659   2.254   0.658
  582    HA   ILE  90           HA       ILE  90   6.686   4.278   0.047
  583    HB   ILE  90           HB       ILE  90   6.665   3.271  -2.184
  584   1HG1  ILE  90          2HG1      ILE  90   4.121   2.041  -1.156
  585   2HG1  ILE  90          1HG1      ILE  90   4.467   2.687  -2.739
  586   1HG2  ILE  90          1HG2      ILE  90   6.518   1.109  -0.083
  587   2HG2  ILE  90          2HG2      ILE  90   7.862   2.235  -0.221
  588   3HG2  ILE  90          3HG2      ILE  90   7.521   1.128  -1.539
  589   1HD1  ILE  90          1HD1      ILE  90   5.431   0.085  -1.595
  590   2HD1  ILE  90          2HD1      ILE  90   5.945   0.693  -3.133
  591   3HD1  ILE  90          3HD1      ILE  90   4.259   0.292  -2.874
  592    H    THR  91           H        THR  91   6.382   5.896  -1.710
  593    HA   THR  91           HA       THR  91   3.521   6.723  -1.926
  594    HB   THR  91           HB       THR  91   4.827   8.215  -0.546
  595    HG1  THR  91           1HG      THR  91   3.367   9.434  -1.550
  596   1HG2  THR  91          1HG2      THR  91   7.047   7.860  -1.414
  597   2HG2  THR  91          2HG2      THR  91   6.650   9.561  -1.592
  598   3HG2  THR  91          3HG2      THR  91   6.581   8.503  -2.989
  599    H    HIS  92           H        HIS  92   3.140   8.163  -3.877
  600    HA   HIS  92           HA       HIS  92   4.717   7.225  -6.194
  601   1HB   HIS  92          2HB       HIS  92   1.849   7.104  -5.634
  602   2HB   HIS  92          1HB       HIS  92   2.158   7.899  -7.177
  603    HD1  HIS  92           1HD      HIS  92   1.631   6.107  -8.814
  604    HD2  HIS  92           2HD      HIS  92   4.061   4.728  -5.716
  605    HE1  HIS  92           1HE      HIS  92   2.277   3.741  -9.414
  606    HE2  HIS  92           2HE      HIS  92   4.113   3.254  -7.829
  607    H    THR  93           H        THR  93   5.897   9.298  -5.507
  608    HA   THR  93           HA       THR  93   5.239  11.380  -7.368
  609    HB   THR  93           HB       THR  93   4.373  11.800  -4.492
  610    HG1  THR  93           1HG      THR  93   2.470  12.274  -5.459
  611   1HG2  THR  93          1HG2      THR  93   5.293  13.856  -6.507
  612   2HG2  THR  93          2HG2      THR  93   5.671  13.735  -4.784
  613   3HG2  THR  93          3HG2      THR  93   4.068  14.235  -5.300
  614    H    GLY  94           H        GLY  94   6.990  10.398  -4.442
  615   1HA   GLY  94          2HA       GLY  94   9.001  12.521  -4.769
  616   2HA   GLY  94          1HA       GLY  94   9.001  11.239  -3.562
  617    H    ALA  95           H        ALA  95   8.481  10.133  -6.787
  618    HA   ALA  95           HA       ALA  95  11.343   9.727  -7.330
  619   1HB   ALA  95          1HB       ALA  95  10.864   7.194  -7.568
  620   2HB   ALA  95          2HB       ALA  95   9.448   7.500  -6.554
  621   3HB   ALA  95          3HB       ALA  95  11.062   7.864  -5.960
  622    H    SER  96           H        SER  96  11.505  10.093  -9.517
  623    HA   SER  96           HA       SER  96  10.734  10.439 -11.717
  624   1HB   SER  96          2HB       SER  96   9.478   7.724 -11.716
  625   2HB   SER  96          1HB       SER  96  10.736   8.399 -12.763
  626    HG   SER  96           HG       SER  96  11.449   6.730 -11.287
  627    H    GLY  97           H        GLY  97   8.464   9.139 -12.985
  628   1HA   GLY  97          2HA       GLY  97   6.419  10.947 -12.718
