*HEADER    UNKNOWN FUNCTION                        04-APR-05   1Z9V              
*TITLE     SOLUTION STRUCTURE OF MTH0776 FROM METHANOBACTERIUM                   
*TITLE    2 THERMOAUTOTROPHICUM (STRAIN H)                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CONSERVED HYPOTHETICAL PROTEIN MTH0776;                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: METHANOBACTERIUM THERMOAUTOTROPHICUM;           
*SOURCE   3 ORGANISM_COMMON: ARCHAEA;                                            
*SOURCE   4 STRAIN: DELTA H;                                                     
*SOURCE   5 GENE: MTH776;                                                        
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    SOLUTION STRUCTURE, ARCHAEABACTERIUM                                  
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    G.AMEGBEY, P.STOTHARD, A.IAKOUNINE, A.YEE, C.H.ARROWSMITH,            
*AUTHOR   2 D.S.WISHART                                                          
*REVDAT   1   22-NOV-05 1Z9V    0                                                


set message=on echo=on end
!Intra-residue noes
assign (resid  2  and  name HN   )(resid  2  and  name HA    ) 3.0 1.2 1.5
assign (resid  2  and  name HN   )(resid  2  and  name HB#   ) 4.0 2.2 1.0
assign (resid  3  and  name HN   )(resid  3  and  name HA    ) 4.0 2.2 1.0
assign (resid  4  and  name HN   )(resid  4  and  name HA    ) 3.0 1.2 1.5
assign (resid  4  and  name HN   )(resid  4  and  name HB#   ) 4.0 2.2 1.5
assign (resid  5  and  name HN   )(resid  5  and  name HB#   ) 4.0 2.2 1.5
assign (resid  6  and  name HN   )(resid  6  and  name HA    ) 4.0 2.2 1.0
assign (resid  7  and  name HN   )(resid  7  and  name HA    ) 4.0 2.2 1.0
assign (resid  7  and  name HN   )(resid  7  and  name HB#   ) 4.0 2.2 1.0
assign (resid  8  and  name HN   )(resid  8  and  name HA    ) 4.0 2.2 1.0
assign (resid  9  and  name HN   )(resid  9  and  name HA    ) 4.0 2.2 1.0
assign (resid  9  and  name HN   )(resid  9  and  name HB#   ) 4.0 2.2 1.0
assign (resid  11  and  name HN  )(resid  11  and  name HB#  ) 4.0 2.2 1.5
assign (resid  12  and  name HN  )(resid  12  and  name HB#  ) 4.0 2.2 1.5
assign (resid  12  and  name HN  )(resid  12  and  name HA   ) 4.0 2.2 1.0
assign (resid  13  and  name HN  )(resid  13  and  name HA   ) 4.0 2.2 1.0
assign (resid  13  and  name HN  )(resid  13  and  name HB#  ) 4.0 2.2 1.5
assign (resid  14  and  name HN  )(resid  14  and  name HA#  ) 4.0 2.2 1.5
assign (resid  15  and  name HN  )(resid  15  and  name HA   ) 4.0 2.2 1.5
assign (resid  16  and  name HN  )(resid  16  and  name HA   ) 4.0 2.2 1.5
assign (resid  17  and  name HN  )(resid  17  and  name HB#  ) 4.0 2.2 1.5
assign (resid  18  and  name HN  )(resid  18  and  name HA   ) 4.0 2.2 1.0
assign (resid  19  and  name HN  )(resid  19  and  name HA   ) 4.0 2.2 1.0
assign (resid  22  and  name HN  )(resid  22  and  name HA   ) 4.0 2.2 1.0
assign (resid  22  and  name HN  )(resid  22  and  name HA   ) 4.0 2.2 1.0
assign (resid  22  and  name HN  )(resid  22  and  name HB#  ) 4.0 2.2 1.0
assign (resid  23  and  name HN  )(resid  23  and  name HA   ) 4.0 2.2 2.0
assign (resid  24  and  name HN  )(resid  24  and  name HA#  ) 4.0 2.2 2.0
assign (resid  25  and  name HN  )(resid  25  and  name HA   ) 4.0 2.2 1.0
assign (resid  25  and  name HN  )(resid  25  and  name HB#  ) 4.0 2.2 1.5
assign (resid  26  and  name HN  )(resid  26  and  name HA   ) 4.0 2.2 1.0
assign (resid  27  and  name HN  )(resid  27  and  name HA   ) 4.0 2.2 1.5
assign (resid  27  and  name HN  )(resid  27  and  name HB#  ) 4.0 2.2 1.5
assign (resid  28  and  name HN  )(resid  28  and  name HB#  ) 4.0 2.2 1.5
assign (resid  28  and  name HN  )(resid  28  and  name HA   ) 4.0 2.2 1.5
assign (resid  29  and  name HN  )(resid  29  and  name HA   ) 4.0 2.2 1.5
assign (resid  30  and  name HN  )(resid  30  and  name HB#  ) 4.0 2.2 1.5
assign (resid  31  and  name HN  )(resid  31  and  name HG#  ) 4.0 2.2 1.5
assign (resid  31  and  name HN  )(resid  31  and  name HB#  ) 4.0 2.2 1.5
assign (resid  31  and  name HN  )(resid  31  and  name HA   ) 4.0 2.2 1.5
assign (resid  32  and  name HN  )(resid  32  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  33  and  name HN  )(resid  33  and  name HA   ) 4.0 2.2 1.5
assign (resid  33  and  name HN  )(resid  33  and  name HB#  ) 4.0 2.2 1.5
assign (resid  34  and  name HN  )(resid  34  and  name HA   ) 3.0 1.2 2.5
assign (resid  34  and  name HN  )(resid  34  and  name HB#  ) 4.0 2.2 1.5
assign (resid  34  and  name HN  )(resid  34  and  name HE#  ) 4.0 2.2 1.5
assign (resid  34  and  name HN  )(resid  34  and  name HG#  ) 4.0 2.2 1.5
assign (resid  35  and  name HN  )(resid  35  and  name HA   ) 3.0 1.2 2.5
assign (resid  35  and  name HN  )(resid  35  and  name HG#  ) 4.0 2.2 1.5
assign (resid  36  and  name HN  )(resid  36  and  name HA   ) 3.0 1.2 2.5
assign (resid  36  and  name HN  )(resid  36  and  name HB#  ) 4.0 2.2 1.5
assign (resid  37  and  name HN  )(resid  37  and  name HA   ) 4.0 2.2 1.0
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 HB#  ) 4.0 2.2 1.0
assign (resid  39  and  name HN  )(resid  39  and  name HA   ) 4.0 2.2 1.5
assign (resid  39  and  name HN  )(resid  39  and  name HG1# ) 4.0 2.2 2.0
assign (resid  40  and  name HN  )(resid  40  and  name HA   ) 4.0 2.2 1.5
assign (resid  40  and  name HN  )(resid  40  and  name HB   ) 4.0 2.2 2.0
assign (resid  40  and  name HN  )(resid  40  and  name HG#  ) 4.0 2.2 2.0
assign (resid  41  and  name HN  )(resid  40  and  name HB#  ) 4.0 2.2 2.0
assign (resid  42  and  name HN  )(resid  42  and  name HG1# ) 4.0 2.2 2.0
assign (resid  43  and  name HN  )(resid  43  and  name HA   ) 4.0 2.2 2.0
assign (resid  43  and  name HN  )(resid  43  and  name HB#  ) 4.0 2.2 2.0
assign (resid  43  and  name HN  )(resid  43  and  name HG#  ) 4.0 2.2 2.5
assign (resid  43  and  name HN  )(resid  43  and  name HD#  ) 4.0 2.2 2.5
assign (resid  45  and  name HN  )(resid  45  and  name HA#  ) 4.0 2.2 2.5
assign (resid  46  and  name HN  )(resid  46  and  name HB#  ) 4.0 2.2 1.5
assign (resid  46  and  name HN  )(resid  46  and  name HG#  ) 4.0 2.2 1.5
assign (resid  46  and  name HN  )(resid  46  and  name HA   ) 3.0 1.2 2.0
assign (resid  47  and  name HN  )(resid  47  and  name HA   ) 3.0 1.2 1.5
assign (resid  47  and  name HN  )(resid  47  and  name HB#  ) 4.0 2.2 1.5
assign (resid  48  and  name HN  )(resid  48  and  name HA   ) 3.0 1.2 2.5
assign (resid  48  and  name HN  )(resid  48  and  name HB#  ) 3.0 1.2 2.5
assign (resid  48  and  name HN  )(resid  48  and  name HG2# ) 3.0 1.2 2.5
assign (resid  49  and  name HN  )(resid  49  and  name HA   ) 3.0 1.2 2.0
assign (resid  50  and  name HN  )(resid  50  and  name HA#  ) 3.0 1.2 2.5
assign (resid  51  and  name HN  )(resid  51  and  name HA   ) 3.0 1.2 1.5
assign (resid  51  and  name HN  )(resid  51  and  name HB#  ) 3.0 1.2 0.5
assign (resid  52  and  name HN  )(resid  52  and  name HA   ) 4.0 1.2 1.0
assign (resid  52  and  name HN  )(resid  52  and  name HB#  ) 3.0 1.2 0.5
assign (resid  53  and  name HN  )(resid  53  and  name HB   ) 4.0 2.2 1.5
assign (resid  53  and  name HN  )(resid  53  and  name HG2# ) 4.0 2.2 1.5
assign (resid  54  and  name HN  )(resid  54  and  name HA   ) 4.0 1.2 1.0
assign (resid  54  and  name HN  )(resid  54  and  name HB   ) 3.0 1.2 0.5
assign (resid  55  and  name HN  )(resid  55  and  name HA#  ) 3.0 1.2 1.5
assign (resid  56  and  name HN  )(resid  56  and  name HA   ) 3.0 1.2 1.9
assign (resid  59  and  name HN  )(resid  59  and  name HA   ) 3.0 1.2 1.5
assign (resid  62  and  name HN  )(resid  62  and  name HA#  ) 3.0 1.2 2.5
assign (resid  63  and  name HN  )(resid  63  and  name HB   ) 3.0 1.2 2.5
assign (resid  64  and  name HN  )(resid  64  and  name HB#  ) 3.0 1.2 2.5
assign (resid  65  and  name HN  )(resid  65  and  name HB#  ) 4.0 2.2 1.5
assign (resid  65  and  name HN  )(resid  65  and  name HG#  ) 4.0 2.2 1.5
assign (resid  66  and  name HN  )(resid  66  and  name HA   ) 3.0 1.2 1.5
assign (resid  68  and  name HN  )(resid  68  and  name HA   ) 3.0 1.2 2.0
assign (resid  68  and  name HN  )(resid  68  and  name HB#  ) 4.0 2.2 1.5
assign (resid  69  and  name HN  )(resid  69  and  name HA   ) 3.0 1.2 1.5
assign (resid  69  and  name HN  )(resid  69  and  name HB   ) 4.0 2.2 1.5
assign (resid  69  and  name HN  )(resid  69  and  name HG2# ) 4.0 2.2 1.5
assign (resid  70  and  name HN  )(resid  70  and  name HA   ) 3.0 1.2 2.5
assign (resid  70  and  name HN  )(resid  70  and  name HB   ) 4.0 2.2 1.0
assign (resid  71  and  name HN  )(resid  71  and  name HA   ) 4.0 2.2 1.0
assign (resid  72  and  name HN  )(resid  72  and  name HA   ) 4.0 2.2 1.0
assign (resid  74  and  name HN  )(resid  74  and  name HA   ) 3.0 1.2 1.5
assign (resid  74  and  name HN  )(resid  74  and  name HB#  ) 3.0 1.2 2.0
assign (resid  75  and  name HN  )(resid  75  and  name HG2# ) 4.0 2.2 1.5
assign (resid  75  and  name HN  )(resid  75  and  name HB   ) 4.0 2.2 1.0
assign (resid  76  and  name HN  )(resid  76  and  name HA   ) 3.0 1.2 2.5
assign (resid  78  and  name HN  )(resid  78  and  name HA   ) 3.0 1.2 2.0
assign (resid  78  and  name HN  )(resid  78  and  name HB#  ) 4.0 2.2 1.5
assign (resid  79  and  name HN  )(resid  79  and  name HB#  ) 4.0 2.2 1.5
assign (resid  79  and  name HN  )(resid  79  and  name HA   ) 3.0 1.2 2.5
assign (resid  80  and  name HN  )(resid  80  and  name HA#  ) 3.0 1.2 2.5
assign (resid  81  and  name HN  )(resid  81  and  name HA   ) 3.0 1.2 2.5
assign (resid  82  and  name HN  )(resid  82  and  name HA   ) 3.0 1.2 2.5
assign (resid  82  and  name HN  )(resid  82  and  name HB#  ) 4.0 2.2 1.5
assign (resid  83  and  name HN  )(resid  83  and  name HG2# ) 4.0 2.2 1.5
assign (resid  83  and  name HN  )(resid  83  and  name HG1# ) 4.0 2.2 1.5
assign (resid  84  and  name HN  )(resid  84  and  name HB   ) 4.0 2.2 1.0
assign (resid  85  and  name HN  )(resid  85  and  name HA   ) 3.0 1.2 2.5
assign (resid  85  and  name HN  )(resid  85  and  name HB#  ) 4.0 2.2 1.5
assign (resid  85  and  name HN  )(resid  85  and  name HG#  ) 4.0 2.2 1.5
assign (resid  88  and  name HN  )(resid  88  and  name HA   ) 3.0 1.2 2.5
assign (resid  89  and  name HN  )(resid  89  and  name HA   ) 3.0 1.2 1.5
assign (resid  89  and  name HN  )(resid  89  and  name HB#  ) 4.0 2.2 1.5
assign (resid  91  and  name HN  )(resid  91  and  name HB#  ) 4.0 2.2 1.5
assign (resid  91  and  name HN  )(resid  91  and  name HG#  ) 4.0 2.2 1.5
assign (resid  91  and  name HN  )(resid  91  and  name HA   ) 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  93  and  name HN  )(resid  93  and  name HA   ) 3.0 1.2 2.0
assign (resid  93  and  name HN  )(resid  93  and  name HB   ) 4.0 2.2 1.0
assign (resid  94  and  name HN  )(resid  94  and  name HB#  ) 4.0 2.2 1.5
assign (resid  94  and  name HN  )(resid  94  and  name HA   ) 3.0 1.2 1.5
assign (resid  94  and  name HN  )(resid  95  and  name HB#  ) 4.0 2.2 1.5
assign (resid  95  and  name HN  )(resid  95  and  name HA   ) 3.0 1.2 2.5
assign (resid  96  and  name HN  )(resid  96  and  name HA   ) 3.0 1.2 2.5
assign (resid  97  and  name HN  )(resid  97  and  name HA   ) 3.0 1.2 2.5
assign (resid  97  and  name HN  )(resid  97  and  name HB#  ) 4.0 2.2 1.5
assign (resid  97  and  name HN  )(resid  97  and  name HG   ) 4.0 2.2 1.5
assign (resid  98  and  name HN  )(resid  99  and  name HA   ) 3.0 1.2 2.5
assign (resid  98  and  name HN  )(resid  99  and  name HB#  ) 4.0 2.2 1.5
assign (resid  99  and  name HN  )(resid  99  and  name HA   ) 3.0 1.2 1.5
assign (resid  99  and  name HN  )(resid  99  and  name HG1# ) 4.0 2.2 1.5
assign (resid  99  and  name HN  )(resid  99  and  name HG2# ) 4.0 2.2 1.5
assign (resid  100  and  name HN )(resid  100  and  name HB# ) 4.0 2.2 1.5
assign (resid  101  and  name HN )(resid  101  and  name HA  ) 3.0 1.2 2.5
!sequential noes
assign (resid  1  and  name HA   )(resid  2  and  name HN  ) 3.0 1.2 0.5
assign (resid  1  and  name HA   )(resid  2  and  name HA  ) 4.0 2.2 1.0
assign (resid  2  and  name HN   )(resid  3  and  name HN  ) 4.0 2.2 1.0
assign (resid  2  and  name HN   )(resid  3  and  name HA  ) 4.0 2.2 1.0
assign (resid  2  and  name HN   )(resid  3  and  name HB  ) 4.0 2.2 2.0
assign (resid  2  and  name HA   )(resid  3  and  name HN  ) 2.5 0.7 0.2
assign (resid  2  and  name HA   )(resid  3  and  name HA  ) 4.0 2.2 1.0
assign (resid  2  and  name HA   )(resid  3  and  name HB  ) 4.0 2.2 1.0
assign (resid  2  and  name HB#  )(resid  3  and  name HN  ) 4.0 2.2 1.0
assign (resid  2  and  name HB#  )(resid  3  and  name HA  ) 4.0 2.2 1.0
assign (resid  2  and  name HB#  )(resid  3  and  name HB  ) 4.0 2.2 2.0
assign (resid  3  and  name HN   )(resid  4  and  name HN  ) 4.0 2.2 1.0
assign (resid  3  and  name HN   )(resid  4  and  name HZ  ) 4.0 2.2 1.0
assign (resid  3  and  name HN   )(resid  4  and  name HE# ) 4.0 2.2 2.0
assign (resid  3  and  name HN   )(resid  4  and  name HA  ) 4.0 2.2 1.0
assign (resid  3  and  name HA   )(resid  4  and  name HB# ) 4.0 2.2 2.0
assign (resid  3  and  name HA   )(resid  4  and  name HN  ) 2.5 0.7 0.2
assign (resid  3  and  name HA   )(resid  4  and  name HA  ) 4.0 2.2 1.0
assign (resid  3  and  name HB   )(resid  4  and  name HN  ) 4.0 2.2 1.0
assign (resid  3  and  name HB   )(resid  4  and  name HA  ) 4.0 2.2 2.0
assign (resid  4  and  name HN   )(resid  5  and  name HB1 ) 4.0 2.2 2.0
assign (resid  4  and  name HN   )(resid  5  and  name HB2 ) 4.0 2.2 2.0
assign (resid  4  and  name HN   )(resid  5  and  name HN  ) 2.5 0.7 0.2
assign (resid  4  and  name HN   )(resid  5  and  name HA  ) 4.0 2.2 1.0
assign (resid  4  and  name HA   )(resid  5  and  name HN  ) 3.0 1.2 0.5
assign (resid  4  and  name HA   )(resid  5  and  name HA  ) 4.0 2.2 1.0
assign (resid  4  and  name HB1  )(resid  5  and  name HN  ) 4.0 2.2 1.0
assign (resid  4  and  name HB2  )(resid  5  and  name HN  ) 4.0 2.2 1.0
assign (resid  4  and  name HB1  )(resid  5  and  name HA  ) 4.0 2.2 1.0
assign (resid  4  and  name HB2  )(resid  5  and  name HA  ) 4.0 2.2 1.0
assign (resid  4  and  name HD#  )(resid  5  and  name HN  ) 4.0 2.2 2.0
assign (resid  5  and  name HN   )(resid  6  and  name HN  ) 4.0 2.2 1.0
assign (resid  5  and  name HN   )(resid  6  and  name HA  ) 4.0 2.2 1.0
assign (resid  5  and  name HA   )(resid  6  and  name HB# ) 4.0 2.2 1.0
assign (resid  5  and  name HA   )(resid  6  and  name HN  ) 3.0 1.2 0.5
assign (resid  5  and  name HA   )(resid  6  and  name HA  ) 4.0 2.2 1.0
assign (resid  5  and  name HB1  )(resid  6  and  name HN  ) 4.0 2.2 1.0
assign (resid  5  and  name HB2  )(resid  6  and  name HN  ) 4.0 2.2 1.0
assign (resid  6  and  name HN   )(resid  7  and  name HN  ) 2.5 0.7 0.2
assign (resid  6  and  name HN   )(resid  7  and  name HA  ) 4.0 2.2 1.0
assign (resid  6  and  name HN   )(resid  7  and  name HB# ) 4.0 2.2 1.0
assign (resid  6  and  name HA   )(resid  7  and  name HN  ) 4.0 2.2 1.0
assign (resid  6  and  name HA   )(resid  7  and  name HA  ) 4.0 2.2 1.0
assign (resid  6  and  name HB1  )(resid  7  and  name HN  ) 4.0 2.2 1.0
assign (resid  6  and  name HB2  )(resid  7  and  name HN  ) 4.0 2.2 1.0
assign (resid  6  and  name HB1  )(resid  7  and  name HA  ) 4.0 2.2 2.0
assign (resid  6  and  name HB2  )(resid  7  and  name HA  ) 4.0 2.2 2.0
assign (resid  6  and  name HG   )(resid  7  and  name HN  ) 4.0 2.2 2.0
assign (resid  6  and  name HG   )(resid  7  and  name HA  ) 4.0 2.2 2.0
assign (resid  7  and  name HN   )(resid  8  and  name HN  ) 2.5 0.7 0.2
assign (resid  7  and  name HN   )(resid  8  and  name HA  ) 4.0 2.2 1.0
assign (resid  7  and  name HA   )(resid  8  and  name HN  ) 3.0 1.2 0.5
assign (resid  7  and  name HA   )(resid  8  and  name HA  ) 4.0 2.2 1.0
assign (resid  7  and  name HB1  )(resid  8  and  name HN  ) 4.0 2.2 1.0
assign (resid  7  and  name HB2  )(resid  8  and  name HN  ) 4.0 2.2 1.0
assign (resid  7  and  name HB1  )(resid  8  and  name HA  ) 4.0 2.2 2.0
assign (resid  7  and  name HB2  )(resid  8  and  name HA  ) 4.0 2.2 2.0
assign (resid  7  and  name HG#  )(resid  8  and  name HN  ) 4.0 2.2 2.0
assign (resid  7  and  name HG#  )(resid  8  and  name HA  ) 4.0 2.2 2.0
assign (resid  8  and  name HN   )(resid  9  and  name HN  ) 2.5 0.7 0.2
assign (resid  8  and  name HN   )(resid  9  and  name HA  ) 4.0 2.2 1.0
assign (resid  8  and  name HN   )(resid  9  and  name HB1 ) 4.0 2.2 2.0
assign (resid  8  and  name HN   )(resid  9  and  name HB2 ) 4.0 2.2 2.0
assign (resid  8  and  name HA   )(resid  9  and  name HN  ) 3.0 1.2 0.5
assign (resid  8  and  name HA   )(resid  9  and  name HA  ) 4.0 2.2 1.0
assign (resid  8  and  name HB   )(resid  9  and  name HN  ) 4.0 2.2 1.0
assign (resid  8  and  name HB   )(resid  9  and  name HA  ) 4.0 2.2 1.0
assign (resid  9  and  name HN   )(resid  10 and  name HN  ) 2.5 0.7 0.2
assign (resid  9  and  name HN   )(resid  10 and  name HA  ) 4.0 2.2 1.0
assign (resid  9  and  name HA   )(resid  10 and  name HB# ) 4.0 2.2 2.0
assign (resid  9  and  name HA   )(resid  10 and  name HN  ) 3.0 1.2 0.5
assign (resid  9  and  name HA   )(resid  10 and  name HA  ) 4.0 2.2 1.0
assign (resid  9  and  name HB1  )(resid  10 and  name HN  ) 4.0 2.2 1.0
assign (resid  9  and  name HB2  )(resid  10 and  name HN  ) 4.0 2.2 1.0
assign (resid  9  and  name HB1  )(resid  10 and  name HA  ) 4.0 2.2 2.0
assign (resid  9  and  name HB2  )(resid  10 and  name HA  ) 4.0 2.2 2.0
assign (resid  9  and  name HD#  )(resid  10 and  name HN  ) 4.0 2.2 2.0
assign (resid  10 and  name HN   )(resid  11 and  name HN  ) 2.5 0.7 0.2
assign (resid  10 and  name HN   )(resid  11 and  name HA  ) 4.0 2.2 1.0
assign (resid  10 and  name HA   )(resid  11 and  name HN  ) 4.0 2.2 1.0
assign (resid  10 and  name HA   )(resid  11 and  name HA  ) 4.0 2.2 1.0
assign (resid  10 and  name HB1  )(resid  11 and  name HN  ) 4.0 2.2 1.0
assign (resid  10 and  name HB2  )(resid  11 and  name HN  ) 4.0 2.2 1.0
assign (resid  10 and  name HB1  )(resid  11 and  name HA  ) 4.0 2.2 2.0
assign (resid  10 and  name HB2  )(resid  11 and  name HA  ) 4.0 2.2 2.0
assign (resid  10 and  name HG   )(resid  11 and  name HN  ) 4.0 2.2 1.0
assign (resid  11 and  name HN   )(resid  12 and  name HN  ) 2.5 0.7 0.2
assign (resid  11 and  name HN   )(resid  12 and  name HA  ) 4.0 2.2 1.0
assign (resid  11 and  name HB1  )(resid  12 and  name HG# ) 4.0 2.2 1.0
assign (resid  11 and  name HB2  )(resid  12 and  name HG# ) 4.0 2.2 1.0
assign (resid  11 and  name HB#  )(resid  12 and  name HB# ) 4.0 2.2 2.0
assign (resid  12 and  name HN   )(resid  13 and  name HN  ) 2.5 0.7 0.2
assign (resid  12 and  name HN   )(resid  13 and  name HA  ) 4.0 2.2 1.0
assign (resid  12 and  name HA   )(resid  13 and  name HN  ) 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 HB#  )(resid  13 and  name HN  ) 4.0 2.2 1.0
assign (resid  13 and  name HN   )(resid  14 and  name HN  ) 4.0 2.2 1.0
assign (resid  13 and  name HN   )(resid  14 and  name HA# ) 4.0 2.2 2.0
assign (resid  13 and  name HA   )(resid  14 and  name HA# ) 4.0 2.2 2.0
assign (resid  13 and  name HA   )(resid  14 and  name HN  ) 3.0 1.2 0.5
assign (resid  13 and  name HB1  )(resid  14 and  name HN  ) 2.5 0.7 0.2
assign (resid  13 and  name HB1  )(resid  14 and  name HA# ) 4.0 2.2 1.0
assign (resid  13 and  name HB2  )(resid  14 and  name HN  ) 3.0 1.2 0.5
assign (resid  13 and  name HB2  )(resid  14 and  name HA  ) 4.0 2.2 2.0
assign (resid  14 and  name HN   )(resid  15 and  name HN  ) 4.0 2.2 1.0
assign (resid  14 and  name HN   )(resid  15 and  name HA  ) 4.0 2.2 2.0
assign (resid  14 and  name HA#  )(resid  15 and  name HN  ) 4.0 2.2 1.0
assign (resid  14 and  name HA#  )(resid  15 and  name HN  ) 4.0 2.2 1.0
assign (resid  15 and  name HN   )(resid  16 and  name HN  ) 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  15 and  name HA   )(resid  16 and  name HB1 ) 4.0 2.2 1.0
assign (resid  15 and  name HA   )(resid  16 and  name HB2 ) 4.0 2.2 1.0
assign (resid  15 and  name HA   )(resid  16 and  name HN  ) 2.5 0.7 0.2
assign (resid  15 and  name HA   )(resid  16 and  name HA  ) 4.0 2.2 1.0
assign (resid  15 and  name HB1  )(resid  16 and  name HN  ) 4.0 2.2 1.0
assign (resid  15 and  name HB1  )(resid  16 and  name HA  ) 4.0 2.2 1.0
assign (resid  15 and  name HB2  )(resid  16 and  name HN  ) 4.0 2.2 1.0
assign (resid  15 and  name HB2  )(resid  16 and  name HA  ) 4.0 2.2 2.0
assign (resid  16 and  name HN   )(resid  17 and  name HN  ) 3.0 1.2 0.5
assign (resid  16 and  name HN   )(resid  17 and  name HA  ) 4.0 2.2 1.0
assign (resid  16 and  name HA   )(resid  17 and  name HN  ) 3.0 1.2 0.5
assign (resid  16 and  name HA   )(resid  17 and  name HA  ) 4.0 2.2 1.0
assign (resid  16 and  name HB1  )(resid  17 and  name HN  ) 4.0 2.2 1.0
assign (resid  16 and  name HB1  )(resid  17 and  name HN  ) 4.0 2.2 1.0
assign (resid  16 and  name HB2  )(resid  17 and  name HN  ) 4.0 2.2 2.0
assign (resid  16 and  name HB2  )(resid  17 and  name HA  ) 4.0 2.2 2.0
assign (resid  16 and  name HD#  )(resid  17 and  name HN  ) 4.0 2.2 2.0
assign (resid  17 and  name HN   )(resid  18 and  name HN  ) 4.0 2.2 1.0
assign (resid  17 and  name HN   )(resid  18 and  name HA  ) 4.0 2.2 1.0
assign (resid  17 and  name HN   )(resid  18 and  name HB  ) 4.0 2.2 2.0
assign (resid  17 and  name HA   )(resid  18 and  name HN  ) 2.5 0.7 0.2
assign (resid  17 and  name HA   )(resid  18 and  name HA  ) 4.0 2.2 2.0
assign (resid  17 and  name HA   )(resid  18 and  name HB  ) 4.0 2.2 2.0
assign (resid  17 and  name HB1  )(resid  18 and  name HN  ) 3.0 1.2 0.5
assign (resid  17 and  name HB1  )(resid  18 and  name HA  ) 4.0 2.2 1.0
assign (resid  17 and  name HB1  )(resid  18 and  name HB  ) 4.0 2.2 1.0
assign (resid  17 and  name HB2  )(resid  18 and  name HN  ) 4.0 2.2 1.0
assign (resid  17 and  name HB2  )(resid  18 and  name HA  ) 4.0 2.2 2.0
assign (resid  17 and  name HG1  )(resid  18 and  name HN  ) 4.0 2.2 1.0
assign (resid  17 and  name HG2  )(resid  18 and  name HN  ) 4.0 2.2 1.0
assign (resid  18 and  name HN   )(resid  19 and  name HN  ) 4.0 2.2 1.0
assign (resid  18 and  name HN   )(resid  19 and  name HA  ) 4.0 2.2 2.0
assign (resid  18 and  name HA   )(resid  19 and  name HN  ) 2.5 0.7 0.2
assign (resid  18 and  name HA   )(resid  19 and  name HA  ) 4.0 2.2 1.0
assign (resid  18 and  name HB   )(resid  19 and  name HN  ) 4.0 2.2 1.0
assign (resid  19 and  name HN   )(resid  20 and  name HN  ) 3.0 1.2 0.5
assign (resid  19 and  name HN   )(resid  20 and  name HA  ) 4.0 2.2 1.0
assign (resid  19 and  name HN   )(resid  20 and  name HG# ) 4.0 2.2 2.0
assign (resid  19 and  name HA   )(resid  20 and  name HN  ) 3.0 1.2 0.5
assign (resid  19 and  name HA   )(resid  20 and  name HA  ) 4.0 2.2 1.0
assign (resid  19 and  name HB1  )(resid  20 and  name HN  ) 4.0 2.2 1.0
assign (resid  19 and  name HB2  )(resid  20 and  name HN  ) 4.0 2.2 1.0
assign (resid  20 and  name HN   )(resid  21 and  name HN  ) 4.0 2.2 1.0
assign (resid  20 and  name HN   )(resid  21 and  name HA  ) 4.0 2.2 2.0
assign (resid  20 and  name HA   )(resid  21 and  name HA  ) 4.0 2.2 1.0
assign (resid  20 and  name HA   )(resid  21 and  name HN  ) 2.5 0.7 0.8
assign (resid  20 and  name HB#  )(resid  21 and  name HN  ) 3.0 1.2 0.5
assign (resid  20 and  name HB#  )(resid  21 and  name HA  ) 4.0 2.2 2.0
assign (resid  20 and  name HG#  )(resid  21 and  name HN  ) 4.0 2.2 1.0
assign (resid  21 and  name HN   )(resid  22 and  name HN  ) 4.0 2.2 1.0
assign (resid  21 and  name HN   )(resid  22 and  name HA  ) 4.0 2.2 2.0
assign (resid  21 and  name HA   )(resid  22 and  name HN  ) 2.5 0.7 0.2
assign (resid  21 and  name HA   )(resid  22 and  name HA  ) 4.0 2.2 1.0
assign (resid  21 and  name HB#  )(resid  22 and  name HN  ) 4.0 2.2 1.0
assign (resid  21 and  name HB#  )(resid  22 and  name HA  ) 4.0 2.2 2.0
assign (resid  21 and  name HD#  )(resid  22 and  name HN  ) 4.0 2.2 2.0
assign (resid  21 and  name HG#  )(resid  22 and  name HN  ) 4.0 2.2 1.0
assign (resid  22 and  name HN   )(resid  23 and  name HN  ) 4.0 2.2 1.0
assign (resid  22 and  name HN   )(resid  23 and  name HA  ) 4.0 2.2 1.0
assign (resid  22 and  name HA   )(resid  23 and  name HN  ) 2.5 0.7 0.2
assign (resid  22 and  name HA   )(resid  23 and  name HA  ) 4.0 2.2 1.0
assign (resid  22 and  name HB1  )(resid  23 and  name HN  ) 4.0 2.2 1.0
assign (resid  22 and  name HB2  )(resid  23 and  name HN  ) 4.0 2.2 1.0
assign (resid  22 and  name HB1  )(resid  23 and  name HA  ) 4.0 2.2 2.0
assign (resid  22 and  name HB2  )(resid  23 and  name HA  ) 4.0 2.2 2.0
assign (resid  22 and  name HG#  )(resid  23 and  name HN  ) 4.0 2.2 1.0
assign (resid  22 and  name HG#  )(resid  23 and  name HA  ) 4.0 2.2 2.0
assign (resid  22 and  name HD#  )(resid  23 and  name HA  ) 4.0 2.2 2.0
assign (resid  23 and  name HN   )(resid  24 and  name HN  ) 4.0 2.2 1.0
assign (resid  23 and  name HN   )(resid  24 and  name HA# ) 4.0 2.2 1.0
assign (resid  23 and  name HA   )(resid  24 and  name HN  ) 2.5 0.7 0.2
assign (resid  23 and  name HA   )(resid  24 and  name HA# ) 4.0 2.2 1.0
assign (resid  23 and  name HB#  )(resid  24 and  name HN  ) 4.0 2.2 1.0
assign (resid  24 and  name HN   )(resid  25 and  name HN  ) 3.0 1.2 1.0
assign (resid  24 and  name HN   )(resid  25 and  name HA  ) 4.0 2.2 1.0
assign (resid  24 and  name HA#  )(resid  25 and  name HN  ) 3.0 1.2 0.5
assign (resid  24 and  name HA#  )(resid  25 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  26 and  name HA  ) 4.0 2.2 2.0
assign (resid  25 and  name HA   )(resid  26 and  name HN  ) 4.0 2.2 1.0
assign (resid  25 and  name HA   )(resid  26 and  name HA  ) 4.0 2.2 1.0
assign (resid  25 and  name HB1  )(resid  26 and  name HN  ) 3.0 1.2 0.5
assign (resid  25 and  name HB2  )(resid  26 and  name HN  ) 3.0 1.2 0.5
assign (resid  25 and  name HB1  )(resid  26 and  name HA  ) 4.0 2.2 1.0
assign (resid  25 and  name HB2  )(resid  26 and  name HA  ) 4.0 2.2 1.0
assign (resid  25 and  name HD#  )(resid  26 and  name HN  ) 4.0 2.2 2.0
assign (resid  26 and  name HN   )(resid  27 and  name HN  ) 2.5 0.7 0.2
assign (resid  26 and  name HN   )(resid  27 and  name HA  ) 4.0 2.2 1.0
assign (resid  26 and  name HN   )(resid  27 and  name HN  ) 4.0 2.2 1.0
assign (resid  26 and  name HA   )(resid  27 and  name HA  ) 4.0 2.2 2.0
assign (resid  26 and  name HA   )(resid  27 and  name HN  ) 4.0 2.2 1.0
assign (resid  26 and  name HA   )(resid  27 and  name HN  ) 4.0 2.2 1.0
assign (resid  26 and  name HB#  )(resid  27 and  name HN  ) 4.0 2.2 1.0
assign (resid  26 and  name HB#  )(resid  27 and  name HA  ) 4.0 2.2 1.0
assign (resid  26 and  name HG1  )(resid  27 and  name HN  ) 4.0 2.2 1.0
assign (resid  26 and  name HG2  )(resid  27 and  name HN  ) 4.0 2.2 1.0
assign (resid  27 and  name HN   )(resid  28 and  name HN  ) 2.5 0.7 0.2
assign (resid  27 and  name HN   )(resid  28 and  name HA  ) 4.0 2.2 1.0
assign (resid  27 and  name HA   )(resid  28 and  name HN  ) 3.0 1.2 1.5
assign (resid  27 and  name HA   )(resid  28 and  name HA  ) 4.0 2.2 1.0
assign (resid  27 and  name HB#  )(resid  28 and  name HN  ) 4.0 2.2 1.0
assign (resid  27 and  name HB#  )(resid  28 and  name HA  ) 4.0 2.2 2.0
assign (resid  27 and  name HG#  )(resid  28 and  name HN  ) 4.0 2.2 2.0
assign (resid  28 and  name HN   )(resid  29 and  name HN  ) 3.0 1.2 0.5
assign (resid  28 and  name HN   )(resid  29 and  name HA  ) 4.0 2.2 2.0
assign (resid  28 and  name HA   )(resid  29 and  name HN  ) 4.0 2.2 1.0
assign (resid  28 and  name HA   )(resid  29 and  name HA  ) 4.0 2.2 1.0
assign (resid  28 and  name HB#  )(resid  29 and  name HN  ) 4.0 2.2 1.0
assign (resid  28 and  name HB#  )(resid  29 and  name HA  ) 4.0 2.2 2.0
assign (resid  29 and  name HN   )(resid  30 and  name HN  ) 2.5 0.7 0.2
assign (resid  29 and  name HN   )(resid  30 and  name HA  ) 4.0 2.2 2.0
assign (resid  29 and  name HA   )(resid  30 and  name HN  ) 3.0 1.2 0.5
assign (resid  29 and  name HA   )(resid  30 and  name HN  ) 4.0 2.2 1.0
assign (resid  29 and  name HB#  )(resid  30 and  name HN  ) 4.0 2.2 1.0
assign (resid  29 and  name HB#  )(resid  30 and  name HA  ) 4.0 2.2 2.0
assign (resid  30 and  name HN   )(resid  31 and  name HN  ) 2.5 0.7 0.2
assign (resid  30 and  name HN   )(resid  31 and  name HA  ) 4.0 2.2 1.0
assign (resid  30 and  name HA   )(resid  31 and  name HN  ) 3.0 1.2 1.5
assign (resid  30 and  name HA   )(resid  31 and  name HA  ) 4.0 2.2 1.0
assign (resid  31 and  name HN   )(resid  32 and  name HN  ) 3.0 1.2 0.5
assign (resid  31 and  name HN   )(resid  32 and  name HA  ) 4.0 2.2 2.0
assign (resid  31 and  name HN   )(resid  32 and  name HB  ) 4.0 2.2 2.0
assign (resid  31 and  name HA   )(resid  32 and  name HN  ) 3.0 1.2 0.5
assign (resid  31 and  name HA   )(resid  32 and  name HA  ) 4.0 2.2 1.0
assign (resid  31 and  name HA   )(resid  32 and  name HB  ) 4.0 2.2 2.0
assign (resid  31 and  name HB1  )(resid  32 and  name HN  ) 4.0 2.2 1.0
assign (resid  31 and  name HB2  )(resid  32 and  name HN  ) 4.0 2.2 1.0
assign (resid  31 and  name HB1  )(resid  32 and  name HA  ) 4.0 2.2 2.0
assign (resid  31 and  name HB2  )(resid  32 and  name HA  ) 4.0 2.2 2.0
assign (resid  31 and  name HG#  )(resid  32 and  name HN  ) 4.0 2.2 1.0
assign (resid  31 and  name HG#  )(resid  32 and  name HA  ) 4.0 2.2 1.0
assign (resid  31 and  name HG#  )(resid  32 and  name HB  ) 4.0 2.2 1.0
assign (resid  32 and  name HN   )(resid  33 and  name HN  ) 2.5 0.7 0.2
assign (resid  32 and  name HN   )(resid  33 and  name HA  ) 4.0 2.2 2.0
assign (resid  32 and  name HA   )(resid  33 and  name HN  ) 4.0 2.2 1.0
assign (resid  32 and  name HA   )(resid  33 and  name HA  ) 4.0 2.2 1.0
assign (resid  32 and  name HB   )(resid  33 and  name HG# ) 4.0 2.2 1.0
assign (resid  32 and  name HB   )(resid  33 and  name HB# ) 4.0 2.2 2.0
assign (resid  32 and  name HB   )(resid  33 and  name HN  ) 3.0 1.2 0.5
assign (resid  32 and  name HB   )(resid  33 and  name HA  ) 4.0 2.2 1.0
assign (resid  33 and  name HN   )(resid  34 and  name HN  ) 2.5 0.7 0.2
assign (resid  33 and  name HN   )(resid  34 and  name HA  ) 4.0 2.2 1.0
assign (resid  33 and  name HA   )(resid  34 and  name HN  ) 3.0 1.2 0.5
assign (resid  33 and  name HA   )(resid  34 and  name HA  ) 4.0 2.2 1.0
assign (resid  33 and  name HB#  )(resid  34 and  name HN  ) 4.0 2.2 1.0
assign (resid  33 and  name HB#  )(resid  34 and  name HA  ) 4.0 2.2 1.0
assign (resid  34 and  name HN   )(resid  35 and  name HN  ) 2.5 0.7 0.2
assign (resid  34 and  name HN   )(resid  35 and  name HA  ) 4.0 2.2 1.0
assign (resid  34 and  name HA   )(resid  35 and  name HN  ) 3.0 1.2 0.5
assign (resid  34 and  name HA   )(resid  35 and  name HA  ) 4.0 2.2 2.0
assign (resid  34 and  name HB#  )(resid  35 and  name HN  ) 4.0 2.2 1.0
assign (resid  34 and  name HB#  )(resid  35 and  name HA  ) 4.0 2.2 1.0
assign (resid  34 and  name HG1  )(resid  35 and  name HN  ) 4.0 2.2 2.0
assign (resid  34 and  name HG2  )(resid  35 and  name HN  ) 4.0 2.2 2.0
assign (resid  34 and  name HD#  )(resid  35 and  name HN  ) 4.0 2.2 2.0
assign (resid  35 and  name HN   )(resid  36 and  name HN  ) 2.5 0.7 0.2
assign (resid  35 and  name HN   )(resid  36 and  name HA  ) 4.0 2.2 1.0
assign (resid  35 and  name HA   )(resid  36 and  name HN  ) 3.0 1.2 0.5
assign (resid  35 and  name HA   )(resid  36 and  name HA  ) 4.0 2.2 1.0
assign (resid  35 and  name HB1  )(resid  36 and  name HN  ) 4.0 2.2 1.0
assign (resid  35 and  name HB2  )(resid  36 and  name HN  ) 4.0 2.2 1.0
assign (resid  35 and  name HB1  )(resid  36 and  name HA  ) 4.0 2.2 2.0
assign (resid  35 and  name HB2  )(resid  36 and  name HA  ) 4.0 2.2 2.0
assign (resid  35 and  name HG#  )(resid  36 and  name HN  ) 4.0 2.2 2.0
assign (resid  35 and  name HG#  )(resid  36 and  name HN  ) 4.0 2.2 2.0
assign (resid  35 and  name HD#  )(resid  36 and  name HN  ) 4.0 2.2 2.0
assign (resid  35 and  name HD#  )(resid  36 and  name HA  ) 4.0 2.2 2.0
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assign (resid  36 and  name HN   )(resid  37 and  name HN  ) 2.5 0.7 0.2
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assign (resid  36 and  name HA   )(resid  37 and  name HN  ) 3.0 1.2 0.5
assign (resid  36 and  name HA   )(resid  37 and  name HA  ) 4.0 2.2 1.0
assign (resid  37 and  name HN   )(resid  38 and  name HN  ) 2.5 0.7 0.2
assign (resid  37 and  name HN   )(resid  38 and  name HA  ) 4.0 2.2 1.0
assign (resid  37 and  name HA   )(resid  38 and  name HN  ) 4.0 2.2 1.0
assign (resid  37 and  name HA   )(resid  38 and  name HA  ) 4.0 2.2 1.0
assign (resid  37 and  name HB#  )(resid  38 and  name HN  ) 4.0 2.2 1.0
assign (resid  37 and  name HB#  )(resid  38 and  name HA  ) 4.0 2.2 1.0
assign (resid  37 and  name HG#  )(resid  38 and  name HN  ) 4.0 2.2 1.0
assign (resid  37 and  name HG#  )(resid  38 and  name HN  ) 4.0 2.2 2.0
assign (resid  38 and  name HN   )(resid  39 and  name HN  ) 4.0 2.2 1.0
assign (resid  38 and  name HN   )(resid  39 and  name HA  ) 4.0 2.2 1.0
assign (resid  38 and  name HN   )(resid  39 and  name HB  ) 4.0 2.2 1.0
assign (resid  38 and  name HA   )(resid  39 and  name HN  ) 2.5 0.7 0.2
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assign (resid  38 and  name HA   )(resid  39 and  name HB  ) 4.0 2.2 1.0
assign (resid  38 and  name HB1  )(resid  39 and  name HN  ) 4.0 2.2 1.0
assign (resid  38 and  name HB2  )(resid  39 and  name HN  ) 4.0 2.2 1.0
assign (resid  38 and  name HB1  )(resid  39 and  name HA  ) 4.0 2.2 2.0
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assign (resid  38 and  name HG#  )(resid  39 and  name HN  ) 4.0 2.2 2.0
assign (resid  38 and  name HG#  )(resid  39 and  name HA  ) 4.0 2.2 2.0
assign (resid  38 and  name HD#  )(resid  39 and  name HN  ) 4.0 2.2 2.0
assign (resid  38 and  name HD#  )(resid  39 and  name HA  ) 4.0 2.2 2.0
assign (resid  39 and  name HN   )(resid  40 and  name HN  ) 4.0 2.2 1.0
assign (resid  39 and  name HN   )(resid  40 and  name HA  ) 4.0 2.2 1.0
assign (resid  39 and  name HN   )(resid  40 and  name HB  ) 4.0 2.2 2.0
assign (resid  39 and  name HA   )(resid  40 and  name HN  ) 2.5 0.7 0.2
assign (resid  39 and  name HA   )(resid  40 and  name HA  ) 4.0 2.2 2.0
assign (resid  39 and  name HA   )(resid  40 and  name HB  ) 4.0 2.2 2.0
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assign (resid  39 and  name HB   )(resid  40 and  name HA  ) 4.0 2.2 1.0
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assign (resid  40 and  name HN   )(resid  41 and  name HN  ) 4.0 2.2 1.0
assign (resid  40 and  name HN   )(resid  41 and  name HA  ) 4.0 2.2 1.0
assign (resid  40 and  name HA   )(resid  41 and  name HN  ) 2.5 0.7 0.2
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assign (resid  40 and  name HB   )(resid  41 and  name HN  ) 4.0 2.2 1.0
assign (resid  40 and  name HB   )(resid  41 and  name HA  ) 4.0 2.2 2.0
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assign (resid  41 and  name HN   )(resid  42 and  name HA  ) 4.0 2.2 1.0
assign (resid  41 and  name HN   )(resid  42 and  name HB  ) 4.0 2.2 2.0
assign (resid  41 and  name HA   )(resid  42 and  name HN  ) 2.5 0.7 0.2
assign (resid  41 and  name HA   )(resid  42 and  name HA  ) 4.0 2.2 1.0
assign (resid  41 and  name HA   )(resid  42 and  name HB  ) 4.0 2.2 1.0
assign (resid  42 and  name HN   )(resid  43 and  name HN  ) 4.0 2.2 1.0
assign (resid  42 and  name HA   )(resid  43 and  name HN  ) 2.5 0.7 0.2
assign (resid  42 and  name HA   )(resid  43 and  name HA  ) 4.0 2.2 1.0
assign (resid  42 and  name HB   )(resid  43 and  name HN  ) 4.0 2.2 1.0
assign (resid  43 and  name HN   )(resid  44 and  name HB# ) 4.0 2.2 2.0
assign (resid  43 and  name HN   )(resid  44 and  name HA  ) 4.0 2.2 2.0
assign (resid  43 and  name HA   )(resid  44 and  name HB# ) 4.0 2.2 2.0
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assign (resid  43 and  name HB#  )(resid  44 and  name HA  ) 4.0 2.2 1.0
assign (resid  43 and  name HG#  )(resid  44 and  name HD# ) 4.0 2.2 2.0
assign (resid  44 and  name HA   )(resid  45 and  name HN  ) 2.5 0.7 0.2
assign (resid  44 and  name HA   )(resid  45 and  name HA# ) 4.0 2.2 1.0
assign (resid  44 and  name HB#  )(resid  45 and  name HN  ) 4.0 2.2 1.0
assign (resid  44 and  name HD#  )(resid  45 and  name HN  ) 4.0 2.2 2.0
assign (resid  45 and  name HN   )(resid  46 and  name HN  ) 2.5 0.7 0.2
assign (resid  45 and  name HN   )(resid  46 and  name HA  ) 4.0 2.2 1.0
assign (resid  45 and  name HA#  )(resid  46 and  name HN  ) 3.0 1.2 0.5
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assign (resid  48 and  name HA   )(resid  49 and  name HG  ) 4.0 2.2 1.0
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assign (resid  49 and  name HN   )(resid  50 and  name HA# ) 4.0 2.2 2.0
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assign (resid  49 and  name HG   )(resid  50 and  name HN  ) 4.0 2.2 2.0
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assign (resid  51 and  name HN   )(resid  52 and  name HA  ) 4.0 2.2 1.0
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assign (resid  52 and  name HN   )(resid  53 and  name HA  ) 4.0 2.2 1.0
assign (resid  52 and  name HN   )(resid  53 and  name HB  ) 4.0 2.2 2.0
assign (resid  52 and  name HA   )(resid  53 and  name HN  ) 2.5 0.7 0.5
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assign (resid  52 and  name HA   )(resid  53 and  name HB  ) 4.0 2.2 1.0
assign (resid  52 and  name HB#  )(resid  53 and  name HN  ) 4.0 2.2 1.0
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assign (resid  52 and  name HG#  )(resid  53 and  name HN  ) 4.0 2.2 2.0
assign (resid  52 and  name HE#  )(resid  53 and  name HN  ) 4.0 2.2 2.0
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assign (resid  53 and  name HB   )(resid  54 and  name HA  ) 4.0 2.2 2.0
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assign (resid  55 and  name HA#  )(resid  56 and  name HB  ) 4.0 2.2 2.0
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assign (resid  56 and  name HA   )(resid  57 and  name HA  ) 4.0 2.2 1.0
assign (resid  56 and  name HB   )(resid  57 and  name HA  ) 4.0 2.2 2.0
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assign (resid  58 and  name HD#  )(resid  59 and  name HN  ) 4.0 2.2 2.0
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assign (resid  59 and  name HB   )(resid  60 and  name HA  ) 4.0 2.2 2.0
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assign (resid  61 and  name HN   )(resid  62 and  name HA# ) 4.0 2.2 1.0
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assign (resid  61 and  name HB   )(resid  62 and  name HN  ) 4.0 2.2 1.0
assign (resid  61 and  name HB   )(resid  62 and  name HA# ) 4.0 2.2 2.0
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assign (resid  62 and  name HN   )(resid  63 and  name HA  ) 4.0 2.2 1.0
assign (resid  62 and  name HA#  )(resid  63 and  name HN  ) 2.5 0.7 0.2
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assign (resid  62 and  name HA#  )(resid  63 and  name HB  ) 4.0 2.2 2.0
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assign (resid  63 and  name HN   )(resid  64 and  name HA  ) 4.0 2.2 1.0
assign (resid  63 and  name HA   )(resid  64 and  name HN  ) 2.5 0.7 0.2
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assign (resid  63 and  name HB   )(resid  64 and  name HN  ) 4.0 2.2 1.0
assign (resid  63 and  name HB   )(resid  64 and  name HA  ) 4.0 2.2 1.0
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assign (resid  65 and  name HB#  )(resid  66 and  name HN  ) 3.0 1.2 0.5
assign (resid  65 and  name HB#  )(resid  66 and  name HA  ) 4.0 2.2 1.0
assign (resid  65 and  name HG#  )(resid  66 and  name HN  ) 4.0 2.2 1.0
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assign (resid  66 and  name HN   )(resid  67 and  name HA  ) 4.0 2.2 1.0
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assign (resid  66 and  name HB#  )(resid  67 and  name HN  ) 3.0 1.2 0.5
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assign (resid  66 and  name HG#  )(resid  67 and  name HN  ) 3.0 1.2 0.5
assign (resid  66 and  name HG#  )(resid  67 and  name HA  ) 4.0 2.2 2.0
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assign (resid  67 and  name HA   )(resid  68 and  name HN  ) 4.0 2.2 1.0
assign (resid  67 and  name HA   )(resid  68 and  name HA  ) 4.0 2.2 1.0
assign (resid  67 and  name HB#  )(resid  68 and  name HN  ) 3.0 1.2 0.5
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assign (resid  67 and  name HG#  )(resid  68 and  name HN  ) 4.0 2.2 1.0
assign (resid  67 and  name HG#  )(resid  68 and  name HA  ) 4.0 2.2 2.0
assign (resid  67 and  name HD#  )(resid  68 and  name HN  ) 4.0 2.2 1.0
assign (resid  67 and  name HD#  )(resid  68 and  name HA  ) 4.0 2.2 1.0
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assign (resid  68 and  name HN   )(resid  69 and  name HA  ) 4.0 2.2 1.0
assign (resid  68 and  name HN   )(resid  69 and  name HB  ) 4.0 2.2 1.0
assign (resid  68 and  name HA   )(resid  69 and  name HN  ) 2.5 0.7 0.2
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assign (resid  68 and  name HA   )(resid  69 and  name HB  ) 4.0 2.2 1.0
assign (resid  68 and  name HB#  )(resid  69 and  name HN  ) 4.0 2.2 1.0
assign (resid  68 and  name HB#  )(resid  69 and  name HA  ) 4.0 2.2 2.0
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assign (resid  69 and  name HN   )(resid  70 and  name HA  ) 4.0 2.2 1.0
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assign (resid  70 and  name HB   )(resid  71 and  name HN  ) 4.0 2.2 1.0
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assign (resid  71 and  name HA   )(resid  72 and  name HB  ) 4.0 2.2 1.0
assign (resid  71 and  name HB#  )(resid  72 and  name HN  ) 4.0 2.2 1.0
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assign (resid  72 and  name HB   )(resid  73 and  name HA  ) 4.0 2.2 1.0
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assign (resid  74 and  name HN   )(resid  75 and  name HB  ) 4.0 2.2 2.0
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assign (resid  74 and  name HA   )(resid  75 and  name HB  ) 4.0 2.2 2.0
assign (resid  74 and  name HB#  )(resid  75 and  name HN  ) 4.0 2.2 1.0
assign (resid  74 and  name HB#  )(resid  75 and  name HA  ) 4.0 2.2 1.0