  629   2HA   GLY  97          1HA       GLY  97   6.119   9.251 -13.110
  630    H    ASN  98           H        ASN  98   6.447   7.814 -10.977
  631    HA   ASN  98           HA       ASN  98   5.671   9.051  -8.472
  632   1HB   ASN  98          2HB       ASN  98   3.461   7.323  -8.890
  633   2HB   ASN  98          1HB       ASN  98   3.420   9.046  -8.736
  634   1HD2  ASN  98          1HD2      ASN  98   4.370   6.708 -11.278
  635   2HD2  ASN  98          2HD2      ASN  98   3.499   7.547 -12.513
  636    H    ASN  99           H        ASN  99   7.658   7.137  -9.506
  637    HA   ASN  99           HA       ASN  99   7.114   4.461  -8.987
  638   1HB   ASN  99          2HB       ASN  99   9.418   5.938  -9.450
  639   2HB   ASN  99          1HB       ASN  99   9.689   5.362  -7.803
  640   1HD2  ASN  99          1HD2      ASN  99  10.020   3.108  -7.491
  641   2HD2  ASN  99          2HD2      ASN  99  10.154   2.016  -8.822
  642    H    PHE 100           H        PHE 100   8.048   3.284  -6.892
  643    HA   PHE 100           HA       PHE 100   6.684   4.565  -4.583
  644   1HB   PHE 100          2HB       PHE 100   7.592   1.780  -4.194
  645   2HB   PHE 100          1HB       PHE 100   6.052   2.563  -3.946
  646    HD1  PHE 100           1HD      PHE 100   8.160   1.037  -6.539
  647    HD2  PHE 100           2HD      PHE 100   4.252   2.446  -5.446
  648    HE1  PHE 100           1HE      PHE 100   7.211  -0.006  -8.580
  649    HE2  PHE 100           2HE      PHE 100   3.300   1.380  -7.485
  650    HZ   PHE 100           HZ       PHE 100   4.785   0.178  -9.055
  651    H    VAL 101           H        VAL 101   7.775   4.923  -2.648
  652    HA   VAL 101           HA       VAL 101  10.527   3.977  -2.284
  653    HB   VAL 101           HB       VAL 101  11.560   6.149  -2.182
  654   1HG1  VAL 101          1HG1      VAL 101   9.872   6.138  -4.713
  655   2HG1  VAL 101          2HG1      VAL 101  11.239   5.050  -4.447
  656   3HG1  VAL 101          3HG1      VAL 101  11.491   6.767  -4.467
  657   1HG2  VAL 101          1HG2      VAL 101  10.140   8.164  -2.896
  658   2HG2  VAL 101          2HG2      VAL 101   9.850   7.540  -1.283
  659   3HG2  VAL 101          3HG2      VAL 101   8.731   7.152  -2.592
  660    H    GLU 102           H        GLU 102  10.949   3.839  -0.091
  661    HA   GLU 102           HA       GLU 102   8.920   3.999   1.818
  662   1HB   GLU 102          2HB       GLU 102  10.865   4.290   3.515
  663   2HB   GLU 102          1HB       GLU 102  10.862   2.865   2.490
  664   1HG   GLU 102          2HG       GLU 102  12.840   3.388   1.633
  665   2HG   GLU 102          1HG       GLU 102  12.223   4.919   1.014
  666    H    CYS 103           H        CYS 103   7.691   5.899   1.737
  667    HA   CYS 103           HA       CYS 103   8.583   8.520   1.480
  668   1HB   CYS 103          2HB       CYS 103   6.153   7.227   2.337
  669   2HB   CYS 103          1HB       CYS 103   6.490   8.526   3.487
  670    H    THR 104           H        THR 104   9.847   9.836   2.726
  671    HA   THR 104           HA       THR 104  10.117   9.176   5.645
  672    HB   THR 104           HB       THR 104  12.158   8.343   4.740
  673    HG1  THR 104           1HG      THR 104  12.748   9.664   6.392
  674   1HG2  THR 104          1HG2      THR 104  11.993   9.109   2.472
  675   2HG2  THR 104          2HG2      THR 104  13.499   9.735   3.130
  676   3HG2  THR 104          3HG2      THR 104  12.109  10.801   2.964