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assign (resid  76 and  name HN   )(resid  77 and  name HG# ) 4.0 2.2 2.0
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assign (resid  76 and  name HA   )(resid  77 and  name HG# ) 4.0 2.2 1.0
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assign (resid  77 and  name HB#  )(resid  78 and  name HA  ) 4.0 2.2 2.0
assign (resid  77 and  name HG#  )(resid  78 and  name HN  ) 4.0 2.2 1.0
assign (resid  77 and  name HD#  )(resid  78 and  name HN  ) 4.0 2.2 2.0
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assign (resid  78 and  name HB#  )(resid  79 and  name HN  ) 4.0 2.2 1.0
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assign (resid  82 and  name HB#  )(resid  83 and  name HN  ) 4.0 2.2 1.0
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assign (resid  85 and  name HA   )(resid  86 and  name HN  ) 2.5 0.7 0.2
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assign (resid  85 and  name HB#  )(resid  86 and  name HN  ) 4.0 2.2 1.0
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assign (resid  85 and  name HG#  )(resid  86 and  name HN  ) 4.0 2.2 1.0
assign (resid  85 and  name HG#  )(resid  86 and  name HA  ) 4.0 2.2 2.0
assign (resid  86 and  name HN   )(resid  87 and  name HD# ) 4.0 2.2 2.0
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assign (resid  86 and  name HA   )(resid  87 and  name HG# ) 4.0 2.2 1.0
assign (resid  86 and  name HA   )(resid  87 and  name HB# ) 4.0 2.2 2.0
assign (resid  86 and  name HA   )(resid  87 and  name HD# ) 2.5 0.7 0.2
assign (resid  86 and  name HA   )(resid  87 and  name HA  ) 4.0 2.2 1.0
assign (resid  86 and  name HB#  )(resid  87 and  name HD# ) 4.0 2.2 1.0
assign (resid  86 and  name HG   )(resid  87 and  name HG# ) 4.0 2.2 1.0
assign (resid  86 and  name HG   )(resid  87 and  name HB# ) 4.0 2.2 1.0
assign (resid  86 and  name HG   )(resid  87 and  name HA  ) 4.0 2.2 1.0
assign (resid  87 and  name HA   )(resid  88 and  name HN  ) 3.0 1.2 0.5
assign (resid  87 and  name HA   )(resid  88 and  name HA  ) 4.0 2.2 1.0
assign (resid  87 and  name HA   )(resid  88 and  name HB  ) 4.0 2.2 2.0
assign (resid  87 and  name HB#  )(resid  88 and  name HN  ) 4.0 2.2 1.0
assign (resid  87 and  name HB#  )(resid  88 and  name HA  ) 4.0 2.2 2.0
assign (resid  87 and  name HB#  )(resid  88 and  name HN  ) 4.0 2.2 1.0
assign (resid  87 and  name HD#  )(resid  88 and  name HN  ) 4.0 2.2 1.0
assign (resid  87 and  name HD#  )(resid  88 and  name HB  ) 4.0 2.2 2.0
assign (resid  88 and  name HN   )(resid  89 and  name HN  ) 4.0 2.2 1.0
assign (resid  88 and  name HN   )(resid  89 and  name HA  ) 4.0 2.2 2.0
assign (resid  88 and  name HA   )(resid  89 and  name HN  ) 2.5 0.7 0.2
assign (resid  88 and  name HA   )(resid  89 and  name HA  ) 4.0 2.2 1.0
assign (resid  88 and  name HB   )(resid  89 and  name HB# ) 4.0 2.2 2.0
assign (resid  88 and  name HB   )(resid  89 and  name HN  ) 3.0 1.2 0.5
assign (resid  88 and  name HB   )(resid  89 and  name HA  ) 4.0 2.2 1.0
assign (resid  89 and  name HN   )(resid  90 and  name HA  ) 4.0 2.2 2.0
assign (resid  89 and  name HA   )(resid  90 and  name HB# ) 4.0 2.2 2.0
assign (resid  89 and  name HA   )(resid  90 and  name HA  ) 4.0 2.2 1.0
assign (resid  89 and  name HB#  )(resid  90 and  name HD# ) 4.0 2.2 1.0
assign (resid  89 and  name HB#  )(resid  90 and  name HA  ) 4.0 2.2 1.0
assign (resid  90 and  name HA   )(resid  91 and  name HN  ) 4.0 2.2 1.0
assign (resid  90 and  name HA   )(resid  91 and  name HA  ) 4.0 2.2 2.0
assign (resid  90 and  name HB#  )(resid  91 and  name HN  ) 4.0 2.2 1.0
assign (resid  90 and  name HG#  )(resid  91 and  name HN  ) 4.0 2.2 1.0
assign (resid  90 and  name HG#  )(resid  91 and  name HA  ) 4.0 2.2 2.0
assign (resid  90 and  name HD#  )(resid  91 and  name HN  ) 4.0 2.2 1.0
assign (resid  91 and  name HN   )(resid  92 and  name HN  ) 2.5 0.7 0.2
assign (resid  91 and  name HN   )(resid  92 and  name HA  ) 4.0 2.2 2.0
assign (resid  91 and  name HA   )(resid  92 and  name HN  ) 3.0 1.2 0.5
assign (resid  91 and  name HA   )(resid  92 and  name HA  ) 4.0 2.2 1.0
assign (resid  91 and  name HB#  )(resid  92 and  name HN  ) 4.0 2.2 1.0
assign (resid  91 and  name HB#  )(resid  92 and  name HA  ) 4.0 2.2 2.0
assign (resid  92 and  name HN   )(resid  93 and  name HN  ) 2.5 0.7 0.2
assign (resid  92 and  name HN   )(resid  93 and  name HA  ) 4.0 2.2 2.0
assign (resid  92 and  name HN   )(resid  93 and  name HB  ) 4.0 2.2 1.0
assign (resid  92 and  name HA   )(resid  93 and  name HN  ) 3.0 1.2 0.5
assign (resid  92 and  name HA   )(resid  93 and  name HA  ) 4.0 2.2 1.0
assign (resid  92 and  name HA   )(resid  93 and  name HB  ) 4.0 2.2 2.0
assign (resid  92 and  name HB#  )(resid  93 and  name HN  ) 3.0 1.2 0.5
assign (resid  92 and  name HB#  )(resid  93 and  name HA  ) 4.0 2.2 1.0
assign (resid  92 and  name HB#  )(resid  93 and  name HB  ) 4.0 2.2 2.0
assign (resid  92 and  name HG#  )(resid  93 and  name HN  ) 4.0 2.2 2.0
assign (resid  93 and  name HN   )(resid  94 and  name HN  ) 2.5 0.7 0.2
assign (resid  93 and  name HN   )(resid  94 and  name HA  ) 4.0 2.2 2.0
assign (resid  93 and  name HA   )(resid  94 and  name HN  ) 3.5 1.2 0.5
assign (resid  93 and  name HA   )(resid  94 and  name HA  ) 4.0 2.2 1.0
assign (resid  93 and  name HB   )(resid  94 and  name HN  ) 2.5 0.7 0.2
assign (resid  93 and  name HB   )(resid  94 and  name HA  ) 4.0 2.2 1.0
assign (resid  94 and  name HN   )(resid  95 and  name HN  ) 2.5 0.7 0.2
assign (resid  94 and  name HN   )(resid  95 and  name HA  ) 4.0 2.2 2.0
assign (resid  94 and  name HA   )(resid  95 and  name HN  ) 3.0 1.2 0.5
assign (resid  94 and  name HA   )(resid  95 and  name HA  ) 4.0 2.2 1.0
assign (resid  94 and  name HB#  )(resid  95 and  name HN  ) 3.0 1.2 0.5
assign (resid  94 and  name HB#  )(resid  95 and  name HA  ) 4.0 2.2 1.0
assign (resid  94 and  name HG#  )(resid  95 and  name HN  ) 4.0 2.2 1.0
assign (resid  95 and  name HN   )(resid  96 and  name HN  ) 2.5 0.7 0.2
assign (resid  95 and  name HN   )(resid  96 and  name HA  ) 4.0 2.2 1.0
assign (resid  95 and  name HN   )(resid  96 and  name HB  ) 4.0 2.2 1.0
assign (resid  95 and  name HA   )(resid  96 and  name HN  ) 3.0 1.2 0.5
assign (resid  95 and  name HA   )(resid  96 and  name HA  ) 4.0 2.2 1.0
assign (resid  95 and  name HA   )(resid  96 and  name HB  ) 4.0 2.2 2.0
assign (resid  95 and  name HB#  )(resid  96 and  name HN  ) 3.0 1.2 0.5
assign (resid  95 and  name HB#  )(resid  96 and  name HA  ) 4.0 2.2 2.0
assign (resid  95 and  name HB#  )(resid  96 and  name HB  ) 4.0 2.2 2.0
assign (resid  95 and  name HG#  )(resid  96 and  name HN  ) 4.0 2.2 2.0
assign (resid  95 and  name HD#  )(resid  96 and  name HN  ) 4.0 2.2 2.0
assign (resid  95 and  name HD#  )(resid  96 and  name HA  ) 4.0 2.2 2.0
assign (resid  95 and  name HD#  )(resid  96 and  name HB  ) 4.0 2.2 2.0
assign (resid  96 and  name HN   )(resid  97 and  name HN  ) 2.5 0.7 0.2
assign (resid  96 and  name HN   )(resid  97 and  name HA  ) 4.0 2.2 1.0
assign (resid  96 and  name HA   )(resid  97 and  name HN  ) 3.0 1.2 0.5
assign (resid  96 and  name HA   )(resid  97 and  name HA  ) 4.0 2.2 1.0
assign (resid  96 and  name HB#  )(resid  97 and  name HN  ) 3.0 1.2 0.5
assign (resid  96 and  name HB#  )(resid  97 and  name HA  ) 4.0 2.2 1.0
assign (resid  97 and  name HN   )(resid  98 and  name HN  ) 2.5 0.7 0.2
assign (resid  97 and  name HN   )(resid  98 and  name HA  ) 4.0 2.2 2.0
assign (resid  97 and  name HA   )(resid  98 and  name HN  ) 3.0 1.2 0.5
assign (resid  97 and  name HA   )(resid  98 and  name HA  ) 4.0 2.2 1.0
assign (resid  97 and  name HB#  )(resid  98 and  name HN  ) 3.0 1.2 0.5
assign (resid  97 and  name HB#  )(resid  98 and  name HA  ) 4.0 2.2 2.0
assign (resid  97 and  name HG   )(resid  98 and  name HN  ) 4.0 2.2 1.0
assign (resid  97 and  name HG   )(resid  98 and  name HA  ) 4.0 2.2 1.0
assign (resid  98 and  name HN   )(resid  99 and  name HN  ) 2.5 0.7 0.2
assign (resid  98 and  name HN   )(resid  99 and  name HA  ) 4.0 2.2 1.0
assign (resid  98 and  name HN   )(resid  99 and  name HB  ) 4.0 2.2 1.0
assign (resid  98 and  name HA   )(resid  99 and  name HN  ) 3.0 1.2 0.5
assign (resid  98 and  name HA   )(resid  99 and  name HA  ) 4.0 2.2 1.0
assign (resid  98 and  name HA   )(resid  99 and  name HB  ) 4.0 2.2 2.0
assign (resid  98 and  name HB#  )(resid  99 and  name HN  ) 4.0 2.2 1.0
assign (resid  98 and  name HG#  )(resid  99 and  name HA  ) 4.0 2.2 1.0
assign (resid  98 and  name HB#  )(resid  99 and  name HB  ) 4.0 2.2 1.0
assign (resid  98 and  name HG   )(resid  99 and  name HN  ) 4.0 2.2 1.0
assign (resid  99 and  name HN   )(resid  100 and  name HN ) 2.5 0.7 0.2
assign (resid  99 and  name HN   )(resid  100 and  name HA ) 4.0 2.2 1.0
assign (resid  99 and  name HA   )(resid  100 and  name HN ) 4.0 2.2 2.0
assign (resid  99 and  name HA   )(resid  100 and  name HA ) 4.0 2.2 1.0
assign (resid  99 and  name HB   )(resid  100 and  name HN ) 4.0 2.2 1.0
assign (resid  99 and  name HB   )(resid  100 and  name HA ) 4.0 2.2 1.0
assign (resid  100 and  name HN  )(resid  101 and  name HN ) 3.0 1.2 0.5
assign (resid  100 and  name HN  )(resid  101 and  name HA ) 4.0 2.2 2.0
assign (resid  100 and  name HA  )(resid  101 and  name HN ) 3.0 1.2 0.5
assign (resid  100 and  name HA  )(resid  101 and  name HA ) 4.0 2.2 1.0
assign (resid  101 and  name HN  )(resid  102 and  name HA ) 4.0 2.2 1.0
assign (resid  101 and  name HA  )(resid  102 and  name HA ) 4.0 2.2 1.0
assign (resid  101 and  name HN  )(resid  102 and  name HG#) 4.0 2.2 1.0
assign (resid  101 and  name HA  )(resid  102 and  name HB#) 4.0 2.2 2.0
!medium range noes
assign (resid  2 and  name HA    )(resid  4 and  name HZ   ) 4.0 2.2 1.0
assign (resid  2 and  name HB#   )(resid  4 and  name HN   ) 4.0 2.2 2.0
assign (resid  2 and  name HB#   )(resid  4 and  name HE#  ) 4.0 2.2 1.0
assign (resid  2 and  name HB#   )(resid  4 and  name HZ   ) 4.0 2.2 1.0
assign (resid  3 and  name HN    )(resid  5 and  name HN   ) 4.0 2.2 2.0
assign (resid  3 and  name HA    )(resid  5 and  name HN   ) 4.0 2.2 1.0
assign (resid  3 and  name HB    )(resid  5 and  name HN   ) 4.0 2.2 1.0
assign (resid  4 and  name HA    )(resid  6 and  name HN   ) 4.0 2.2 1.0
assign (resid  4 and  name HA    )(resid  6 and  name HA   ) 4.0 2.2 2.0
assign (resid  4 and  name HB    )(resid  6 and  name HN   ) 4.0 2.2 2.0
assign (resid  5 and  name HN    )(resid  8 and  name HN   ) 4.0 2.2 2.0
assign (resid  5 and  name HA    )(resid  7 and  name HN   ) 4.0 2.2 1.0
assign (resid  5 and  name HA    )(resid  8 and  name HN   ) 4.0 2.2 1.0
assign (resid  5 and  name HA    )(resid  8 and  name HB   ) 4.0 2.2 2.0
assign (resid  5 and  name HA    )(resid  9 and  name HN   ) 4.0 2.2 2.0
assign (resid  5 and  name HB#   )(resid  8 and  name HN   ) 4.0 2.2 1.0
assign (resid  5 and  name HB#   )(resid  8 and  name HA   ) 4.0 2.2 2.0
assign (resid  5 and  name HB#   )(resid  8 and  name HB   ) 4.0 2.2 2.0
assign (resid  6 and  name HN    )(resid  8 and  name HN   ) 4.0 2.2 1.0
assign (resid  6 and  name HN    )(resid  9 and  name HN   ) 4.0 2.2 2.0
assign (resid  6 and  name HA    )(resid  8 and  name HN   ) 4.0 2.2 1.0
assign (resid  6 and  name HA    )(resid  9 and  name HB#  ) 4.0 2.2 2.0
assign (resid  6 and  name HA    )(resid  9 and  name HN   ) 4.0 2.2 1.0
assign (resid  6 and  name HB1   )(resid  8 and  name HN   ) 4.0 2.2 2.0
assign (resid  6 and  name HB2   )(resid  8 and  name HN   ) 4.0 2.2 2.0
assign (resid  7 and  name HN    )(resid  9 and  name HN   ) 4.0 2.2 1.0
assign (resid  7 and  name HA    )(resid  9 and  name HB1  ) 4.0 2.2 2.0
assign (resid  7 and  name HA    )(resid  9 and  name HB2  ) 4.0 2.2 2.0
assign (resid  7 and  name HA    )(resid  10 and  name HN  ) 4.0 2.2 1.0
assign (resid  7 and  name HA    )(resid  10 and  name HB# ) 4.0 2.2 1.0
assign (resid  7 and  name HA    )(resid  10 and  name HA  ) 4.0 2.2 2.0
assign (resid  7 and  name HA    )(resid  11 and  name HN  ) 4.0 2.2 2.0
assign (resid  7 and  name HB1   )(resid  9 and  name HN   ) 4.0 2.2 2.0
assign (resid  7 and  name HB2   )(resid  9 and  name HN   ) 4.0 2.2 2.0
assign (resid  7 and  name HG#   )(resid  10 and  name HB1 ) 4.0 2.2 1.0
assign (resid  7 and  name HG#   )(resid  10 and  name HB2 ) 4.0 2.2 1.0
assign (resid  7 and  name HG#   )(resid  10 and  name HN  ) 4.0 2.2 2.0
assign (resid  8 and  name HN    )(resid  10 and  name HB1 ) 4.0 2.2 2.0
assign (resid  8 and  name HN    )(resid  10 and  name HB2 ) 4.0 2.2 2.0
assign (resid  8 and  name HN    )(resid  10 and  name HN  ) 4.0 2.2 1.0
assign (resid  8 and  name HN    )(resid  11 and  name HN  ) 4.0 2.2 2.0
assign (resid  8 and  name HA    )(resid  10 and  name HB1 ) 4.0 2.2 2.0
assign (resid  8 and  name HA    )(resid  10 and  name HB2 ) 4.0 2.2 2.0
assign (resid  8 and  name HA    )(resid  10 and  name HN  ) 4.0 2.2 1.0
assign (resid  8 and  name HA    )(resid  11 and  name HN  ) 4.0 2.2 1.0
assign (resid  8 and  name HA    )(resid  12 and  name HN  ) 4.0 2.2 2.0
assign (resid  8 and  name HB    )(resid  10 and  name HN  ) 4.0 2.2 2.0
assign (resid  8 and  name HB    )(resid  11 and  name HN  ) 4.0 2.2 2.0
assign (resid  8 and  name HB    )(resid  11 and  name HB# ) 4.0 2.2 2.0
assign (resid  9 and  name HN    )(resid  11 and  name HN  ) 4.0 2.2 1.0
assign (resid  9 and  name HN    )(resid  12 and  name HN  ) 4.0 2.2 2.0
assign (resid  9 and  name HA    )(resid  11 and  name HN  ) 4.0 2.2 1.0
assign (resid  9 and  name HA    )(resid  12 and  name HN  ) 4.0 2.2 1.0
assign (resid  9 and  name HA    )(resid  12 and  name HA  ) 4.0 2.2 2.0
assign (resid  9 and  name HA    )(resid  13 and  name HN  ) 4.0 2.2 1.0
assign (resid  9 and  name HB1   )(resid  11 and  name HN  ) 4.0 2.2 2.0
assign (resid  9 and  name HB2   )(resid  11 and  name HN  ) 4.0 2.2 2.0
assign (resid  9 and  name HB1   )(resid  12 and  name HN  ) 4.0 2.2 2.0
assign (resid  9 and  name HB2   )(resid  12 and  name HN  ) 4.0 2.2 2.0
assign (resid  9 and  name HB1   )(resid  15 and  name HA  ) 4.0 2.2 1.0
assign (resid  9 and  name HB2   )(resid  15 and  name HA  ) 4.0 2.2 1.0
assign (resid  9 and  name HB1   )(resid  16 and  name HN  ) 4.0 2.2 1.0
assign (resid  9 and  name HB2   )(resid  16 and  name HN  ) 4.0 2.2 1.0
assign (resid  10 and  name HN   )(resid  12 and  name HN  ) 4.0 2.2 1.0
assign (resid  10 and  name HN   )(resid  13 and  name HN  ) 4.0 2.2 1.0
assign (resid  10 and  name HN   )(resid  15 and  name HN  ) 4.0 2.2 2.0
assign (resid  10 and  name HN   )(resid  15 and  name HA  ) 4.0 2.2 1.0
assign (resid  10 and  name HA   )(resid  12 and  name HN  ) 4.0 2.2 1.0
assign (resid  10 and  name HA   )(resid  12 and  name HN  ) 4.0 2.2 1.0
assign (resid  10 and  name HA   )(resid  14 and  name HN  ) 4.0 2.2 1.0
assign (resid  10 and  name HG   )(resid  15 and  name HN  ) 4.0 2.2 1.0
assign (resid  11 and  name HN   )(resid  13 and  name HN  ) 4.0 2.2 1.0
assign (resid  11 and  name HB#  )(resid  13 and  name HN  ) 4.0 2.2 2.0
assign (resid  13 and  name HN   )(resid  15 and  name HA  ) 4.0 2.2 2.0
assign (resid  13 and  name HB2  )(resid  15 and  name HA  ) 4.0 2.2 2.0
assign (resid  15 and  name HN   )(resid  17 and  name HN  ) 4.0 2.2 1.0
assign (resid  15 and  name HB1  )(resid  17 and  name HN  ) 4.0 2.2 1.0
assign (resid  15 and  name HB2  )(resid  17 and  name HN  ) 4.0 2.2 1.0
assign (resid  18 and  name HN   )(resid  20 and  name HN  ) 4.0 2.2 1.0
assign (resid  18 and  name HN   )(resid  20 and  name HG# ) 4.0 2.2 2.0
assign (resid  18 and  name HN   )(resid  22 and  name HB# ) 4.0 2.2 2.0
assign (resid  18 and  name HN   )(resid  20 and  name HB# ) 4.0 2.2 1.0
assign (resid  18 and  name HA   )(resid  20 and  name HB# ) 4.0 2.2 2.0
assign (resid  18 and  name HA   )(resid  20 and  name HN  ) 4.0 2.2 1.0
assign (resid  18 and  name HB   )(resid  20 and  name HG# ) 4.0 2.2 1.0
assign (resid  18 and  name HB   )(resid  20 and  name HB# ) 4.0 2.2 2.0
assign (resid  18 and  name HB   )(resid  20 and  name HN  ) 4.0 2.2 1.0
assign (resid  20 and  name HB#  )(resid  22 and  name HA  ) 4.0 2.2 2.0
assign (resid  22 and  name HG#  )(resid  24 and  name HN  ) 4.0 2.2 2.0
assign (resid  23 and  name HA   )(resid  25 and  name HN  ) 4.0 2.2 1.0
assign (resid  23 and  name HA   )(resid  25 and  name HZ  ) 4.0 2.2 2.0
assign (resid  23 and  name HB#  )(resid  25 and  name HZ  ) 4.0 2.2 1.0
assign (resid  24 and  name HA#  )(resid  27 and  name HA  ) 4.0 2.2 2.0
assign (resid  24 and  name HA#  )(resid  28 and  name HB# ) 4.0 2.2 2.0
assign (resid  24 and  name HA#  )(resid  28 and  name HN  ) 4.0 2.2 1.0
assign (resid  24 and  name HA#  )(resid  28 and  name HA  ) 4.0 2.2 1.0
assign (resid  25 and  name HN   )(resid  27 and  name HN  ) 4.0 2.2 1.0
assign (resid  25 and  name HN   )(resid  28 and  name HB# ) 4.0 2.2 2.0
assign (resid  25 and  name HN   )(resid  28 and  name HN  ) 4.0 2.2 1.0
assign (resid  25 and  name HA   )(resid  27 and  name HN  ) 4.0 2.2 1.0
assign (resid  25 and  name HA   )(resid  28 and  name HB# ) 4.0 2.2 1.0
assign (resid  25 and  name HA   )(resid  28 and  name HN  ) 4.0 2.2 1.0
assign (resid  25 and  name HA   )(resid  28 and  name HA  ) 4.0 2.2 2.0
assign (resid  25 and  name HB1  )(resid  27 and  name HN  ) 4.0 2.2 2.0
assign (resid  25 and  name HB2  )(resid  27 and  name HN  ) 4.0 2.2 2.0
assign (resid  25 and  name HB1  )(resid  28 and  name HN  ) 4.0 2.2 2.0
assign (resid  25 and  name HB2  )(resid  28 and  name HN  ) 4.0 2.2 2.0
assign (resid  26 and  name HN   )(resid  28 and  name HB# ) 4.0 2.2 2.0
assign (resid  26 and  name HN   )(resid  28 and  name HN  ) 4.0 2.2 1.0
assign (resid  26 and  name HA   )(resid  28 and  name HB# ) 4.0 2.2 2.0
assign (resid  26 and  name HA   )(resid  28 and  name HN  ) 4.0 2.2 1.0
assign (resid  26 and  name HA   )(resid  29 and  name HN  ) 4.0 2.2 1.0
assign (resid  26 and  name HA   )(resid  30 and  name HN  ) 4.0 2.2 2.0
assign (resid  26 and  name HB#  )(resid  28 and  name HN  ) 4.0 2.2 1.0
assign (resid  27 and  name HN   )(resid  29 and  name HN  ) 4.0 2.2 1.0
assign (resid  27 and  name HN   )(resid  30 and  name HB# ) 4.0 2.2 2.0
assign (resid  27 and  name HN   )(resid  30 and  name HN  ) 4.0 2.2 1.0
assign (resid  27 and  name HA   )(resid  29 and  name HN  ) 4.0 2.2 1.0
assign (resid  27 and  name HA   )(resid  30 and  name HN  ) 3.0 1.2 0.5
assign (resid  27 and  name HA   )(resid  30 and  name HA  ) 4.0 2.2 1.0
assign (resid  27 and  name HA   )(resid  30 and  name HB# ) 4.0 2.2 1.0
assign (resid  27 and  name HA   )(resid  31 and  name HN  ) 4.0 2.2 1.0
assign (resid  27 and  name HB#  )(resid  30 and  name HB# ) 4.0 2.2 2.0
assign (resid  27 and  name HB#  )(resid  30 and  name HN  ) 4.0 2.2 2.0
assign (resid  27 and  name HB#  )(resid  31 and  name HN  ) 4.0 2.2 2.0
assign (resid  27 and  name HG#  )(resid  30 and  name HN  ) 4.0 2.2 2.0
assign (resid  27 and  name HG#  )(resid  31 and  name HN  ) 4.0 2.2 1.0
assign (resid  28 and  name HN   )(resid  30 and  name HN  ) 4.0 2.2 1.0
assign (resid  28 and  name HN   )(resid  31 and  name HN  ) 4.0 2.2 1.0
assign (resid  28 and  name HA   )(resid  30 and  name HN  ) 4.0 2.2 1.0
assign (resid  28 and  name HA   )(resid  31 and  name HB# ) 4.0 2.2 1.0
assign (resid  28 and  name HA   )(resid  31 and  name HN  ) 4.0 2.2 1.0
assign (resid  28 and  name HA   )(resid  32 and  name HN  ) 4.0 2.2 1.0
assign (resid  28 and  name HB#  )(resid  30 and  name HN  ) 4.0 2.2 2.0
assign (resid  29 and  name HN   )(resid  31 and  name HG# ) 4.0 2.2 2.0
assign (resid  29 and  name HN   )(resid  31 and  name HN  ) 4.0 2.2 1.0
assign (resid  29 and  name HN   )(resid  32 and  name HN  ) 4.0 2.2 2.0
assign (resid  29 and  name HN   )(resid  32 and  name HB  ) 4.0 2.2 2.0
assign (resid  29 and  name HA   )(resid  31 and  name HG# ) 4.0 2.2 1.0
assign (resid  29 and  name HA   )(resid  31 and  name HN  ) 4.0 2.2 1.0
assign (resid  29 and  name HA   )(resid  32 and  name HN  ) 4.0 2.2 1.0
assign (resid  29 and  name HA   )(resid  32 and  name HA  ) 4.0 2.2 2.0
assign (resid  29 and  name HA   )(resid  32 and  name HB  ) 4.0 2.2 1.0
assign (resid  29 and  name HA   )(resid  33 and  name HG# ) 4.0 2.2 2.0
assign (resid  29 and  name HA   )(resid  33 and  name HN  ) 4.0 2.2 2.0
assign (resid  29 and  name HB#  )(resid  32 and  name HN  ) 4.0 2.2 2.0
assign (resid  29 and  name HB#  )(resid  32 and  name HB  ) 4.0 2.2 2.0
assign (resid  30 and  name HN   )(resid  32 and  name HN  ) 4.0 2.2 1.0
assign (resid  30 and  name HN   )(resid  32 and  name HB  ) 4.0 2.2 1.0
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assign (resid  31 and  name HN   )(resid  34 and  name HD# ) 4.0 2.2 1.0
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assign (resid  49 and  name HG   )(resid  53 and  name HB  ) 4.0 2.2 1.0
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assign (resid  51 and  name HN   )(resid  53 and  name HB  ) 4.0 2.2 2.0
assign (resid  51 and  name HA   )(resid  53 and  name HN  ) 4.0 2.2 2.0
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assign (resid  54 and  name HN   )(resid  56 and  name HB  ) 4.0 2.2 2.0
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assign (resid  54 and  name HA   )(resid  56 and  name HB  ) 4.0 2.2 1.0
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assign (resid  65 and  name HB#  )(resid  69 and  name HA  ) 4.0 2.2 2.0
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assign (resid  66 and  name HN   )(resid  69 and  name HA  ) 4.0 2.2 2.0
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assign (resid  66 and  name HN   )(resid  71 and  name HA  ) 4.0 2.2 2.0
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assign (resid  66 and  name HA   )(resid  69 and  name HN  ) 4.0 2.2 2.0
assign (resid  66 and  name HA   )(resid  69 and  name HB  ) 4.0 2.2 2.0
assign (resid  66 and  name HB#  )(resid  68 and  name HN  ) 4.0 2.2 1.0
assign (resid  66 and  name HB#  )(resid  69 and  name HN  ) 4.0 2.2 1.0
assign (resid  66 and  name HB#  )(resid  69 and  name HA  ) 4.0 2.2 2.0
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assign (resid  66 and  name HG#  )(resid  68 and  name HN  ) 4.0 2.2 2.0
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assign (resid  67 and  name HB#  )(resid  69 and  name HN  ) 4.0 2.2 1.0
assign (resid  67 and  name HD#  )(resid  69 and  name HN  ) 4.0 2.2 1.0
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assign (resid  77 and  name HD#  )(resid  81 and  name HA  ) 4.0 2.2 2.0
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assign (resid  88 and  name HN   )(resid  92 and  name HN  ) 4.0 2.2 2.0
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assign (resid  89 and  name HA   )(resid  91 and  name HG# ) 4.0 2.2 1.0
assign (resid  89 and  name HA   )(resid  91 and  name HN  ) 4.0 2.2 1.0
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assign (resid  94 and  name HA   )(resid  96 and  name HN  ) 4.0 2.2 1.0
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assign (resid  96 and  name HA   )(resid  100 and  name HN ) 4.0 2.2 1.0
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assign (resid  97 and  name HA   )(resid  99 and  name HN  ) 4.0 2.2 1.0
assign (resid  97 and  name HA   )(resid  99 and  name HB  ) 4.0 2.2 1.0
assign (resid  97 and  name HA   )(resid  100 and  name HN ) 4.0 2.2 1.0
assign (resid  97 and  name HA   )(resid  100 and  name HA ) 4.0 2.2 1.0
assign (resid  97 and  name HB#  )(resid  100 and  name HN ) 4.0 2.2 2.0
assign (resid  97 and  name HG   )(resid  99 and  name HN  ) 4.0 2.2 2.0
assign (resid  97 and  name HG   )(resid  100 and  name HN ) 4.0 2.2 2.0
assign (resid  97 and  name HG   )(resid  100 and  name HB#) 4.0 2.2 2.0
assign (resid  98 and  name HN   )(resid  100 and  name HN ) 4.0 2.2 1.0
assign (resid  98 and  name HA   )(resid  100 and  name HN ) 4.0 2.2 1.0
assign (resid  98 and  name HA   )(resid  101 and  name HN ) 4.0 2.2 2.0
assign (resid  98 and  name HB#  )(resid  100 and  name HN ) 4.0 2.2 2.0
assign (resid  99 and  name HN   )(resid  101 and  name HN ) 4.0 2.2 2.0
assign (resid  99 and  name HA   )(resid  101 and  name HN ) 4.0 2.2 2.0
assign (resid  99 and  name HA   )(resid  102 and  name HA ) 4.0 2.2 2.0
!long range noes
assign (resid  1 and  name HN    )(resid  29 and  name HN  ) 4.0 2.2 2.0
assign (resid  2 and  name HN    )(resid  25 and  name HA  ) 4.0 2.2 1.0
assign (resid  2 and  name HN    )(resid  28 and  name HB# ) 4.0 2.2 1.0
assign (resid  2 and  name HA    )(resid  24 and  name HN  ) 4.0 2.2 1.0
assign (resid  2 and  name HA    )(resid  24 and  name HA# ) 4.0 2.2 2.0
assign (resid  2 and  name HA    )(resid  25 and  name HB1 ) 4.0 2.2 2.0
assign (resid  2 and  name HA    )(resid  25 and  name HB2 ) 4.0 2.2 2.0
assign (resid  2 and  name HA    )(resid  25 and  name HN  ) 4.0 2.2 1.0
assign (resid  2 and  name HA    )(resid  25 and  name HA  ) 2.5 0.7 0.2
assign (resid  2 and  name HA    )(resid  25 and  name HD# ) 4.0 2.2 1.0
assign (resid  2 and  name HA    )(resid  26 and  name HN  ) 4.0 2.2 2.0
assign (resid  2 and  name HA    )(resid  26 and  name HA  ) 4.0 2.2 2.0
assign (resid  2 and  name HA    )(resid  28 and  name HB# ) 4.0 2.2 1.0
assign (resid  2 and  name HA    )(resid  28 and  name HN  ) 4.0 2.2 1.0
assign (resid  2 and  name HA    )(resid  28 and  name HA  ) 4.0 2.2 1.0
assign (resid  2 and  name HA    )(resid  29 and  name HN  ) 4.0 2.2 2.0
assign (resid  2 and  name HB#   )(resid  24 and  name HN  ) 4.0 2.2 2.0
assign (resid  2 and  name HB#   )(resid  25 and  name HA  ) 4.0 2.2 1.0
assign (resid  2 and  name HG#   )(resid  25 and  name HA  ) 4.0 2.2 1.0
assign (resid  2 and  name HG#   )(resid  28 and  name HB# ) 4.0 2.2 2.0
assign (resid  3 and  name HN    )(resid  23 and  name HA  ) 4.0 2.2 2.0
assign (resid  3 and  name HN    )(resid  24 and  name HN  ) 4.0 2.2 1.0
assign (resid  3 and  name HN    )(resid  24 and  name HA# ) 4.0 2.2 1.0
assign (resid  3 and  name HN    )(resid  25 and  name HN  ) 4.0 2.2 1.0
assign (resid  3 and  name HN    )(resid  25 and  name HD# ) 4.0 2.2 2.0
assign (resid  3 and  name HN    )(resid  25 and  name HA  ) 4.0 2.2 1.0
assign (resid  3 and  name HN    )(resid  28 and  name HN  ) 4.0 2.2 1.0
assign (resid  3 and  name HN    )(resid  28 and  name HA  ) 4.0 2.2 1.0
assign (resid  3 and  name HA    )(resid  24 and  name HN  ) 4.0 2.2 2.0
assign (resid  3 and  name HB    )(resid  24 and  name HN  ) 4.0 2.2 2.0
assign (resid  3 and  name HB    )(resid  28 and  name HN  ) 4.0 2.2 2.0
assign (resid  4 and  name HN    )(resid  22 and  name HD# ) 4.0 2.2 2.0
assign (resid  4 and  name HN    )(resid  24 and  name HN  ) 4.0 2.2 2.0
assign (resid  4 and  name HN    )(resid  23 and  name HA  ) 4.0 2.2 2.0
assign (resid  4 and  name HN    )(resid  22 and  name HG# ) 4.0 2.2 2.0
assign (resid  4 and  name HA    )(resid  22 and  name HG# ) 3.0 1.2 0.5
assign (resid  4 and  name HA    )(resid  22 and  name HN  ) 4.0 2.2 2.0
assign (resid  4 and  name HA    )(resid  22 and  name HD# ) 4.0 2.2 1.0
assign (resid  4 and  name HA    )(resid  23 and  name HA  ) 4.0 2.2 2.0
assign (resid  4 and  name HA    )(resid  22 and  name HA  ) 4.0 2.2 2.0
assign (resid  4 and  name HA    )(resid  23 and  name HN  ) 4.0 2.2 1.0
assign (resid  4 and  name HA    )(resid  23 and  name HA  ) 4.0 2.2 1.0
assign (resid  4 and  name HA    )(resid  24 and  name HN  ) 4.0 2.2 1.0
assign (resid  4 and  name HA    )(resid  24 and  name HA# ) 4.0 2.2 2.0
assign (resid  4 and  name HB#   )(resid  22 and  name HD# ) 4.0 2.2 2.0
assign (resid  4 and  name HB#   )(resid  23 and  name HA  ) 4.0 2.2 2.0
assign (resid  4 and  name HD#   )(resid  23 and  name HA  ) 4.0 2.2 1.0
assign (resid  4 and  name HD#   )(resid  24 and  name HN  ) 4.0 2.2 1.0
assign (resid  4 and  name HE#   )(resid  23 and  name HA  ) 4.0 2.2 2.0
assign (resid  4 and  name HE#   )(resid  24 and  name HN  ) 4.0 2.2 1.0
assign (resid  4 and  name HZ    )(resid  23 and  name HA  ) 4.0 2.2 1.0
assign (resid  4 and  name HZ    )(resid  24 and  name HN  ) 4.0 2.2 1.0
assign (resid  4 and  name HZ    )(resid  25 and  name HN  ) 4.0 2.2 1.0
assign (resid  4 and  name HZ    )(resid  25 and  name HA  ) 4.0 2.2 1.0
assign (resid  5 and  name HN    )(resid  22 and  name HG# ) 4.0 2.2 1.0
assign (resid  5 and  name HN    )(resid  22 and  name HD# ) 4.0 2.2 1.0
assign (resid  5 and  name HA    )(resid  22 and  name HG# ) 4.0 2.2 2.0
assign (resid  5 and  name HA    )(resid  22 and  name HD# ) 4.0 2.2 1.0
assign (resid  6 and  name HN    )(resid  21 and  name HA  ) 4.0 2.2 2.0
assign (resid  6 and  name HN    )(resid  22 and  name HB1 ) 4.0 2.2 2.0
assign (resid  6 and  name HN    )(resid  22 and  name HB2 ) 4.0 2.2 2.0
assign (resid  6 and  name HN    )(resid  22 and  name HG# ) 4.0 2.2 1.0
assign (resid  6 and  name HN    )(resid  22 and  name HN  ) 4.0 2.2 1.0
assign (resid  6 and  name HA    )(resid  22 and  name HB1 ) 4.0 2.2 1.0
assign (resid  6 and  name HA    )(resid  22 and  name HB2 ) 4.0 2.2 1.0
assign (resid  6 and  name HA    )(resid  22 and  name HN  ) 4.0 2.2 2.0
assign (resid  6 and  name HB#   )(resid  22 and  name HB# ) 4.0 2.2 2.0
assign (resid  6 and  name HG    )(resid  22 and  name HB1 ) 4.0 2.2 1.0
assign (resid  6 and  name HG    )(resid  22 and  name HB2 ) 4.0 2.2 1.0
assign (resid  6 and  name HG    )(resid  22 and  name HA  ) 4.0 2.2 2.0
assign (resid  6 and  name HG    )(resid  22 and  name HN  ) 4.0 2.2 1.0
assign (resid  7 and  name HN    )(resid  19 and  name HA  ) 4.0 2.2 2.0
assign (resid  7 and  name HA    )(resid  19 and  name HA  ) 4.0 2.2 2.0
assign (resid  7 and  name HB1   )(resid  19 and  name HA  ) 4.0 2.2 2.0
assign (resid  7 and  name HB2   )(resid  19 and  name HA  ) 4.0 2.2 2.0
assign (resid  8 and  name HN    )(resid  15 and  name HG# ) 4.0 2.2 2.0
assign (resid  9 and  name HD#   )(resid  15 and  name HA  ) 4.0 2.2 2.0
assign (resid  14 and  name HA#  )(resid  56 and  name HB  ) 4.0 2.2 2.0
assign (resid  15 and  name HN   )(resid  56 and  name HB  ) 4.0 2.2 2.0
assign (resid  15 and  name HA   )(resid  54 and  name HA  ) 4.0 2.2 2.0
assign (resid  16 and  name HA   )(resid  54 and  name HA  ) 4.0 2.2 1.0
assign (resid  16 and  name HA   )(resid  54 and  name HN  ) 4.0 2.2 1.0
assign (resid  16 and  name HA   )(resid  54 and  name HA  ) 2.5 0.7 0.2
assign (resid  16 and  name HA   )(resid  54 and  name HB  ) 4.0 2.2 1.0
assign (resid  16 and  name HA   )(resid  55 and  name HN  ) 4.0 2.2 1.0
assign (resid  16 and  name HA   )(resid  55 and  name HA  ) 4.0 2.2 1.0
assign (resid  16 and  name HA   )(resid  56 and  name HN  ) 4.0 2.2 1.0
assign (resid  16 and  name HB#  )(resid  56 and  name HB  ) 4.0 2.2 2.0
assign (resid  16 and  name HD#  )(resid  54 and  name HA  ) 4.0 2.2 1.0
assign (resid  16 and  name HE#  )(resid  54 and  name HA  ) 4.0 2.2 2.0
assign (resid  17 and  name HN   )(resid  53 and  name HN  ) 4.0 2.2 2.0
assign (resid  17 and  name HN   )(resid  53 and  name HB  ) 4.0 2.2 2.0
assign (resid  17 and  name HN   )(resid  54 and  name HN  ) 4.0 2.2 2.0
assign (resid  17 and  name HN   )(resid  54 and  name HA  ) 3.0 1.2 0.5
assign (resid  17 and  name HN   )(resid  54 and  name HB  ) 4.0 2.2 2.0
assign (resid  17 and  name HN   )(resid  55 and  name HN  ) 4.0 2.2 1.0
assign (resid  17 and  name HN   )(resid  56 and  name HN  ) 4.0 2.2 2.0
assign (resid  17 and  name HA   )(resid  48 and  name HB  ) 4.0 2.2 1.0
assign (resid  17 and  name HA   )(resid  49 and  name HG  ) 4.0 2.2 1.0
assign (resid  17 and  name HA   )(resid  52 and  name HA  ) 4.0 2.2 1.0
assign (resid  17 and  name HA   )(resid  53 and  name HN  ) 3.0 1.2 0.5
assign (resid  17 and  name HA   )(resid  53 and  name HA  ) 4.0 2.2 1.0
assign (resid  17 and  name HA   )(resid  53 and  name HB  ) 3.0 1.2 0.5
assign (resid  17 and  name HA   )(resid  54 and  name HN  ) 4.0 2.2 1.0
assign (resid  17 and  name HA   )(resid  54 and  name HA  ) 4.0 2.2 1.0
assign (resid  17 and  name HA   )(resid  55 and  name HN  ) 4.0 2.2 2.0
assign (resid  17 and  name HB1  )(resid  48 and  name HB  ) 4.0 2.2 2.0
assign (resid  17 and  name HB2  )(resid  48 and  name HB  ) 4.0 2.2 2.0
assign (resid  17 and  name HG#  )(resid  48 and  name HA  ) 4.0 2.2 2.0
assign (resid  17 and  name HG#  )(resid  48 and  name HB  ) 3.0 1.2 0.5
assign (resid  17 and  name HG#  )(resid  52 and  name HA  ) 4.0 2.2 2.0
assign (resid  17 and  name HG#  )(resid  53 and  name HN  ) 4.0 2.2 2.0
assign (resid  17 and  name HG#  )(resid  53 and  name HB  ) 4.0 2.2 2.0
assign (resid  18 and  name HN   )(resid  53 and  name HN  ) 4.0 2.2 1.0
assign (resid  18 and  name HN   )(resid  49 and  name HA  ) 4.0 2.2 2.0
assign (resid  18 and  name HN   )(resid  53 and  name HA  ) 4.0 2.2 2.0
assign (resid  18 and  name HN#  )(resid  53 and  name HB  ) 3.0 1.2 0.5
assign (resid  18 and  name HA   )(resid  49 and  name HG  ) 4.0 2.2 1.0
assign (resid  18 and  name HA   )(resid  53 and  name HN  ) 4.0 2.2 2.0
assign (resid  18 and  name HA   )(resid  53 and  name HB  ) 4.0 2.2 1.0
assign (resid  18 and  name HA   )(resid  54 and  name HN  ) 4.0 2.2 2.0
assign (resid  18 and  name HA   )(resid  54 and  name HA  ) 4.0 2.2 2.0
assign (resid  18 and  name HA   )(resid  55 and  name HN  ) 4.0 2.2 2.0
assign (resid  18 and  name HA   )(resid  55 and  name HA# ) 4.0 2.2 2.0
assign (resid  18 and  name HB   )(resid  49 and  name HA  ) 4.0 2.2 2.0
assign (resid  18 and  name HB   )(resid  49 and  name HG  ) 3.0 1.2 0.5
assign (resid  18 and  name HB   )(resid  53 and  name HN  ) 4.0 2.2 1.0
assign (resid  18 and  name HB   )(resid  53 and  name HA  ) 4.0 2.2 1.0
assign (resid  18 and  name HB   )(resid  53 and  name HB  ) 2.5 0.7 0.2
assign (resid  18 and  name HB   )(resid  54 and  name HN  ) 4.0 2.2 2.0
assign (resid  18 and  name HB   )(resid  55 and  name HN  ) 4.0 2.2 2.0
assign (resid  19 and  name HN   )(resid  49 and  name HG  ) 4.0 2.2 1.0
assign (resid  19 and  name HN   )(resid  53 and  name HB  ) 4.0 2.2 2.0
assign (resid  19 and  name HA   )(resid  49 and  name HG  ) 4.0 2.2 2.0
assign (resid  20 and  name HN   )(resid  49 and  name HB# ) 4.0 2.2 2.0
assign (resid  20 and  name HN   )(resid  49 and  name HA  ) 4.0 2.2 2.0
assign (resid  20 and  name HN   )(resid  49 and  name HG  ) 4.0 2.2 1.0
assign (resid  20 and  name HA   )(resid  49 and  name HB# ) 4.0 2.2 2.0
assign (resid  20 and  name HA   )(resid  49 and  name HA  ) 4.0 2.2 2.0
assign (resid  20 and  name HA   )(resid  49 and  name HG  ) 4.0 2.2 2.0
assign (resid  20 and  name HB#  )(resid  49 and  name HB# ) 4.0 2.2 2.0
assign (resid  20 and  name HB#  )(resid  49 and  name HN  ) 4.0 2.2 1.0
assign (resid  20 and  name HB#  )(resid  49 and  name HA  ) 4.0 2.2 1.0
assign (resid  20 and  name HB#  )(resid  49 and  name HG  ) 4.0 2.2 1.0
assign (resid  20 and  name HG#  )(resid  49 and  name HA  ) 4.0 2.2 1.0
assign (resid  20 and  name HG#  )(resid  49 and  name HG  ) 4.0 2.2 1.0
assign (resid  21 and  name HN   )(resid  49 and  name HN  ) 4.0 2.2 1.0
assign (resid  21 and  name HN   )(resid  49 and  name HA  ) 4.0 2.2 1.0
assign (resid  21 and  name HN   )(resid  49 and  name HG  ) 4.0 2.2 2.0
assign (resid  21 and  name HN   )(resid  50 and  name HN  ) 4.0 2.2 2.0
assign (resid  21 and  name HN   )(resid  101 and  name HG#) 4.0 2.2 2.0
assign (resid  21 and  name HA   )(resid  49 and  name HN  ) 4.0 2.2 2.0
assign (resid  21 and  name HB#  )(resid  49 and  name HN  ) 4.0 2.2 2.0
assign (resid  21 and  name HB#  )(resid  101 and  name HA ) 4.0 2.2 2.0
assign (resid  21 and  name HN   )(resid  49 and  name HN  ) 4.0 2.2 2.0
assign (resid  22 and  name HA   )(resid  47 and  name HN  ) 4.0 2.2 2.0
assign (resid  22 and  name HA   )(resid  48 and  name HN  ) 4.0 2.2 2.0
assign (resid  22 and  name HA   )(resid  48 and  name HA  ) 2.5 0.7 0.2
assign (resid  22 and  name HA   )(resid  48 and  name HB  ) 4.0 2.2 1.0
assign (resid  22 and  name HA   )(resid  49 and  name HN  ) 3.0 1.2 0.5
assign (resid  22 and  name HA   )(resid  49 and  name HN  ) 4.0 2.2 1.0
assign (resid  22 and  name HA   )(resid  49 and  name HG  ) 4.0 2.2 2.0
assign (resid  22 and  name HA   )(resid  50 and  name HN  ) 4.0 2.2 2.0
assign (resid  22 and  name HB#  )(resid  48 and  name HA  ) 4.0 2.2 1.0
assign (resid  22 and  name HB#  )(resid  48 and  name HB  ) 4.0 2.2 1.0
assign (resid  22 and  name HB#  )(resid  49 and  name HN  ) 4.0 2.2 1.0
assign (resid  22 and  name HB#  )(resid  49 and  name HG  ) 4.0 2.2 2.0
assign (resid  22 and  name HG#  )(resid  48 and  name HA  ) 4.0 2.2 2.0
assign (resid  23 and  name HN   )(resid  46 and  name HA  ) 4.0 2.2 1.0
assign (resid  23 and  name HN   )(resid  47 and  name HB# ) 4.0 2.2 1.0
assign (resid  23 and  name HN   )(resid  47 and  name HN  ) 4.0 2.2 1.0
assign (resid  23 and  name HN   )(resid  47 and  name HA  ) 4.0 2.2 1.0
assign (resid  23 and  name HN   )(resid  48 and  name HN  ) 4.0 2.2 1.0
assign (resid  23 and  name HN   )(resid  48 and  name HA  ) 2.5 0.7 0.2
assign (resid  23 and  name HN   )(resid  48 and  name HB  ) 4.0 2.2 1.0
assign (resid  23 and  name HN   )(resid  49 and  name HN  ) 4.0 2.2 1.0
assign (resid  23 and  name HA   )(resid  46 and  name HA  ) 4.0 2.2 2.0
assign (resid  23 and  name HA   )(resid  47 and  name HB  ) 4.0 2.2 1.0
assign (resid  23 and  name HA   )(resid  47 and  name HN  ) 4.0 2.2 1.0
assign (resid  23 and  name HA   )(resid  48 and  name HA  ) 4.0 2.2 2.0
assign (resid  23 and  name HB#  )(resid  46 and  name HA  ) 4.0 2.2 2.0
assign (resid  23 and  name HB#  )(resid  47 and  name HN  ) 4.0 2.2 1.0
assign (resid  23 and  name HN   )(resid  101 and  name HA ) 4.0 2.2 2.0
assign (resid  24 and  name HN   )(resid  46 and  name HA  ) 4.0 2.2 1.0
assign (resid  24 and  name HN   )(resid  47 and  name HN  ) 4.0 2.2 1.0
assign (resid  24 and  name HN   )(resid  46 and  name HB1 ) 4.0 2.2 2.0
assign (resid  24 and  name HN   )(resid  46 and  name HB2 ) 4.0 2.2 2.0
assign (resid  24 and  name HA#  )(resid  45 and  name HN  ) 4.0 2.2 2.0
assign (resid  24 and  name HA#  )(resid  46 and  name HB# ) 3.0 1.2 0.5
assign (resid  24 and  name HA#  )(resid  46 and  name HG# ) 4.0 2.2 1.0
assign (resid  24 and  name HA#  )(resid  46 and  name HN  ) 4.0 2.2 2.0
assign (resid  24 and  name HA#  )(resid  46 and  name HA  ) 4.0 2.2 2.0
assign (resid  24 and  name HA#  )(resid  47 and  name HN  ) 3.0 1.2 0.5
assign (resid  25 and  name HN   )(resid  45 and  name HN  ) 4.0 2.2 1.0
assign (resid  25 and  name HN   )(resid  45 and  name HA# ) 4.0 2.2 1.0
assign (resid  25 and  name HN   )(resid  46 and  name HB# ) 4.0 2.2 2.0
assign (resid  25 and  name HN   )(resid  46 and  name HN  ) 4.0 2.2 2.0
assign (resid  25 and  name HN   )(resid  46 and  name HA  ) 4.0 2.2 1.0
assign (resid  25 and  name HN   )(resid  47 and  name HN  ) 4.0 2.2 1.0
assign (resid  25 and  name HA   )(resid  46 and  name HA  ) 4.0 2.2 1.0
assign (resid  25 and  name HB#  )(resid  45 and  name HN  ) 4.0 2.2 2.0
assign (resid  25 and  name HZ   )(resid  47 and  name HN  ) 4.0 2.2 2.0
assign (resid  26 and  name HN   )(resid  44 and  name HA  ) 4.0 2.2 1.0
assign (resid  26 and  name HN   )(resid  45 and  name HN  ) 4.0 2.2 1.0
assign (resid  26 and  name HN   )(resid  45 and  name HA# ) 4.0 2.2 1.0
assign (resid  26 and  name HN   )(resid  46 and  name HB# ) 4.0 2.2 1.0
assign (resid  26 and  name HN   )(resid  46 and  name HN  ) 4.0 2.2 1.0
assign (resid  26 and  name HA   )(resid  44 and  name HA  ) 4.0 2.2 1.0
assign (resid  26 and  name HA   )(resid  45 and  name HN  ) 4.0 2.2 1.0
assign (resid  26 and  name HB#  )(resid  43 and  name HB# ) 4.0 2.2 2.0
assign (resid  26 and  name HB#  )(resid  44 and  name HB# ) 4.0 2.2 1.0
assign (resid  26 and  name HG#  )(resid  44 and  name HA  ) 4.0 2.2 2.0
assign (resid  26 and  name HG#  )(resid  45 and  name HN  ) 4.0 2.2 2.0
assign (resid  26 and  name HD#  )(resid  44 and  name HA  ) 4.0 2.2 1.0
assign (resid  27 and  name HN   )(resid  44 and  name HB1 ) 4.0 2.2 2.0
assign (resid  27 and  name HN   )(resid  44 and  name HB2 ) 4.0 2.2 1.0
assign (resid  27 and  name HN   )(resid  44 and  name HA  ) 4.0 2.2 1.0
assign (resid  27 and  name HN   )(resid  45 and  name HN  ) 4.0 2.2 2.0
assign (resid  27 and  name HN   )(resid  45 and  name HA# ) 4.0 2.2 2.0
assign (resid  27 and  name HN   )(resid  46 and  name HB1 ) 4.0 2.2 2.0
assign (resid  27 and  name HN   )(resid  46 and  name HB2 ) 3.0 1.2 0.5
assign (resid  27 and  name HN   )(resid  46 and  name HN  ) 4.0 2.2 1.0
assign (resid  27 and  name HN   )(resid  46 and  name HA  ) 4.0 2.2 1.0
assign (resid  27 and  name HA   )(resid  44 and  name HB# ) 4.0 2.2 1.0
assign (resid  27 and  name HA   )(resid  44 and  name HA  ) 4.0 2.2 1.0
assign (resid  27 and  name HA   )(resid  45 and  name HN  ) 4.0 2.2 1.0
assign (resid  27 and  name HA   )(resid  46 and  name HB1 ) 4.0 2.2 2.0
assign (resid  27 and  name HA   )(resid  46 and  name HB2 ) 4.0 2.2 2.0
assign (resid  27 and  name HA   )(resid  46 and  name HN  ) 4.0 2.2 2.0
assign (resid  27 and  name HA   )(resid  84 and  name HA  ) 4.0 2.2 2.0
assign (resid  27 and  name HA   )(resid  84 and  name HB  ) 4.0 2.2 2.0
assign (resid  27 and  name HB#  )(resid  44 and  name HB# ) 4.0 2.2 2.0
assign (resid  27 and  name HB#  )(resid  44 and  name HA  ) 4.0 2.2 1.0
assign (resid  27 and  name HB#  )(resid  45 and  name HN  ) 4.0 2.2 1.0
assign (resid  27 and  name HB#  )(resid  46 and  name HB# ) 3.0 1.2 0.5
assign (resid  27 and  name HB#  )(resid  46 and  name HN  ) 4.0 2.2 1.0
assign (resid  27 and  name HB#  )(resid  46 and  name HA  ) 4.0 2.2 1.0
assign (resid  27 and  name HB#  )(resid  84 and  name HB  ) 4.0 2.2 2.0
assign (resid  27 and  name HG#  )(resid  41 and  name HB# ) 4.0 2.2 2.0
assign (resid  27 and  name HG#  )(resid  44 and  name HA  ) 4.0 2.2 2.0
assign (resid  27 and  name HG#  )(resid  45 and  name HN  ) 4.0 2.2 2.0
assign (resid  27 and  name HG#  )(resid  46 and  name HN  ) 4.0 2.2 2.0
assign (resid  27 and  name HG#  )(resid  84 and  name HA  ) 4.0 2.2 2.0
assign (resid  27 and  name HG#  )(resid  84 and  name HB  ) 4.0 2.2 2.0
assign (resid  28 and  name HN   )(resid  44 and  name HA  ) 4.0 2.2 2.0
assign (resid  28 and  name HN   )(resid  45 and  name HN  ) 4.0 2.2 1.0
assign (resid  28 and  name HN   )(resid  46 and  name HB# ) 4.0 2.2 1.0
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assign (resid  31 and  name HB1  )(resid  79 and  name HE# ) 4.0 2.2 2.0
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assign (resid  33 and  name HA   )(resid  39 and  name HB  ) 4.0 2.2 1.0
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assign (resid  33 and  name HB#  )(resid  39 and  name HA  ) 4.0 2.2 2.0
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assign (resid  33 and  name HB#  )(resid  40 and  name HN  ) 4.0 2.2 2.0
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assign (resid  34 and  name HA   )(resid  81 and  name HB  ) 4.0 2.2 2.0
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assign (resid  34 and  name HA   )(resid  83 and  name HN  ) 4.0 2.2 2.0
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assign (resid  34 and  name HG#  )(resid  81 and  name HA  ) 4.0 2.2 2.0
assign (resid  34 and  name HG#  )(resid  81 and  name HB  ) 4.0 2.2 2.0
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assign (resid  34 and  name HG#  )(resid  82 and  name HA  ) 2.5 0.7 0.2
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assign (resid  34 and  name HD#  )(resid  83 and  name HN  ) 4.0 2.2 1.0
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assign (resid  37 and  name HA   )(resid  81 and  name HB  ) 4.0 2.2 2.0
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assign (resid  38 and  name HN   )(resid  81 and  name HB  ) 4.0 2.2 1.0
assign (resid  38 and  name HA   )(resid  80 and  name HA# ) 4.0 2.2 2.0
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assign (resid  38 and  name HA   )(resid  82 and  name HN  ) 4.0 2.2 1.0
assign (resid  38 and  name HA   )(resid  82 and  name HA  ) 4.0 2.2 1.0
assign (resid  38 and  name HA   )(resid  83 and  name HN  ) 4.0 2.2 2.0
assign (resid  38 and  name HB#  )(resid  81 and  name HN  ) 4.0 2.2 1.0
assign (resid  38 and  name HB#  )(resid  81 and  name HA  ) 4.0 2.2 2.0
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assign (resid  38 and  name HB#  )(resid  82 and  name HA  ) 4.0 2.2 2.0
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assign (resid  39 and  name HN   )(resid  81 and  name HN  ) 4.0 2.2 1.0
assign (resid  39 and  name HN   )(resid  81 and  name HA  ) 4.0 2.2 2.0
assign (resid  39 and  name HN   )(resid  81 and  name HB  ) 4.0 2.2 1.0
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assign (resid  39 and  name HN   )(resid  82 and  name HA  ) 3.0 1.2 0.5
assign (resid  39 and  name HN   )(resid  83 and  name HN  ) 4.0 2.2 1.0
assign (resid  39 and  name HN   )(resid  83 and  name HB  ) 4.0 2.2 1.0
assign (resid  39 and  name HA   )(resid  82 and  name HA  ) 4.0 2.2 2.0
assign (resid  39 and  name HA   )(resid  83 and  name HN  ) 4.0 2.2 2.0
assign (resid  39 and  name HA   )(resid  83 and  name HB  ) 4.0 2.2 2.0
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assign (resid  39 and  name HB   )(resid  82 and  name HB  ) 4.0 2.2 2.0
assign (resid  39 and  name HB   )(resid  83 and  name HN  ) 4.0 2.2 1.0
assign (resid  39 and  name HB   )(resid  83 and  name HB  ) 4.0 2.2 2.0
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assign (resid  40 and  name HN   )(resid  83 and  name HB  ) 4.0 2.2 1.0
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assign (resid  40 and  name HA   )(resid  83 and  name HN  ) 3.0 1.2 0.5
assign (resid  40 and  name HA   )(resid  83 and  name HA  ) 4.0 2.2 1.0
assign (resid  40 and  name HA   )(resid  83 and  name HB  ) 2.5 0.7 0.2
assign (resid  40 and  name HA   )(resid  84 and  name HN  ) 4.0 2.2 1.0
assign (resid  40 and  name HA   )(resid  84 and  name HA  ) 4.0 2.2 1.0
assign (resid  40 and  name HA   )(resid  85 and  name HN  ) 4.0 2.2 2.0
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assign (resid  40 and  name HB   )(resid  83 and  name HN  ) 4.0 2.2 1.0
assign (resid  40 and  name HB   )(resid  83 and  name HA  ) 4.0 2.2 2.0
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assign (resid  41 and  name HN   )(resid  83 and  name HN  ) 4.0 2.2 1.0
assign (resid  41 and  name HN   )(resid  83 and  name HA  ) 4.0 2.2 2.0
assign (resid  41 and  name HN   )(resid  83 and  name HB  ) 4.0 2.2 1.0
assign (resid  41 and  name HN   )(resid  84 and  name HN  ) 4.0 2.2 1.0
assign (resid  41 and  name HN   )(resid  84 and  name HA  ) 3.0 1.2 0.5
assign (resid  41 and  name HN   )(resid  84 and  name HB  ) 4.0 2.2 1.0
assign (resid  41 and  name HN   )(resid  85 and  name HB# ) 4.0 2.2 2.0
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assign (resid  41 and  name HA   )(resid  84 and  name HA  ) 4.0 2.2 2.0
assign (resid  41 and  name HA   )(resid  85 and  name HN  ) 4.0 2.2 2.0
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assign (resid  42 and  name HN   )(resid  85 and  name HB  ) 4.0 2.2 2.0
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assign (resid  42 and  name HA   )(resid  84 and  name HA  ) 4.0 2.2 1.0
assign (resid  42 and  name HA   )(resid  84 and  name HB  ) 4.0 2.2 2.0
assign (resid  42 and  name HA   )(resid  85 and  name HG# ) 4.0 2.2 2.0
assign (resid  42 and  name HA   )(resid  85 and  name HB# ) 4.0 2.2 2.0
assign (resid  42 and  name HA   )(resid  85 and  name HN  ) 3.0 1.2 0.5
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assign (resid  42 and  name HA   )(resid  86 and  name HN  ) 4.0 2.2 2.0
assign (resid  42 and  name HA   )(resid  86 and  name HA  ) 4.0 2.2 1.0
assign (resid  42 and  name HB   )(resid  85 and  name HN  ) 4.0 2.2 2.0
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assign (resid  43 and  name HN   )(resid  85 and  name HA  ) 4.0 2.2 2.0
assign (resid  43 and  name HN   )(resid  86 and  name HB# ) 4.0 2.2 1.0
assign (resid  43 and  name HN   )(resid  86 and  name HN  ) 4.0 2.2 1.0
assign (resid  43 and  name HN   )(resid  86 and  name HA  ) 2.5 0.7 0.2
assign (resid  43 and  name HN   )(resid  86 and  name HG  ) 4.0 2.2 1.0
assign (resid  43 and  name HN   )(resid  87 and  name HG# ) 4.0 2.2 1.0
assign (resid  43 and  name HN   )(resid  87 and  name HD# ) 3.0 1.2 0.5
assign (resid  43 and  name HN   )(resid  87 and  name HA  ) 4.0 2.2 2.0
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assign (resid  43 and  name HA   )(resid  85 and  name HN  ) 4.0 2.2 2.0
assign (resid  43 and  name HA   )(resid  86 and  name HB# ) 4.0 2.2 1.0
assign (resid  43 and  name HA   )(resid  86 and  name HN  ) 4.0 2.2 2.0
assign (resid  43 and  name HA   )(resid  86 and  name HA  ) 3.0 1.2 0.5
assign (resid  43 and  name HA   )(resid  86 and  name HG  ) 3.0 1.2 0.5
assign (resid  43 and  name HA   )(resid  87 and  name HG# ) 4.0 2.2 1.0
assign (resid  43 and  name HA   )(resid  87 and  name HB# ) 4.0 2.2 2.0
assign (resid  43 and  name HA   )(resid  88 and  name HN  ) 4.0 2.2 2.0
assign (resid  43 and  name HB#  )(resid  86 and  name HA  ) 4.0 2.2 1.0
assign (resid  43 and  name HB#  )(resid  87 and  name HG# ) 4.0 2.2 1.0
assign (resid  43 and  name HB#  )(resid  87 and  name HD# ) 4.0 2.2 1.0
assign (resid  43 and  name HG#  )(resid  86 and  name HA  ) 4.0 2.2 1.0
assign (resid  43 and  name HG#  )(resid  86 and  name HG  ) 4.0 2.2 2.0
assign (resid  43 and  name HG#  )(resid  87 and  name HG# ) 3.0 1.2 0.5
assign (resid  43 and  name HD#  )(resid  87 and  name HG# ) 4.0 2.2 1.0
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assign (resid  44 and  name HB#  )(resid  85 and  name HN  ) 4.0 2.2 1.0
assign (resid  44 and  name HB#  )(resid  86 and  name HA  ) 4.0 2.2 2.0
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assign (resid  47 and  name HA   )(resid  100 and  name HB#) 4.0 2.2 2.0
assign (resid  47 and  name HB#  )(resid  100 and  name HA ) 4.0 2.2 1.0
assign (resid  47 and  name HB#  )(resid  101 and  name HN ) 4.0 2.2 2.0
assign (resid  47 and  name HB#  )(resid  101 and  name HA ) 4.0 2.2 2.0
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assign (resid  47 and  name HG#  )(resid  100 and  name HA ) 3.0 1.2 0.5
assign (resid  47 and  name HD#  )(resid  100 and  name HB#) 4.0 2.2 1.0
assign (resid  47 and  name HD#  )(resid  100 and  name HA ) 4.0 2.2 1.0
assign (resid  47 and  name HD#  )(resid  100 and  name HB#) 4.0 2.2 1.0
assign (resid  47 and  name HD#  )(resid  100 and  name HN ) 4.0 2.2 1.0
assign (resid  47 and  name HD#  )(resid  100 and  name HA ) 3.0 1.2 0.5
assign (resid  47 and  name HD#  )(resid  101 and  name HN ) 4.0 2.2 1.0
assign (resid  47 and  name HD#  )(resid  101 and  name HA ) 4.0 2.2 2.0
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assign (resid  56 and  name HB   )(resid  77 and  name HB# ) 4.0 2.2 1.0
assign (resid  56 and  name HB   )(resid  77 and  name HA  ) 4.0 2.2 2.0
assign (resid  56 and  name HB   )(resid  78 and  name HN  ) 3.0 1.2 0.5
assign (resid  56 and  name HB   )(resid  79 and  name HN  ) 4.0 2.2 2.0
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assign (resid  58 and  name HA   )(resid  76 and  name HN  ) 4.0 2.2 1.0
assign (resid  58 and  name HA   )(resid  77 and  name HB# ) 4.0 2.2 2.0
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assign (resid  58 and  name HA   )(resid  78 and  name HN  ) 4.0 2.2 2.0
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assign (resid  58 and  name HB#  )(resid  76 and  name HN  ) 4.0 2.2 1.0
assign (resid  58 and  name HB#  )(resid  76 and  name HA  ) 4.0 2.2 2.0
assign (resid  58 and  name HB#  )(resid  77 and  name HA  ) 3.0 1.2 0.5
assign (resid  58 and  name HB#  )(resid  78 and  name HN  ) 4.0 2.2 2.0
assign (resid  58 and  name HG#  )(resid  75 and  name HB  ) 4.0 2.2 2.0
assign (resid  58 and  name HG#  )(resid  77 and  name HA  ) 4.0 2.2 1.0
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assign (resid  59 and  name HN   )(resid  75 and  name HB  ) 4.0 2.2 1.0
assign (resid  59 and  name HN   )(resid  76 and  name HB# ) 4.0 2.2 1.0
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assign (resid  59 and  name HN   )(resid  76 and  name HA  ) 4.0 2.2 2.0
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assign (resid  59 and  name HA   )(resid  75 and  name HB  ) 4.0 2.2 2.0
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assign (resid  59 and  name HB   )(resid  75 and  name HA  ) 4.0 2.2 1.0
assign (resid  59 and  name HB   )(resid  75 and  name HB  ) 4.0 2.2 2.0
assign (resid  59 and  name HB   )(resid  76 and  name HN  ) 3.0 1.2 0.5
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assign (resid  60 and  name HA   )(resid  75 and  name HA  ) 2.5 0.7 0.2
assign (resid  60 and  name HA   )(resid  75 and  name HB  ) 2.5 0.7 0.2
assign (resid  60 and  name HA   )(resid  76 and  name HN  ) 4.0 2.2 1.0
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assign (resid  61 and  name HN   )(resid  73 and  name HB# ) 4.0 2.2 2.0
assign (resid  61 and  name HN   )(resid  73 and  name HA  ) 4.0 2.2 1.0
assign (resid  61 and  name HN   )(resid  74 and  name HB# ) 4.0 2.2 1.0
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assign (resid  61 and  name HN   )(resid  74 and  name HA  ) 4.0 2.2 1.0
assign (resid  61 and  name HN   )(resid  75 and  name HN  ) 4.0 2.2 1.0
assign (resid  61 and  name HN   )(resid  75 and  name HA  ) 3.0 1.2 0.5
assign (resid  61 and  name HN   )(resid  75 and  name HB  ) 4.0 2.2 1.0
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assign (resid  61 and  name HA#  )(resid  73 and  name HB# ) 4.0 2.2 2.0
assign (resid  61 and  name HA#  )(resid  73 and  name HA  ) 4.0 2.2 2.0
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assign (resid  61 and  name HA#  )(resid  75 and  name HA  ) 4.0 2.2 2.0
assign (resid  61 and  name HB   )(resid  73 and  name HA  ) 4.0 2.2 2.0
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assign (resid  61 and  name HB   )(resid  74 and  name HA  ) 4.0 2.2 2.0
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assign (resid  62 and  name HN   )(resid  73 and  name HA  ) 4.0 2.2 1.0
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assign (resid  62 and  name HA#  )(resid  74 and  name HN  ) 2.5 0.7 0.2
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assign (resid  63 and  name HN   )(resid  72 and  name HB  ) 4.0 2.2 1.0
assign (resid  63 and  name HN   )(resid  73 and  name HB# ) 4.0 2.2 1.0
assign (resid  63 and  name HN   )(resid  73 and  name HA  ) 3.0 1.2 0.5
assign (resid  63 and  name HN   )(resid  74 and  name HN  ) 4.0 2.2 1.0
assign (resid  63 and  name HA   )(resid  73 and  name HA  ) 4.0 2.2 2.0
assign (resid  63 and  name HB   )(resid  71 and  name HA  ) 4.0 2.2 2.0
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assign (resid  63 and  name HB   )(resid  73 and  name HA  ) 4.0 2.2 2.0
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assign (resid  64 and  name HN   )(resid  71 and  name HA  ) 4.0 2.2 2.0
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assign (resid  64 and  name HA   )(resid  71 and  name HG# ) 4.0 2.2 1.0
assign (resid  64 and  name HA   )(resid  71 and  name HB# ) 2.5 0.7 0.2
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assign (resid  64 and  name HA   )(resid  72 and  name HN  ) 4.0 2.2 1.0
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assign (resid  65 and  name HN   )(resid  71 and  name HB# ) 3.0 1.2 0.5
assign (resid  65 and  name HN   )(resid  71 and  name HN  ) 4.0 2.2 1.0
assign (resid  65 and  name HN   )(resid  71 and  name HA  ) 3.0 1.2 0.5
assign (resid  65 and  name HN   )(resid  72 and  name HN  ) 4.0 2.2 2.0
assign (resid  65 and  name HA   )(resid  71 and  name HA  ) 4.0 2.2 2.0
assign (resid  65 and  name HB#  )(resid  71 and  name HA  ) 4.0 2.2 2.0
assign (resid  65 and  name HG#  )(resid  71 and  name HA  ) 4.0 2.2 1.0
assign (resid  66 and  name HA   )(resid  90 and  name HB  ) 4.0 2.2 2.0
assign (resid  67 and  name HN   )(resid  90 and  name HB  ) 4.0 2.2 1.0
assign (resid  67 and  name HN   )(resid  90 and  name HA  ) 4.0 2.2 1.0
assign (resid  67 and  name HA   )(resid  85 and  name HA  ) 4.0 2.2 2.0
assign (resid  67 and  name HA   )(resid  86 and  name HN  ) 4.0 2.2 2.0
assign (resid  67 and  name HA   )(resid  90 and  name HA  ) 4.0 2.2 2.0
assign (resid  67 and  name HB#  )(resid  90 and  name HB# ) 4.0 2.2 1.0
assign (resid  67 and  name HB#  )(resid  90 and  name HA  ) 3.0 1.2 0.5
assign (resid  67 and  name HG#  )(resid  90 and  name HA  ) 4.0 2.2 1.0
assign (resid  67 and  name HG#  )(resid  93 and  name HA  ) 4.0 2.2 2.0
assign (resid  67 and  name HD#  )(resid  85 and  name HA  ) 4.0 2.2 2.0
assign (resid  67 and  name HD#  )(resid  86 and  name HB# ) 4.0 2.2 1.0
assign (resid  67 and  name HD#  )(resid  86 and  name HN  ) 4.0 2.2 1.0
assign (resid  67 and  name HD#  )(resid  90 and  name HA  ) 4.0 2.2 1.0
assign (resid  68 and  name HN   )(resid  85 and  name HA  ) 4.0 2.2 2.0
assign (resid  68 and  name HN   )(resid  86 and  name HN  ) 4.0 2.2 1.0
assign (resid  68 and  name HN   )(resid  89 and  name HA  ) 4.0 2.2 2.0
assign (resid  68 and  name HN   )(resid  90 and  name HB# ) 4.0 1.2 2.0
assign (resid  68 and  name HN   )(resid  90 and  name HA  ) 4.0 2.2 1.0
assign (resid  68 and  name HA   )(resid  85 and  name HG# ) 4.0 2.2 1.0
assign (resid  68 and  name HA   )(resid  85 and  name HB# ) 4.0 2.2 2.0
assign (resid  68 and  name HA   )(resid  85 and  name HA  ) 4.0 2.2 1.0
assign (resid  68 and  name HA   )(resid  86 and  name HB# ) 4.0 2.2 1.0
assign (resid  68 and  name HA   )(resid  86 and  name HN  ) 2.5 0.7 0.2
assign (resid  68 and  name HA   )(resid  86 and  name HA  ) 4.0 2.2 1.0
assign (resid  68 and  name HA   )(resid  86 and  name HG  ) 4.0 2.2 1.0
assign (resid  68 and  name HA   )(resid  87 and  name HA  ) 4.0 2.2 1.0
assign (resid  68 and  name HA   )(resid  88 and  name HN  ) 4.0 2.2 1.0
assign (resid  68 and  name HA   )(resid  88 and  name HB  ) 4.0 2.2 2.0
assign (resid  68 and  name HA   )(resid  90 and  name HA  ) 4.0 2.2 2.0
assign (resid  68 and  name HB#  )(resid  86 and  name HN  ) 4.0 2.2 2.0
assign (resid  68 and  name HB#  )(resid  87 and  name HA  ) 4.0 2.2 2.0
assign (resid  68 and  name HB#  )(resid  88 and  name HN  ) 4.0 2.2 1.0
assign (resid  68 and  name HB#  )(resid  89 and  name HA  ) 4.0 2.2 1.0
assign (resid  68 and  name HB#  )(resid  90 and  name HD# ) 4.0 2.2 2.0
assign (resid  68 and  name HB#  )(resid  90 and  name HA  ) 4.0 2.2 1.0
assign (resid  69 and  name HN   )(resid  86 and  name HB# ) 4.0 2.2 2.0
assign (resid  69 and  name HN   )(resid  86 and  name HN  ) 3.0 1.2 0.5
assign (resid  69 and  name HA   )(resid  85 and  name HG# ) 3.0 1.2 0.5
assign (resid  69 and  name HA   )(resid  85 and  name HB# ) 4.0 2.2 1.0
assign (resid  69 and  name HA   )(resid  85 and  name HA  ) 4.0 2.2 1.0
assign (resid  69 and  name HA   )(resid  86 and  name HN  ) 4.0 2.2 2.0
assign (resid  69 and  name HB   )(resid  85 and  name HG# ) 4.0 2.2 1.0
assign (resid  70 and  name HN   )(resid  85 and  name HB# ) 4.0 2.2 1.0
assign (resid  70 and  name HN   )(resid  85 and  name HG# ) 4.0 2.2 1.0
assign (resid  70 and  name HN   )(resid  85 and  name HA  ) 4.0 2.2 2.0
assign (resid  70 and  name HA   )(resid  83 and  name HA  ) 4.0 2.2 1.0
assign (resid  70 and  name HA   )(resid  83 and  name HB  ) 4.0 2.2 2.0
assign (resid  70 and  name HA   )(resid  84 and  name HN  ) 4.0 2.2 1.0
assign (resid  70 and  name HA   )(resid  84 and  name HA  ) 4.0 2.2 2.0
assign (resid  70 and  name HA   )(resid  85 and  name HG# ) 4.0 2.2 1.0
assign (resid  70 and  name HA   )(resid  85 and  name HB# ) 4.0 2.2 1.0
assign (resid  70 and  name HA   )(resid  85 and  name HN  ) 4.0 1.2 1.0
assign (resid  70 and  name HA   )(resid  85 and  name HA  ) 4.0 2.2 1.0
assign (resid  70 and  name HB   )(resid  85 and  name HG# ) 4.0 2.2 2.0
assign (resid  71 and  name HN   )(resid  83 and  name HA  ) 4.0 2.2 1.0
assign (resid  71 and  name HN   )(resid  83 and  name HB  ) 4.0 2.2 2.0
assign (resid  71 and  name HN   )(resid  84 and  name HN  ) 4.0 2.2 1.0
assign (resid  71 and  name HN   )(resid  85 and  name HA  ) 4.0 2.2 2.0
assign (resid  71 and  name HG#  )(resid  83 and  name HA  ) 4.0 2.2 1.0
assign (resid  71 and  name HG#  )(resid  84 and  name HN  ) 4.0 2.2 1.0
assign (resid  72 and  name HA   )(resid  83 and  name HA  ) 4.0 2.2 1.0
assign (resid  72 and  name HA   )(resid  83 and  name HB  ) 4.0 2.2 2.0
assign (resid  73 and  name HG#  )(resid  81 and  name HA  ) 4.0 2.2 2.0
assign (resid  73 and  name HG#  )(resid  82 and  name HN  ) 4.0 2.2 1.0
assign (resid  73 and  name HD#  )(resid  81 and  name HB  ) 4.0 2.2 2.0
assign (resid  73 and  name HD#  )(resid  82 and  name HN  ) 4.0 2.2 1.0
assign (resid  73 and  name HD#  )(resid  83 and  name HA  ) 4.0 2.2 2.0
assign (resid  75 and  name HN   )(resid  81 and  name HA  ) 4.0 1.2 2.0
assign (resid  75 and  name HN   )(resid  81 and  name HB  ) 4.0 2.2 2.0
!HYDROGEN BONDS 
assign (resid  3 and  name O     )(resid  24  and  name HN ) 2.5 0.7 0.2
assign (resid  3 and  name O     )(resid  24  and  name N  ) 2.7 0.7 1.2
assign (resid  3 and  name HN    )(resid  24  and  name O  ) 2.5 0.7 0.2
assign (resid  3 and  name N     )(resid  24  and  name O  ) 2.7 0.7 1.2
assign (resid  6 and  name O     )(resid  9  and  name HN  ) 2.5 0.7 0.2
assign (resid  6 and  name O     )(resid  9  and  name N   ) 2.5 0.7 1.2
assign (resid  7 and  name O     )(resid  10  and  name HN ) 2.5 0.7 0.2
assign (resid  7 and  name O     )(resid  10  and  name N  ) 2.7 0.7 1.2
assign (resid  8 and  name O     )(resid  11  and  name HN ) 2.5 0.7 0.2
assign (resid  8 and  name O     )(resid  11  and  name N  ) 2.7 0.7 1.2
assign (resid  9 and  name O     )(resid  12  and  name HN ) 2.5 0.7 0.2
assign (resid  9 and  name O     )(resid  12  and  name N  ) 2.7 0.7 1.2
assign (resid  10 and  name O    )(resid  13  and  name HN ) 2.5 0.7 0.2
assign (resid  10 and  name O    )(resid  13  and  name N  ) 2.7 0.7 1.2
assign (resid  21 and  name O    )(resid  49  and  name HN ) 2.5 0.7 0.2
assign (resid  21 and  name O    )(resid  49  and  name N  ) 2.7 0.7 1.2
assign (resid  23 and  name O    )(resid  47  and  name HN ) 2.5 0.7 0.2
assign (resid  23 and  name O    )(resid  47  and  name N  ) 2.7 0.7 1.2
assign (resid  23 and  name HN   )(resid  47  and  name O  ) 2.5 0.7 0.2
assign (resid  23 and  name N    )(resid  47  and  name O  ) 2.7 0.7 1.2
assign (resid  24 and  name O    )(resid  28  and  name HN ) 2.5 0.7 0.2
assign (resid  24 and  name O    )(resid  28  and  name N  ) 2.7 0.7 1.2
assign (resid  26 and  name O    )(resid  29  and  name HN ) 2.5 0.7 0.2
assign (resid  26 and  name O    )(resid  29  and  name N  ) 2.7 0.7 1.2
assign (resid  27 and  name O    )(resid  30  and  name HN ) 2.5 0.7 0.2
assign (resid  27 and  name O    )(resid  30  and  name N  ) 2.7 0.7 1.2
assign (resid  28 and  name O    )(resid  32  and  name HN ) 2.5 0.7 0.2
assign (resid  28 and  name O    )(resid  32  and  name N  ) 2.7 0.7 1.2
assign (resid  29 and  name O    )(resid  32  and  name HN ) 2.5 0.7 0.2
assign (resid  29 and  name O    )(resid  32  and  name N  ) 2.7 0.7 1.2
assign (resid  30 and  name O    )(resid  34  and  name HN ) 2.5 0.7 0.2
assign (resid  30 and  name O    )(resid  34  and  name N  ) 2.7 0.7 1.2
assign (resid  31 and  name O    )(resid  34  and  name HN ) 2.5 0.7 0.2
assign (resid  31 and  name O    )(resid  34  and  name N  ) 2.7 0.7 1.2
assign (resid  31 and  name O    )(resid  35  and  name HN ) 2.5 0.7 0.2
assign (resid  31 and  name O    )(resid  35  and  name N  ) 2.7 0.7 1.2
assign (resid  32 and  name O    )(resid  35  and  name HN ) 2.5 0.7 0.2
assign (resid  32 and  name O    )(resid  35  and  name N  ) 2.7 0.7 1.2
assign (resid  33 and  name O    )(resid  36  and  name HN ) 2.5 0.7 0.2
assign (resid  33 and  name O    )(resid  36  and  name N  ) 2.7 0.7 1.2
assign (resid  37 and  name O    )(resid  81  and  name HN ) 2.5 0.7 0.2
assign (resid  37 and  name O    )(resid  81  and  name N  ) 2.7 0.7 1.2
assign (resid  39 and  name O    )(resid  83  and  name HN ) 2.5 0.7 0.2
assign (resid  39 and  name O    )(resid  83  and  name N  ) 2.7 0.7 1.2
assign (resid  41 and  name O    )(resid  85  and  name HN ) 2.5 0.7 0.2
assign (resid  41 and  name O    )(resid  85  and  name N  ) 2.7 0.7 1.2
assign (resid  61 and  name O    )(resid  74  and  name HN ) 2.5 0.7 0.2
assign (resid  61 and  name O    )(resid  74  and  name N  ) 2.7 0.7 1.2
assign (resid  63 and  name O    )(resid  72  and  name HN ) 2.5 0.7 0.2
assign (resid  63 and  name O    )(resid  72  and  name N  ) 2.7 0.7 1.2
assign (resid  63 and  name HN   )(resid  72  and  name O  ) 2.5 0.7 0.2
assign (resid  63 and  name N    )(resid  72  and  name O  ) 2.7 0.7 1.2
assign (resid  67 and  name O    )(resid  86  and  name HN ) 2.5 0.7 0.2
assign (resid  67 and  name O    )(resid  86  and  name N  ) 2.7 0.7 1.2
assign (resid  74 and  name O    )(resid  61  and  name HN ) 2.5 0.7 0.2
assign (resid  74 and  name O    )(resid  61  and  name N  ) 2.7 0.7 1.2
assign (resid  81 and  name O    )(resid  39  and  name HN ) 2.5 0.7 0.2
assign (resid  81 and  name O    )(resid  39  and  name N  ) 2.7 0.7 1.2
assign (resid  83 and  name O    )(resid  41  and  name HN ) 2.5 0.7 0.2
assign (resid  83 and  name O    )(resid  41  and  name N  ) 2.7 0.7 1.2
assign (resid  85 and  name O    )(resid  43  and  name HN ) 2.5 0.7 0.2
assign (resid  85 and  name O    )(resid  43  and  name N  ) 2.7 0.7 1.2
assign (resid  89 and  name O    )(resid  92  and  name HN ) 2.5 0.7 0.2
assign (resid  89 and  name O    )(resid  92  and  name N  ) 2.7 0.7 1.2
assign (resid  90 and  name O    )(resid  93  and  name HN ) 2.5 0.7 0.2
assign (resid  90 and  name O    )(resid  93  and  name N  ) 2.7 0.7 1.2
assign (resid  91 and  name O    )(resid  94  and  name HN ) 2.5 0.7 0.2
assign (resid  91 and  name O    )(resid  94  and  name N  ) 2.7 0.7 1.2
assign (resid  92 and  name O    )(resid  95  and  name HN ) 2.5 0.7 0.2
assign (resid  92 and  name O    )(resid  95  and  name N  ) 2.7 0.7 1.2
assign (resid  93 and  name O    )(resid  97  and  name HN ) 2.5 0.7 0.2
assign (resid  93 and  name O    )(resid  97  and  name N  ) 2.7 0.7 1.2
assign (resid  93 and  name O    )(resid  96  and  name HN ) 2.5 0.7 0.2
assign (resid  93 and  name O    )(resid  96  and  name N  ) 2.7 0.7 1.2
assign (resid  94 and  name O    )(resid  98  and  name HN ) 2.5 0.7 0.2
assign (resid  94 and  name O    )(resid  98  and  name N  ) 2.7 0.7 1.2
assign (resid  94 and  name O    )(resid  97  and  name HN ) 2.5 0.7 0.2
assign (resid  94 and  name O    )(resid  97  and  name N  ) 2.7 0.7 1.2
assign (resid  95 and  name O    )(resid  99  and  name HN ) 2.5 0.7 0.2
assign (resid  95 and  name O    )(resid  99  and  name N  ) 2.7 0.7 1.2
set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    HIS   1           H        HIS   1   6.954   9.422 -10.349
    2    HA   HIS   1           HA       HIS   1   4.150   8.999 -11.124
    3   1HB   HIS   1          1HB       HIS   1   5.928   7.436 -12.073
    4   2HB   HIS   1          2HB       HIS   1   6.366   7.040 -10.423
    5    HD1  HIS   1           HD1      HIS   1   4.262   5.917 -13.151
    6    HD2  HIS   1           HD2      HIS   1   4.188   5.718  -9.007
    7    HE1  HIS   1           HE1      HIS   1   2.700   4.050 -12.580
    8    H    MET   2           H        MET   2   2.919   9.518  -9.350
    9    HA   MET   2           HA       MET   2   3.227   8.383  -6.790
   10   1HB   MET   2          1HB       MET   2   3.719  10.438  -5.509
   11   2HB   MET   2          2HB       MET   2   5.103   9.847  -6.430
   12   1HG   MET   2          1HG       MET   2   4.619  11.516  -8.144
   13   2HG   MET   2          2HG       MET   2   3.278  12.108  -7.166
   14   1HE   MET   2          1HE       MET   2   4.356  14.572  -7.380
   15   2HE   MET   2          2HE       MET   2   5.732  13.937  -8.279
   16   3HE   MET   2          3HE       MET   2   5.998  14.975  -6.879
   17    H    THR   3           H        THR   3   1.487   8.801  -5.495
   18    HA   THR   3           HA       THR   3  -0.321  10.957  -6.154
   19    HB   THR   3           HB       THR   3  -1.242   8.071  -6.119
   20    HG1  THR   3           HG1      THR   3  -0.377   9.744  -8.071
   21   1HG2  THR   3          1HG2      THR   3  -2.788  10.636  -6.598
   22   2HG2  THR   3          2HG2      THR   3  -2.923   9.599  -5.179
   23   3HG2  THR   3          3HG2      THR   3  -3.453   9.011  -6.751
   24    H    PHE   4           H        PHE   4  -1.165  11.810  -4.369
   25    HA   PHE   4           HA       PHE   4  -0.788  10.380  -1.833
   26   1HB   PHE   4          1HB       PHE   4  -0.850  13.363  -2.331
   27   2HB   PHE   4          2HB       PHE   4  -0.449  12.542  -0.814
   28    HD1  PHE   4           HD1      PHE   4   1.644  11.370  -0.557
   29    HD2  PHE   4           HD2      PHE   4   0.751  13.420  -4.161
   30    HE1  PHE   4           HE1      PHE   4   3.974  11.080  -1.298
   31    HE2  PHE   4           HE2      PHE   4   3.067  13.149  -4.900
   32    HZ   PHE   4           HZ       PHE   4   4.670  11.946  -3.486
   33    H    CYS   5           H        CYS   5  -3.135  10.895  -3.911
   34    HA   CYS   5           HA       CYS   5  -5.171  12.045  -2.270
   35   1HB   CYS   5          1HB       CYS   5  -5.319  10.629  -4.928
   36   2HB   CYS   5          2HB       CYS   5  -6.520  11.707  -4.230
   37    HG   CYS   5           HG       CYS   5  -5.397  13.096  -6.280
   38    H    LEU   6           H        LEU   6  -6.039  10.802  -0.760
   39    HA   LEU   6           HA       LEU   6  -6.114   7.931  -1.164
   40   1HB   LEU   6          1HB       LEU   6  -6.676   8.049   1.420
   41   2HB   LEU   6          2HB       LEU   6  -5.040   8.092   0.827
   42    HG   LEU   6           HG       LEU   6  -5.149  10.625   1.055
   43   1HD1  LEU   6          1HD1      LEU   6  -7.658  10.001   2.588
   44   2HD1  LEU   6          2HD1      LEU   6  -7.445  11.183   1.274
   45   3HD1  LEU   6          3HD1      LEU   6  -6.701  11.449   2.832
   46   1HD2  LEU   6          1HD2      LEU   6  -3.908   9.331   2.595
   47   2HD2  LEU   6          2HD2      LEU   6  -5.368   8.935   3.496
   48   3HD2  LEU   6          3HD2      LEU   6  -4.773  10.593   3.465
   49    H    GLU   7           H        GLU   7  -8.151  10.508  -0.005
   50    HA   GLU   7           HA       GLU   7 -10.508   8.993   0.405
   51   1HB   GLU   7          1HB       GLU   7  -9.871  11.032   1.609
   52   2HB   GLU   7          2HB       GLU   7  -9.995  11.950   0.128
   53   1HG   GLU   7          1HG       GLU   7 -12.388  11.379   0.057
   54   2HG   GLU   7          2HG       GLU   7 -12.212  10.643   1.657
   55    H    THR   8           H        THR   8  -8.978  10.254  -2.375
   56    HA   THR   8           HA       THR   8 -11.270  10.878  -3.897
   57    HB   THR   8           HB       THR   8  -9.556  10.691  -5.761
   58    HG1  THR   8           HG1      THR   8  -7.945   9.488  -5.072
   59   1HG2  THR   8          1HG2      THR   8  -8.395  12.751  -5.063
   60   2HG2  THR   8          2HG2      THR   8  -8.942  12.494  -3.406
   61   3HG2  THR   8          3HG2      THR   8 -10.113  12.833  -4.676
   62    H    TYR   9           H        TYR   9  -9.515   7.973  -3.067
   63    HA   TYR   9           HA       TYR   9 -10.420   6.452  -5.302
   64   1HB   TYR   9          1HB       TYR   9  -8.534   6.023  -3.252
   65   2HB   TYR   9          2HB       TYR   9  -9.807   4.858  -2.962
   66    HD1  TYR   9           HD1      TYR   9  -6.784   5.193  -4.557
   67    HD2  TYR   9           HD2      TYR   9 -10.722   3.770  -5.301
   68    HE1  TYR   9           HE1      TYR   9  -5.918   3.742  -6.343
   69    HE2  TYR   9           HE2      TYR   9  -9.870   2.312  -7.077
   70    HH   TYR   9           HH       TYR   9  -6.663   1.551  -7.450
   71    H    LEU  10           H        LEU  10 -11.487   7.146  -2.095
   72    HA   LEU  10           HA       LEU  10 -13.561   5.296  -1.815
   73   1HB   LEU  10          1HB       LEU  10 -12.553   6.866  -0.077
   74   2HB   LEU  10          2HB       LEU  10 -13.483   8.150  -0.795
   75    HG   LEU  10           HG       LEU  10 -14.678   5.722   0.576
   76   1HD1  LEU  10          1HD1      LEU  10 -14.287   8.536   1.579
   77   2HD1  LEU  10          2HD1      LEU  10 -13.411   7.112   2.126
   78   3HD1  LEU  10          3HD1      LEU  10 -15.143   7.250   2.427
   79   1HD2  LEU  10          1HD2      LEU  10 -15.954   8.331  -0.276
   80   2HD2  LEU  10          2HD2      LEU  10 -16.746   7.028   0.610
   81   3HD2  LEU  10          3HD2      LEU  10 -16.206   6.764  -1.048
   82    H    GLN  11           H        GLN  11 -13.353   8.472  -3.301
   83    HA   GLN  11           HA       GLN  11 -16.088   8.875  -3.951
   84   1HB   GLN  11          1HB       GLN  11 -13.592  10.006  -5.196
   85   2HB   GLN  11          2HB       GLN  11 -15.220  10.585  -5.499
   86   1HG   GLN  11          1HG       GLN  11 -15.436  11.285  -3.211
   87   2HG   GLN  11          2HG       GLN  11 -13.859  10.587  -2.830
   88   1HE2  GLN  11          1HE2      GLN  11 -13.076  12.546  -2.166
   89   2HE2  GLN  11          2HE2      GLN  11 -12.679  13.811  -3.274
   90    H    GLN  12           H        GLN  12 -13.651   6.947  -5.281
   91    HA   GLN  12           HA       GLN  12 -14.944   6.858  -7.837
   92   1HB   GLN  12          1HB       GLN  12 -12.360   5.684  -6.855
   93   2HB   GLN  12          2HB       GLN  12 -13.009   5.366  -8.460
   94   1HG   GLN  12          1HG       GLN  12 -12.882   7.676  -9.041
   95   2HG   GLN  12          2HG       GLN  12 -12.452   8.108  -7.389
   96   1HE2  GLN  12          1HE2      GLN  12 -11.114   8.558  -9.920
   97   2HE2  GLN  12          2HE2      GLN  12  -9.526   7.927  -9.750
   98    H    SER  13           H        SER  13 -14.138   4.735  -5.121
   99    HA   SER  13           HA       SER  13 -16.299   2.982  -5.895
  100   1HB   SER  13          1HB       SER  13 -13.474   1.909  -5.660
  101   2HB   SER  13          2HB       SER  13 -14.934   0.962  -5.950
  102    HG   SER  13           HG       SER  13 -14.952   2.787  -7.786
  103    H    GLY  14           H        GLY  14 -13.446   2.842  -3.770
  104   1HA   GLY  14          1HA       GLY  14 -15.115   2.977  -1.438
  105   2HA   GLY  14          2HA       GLY  14 -14.377   1.402  -1.722
  106    H    GLU  15           H        GLU  15 -13.795   2.814   0.517
  107    HA   GLU  15           HA       GLU  15 -11.351   4.307   0.128
  108   1HB   GLU  15          1HB       GLU  15 -13.115   5.009   1.744
  109   2HB   GLU  15          2HB       GLU  15 -12.839   3.534   2.648
  110   1HG   GLU  15          1HG       GLU  15 -11.784   5.524   3.631
  111   2HG   GLU  15          2HG       GLU  15 -10.630   4.245   3.239
  112    H    TYR  16           H        TYR  16  -9.366   3.687   1.135
  113    HA   TYR  16           HA       TYR  16  -9.118   0.941   2.109
  114   1HB   TYR  16          1HB       TYR  16  -8.963   0.880  -0.410
  115   2HB   TYR  16          2HB       TYR  16  -7.512   1.860  -0.279
  116    HD1  TYR  16           HD1      TYR  16  -8.953  -1.299   1.007
  117    HD2  TYR  16           HD2      TYR  16  -5.443   0.746  -0.237
  118    HE1  TYR  16           HE1      TYR  16  -7.684  -3.364   1.225
  119    HE2  TYR  16           HE2      TYR  16  -4.153  -1.343  -0.015
  120    HH   TYR  16           HH       TYR  16  -5.751  -4.284   0.261
  121    H    GLU  17           H        GLU  17  -8.597   3.881   2.826
  122    HA   GLU  17           HA       GLU  17  -5.919   3.644   3.869
  123   1HB   GLU  17          1HB       GLU  17  -6.937   5.991   2.241
  124   2HB   GLU  17          2HB       GLU  17  -5.367   5.865   2.992
  125   1HG   GLU  17          1HG       GLU  17  -6.228   3.997   0.791
  126   2HG   GLU  17          2HG       GLU  17  -5.548   5.578   0.446
  127    H    ILE  18           H        ILE  18  -5.746   5.611   5.409
  128    HA   ILE  18           HA       ILE  18  -8.412   6.289   6.355
  129    HB   ILE  18           HB       ILE  18  -7.128   5.129   8.140
  130   1HG1  ILE  18          1HG1      ILE  18  -7.572   8.049   8.809
  131   2HG1  ILE  18          2HG1      ILE  18  -8.814   6.805   8.790
  132   1HG2  ILE  18          1HG2      ILE  18  -4.889   5.597   7.722
  133   2HG2  ILE  18          2HG2      ILE  18  -5.242   6.418   9.250
  134   3HG2  ILE  18          3HG2      ILE  18  -5.160   7.338   7.752
  135   1HD1  ILE  18          1HD1      ILE  18  -8.077   7.333  11.055
  136   2HD1  ILE  18          2HD1      ILE  18  -6.427   6.876  10.621
  137   3HD1  ILE  18          3HD1      ILE  18  -7.704   5.662  10.630
  138    H    HIS  19           H        HIS  19  -8.845   8.459   6.998
  139    HA   HIS  19           HA       HIS  19  -7.883  10.262   5.029
  140   1HB   HIS  19          1HB       HIS  19  -9.637  10.929   7.419
  141   2HB   HIS  19          2HB       HIS  19  -9.442  11.898   5.965
  142    HD1  HIS  19           HD1      HIS  19 -11.156  11.383   4.025
  143    HD2  HIS  19           HD2      HIS  19 -11.025   8.456   6.999
  144    HE1  HIS  19           HE1      HIS  19 -12.996   9.778   3.523
  145    H    MET  20           H        MET  20  -5.798   9.888   5.755
  146    HA   MET  20           HA       MET  20  -4.749  11.902   7.648
  147   1HB   MET  20          1HB       MET  20  -4.011   9.083   7.099
  148   2HB   MET  20          2HB       MET  20  -2.721  10.158   7.617
  149   1HG   MET  20          1HG       MET  20  -5.287   9.595   9.099
  150   2HG   MET  20          2HG       MET  20  -3.745   8.804   9.415
  151   1HE   MET  20          1HE       MET  20  -1.559  11.724  10.817
  152   2HE   MET  20          2HE       MET  20  -1.631  11.170   9.148
  153   3HE   MET  20          3HE       MET  20  -1.637   9.998  10.467
  154    H    LYS  21           H        LYS  21  -2.567  10.124   5.772
  155    HA   LYS  21           HA       LYS  21  -2.518  11.863   3.480
  156   1HB   LYS  21          1HB       LYS  21  -1.281  13.139   5.222
  157   2HB   LYS  21          2HB       LYS  21  -0.201  11.769   5.430
  158   1HG   LYS  21          1HG       LYS  21   0.442  12.022   3.017
  159   2HG   LYS  21          2HG       LYS  21  -0.489  13.520   2.995
  160   1HD   LYS  21          1HD       LYS  21   1.852  12.928   4.812
  161   2HD   LYS  21          2HD       LYS  21   1.899  13.928   3.374
  162   1HE   LYS  21          1HE       LYS  21   0.427  15.552   4.375
  163   2HE   LYS  21          2HE       LYS  21   0.146  14.484   5.753
  164   1HZ   LYS  21          1HZ       LYS  21   2.812  15.544   5.055
  165   2HZ   LYS  21          2HZ       LYS  21   2.312  14.772   6.511
  166   3HZ   LYS  21          3HZ       LYS  21   1.753  16.308   6.129
  167    H    ARG  22           H        ARG  22  -1.953  10.498   1.842
  168    HA   ARG  22           HA       ARG  22  -0.554   8.029   2.629
  169   1HB   ARG  22          1HB       ARG  22  -1.843   6.831   1.084
  170   2HB   ARG  22          2HB       ARG  22  -2.955   8.117   1.406
  171   1HG   ARG  22          1HG       ARG  22  -2.360   9.259  -0.601
  172   2HG   ARG  22          2HG       ARG  22  -1.033   8.135  -0.898
  173   1HD   ARG  22          1HD       ARG  22  -3.982   7.628  -1.007
  174   2HD   ARG  22          2HD       ARG  22  -2.793   7.482  -2.301
  175    HE   ARG  22           HE       ARG  22  -3.069   5.650   0.001
  176   1HH1  ARG  22          1HH1      ARG  22  -1.714   6.178  -3.259
  177   2HH1  ARG  22          2HH1      ARG  22  -1.337   4.502  -3.419
  178   1HH2  ARG  22          1HH2      ARG  22  -2.620   3.474  -0.359
  179   2HH2  ARG  22          2HH2      ARG  22  -1.727   3.023  -1.790
  180    H    ALA  23           H        ALA  23   1.339   7.537   1.552
  181    HA   ALA  23           HA       ALA  23   2.167   9.494  -0.458
  182   1HB   ALA  23          1HB       ALA  23   4.477   9.052   0.258
  183   2HB   ALA  23          2HB       ALA  23   3.881   7.958   1.505
  184   3HB   ALA  23          3HB       ALA  23   3.511   9.680   1.593
  185    H    GLY  24           H        GLY  24   1.410   8.333  -2.183
  186   1HA   GLY  24          1HA       GLY  24   2.425   5.577  -2.343
  187   2HA   GLY  24          2HA       GLY  24   0.999   6.164  -3.189
  188    H    PHE  25           H        PHE  25   4.558   6.482  -3.000
  189    HA   PHE  25           HA       PHE  25   4.633   7.895  -5.454
  190   1HB   PHE  25          1HB       PHE  25   6.837   6.450  -3.961
  191   2HB   PHE  25          2HB       PHE  25   7.093   7.443  -5.388
  192    HD1  PHE  25           HD1      PHE  25   6.281   7.456  -1.817
  193    HD2  PHE  25           HD2      PHE  25   6.963   9.843  -5.261
  194    HE1  PHE  25           HE1      PHE  25   6.521   9.438  -0.391
  195    HE2  PHE  25           HE2      PHE  25   7.205  11.831  -3.839
  196    HZ   PHE  25           HZ       PHE  25   6.983  11.628  -1.395
  197    H    ARG  26           H        ARG  26   6.116   4.760  -4.823
  198    HA   ARG  26           HA       ARG  26   5.758   4.064  -7.598
  199   1HB   ARG  26          1HB       ARG  26   6.802   2.449  -5.306
  200   2HB   ARG  26          2HB       ARG  26   6.818   1.938  -6.987
  201   1HG   ARG  26          1HG       ARG  26   8.182   4.402  -5.971
  202   2HG   ARG  26          2HG       ARG  26   8.947   2.817  -6.097
  203   1HD   ARG  26          1HD       ARG  26   8.510   2.799  -8.501
  204   2HD   ARG  26          2HD       ARG  26   7.713   4.368  -8.378
  205    HE   ARG  26           HE       ARG  26  10.067   4.917  -7.350
  206   1HH1  ARG  26          1HH1      ARG  26   9.322   3.083 -10.283
  207   2HH1  ARG  26          2HH1      ARG  26  10.699   3.623 -11.132
  208   1HH2  ARG  26          1HH2      ARG  26  11.976   5.630  -8.521
  209   2HH2  ARG  26          2HH2      ARG  26  12.218   5.113 -10.116
  210    H    GLU  27           H        GLU  27   4.159   3.227  -4.513
  211    HA   GLU  27           HA       GLU  27   2.796   1.007  -5.569
  212   1HB   GLU  27          1HB       GLU  27   3.203   1.446  -3.167
  213   2HB   GLU  27          2HB       GLU  27   2.064   2.774  -3.221
  214   1HG   GLU  27          1HG       GLU  27   1.296  -0.076  -3.788
  215   2HG   GLU  27          2HG       GLU  27   1.345   0.562  -2.164
  216    H    CYS  28           H        CYS  28   2.481   4.308  -6.094
  217    HA   CYS  28           HA       CYS  28  -0.165   4.729  -6.571
  218   1HB   CYS  28          1HB       CYS  28   1.351   6.564  -6.958
  219   2HB   CYS  28          2HB       CYS  28   2.203   5.699  -8.215
  220    HG   CYS  28           HG       CYS  28  -0.512   7.632  -8.422
  221    H    ALA  29           H        ALA  29   2.076   2.902  -8.639
  222    HA   ALA  29           HA       ALA  29   0.207   2.421 -10.749
  223   1HB   ALA  29          1HB       ALA  29   2.691   0.888 -10.062
  224   2HB   ALA  29          2HB       ALA  29   2.632   2.302 -11.114
  225   3HB   ALA  29          3HB       ALA  29   1.810   0.813 -11.587
  226    H    ALA  30           H        ALA  30   1.283   0.643  -7.944
  227    HA   ALA  30           HA       ALA  30  -0.062  -1.733  -8.398
  228   1HB   ALA  30          1HB       ALA  30   0.333  -2.222  -6.103
  229   2HB   ALA  30          2HB       ALA  30   0.475  -0.511  -5.729
  230   3HB   ALA  30          3HB       ALA  30   1.725  -1.290  -6.690
  231    H    MET  31           H        MET  31  -1.056   1.125  -6.580
  232    HA   MET  31           HA       MET  31  -3.435   0.147  -5.542
  233   1HB   MET  31          1HB       MET  31  -4.233   2.421  -5.222
  234   2HB   MET  31          2HB       MET  31  -2.514   2.353  -4.878
  235   1HG   MET  31          1HG       MET  31  -2.023   3.320  -7.032
  236   2HG   MET  31          2HG       MET  31  -3.731   3.317  -7.441
  237   1HE   MET  31          1HE       MET  31  -1.890   5.812  -7.761
  238   2HE   MET  31          2HE       MET  31  -2.958   7.074  -7.149
  239   3HE   MET  31          3HE       MET  31  -3.608   5.769  -8.142
  240    H    ILE  32           H        ILE  32  -2.921   1.525  -8.719
  241    HA   ILE  32           HA       ILE  32  -5.619   1.582  -9.517
  242    HB   ILE  32           HB       ILE  32  -3.109   1.181 -11.150
  243   1HG1  ILE  32          1HG1      ILE  32  -3.045   3.270  -9.919
  244   2HG1  ILE  32          2HG1      ILE  32  -3.270   3.601 -11.630
  245   1HG2  ILE  32          1HG2      ILE  32  -4.418   2.022 -13.089
  246   2HG2  ILE  32          2HG2      ILE  32  -5.876   1.977 -12.093
  247   3HG2  ILE  32          3HG2      ILE  32  -5.014   0.484 -12.473
  248   1HD1  ILE  32          1HD1      ILE  32  -5.406   3.693  -9.505
  249   2HD1  ILE  32          2HD1      ILE  32  -5.659   3.989 -11.224
  250   3HD1  ILE  32          3HD1      ILE  32  -4.635   5.075 -10.285
  251    H    GLU  33           H        GLU  33  -3.192  -0.943  -9.684
  252    HA   GLU  33           HA       GLU  33  -4.906  -2.783 -11.067
  253   1HB   GLU  33          1HB       GLU  33  -2.149  -3.043  -9.865
  254   2HB   GLU  33          2HB       GLU  33  -2.981  -4.335 -10.713
  255   1HG   GLU  33          1HG       GLU  33  -2.345  -1.675 -11.927
  256   2HG   GLU  33          2HG       GLU  33  -1.376  -3.140 -12.127
  257    H    LYS  34           H        LYS  34  -4.036  -2.112  -7.795
  258    HA   LYS  34           HA       LYS  34  -4.734  -4.516  -6.523
  259   1HB   LYS  34          1HB       LYS  34  -4.442  -1.690  -5.701
  260   2HB   LYS  34          2HB       LYS  34  -5.165  -2.836  -4.585
  261   1HG   LYS  34          1HG       LYS  34  -3.209  -4.077  -4.404
  262   2HG   LYS  34          2HG       LYS  34  -2.517  -3.374  -5.864
  263   1HD   LYS  34          1HD       LYS  34  -1.645  -2.589  -3.577
  264   2HD   LYS  34          2HD       LYS  34  -1.967  -1.380  -4.808
  265   1HE   LYS  34          1HE       LYS  34  -4.166  -0.915  -3.758
  266   2HE   LYS  34          2HE       LYS  34  -3.844  -2.112  -2.511
  267   1HZ   LYS  34          1HZ       LYS  34  -2.027  -0.717  -1.712
  268   2HZ   LYS  34          2HZ       LYS  34  -3.376   0.315  -1.892
  269   3HZ   LYS  34          3HZ       LYS  34  -2.170   0.242  -3.060
  270    H    LYS  35           H        LYS  35  -6.600  -1.970  -7.794
  271    HA   LYS  35           HA       LYS  35  -8.934  -2.239  -6.241
  272   1HB   LYS  35          1HB       LYS  35  -8.458  -0.283  -7.611
  273   2HB   LYS  35          2HB       LYS  35  -8.540  -1.277  -9.058
  274   1HG   LYS  35          1HG       LYS  35 -10.916  -1.739  -8.552
  275   2HG   LYS  35          2HG       LYS  35 -10.811  -0.625  -7.190
  276   1HD   LYS  35          1HD       LYS  35 -11.780   0.480  -9.102
  277   2HD   LYS  35          2HD       LYS  35 -10.182   1.169  -8.754
  278   1HE   LYS  35          1HE       LYS  35  -9.231  -0.229 -10.560
  279   2HE   LYS  35          2HE       LYS  35 -10.847  -0.850 -10.897
  280   1HZ   LYS  35          1HZ       LYS  35  -9.951   1.960 -11.145
  281   2HZ   LYS  35          2HZ       LYS  35 -11.524   1.410 -11.422
  282   3HZ   LYS  35          3HZ       LYS  35 -10.268   0.889 -12.406
  283    H    ALA  36           H        ALA  36  -7.600  -4.067  -8.873
  284    HA   ALA  36           HA       ALA  36 -10.060  -5.111  -9.795
  285   1HB   ALA  36          1HB       ALA  36  -8.169  -4.873 -11.314
  286   2HB   ALA  36          2HB       ALA  36  -8.675  -6.561 -11.224
  287   3HB   ALA  36          3HB       ALA  36  -7.241  -6.023 -10.355
  288    H    ARG  37           H        ARG  37  -7.288  -6.561  -8.150
  289    HA   ARG  37           HA       ARG  37  -9.102  -8.386  -6.764
  290   1HB   ARG  37          1HB       ARG  37  -6.715  -9.261  -8.408
  291   2HB   ARG  37          2HB       ARG  37  -7.471 -10.289  -7.216
  292   1HG   ARG  37          1HG       ARG  37  -9.503 -10.352  -8.529
  293   2HG   ARG  37          2HG       ARG  37  -8.828  -9.184  -9.669
  294   1HD   ARG  37          1HD       ARG  37  -8.670 -11.504 -10.513
  295   2HD   ARG  37          2HD       ARG  37  -7.093 -10.752 -10.311
  296    HE   ARG  37           HE       ARG  37  -7.813 -12.198  -7.992
  297   1HH1  ARG  37          1HH1      ARG  37  -6.754 -12.763 -11.328
  298   2HH1  ARG  37          2HH1      ARG  37  -5.917 -14.188 -10.999
  299   1HH2  ARG  37          1HH2      ARG  37  -6.618 -14.186  -7.507
  300   2HH2  ARG  37          2HH2      ARG  37  -5.829 -15.025  -8.750
  301    H    ARG  38           H        ARG  38  -5.680  -8.406  -7.221
  302    HA   ARG  38           HA       ARG  38  -4.817  -7.121  -4.944
  303   1HB   ARG  38          1HB       ARG  38  -3.930  -9.078  -3.721
  304   2HB   ARG  38          2HB       ARG  38  -5.696  -9.102  -3.812
  305   1HG   ARG  38          1HG       ARG  38  -5.592 -10.824  -5.501
  306   2HG   ARG  38          2HG       ARG  38  -3.825 -10.785  -5.445
  307   1HD   ARG  38          1HD       ARG  38  -4.601 -12.605  -4.039
  308   2HD   ARG  38          2HD       ARG  38  -3.923 -11.303  -3.060
  309    HE   ARG  38           HE       ARG  38  -6.807 -11.400  -3.462
  310   1HH1  ARG  38          1HH1      ARG  38  -4.069 -11.752  -1.259
  311   2HH1  ARG  38          2HH1      ARG  38  -4.967 -11.669   0.167
  312   1HH2  ARG  38          1HH2      ARG  38  -8.105 -11.344  -1.562
  313   2HH2  ARG  38          2HH2      ARG  38  -7.401 -11.461  -0.015
  314    H    VAL  39           H        VAL  39  -2.886  -6.458  -5.568
  315    HA   VAL  39           HA       VAL  39  -1.522  -8.084  -7.544
  316    HB   VAL  39           HB       VAL  39  -2.209  -5.168  -7.843
  317   1HG1  VAL  39          1HG1      VAL  39  -0.326  -6.809  -9.574
  318   2HG1  VAL  39          2HG1      VAL  39   0.134  -5.449  -8.553
  319   3HG1  VAL  39          3HG1      VAL  39  -0.897  -5.186  -9.960
  320   1HG2  VAL  39          1HG2      VAL  39  -3.201  -5.995 -10.025
  321   2HG2  VAL  39          2HG2      VAL  39  -3.947  -6.638  -8.575
  322   3HG2  VAL  39          3HG2      VAL  39  -2.809  -7.620  -9.480
  323    H    VAL  40           H        VAL  40   0.601  -8.014  -7.559
  324    HA   VAL  40           HA       VAL  40   1.842  -6.716  -5.304
  325    HB   VAL  40           HB       VAL  40   2.262  -9.137  -5.423
  326   1HG1  VAL  40          1HG1      VAL  40   3.455 -10.176  -7.280
  327   2HG1  VAL  40          2HG1      VAL  40   3.409  -8.650  -8.162
  328   3HG1  VAL  40          3HG1      VAL  40   1.909  -9.500  -7.790
  329   1HG2  VAL  40          1HG2      VAL  40   4.115  -7.768  -4.580
  330   2HG2  VAL  40          2HG2      VAL  40   4.751  -7.614  -6.216
  331   3HG2  VAL  40          3HG2      VAL  40   4.715  -9.192  -5.431
  332    H    HIS  41           H        HIS  41   3.520  -5.260  -5.569
  333    HA   HIS  41           HA       HIS  41   4.066  -4.546  -8.330
  334   1HB   HIS  41          1HB       HIS  41   2.522  -2.965  -7.247
  335   2HB   HIS  41          2HB       HIS  41   3.693  -2.669  -5.971
  336    HD1  HIS  41           HD1      HIS  41   2.973  -1.798  -9.632
  337    HD2  HIS  41           HD2      HIS  41   5.627  -0.809  -6.583
  338    HE1  HIS  41           HE1      HIS  41   4.483  -0.024 -10.539
  339    H    ILE  42           H        ILE  42   6.128  -4.621  -8.788
  340    HA   ILE  42           HA       ILE  42   8.000  -5.120  -6.651
  341    HB   ILE  42           HB       ILE  42   8.167  -6.587  -8.601
  342   1HG1  ILE  42          1HG1      ILE  42  10.517  -4.685  -8.482
  343   2HG1  ILE  42          2HG1      ILE  42  10.241  -6.046  -7.406
  344   1HG2  ILE  42          1HG2      ILE  42   8.836  -5.766 -10.825
  345   2HG2  ILE  42          2HG2      ILE  42   8.646  -4.110 -10.247
  346   3HG2  ILE  42          3HG2      ILE  42   7.248  -5.182 -10.326
  347   1HD1  ILE  42          1HD1      ILE  42  11.909  -6.560  -9.078
  348   2HD1  ILE  42          2HD1      ILE  42  10.754  -6.195 -10.360
  349   3HD1  ILE  42          3HD1      ILE  42  10.479  -7.571  -9.290
  350    H    LYS  43           H        LYS  43   9.568  -3.773  -6.037
  351    HA   LYS  43           HA       LYS  43  10.643  -1.875  -5.617
  352   1HB   LYS  43          1HB       LYS  43   9.978  -1.093  -8.464
  353   2HB   LYS  43          2HB       LYS  43  10.934  -0.096  -7.394
  354   1HG   LYS  43          1HG       LYS  43  12.567  -1.981  -7.244
  355   2HG   LYS  43          2HG       LYS  43  11.631  -2.795  -8.503
  356   1HD   LYS  43          1HD       LYS  43  11.984  -0.919 -10.010
  357   2HD   LYS  43          2HD       LYS  43  12.861  -0.053  -8.750
  358   1HE   LYS  43          1HE       LYS  43  14.517  -1.885  -8.709
  359   2HE   LYS  43          2HE       LYS  43  13.667  -2.643 -10.053
  360   1HZ   LYS  43          1HZ       LYS  43  14.962   0.032 -10.102
  361   2HZ   LYS  43          2HZ       LYS  43  14.119  -0.658 -11.384
  362   3HZ   LYS  43          3HZ       LYS  43  15.530  -1.373 -10.839
  363    HA   PRO  44           HA       PRO  44   6.646   0.294  -4.962
  364   1HB   PRO  44          1HB       PRO  44   6.512  -0.568  -2.241
  365   2HB   PRO  44          2HB       PRO  44   5.428  -0.998  -3.556
  366   1HG   PRO  44          1HG       PRO  44   7.207  -2.713  -2.269
  367   2HG   PRO  44          2HG       PRO  44   6.388  -3.017  -3.812
  368   1HD   PRO  44          1HD       PRO  44   9.153  -2.203  -3.257
  369   2HD   PRO  44          2HD       PRO  44   8.446  -3.111  -4.612
  370    H    GLY  45           H        GLY  45   6.404   2.205  -3.564
  371   1HA   GLY  45          1HA       GLY  45   8.690   2.967  -1.898
  372   2HA   GLY  45          2HA       GLY  45   8.509   3.873  -3.408
  373    H    GLU  46           H        GLU  46   5.994   2.570  -1.463
  374    HA   GLU  46           HA       GLU  46   4.898   5.229  -1.126
  375   1HB   GLU  46          1HB       GLU  46   2.815   4.121  -1.231
  376   2HB   GLU  46          2HB       GLU  46   3.846   3.238  -2.259
  377   1HG   GLU  46          1HG       GLU  46   3.311   2.330   0.562
  378   2HG   GLU  46          2HG       GLU  46   2.478   1.726  -0.867
  379    H    LYS  47           H        LYS  47   3.572   5.345   0.818
  380    HA   LYS  47           HA       LYS  47   4.161   3.817   3.117
  381   1HB   LYS  47          1HB       LYS  47   5.621   6.197   2.720
  382   2HB   LYS  47          2HB       LYS  47   4.345   6.600   3.865
  383   1HG   LYS  47          1HG       LYS  47   6.311   4.377   4.098
  384   2HG   LYS  47          2HG       LYS  47   6.381   5.882   5.012
  385   1HD   LYS  47          1HD       LYS  47   4.258   5.284   6.111
  386   2HD   LYS  47          2HD       LYS  47   4.161   3.831   5.138
  387   1HE   LYS  47          1HE       LYS  47   6.373   3.123   6.132
  388   2HE   LYS  47          2HE       LYS  47   6.228   4.479   7.245
  389   1HZ   LYS  47          1HZ       LYS  47   5.508   2.377   8.198
  390   2HZ   LYS  47          2HZ       LYS  47   4.322   2.200   7.034
  391   3HZ   LYS  47          3HZ       LYS  47   4.211   3.438   8.170
  392    H    ILE  48           H        ILE  48   2.138   3.367   3.411
  393    HA   ILE  48           HA       ILE  48   0.215   5.415   2.812
  394    HB   ILE  48           HB       ILE  48  -1.497   3.637   2.931
  395   1HG1  ILE  48          1HG1      ILE  48   0.881   1.769   3.254
  396   2HG1  ILE  48          2HG1      ILE  48  -0.337   2.080   4.482
  397   1HG2  ILE  48          1HG2      ILE  48   0.835   3.134   1.090
  398   2HG2  ILE  48          2HG2      ILE  48  -0.492   4.266   0.820
  399   3HG2  ILE  48          3HG2      ILE  48  -0.803   2.530   0.841
  400   1HD1  ILE  48          1HD1      ILE  48  -2.038   1.084   3.040
  401   2HD1  ILE  48          2HD1      ILE  48  -0.720  -0.045   3.368
  402   3HD1  ILE  48          3HD1      ILE  48  -0.813   0.776   1.810
  403    H    LEU  49           H        LEU  49  -0.113   6.747   4.243
  404    HA   LEU  49           HA       LEU  49  -0.895   7.842   6.023
  405   1HB   LEU  49          1HB       LEU  49  -2.008   5.265   7.098
  406   2HB   LEU  49          2HB       LEU  49  -2.536   6.885   7.459
  407    HG   LEU  49           HG       LEU  49  -4.213   6.262   6.096
  408   1HD1  LEU  49          1HD1      LEU  49  -2.284   7.199   4.069
  409   2HD1  LEU  49          2HD1      LEU  49  -3.355   8.165   5.081
  410   3HD1  LEU  49          3HD1      LEU  49  -4.031   7.082   3.869
  411   1HD2  LEU  49          1HD2      LEU  49  -4.047   4.692   4.196
  412   2HD2  LEU  49          2HD2      LEU  49  -3.535   3.994   5.730
  413   3HD2  LEU  49          3HD2      LEU  49  -2.328   4.508   4.551
  414    H    GLY  50           H        GLY  50   1.451   5.689   6.362
  415   1HA   GLY  50          1HA       GLY  50   3.199   5.883   7.976
  416   2HA   GLY  50          2HA       GLY  50   2.017   6.531   9.122
  417    H    ALA  51           H        ALA  51  -0.013   4.706   8.661
  418    HA   ALA  51           HA       ALA  51   1.005   2.069   9.347
  419   1HB   ALA  51          1HB       ALA  51  -0.727   1.913  11.122
  420   2HB   ALA  51          2HB       ALA  51  -1.121   3.613  10.866
  421   3HB   ALA  51          3HB       ALA  51   0.467   3.160  11.487
  422    H    ARG  52           H        ARG  52  -0.352   0.469   8.460
  423    HA   ARG  52           HA       ARG  52  -2.019   1.411   6.330
  424   1HB   ARG  52          1HB       ARG  52  -0.616  -0.549   5.990
  425   2HB   ARG  52          2HB       ARG  52  -1.466  -1.396   7.273
  426   1HG   ARG  52          1HG       ARG  52  -3.549  -1.248   5.940
  427   2HG   ARG  52          2HG       ARG  52  -2.616  -0.527   4.631
  428   1HD   ARG  52          1HD       ARG  52  -1.231  -2.520   4.501
  429   2HD   ARG  52          2HD       ARG  52  -2.116  -3.234   5.850
  430    HE   ARG  52           HE       ARG  52  -3.457  -2.506   3.346
  431   1HH1  ARG  52          1HH1      ARG  52  -2.657  -4.941   5.815
  432   2HH1  ARG  52          2HH1      ARG  52  -3.644  -6.137   5.192
  433   1HH2  ARG  52          1HH2      ARG  52  -4.829  -4.222   2.424
  434   2HH2  ARG  52          2HH2      ARG  52  -4.955  -5.716   3.252
  435    H    ILE  53           H        ILE  53  -3.931   2.260   6.889
  436    HA   ILE  53           HA       ILE  53  -5.745   0.551   8.420
  437    HB   ILE  53           HB       ILE  53  -5.781   3.571   8.241
  438   1HG1  ILE  53          1HG1      ILE  53  -4.925   1.800  10.566
  439   2HG1  ILE  53          2HG1      ILE  53  -3.859   2.808   9.603
  440   1HG2  ILE  53          1HG2      ILE  53  -7.422   1.650   9.919
  441   2HG2  ILE  53          2HG2      ILE  53  -7.999   2.578   8.538
  442   3HG2  ILE  53          3HG2      ILE  53  -7.518   3.408  10.017
  443   1HD1  ILE  53          1HD1      ILE  53  -4.320   3.791  11.776
  444   2HD1  ILE  53          2HD1      ILE  53  -6.049   3.789  11.422
  445   3HD1  ILE  53          3HD1      ILE  53  -4.955   4.802  10.479
  446    H    ILE  54           H        ILE  54  -7.245  -0.155   7.097
  447    HA   ILE  54           HA       ILE  54  -7.565   0.891   4.431
  448    HB   ILE  54           HB       ILE  54  -9.104  -1.249   5.938
  449   1HG1  ILE  54          1HG1      ILE  54  -6.801  -1.491   3.983
  450   2HG1  ILE  54          2HG1      ILE  54  -6.708  -1.769   5.715
  451   1HG2  ILE  54          1HG2      ILE  54  -9.001  -0.783   2.974
  452   2HG2  ILE  54          2HG2      ILE  54 -10.345  -0.314   4.012
  453   3HG2  ILE  54          3HG2      ILE  54  -9.936  -2.020   3.814
  454   1HD1  ILE  54          1HD1      ILE  54  -6.759  -3.856   4.484
  455   2HD1  ILE  54          2HD1      ILE  54  -8.282  -3.395   3.728
  456   3HD1  ILE  54          3HD1      ILE  54  -8.216  -3.693   5.465
  457    H    GLY  55           H        GLY  55  -9.309   1.040   7.449
  458   1HA   GLY  55          1HA       GLY  55 -10.769   2.824   8.037
  459   2HA   GLY  55          2HA       GLY  55 -10.932   3.203   6.322
  460    H    ILE  56           H        ILE  56 -11.278   0.398   5.724
  461    HA   ILE  56           HA       ILE  56 -14.118   0.126   6.376
  462    HB   ILE  56           HB       ILE  56 -12.414  -1.314   4.309
  463   1HG1  ILE  56          1HG1      ILE  56 -12.632   1.046   3.706
  464   2HG1  ILE  56          2HG1      ILE  56 -13.554   0.045   2.596
  465   1HG2  ILE  56          1HG2      ILE  56 -14.529  -2.100   3.343
  466   2HG2  ILE  56          2HG2      ILE  56 -15.405  -1.324   4.659
  467   3HG2  ILE  56          3HG2      ILE  56 -14.307  -2.658   5.002
  468   1HD1  ILE  56          1HD1      ILE  56 -14.763   2.063   3.153
  469   2HD1  ILE  56          2HD1      ILE  56 -14.659   1.681   4.869
  470   3HD1  ILE  56          3HD1      ILE  56 -15.612   0.654   3.793
  471    HA   PRO  57           HA       PRO  57 -12.779  -3.068   9.308
  472   1HB   PRO  57          1HB       PRO  57 -15.493  -4.169   8.773
  473   2HB   PRO  57          2HB       PRO  57 -14.730  -3.764  10.316
  474   1HG   PRO  57          1HG       PRO  57 -16.622  -2.202   9.312
  475   2HG   PRO  57          2HG       PRO  57 -15.199  -1.502  10.107
  476   1HD   PRO  57          1HD       PRO  57 -15.810  -1.748   7.188
  477   2HD   PRO  57          2HD       PRO  57 -15.079  -0.399   8.091
  478    HA   PRO  58           HA       PRO  58 -12.209  -6.301   6.177
  479   1HB   PRO  58          1HB       PRO  58  -9.598  -6.355   6.204
  480   2HB   PRO  58          2HB       PRO  58 -10.426  -4.907   5.609
  481   1HG   PRO  58          1HG       PRO  58  -8.948  -5.304   8.163
  482   2HG   PRO  58          2HG       PRO  58  -9.227  -3.810   7.255
  483   1HD   PRO  58          1HD       PRO  58 -10.745  -4.861   9.498
  484   2HD   PRO  58          2HD       PRO  58 -10.944  -3.314   8.638
  485    H    VAL  59           H        VAL  59 -10.779  -8.265   6.247
  486    HA   VAL  59           HA       VAL  59 -11.037  -9.670   8.768
  487    HB   VAL  59           HB       VAL  59  -9.962 -10.640   6.076
  488   1HG1  VAL  59          1HG1      VAL  59  -9.151 -11.995   7.925
  489   2HG1  VAL  59          2HG1      VAL  59 -10.319 -12.899   6.961
  490   3HG1  VAL  59          3HG1      VAL  59 -10.799 -12.211   8.513
  491   1HG2  VAL  59          1HG2      VAL  59 -12.130 -11.723   5.773
  492   2HG2  VAL  59          2HG2      VAL  59 -12.315  -9.972   5.953
  493   3HG2  VAL  59          3HG2      VAL  59 -12.685 -11.041   7.302
  494    HA   PRO  60           HA       PRO  60  -6.912  -8.175   9.591
  495   1HB   PRO  60          1HB       PRO  60  -6.649  -9.060  12.082
  496   2HB   PRO  60          2HB       PRO  60  -7.841  -7.822  11.664
  497   1HG   PRO  60          1HG       PRO  60  -8.244 -10.756  12.103
  498   2HG   PRO  60          2HG       PRO  60  -9.215  -9.392  12.682
  499   1HD   PRO  60          1HD       PRO  60  -9.844 -10.894  10.473
  500   2HD   PRO  60          2HD       PRO  60 -10.358  -9.213  10.727
  501    H    ILE  61           H        ILE  61  -6.849 -10.645   8.008
  502    HA   ILE  61           HA       ILE  61  -4.791 -12.151   9.473
  503    HB   ILE  61           HB       ILE  61  -6.464 -13.003   7.067
  504   1HG1  ILE  61          1HG1      ILE  61  -6.586 -13.965   9.929
  505   2HG1  ILE  61          2HG1      ILE  61  -7.729 -12.845   9.207
  506   1HG2  ILE  61          1HG2      ILE  61  -4.218 -14.053   7.097
  507   2HG2  ILE  61          2HG2      ILE  61  -5.498 -15.228   7.380
  508   3HG2  ILE  61          3HG2      ILE  61  -4.531 -14.643   8.730
  509   1HD1  ILE  61          1HD1      ILE  61  -8.406 -14.592   7.623
  510   2HD1  ILE  61          2HD1      ILE  61  -8.632 -15.095   9.298
  511   3HD1  ILE  61          3HD1      ILE  61  -7.255 -15.698   8.371
  512    H    GLY  62           H        GLY  62  -2.744 -12.424   8.407
  513   1HA   GLY  62          1HA       GLY  62  -2.342 -11.796   5.756
  514   2HA   GLY  62          2HA       GLY  62  -2.028 -10.333   6.675
  515    H    ILE  63           H        ILE  63  -0.261 -12.059   5.109
  516    HA   ILE  63           HA       ILE  63   1.620 -12.966   7.167
  517    HB   ILE  63           HB       ILE  63   1.354 -13.861   4.274
  518   1HG1  ILE  63          1HG1      ILE  63   0.621 -15.343   6.810
  519   2HG1  ILE  63          2HG1      ILE  63  -0.519 -14.665   5.658
  520   1HG2  ILE  63          1HG2      ILE  63   3.656 -13.991   5.095
  521   2HG2  ILE  63          2HG2      ILE  63   2.968 -15.592   4.822
  522   3HG2  ILE  63          3HG2      ILE  63   3.096 -14.961   6.462
  523   1HD1  ILE  63          1HD1      ILE  63   0.333 -16.219   3.946
  524   2HD1  ILE  63          2HD1      ILE  63  -0.322 -17.054   5.354
  525   3HD1  ILE  63          3HD1      ILE  63   1.422 -16.911   5.147
  526    H    ASP  64           H        ASP  64   2.545 -10.817   7.338
  527    HA   ASP  64           HA       ASP  64   3.845  -9.855   4.919
  528   1HB   ASP  64          1HB       ASP  64   4.350  -7.775   6.168
  529   2HB   ASP  64          2HB       ASP  64   2.635  -8.134   6.219
  530    H    GLU  65           H        GLU  65   5.763 -10.496   4.467
  531    HA   GLU  65           HA       GLU  65   7.320 -11.784   6.544
  532   1HB   GLU  65          1HB       GLU  65   7.731 -11.716   3.559
  533   2HB   GLU  65          2HB       GLU  65   8.744 -12.610   4.679
  534   1HG   GLU  65          1HG       GLU  65   5.809 -13.060   4.157
  535   2HG   GLU  65          2HG       GLU  65   7.142 -14.088   3.636
  536    H    GLU  66           H        GLU  66   8.262  -9.631   3.903
  537    HA   GLU  66           HA       GLU  66   9.944  -8.104   5.717
  538   1HB   GLU  66          1HB       GLU  66  11.196 -10.165   4.793
  539   2HB   GLU  66          2HB       GLU  66  11.036  -9.402   3.220
  540   1HG   GLU  66          1HG       GLU  66  12.404  -7.549   3.970
  541   2HG   GLU  66          2HG       GLU  66  12.529  -8.284   5.571
  542    H    ARG  67           H        ARG  67  10.815  -6.249   4.341
  543    HA   ARG  67           HA       ARG  67   8.640  -5.240   2.700
  544   1HB   ARG  67          1HB       ARG  67  10.366  -3.964   4.339
  545   2HB   ARG  67          2HB       ARG  67  11.265  -3.806   2.844
  546   1HG   ARG  67          1HG       ARG  67   8.433  -2.858   3.263
  547   2HG   ARG  67          2HG       ARG  67   9.878  -1.847   3.358
  548   1HD   ARG  67          1HD       ARG  67  10.328  -2.193   1.025
  549   2HD   ARG  67          2HD       ARG  67   9.029  -3.376   0.903
  550    HE   ARG  67           HE       ARG  67   7.563  -1.380   1.581
  551   1HH1  ARG  67          1HH1      ARG  67  10.482  -1.009  -0.405
  552   2HH1  ARG  67          2HH1      ARG  67   9.806   0.233  -1.371
  553   1HH2  ARG  67          1HH2      ARG  67   6.668   0.344   0.220
  554   2HH2  ARG  67          2HH2      ARG  67   7.653   1.015  -0.961
  555    H    SER  68           H        SER  68  11.866  -6.472   2.334
  556    HA   SER  68           HA       SER  68  11.897  -6.131  -0.497
  557   1HB   SER  68          1HB       SER  68  14.094  -7.572   0.267
  558   2HB   SER  68          2HB       SER  68  14.021  -5.800   0.180
  559    HG   SER  68           HG       SER  68  14.060  -7.486   2.373
  560    H    THR  69           H        THR  69   9.953  -7.770   0.678
  561    HA   THR  69           HA       THR  69  10.213 -10.155  -0.891
  562    HB   THR  69           HB       THR  69   9.598 -10.299   2.099
  563    HG1  THR  69           HG1      THR  69  11.977 -10.407   0.750
  564   1HG2  THR  69          1HG2      THR  69   9.776 -12.745   1.803
  565   2HG2  THR  69          2HG2      THR  69  10.067 -12.511   0.078
  566   3HG2  THR  69          3HG2      THR  69   8.510 -12.072   0.777
  567    H    VAL  70           H        VAL  70   7.887 -11.155  -0.795
  568    HA   VAL  70           HA       VAL  70   5.981  -9.006  -1.024
  569    HB   VAL  70           HB       VAL  70   4.367 -10.741  -1.624
  570   1HG1  VAL  70          1HG1      VAL  70   5.631  -9.857  -3.420
  571   2HG1  VAL  70          2HG1      VAL  70   5.444 -11.592  -3.680
  572   3HG1  VAL  70          3HG1      VAL  70   6.975 -10.945  -3.084
  573   1HG2  VAL  70          1HG2      VAL  70   6.604 -12.697  -1.102
  574   2HG2  VAL  70          2HG2      VAL  70   5.067 -13.096  -1.868
  575   3HG2  VAL  70          3HG2      VAL  70   5.100 -12.551  -0.193
  576    H    MET  71           H        MET  71   4.078  -8.883   0.024
  577    HA   MET  71           HA       MET  71   3.902 -10.276   2.575
  578   1HB   MET  71          1HB       MET  71   2.732  -8.357   3.562
  579   2HB   MET  71          2HB       MET  71   4.281  -7.819   2.953
  580   1HG   MET  71          1HG       MET  71   3.225  -6.765   1.060
  581   2HG   MET  71          2HG       MET  71   1.663  -7.448   1.505
  582   1HE   MET  71          1HE       MET  71   1.146  -3.626   2.223
  583   2HE   MET  71          2HE       MET  71   0.533  -5.043   1.374
  584   3HE   MET  71          3HE       MET  71   2.078  -4.339   0.907
  585    H    ILE  72           H        ILE  72   2.177 -11.495   2.720
  586    HA   ILE  72           HA       ILE  72   0.223 -11.324   0.526
  587    HB   ILE  72           HB       ILE  72   0.859 -13.721   2.287
  588   1HG1  ILE  72          1HG1      ILE  72   1.816 -13.171  -0.535
  589   2HG1  ILE  72          2HG1      ILE  72   2.810 -12.992   0.904
  590   1HG2  ILE  72          1HG2      ILE  72  -0.336 -14.998   0.595
  591   2HG2  ILE  72          2HG2      ILE  72  -0.587 -13.537  -0.347
  592   3HG2  ILE  72          3HG2      ILE  72  -1.379 -13.715   1.223
  593   1HD1  ILE  72          1HD1      ILE  72   3.259 -15.085  -0.252
  594   2HD1  ILE  72          2HD1      ILE  72   1.565 -15.549  -0.067
  595   3HD1  ILE  72          3HD1      ILE  72   2.590 -15.376   1.355
  596    HA   PRO  73           HA       PRO  73  -2.121 -10.313   4.321
  597   1HB   PRO  73          1HB       PRO  73  -3.582  -8.330   2.826
  598   2HB   PRO  73          2HB       PRO  73  -2.422  -8.080   4.132
  599   1HG   PRO  73          1HG       PRO  73  -1.950  -7.352   1.535
  600   2HG   PRO  73          2HG       PRO  73  -0.670  -7.763   2.689
  601   1HD   PRO  73          1HD       PRO  73  -1.929  -9.481   0.573
  602   2HD   PRO  73          2HD       PRO  73  -0.210  -9.298   1.004
  603    H    TYR  74           H        TYR  74  -4.073 -11.056   4.910
  604    HA   TYR  74           HA       TYR  74  -5.839 -11.892   2.794
  605   1HB   TYR  74          1HB       TYR  74  -5.263 -13.235   5.432
  606   2HB   TYR  74          2HB       TYR  74  -6.654 -13.664   4.434
  607    HD1  TYR  74           HD1      TYR  74  -6.233 -14.527   2.120
  608    HD2  TYR  74           HD2      TYR  74  -3.129 -14.116   4.992
  609    HE1  TYR  74           HE1      TYR  74  -4.841 -16.056   0.816
  610    HE2  TYR  74           HE2      TYR  74  -1.723 -15.653   3.694
  611    HH   TYR  74           HH       TYR  74  -1.960 -17.373   2.076
  612    H    THR  75           H        THR  75  -5.919  -9.507   3.476
  613    HA   THR  75           HA       THR  75  -7.961  -9.058   5.476
  614    HB   THR  75           HB       THR  75  -7.492  -6.682   4.948
  615    HG1  THR  75           HG1      THR  75  -6.598  -7.456   2.781
  616   1HG2  THR  75          1HG2      THR  75  -5.262  -6.585   6.002
  617   2HG2  THR  75          2HG2      THR  75  -5.028  -8.299   5.660
  618   3HG2  THR  75          3HG2      THR  75  -6.283  -7.789   6.788
  619    H    LYS  76           H        LYS  76 -10.026  -9.095   4.716
  620    HA   LYS  76           HA       LYS  76 -10.374  -8.732   1.858
  621   1HB   LYS  76          1HB       LYS  76 -11.313 -10.802   2.822
  622   2HB   LYS  76          2HB       LYS  76 -12.333  -9.837   3.876
  623   1HG   LYS  76          1HG       LYS  76 -13.587 -10.676   1.966
  624   2HG   LYS  76          2HG       LYS  76 -13.491  -8.913   1.939
  625   1HD   LYS  76          1HD       LYS  76 -11.647  -9.046   0.318
  626   2HD   LYS  76          2HD       LYS  76 -11.763 -10.808   0.350
  627   1HE   LYS  76          1HE       LYS  76 -14.029 -10.667  -0.529
  628   2HE   LYS  76          2HE       LYS  76 -13.928  -8.907  -0.526
  629   1HZ   LYS  76          1HZ       LYS  76 -12.197 -10.726  -2.094
  630   2HZ   LYS  76          2HZ       LYS  76 -12.134  -9.035  -2.133
  631   3HZ   LYS  76          3HZ       LYS  76 -13.487  -9.842  -2.715
  632    HA   PRO  77           HA       PRO  77 -12.349  -4.886   3.119
  633   1HB   PRO  77          1HB       PRO  77 -11.010  -3.336   1.360
  634   2HB   PRO  77          2HB       PRO  77 -10.300  -3.865   2.890
  635   1HG   PRO  77          1HG       PRO  77  -9.527  -4.628   0.199
  636   2HG   PRO  77          2HG       PRO  77  -8.745  -5.031   1.735
  637   1HD   PRO  77          1HD       PRO  77 -10.654  -6.614   0.135
  638   2HD   PRO  77          2HD       PRO  77  -9.449  -7.133   1.341
  639    H    CYS  78           H        CYS  78 -12.919  -3.039   1.315
  640    HA   CYS  78           HA       CYS  78 -14.673  -4.355  -0.611
  641   1HB   CYS  78          1HB       CYS  78 -14.770  -1.711   0.816
  642   2HB   CYS  78          2HB       CYS  78 -15.973  -2.248  -0.378
  643    HG   CYS  78           HG       CYS  78 -15.370  -4.082   2.454
  644    H    TYR  79           H        TYR  79 -11.938  -3.950  -1.060
  645    HA   TYR  79           HA       TYR  79 -11.922  -2.019  -3.262
  646   1HB   TYR  79          1HB       TYR  79 -11.067  -0.807  -1.350
  647   2HB   TYR  79          2HB       TYR  79  -9.969  -2.110  -0.966
  648    HD1  TYR  79           HD1      TYR  79 -10.501   0.891  -2.923
  649    HD2  TYR  79           HD2      TYR  79  -7.946  -2.454  -2.366
  650    HE1  TYR  79           HE1      TYR  79  -8.679   2.075  -4.068
  651    HE2  TYR  79           HE2      TYR  79  -6.141  -1.291  -3.512
  652    HH   TYR  79           HH       TYR  79  -6.268   2.030  -4.136
  653    H    GLY  80           H        GLY  80  -9.423  -3.964  -1.589
  654   1HA   GLY  80          1HA       GLY  80  -9.218  -6.145  -3.167
  655   2HA   GLY  80          2HA       GLY  80  -8.320  -4.888  -4.024
  656    H    THR  81           H        THR  81  -6.610  -6.612  -3.362
  657    HA   THR  81           HA       THR  81  -5.660  -5.886  -0.678
  658    HB   THR  81           HB       THR  81  -5.098  -8.444  -2.161
  659    HG1  THR  81           HG1      THR  81  -7.329  -8.035  -1.493
  660   1HG2  THR  81          1HG2      THR  81  -4.716  -7.678   0.741
  661   2HG2  THR  81          2HG2      THR  81  -3.428  -7.868  -0.448
  662   3HG2  THR  81          3HG2      THR  81  -4.383  -9.266   0.048
  663    H    ALA  82           H        ALA  82  -3.387  -5.597  -0.379
  664    HA   ALA  82           HA       ALA  82  -1.993  -4.740  -2.813
  665   1HB   ALA  82          1HB       ALA  82  -0.817  -3.170  -1.380
  666   2HB   ALA  82          2HB       ALA  82  -1.671  -3.796   0.029
  667   3HB   ALA  82          3HB       ALA  82  -2.561  -2.942  -1.226
  668    H    VAL  83           H        VAL  83  -0.237  -5.913  -3.308
  669    HA   VAL  83           HA       VAL  83   1.264  -7.214  -1.146
  670    HB   VAL  83           HB       VAL  83   0.983  -8.152  -4.033
  671   1HG1  VAL  83          1HG1      VAL  83   2.078 -10.203  -3.253
  672   2HG1  VAL  83          2HG1      VAL  83   2.209  -9.511  -1.638
  673   3HG1  VAL  83          3HG1      VAL  83   3.090  -8.782  -2.980
  674   1HG2  VAL  83          1HG2      VAL  83  -0.369 -10.032  -3.196
  675   2HG2  VAL  83          2HG2      VAL  83  -1.157  -8.482  -2.905
  676   3HG2  VAL  83          3HG2      VAL  83  -0.347  -9.319  -1.582
  677    H    VAL  84           H        VAL  84   3.288  -6.386  -1.038
  678    HA   VAL  84           HA       VAL  84   4.254  -5.005  -3.425
  679    HB   VAL  84           HB       VAL  84   5.235  -3.225  -2.050
  680   1HG1  VAL  84          1HG1      VAL  84   3.023  -2.806  -2.781
  681   2HG1  VAL  84          2HG1      VAL  84   3.282  -2.101  -1.185
  682   3HG1  VAL  84          3HG1      VAL  84   2.360  -3.595  -1.351
  683   1HG2  VAL  84          1HG2      VAL  84   4.856  -3.071   0.382
  684   2HG2  VAL  84          2HG2      VAL  84   5.799  -4.501  -0.037
  685   3HG2  VAL  84          3HG2      VAL  84   4.090  -4.663   0.359
  686    H    GLU  85           H        GLU  85   6.495  -5.262  -3.832
  687    HA   GLU  85           HA       GLU  85   8.072  -6.682  -1.880
  688   1HB   GLU  85          1HB       GLU  85   7.117  -8.533  -3.164
  689   2HB   GLU  85          2HB       GLU  85   7.697  -7.815  -4.667
  690   1HG   GLU  85          1HG       GLU  85   9.998  -8.104  -3.943
  691   2HG   GLU  85          2HG       GLU  85   9.440  -8.722  -2.390
  692    H    LEU  86           H        LEU  86   9.861  -5.691  -1.708
  693    HA   LEU  86           HA       LEU  86  10.759  -3.971  -3.869
  694   1HB   LEU  86          1HB       LEU  86  10.493  -3.107  -1.560
  695   2HB   LEU  86          2HB       LEU  86  11.705  -4.234  -1.009
  696    HG   LEU  86           HG       LEU  86  13.275  -3.085  -2.626
  697   1HD1  LEU  86          1HD1      LEU  86  11.108  -1.022  -2.590
  698   2HD1  LEU  86          2HD1      LEU  86  11.703  -1.940  -3.977
  699   3HD1  LEU  86          3HD1      LEU  86  12.755  -0.778  -3.173
  700   1HD2  LEU  86          1HD2      LEU  86  13.744  -1.276  -1.019
  701   2HD2  LEU  86          2HD2      LEU  86  13.452  -2.822  -0.230
  702   3HD2  LEU  86          3HD2      LEU  86  12.195  -1.588  -0.241
  703    HA   PRO  87           HA       PRO  87  13.943  -7.172  -4.574
  704   1HB   PRO  87          1HB       PRO  87  14.982  -6.183  -6.837
  705   2HB   PRO  87          2HB       PRO  87  13.367  -6.904  -6.825
  706   1HG   PRO  87          1HG       PRO  87  14.152  -4.022  -6.786
  707   2HG   PRO  87          2HG       PRO  87  12.859  -4.816  -7.700
  708   1HD   PRO  87          1HD       PRO  87  12.482  -3.433  -5.343
  709   2HD   PRO  87          2HD       PRO  87  11.393  -4.701  -5.940
  710    H    VAL  88           H        VAL  88  14.213  -4.140  -3.574
  711    HA   VAL  88           HA       VAL  88  17.140  -3.961  -3.523
  712    HB   VAL  88           HB       VAL  88  15.113  -1.907  -2.556
  713   1HG1  VAL  88          1HG1      VAL  88  16.905  -0.279  -2.874
  714   2HG1  VAL  88          2HG1      VAL  88  17.992  -1.577  -3.361
  715   3HG1  VAL  88          3HG1      VAL  88  17.345  -1.537  -1.719
  716   1HG2  VAL  88          1HG2      VAL  88  15.338  -0.721  -4.689
  717   2HG2  VAL  88          2HG2      VAL  88  14.644  -2.327  -4.912
  718   3HG2  VAL  88          3HG2      VAL  88  16.334  -2.034  -5.314
  719    H    ASP  89           H        ASP  89  17.940  -3.289  -1.248
  720    HA   ASP  89           HA       ASP  89  17.034  -5.245   0.625
  721   1HB   ASP  89          1HB       ASP  89  19.067  -3.012   0.793
  722   2HB   ASP  89          2HB       ASP  89  18.733  -4.060   2.157
  723    HA   PRO  90           HA       PRO  90  14.142  -2.841   3.032
  724   1HB   PRO  90          1HB       PRO  90  14.774  -3.498   5.593
  725   2HB   PRO  90          2HB       PRO  90  13.963  -4.615   4.491
  726   1HG   PRO  90          1HG       PRO  90  16.872  -4.431   5.178
  727   2HG   PRO  90          2HG       PRO  90  15.825  -5.863   5.112
  728   1HD   PRO  90          1HD       PRO  90  17.457  -5.281   3.092
  729   2HD   PRO  90          2HD       PRO  90  15.831  -5.920   2.796
  730    H    GLU  91           H        GLU  91  17.104  -1.877   2.608
  731    HA   GLU  91           HA       GLU  91  17.630  -0.073   4.740
  732   1HB   GLU  91          1HB       GLU  91  19.352   0.871   3.165
  733   2HB   GLU  91          2HB       GLU  91  19.492  -0.851   3.442
  734   1HG   GLU  91          1HG       GLU  91  19.889  -0.695   1.178
  735   2HG   GLU  91          2HG       GLU  91  18.173  -1.061   1.212
  736    H    GLU  92           H        GLU  92  15.693  -0.117   2.017
  737    HA   GLU  92           HA       GLU  92  15.178   2.614   1.579
  738   1HB   GLU  92          1HB       GLU  92  14.554   0.642   0.117
  739   2HB   GLU  92          2HB       GLU  92  13.258   0.304   1.252
  740   1HG   GLU  92          1HG       GLU  92  12.380   1.476  -0.641
  741   2HG   GLU  92          2HG       GLU  92  12.314   2.534   0.769
  742    H    ILE  93           H        ILE  93  14.220   0.465   4.124
  743    HA   ILE  93           HA       ILE  93  11.833   1.637   4.858
  744    HB   ILE  93           HB       ILE  93  13.786   0.026   6.521
  745   1HG1  ILE  93          1HG1      ILE  93  11.134  -0.657   5.231
  746   2HG1  ILE  93          2HG1      ILE  93  12.721  -1.141   4.651
  747   1HG2  ILE  93          1HG2      ILE  93  10.982   0.869   7.299
  748   2HG2  ILE  93          2HG2      ILE  93  12.471   1.425   8.059
  749   3HG2  ILE  93          3HG2      ILE  93  11.996  -0.270   8.187
  750   1HD1  ILE  93          1HD1      ILE  93  13.043  -2.481   6.663
  751   2HD1  ILE  93          2HD1      ILE  93  11.589  -2.961   5.790
  752   3HD1  ILE  93          3HD1      ILE  93  11.458  -1.981   7.252
  753    H    GLU  94           H        GLU  94  15.079   2.709   5.368
  754    HA   GLU  94           HA       GLU  94  14.633   4.343   7.630
  755   1HB   GLU  94          1HB       GLU  94  16.687   4.562   5.432
  756   2HB   GLU  94          2HB       GLU  94  16.682   5.571   6.871
  757   1HG   GLU  94          1HG       GLU  94  16.904   3.544   8.255
  758   2HG   GLU  94          2HG       GLU  94  16.997   2.580   6.780
  759    H    ARG  95           H        ARG  95  14.318   4.883   4.181
  760    HA   ARG  95           HA       ARG  95  13.702   7.683   4.526
  761   1HB   ARG  95          1HB       ARG  95  13.175   5.907   2.143
  762   2HB   ARG  95          2HB       ARG  95  12.984   7.653   2.147
  763   1HG   ARG  95          1HG       ARG  95  15.012   7.279   1.036
  764   2HG   ARG  95          2HG       ARG  95  15.520   7.671   2.683
  765   1HD   ARG  95          1HD       ARG  95  15.639   5.331   3.214
  766   2HD   ARG  95          2HD       ARG  95  15.100   4.919   1.597
  767    HE   ARG  95           HE       ARG  95  17.602   6.379   2.027
  768   1HH1  ARG  95          1HH1      ARG  95  15.847   3.808   0.458
  769   2HH1  ARG  95          2HH1      ARG  95  17.218   2.814   0.191
  770   1HH2  ARG  95          1HH2      ARG  95  19.523   5.146   1.519
  771   2HH2  ARG  95          2HH2      ARG  95  19.358   3.621   0.749
  772    H    ILE  96           H        ILE  96  12.077   4.672   4.128
  773    HA   ILE  96           HA       ILE  96   9.481   5.518   3.753
  774    HB   ILE  96           HB       ILE  96  10.723   3.081   4.901
  775   1HG1  ILE  96          1HG1      ILE  96   9.309   3.567   2.282
  776   2HG1  ILE  96          2HG1      ILE  96  11.044   3.438   2.535
  777   1HG2  ILE  96          1HG2      ILE  96   8.516   3.216   5.964
  778   2HG2  ILE  96          2HG2      ILE  96   8.655   1.840   4.876
  779   3HG2  ILE  96          3HG2      ILE  96   7.769   3.266   4.358
  780   1HD1  ILE  96          1HD1      ILE  96   9.034   1.229   2.931
  781   2HD1  ILE  96          2HD1      ILE  96  10.781   1.085   3.137
  782   3HD1  ILE  96          3HD1      ILE  96  10.104   1.419   1.547
  783    H    LEU  97           H        LEU  97  11.352   5.105   6.693
  784    HA   LEU  97           HA       LEU  97   9.281   5.364   8.595
  785   1HB   LEU  97          1HB       LEU  97  11.568   4.579   9.115
  786   2HB   LEU  97          2HB       LEU  97  12.184   6.186   8.807
  787    HG   LEU  97           HG       LEU  97  10.840   7.018  10.734
  788   1HD1  LEU  97          1HD1      LEU  97   9.119   5.314  10.791
  789   2HD1  LEU  97          2HD1      LEU  97   9.961   5.392  12.338
  790   3HD1  LEU  97          3HD1      LEU  97  10.320   4.091  11.204
  791   1HD2  LEU  97          1HD2      LEU  97  12.309   6.074  12.458
  792   2HD2  LEU  97          2HD2      LEU  97  13.200   6.495  10.998
  793   3HD2  LEU  97          3HD2      LEU  97  12.807   4.809  11.334
  794    H    GLU  98           H        GLU  98  11.233   7.689   6.879
  795    HA   GLU  98           HA       GLU  98  10.243  10.021   8.266
  796   1HB   GLU  98          1HB       GLU  98  12.505   9.820   7.217
  797   2HB   GLU  98          2HB       GLU  98  11.710   9.749   5.655
  798   1HG   GLU  98          1HG       GLU  98  12.553  11.951   6.010
  799   2HG   GLU  98          2HG       GLU  98  10.792  11.988   6.028
  800    H    VAL  99           H        VAL  99   9.792   8.423   5.209
  801    HA   VAL  99           HA       VAL  99   7.992  10.283   4.079
  802    HB   VAL  99           HB       VAL  99   8.921   7.508   3.251
  803   1HG1  VAL  99          1HG1      VAL  99   8.007   7.954   0.995
  804   2HG1  VAL  99          2HG1      VAL  99   7.336   9.482   1.571
  805   3HG1  VAL  99          3HG1      VAL  99   6.700   7.959   2.185
  806   1HG2  VAL  99          1HG2      VAL  99  10.630   9.191   3.213
  807   2HG2  VAL  99          2HG2      VAL  99   9.614  10.252   2.235
  808   3HG2  VAL  99          3HG2      VAL  99  10.207   8.733   1.563
  809    H    ALA 100           H        ALA 100   7.479   8.285   6.592
  810    HA   ALA 100           HA       ALA 100   5.234   6.819   6.405
  811   1HB   ALA 100          1HB       ALA 100   5.783   8.810   8.598
  812   2HB   ALA 100          2HB       ALA 100   6.448   7.179   8.498
  813   3HB   ALA 100          3HB       ALA 100   4.712   7.414   8.721
  814    H    GLU 101           H        GLU 101   5.367  10.279   6.661
  815    HA   GLU 101           HA       GLU 101   3.242  10.538   5.048
  816   1HB   GLU 101          1HB       GLU 101   1.654  11.857   6.520
  817   2HB   GLU 101          2HB       GLU 101   1.788  10.180   6.959
  818   1HG   GLU 101          1HG       GLU 101   1.630  11.319   8.958
  819   2HG   GLU 101          2HG       GLU 101   3.359  11.003   8.814
  820    HA   PRO 102           HA       PRO 102   6.502  13.523   4.311
  821   1HB   PRO 102          1HB       PRO 102   4.644  14.044   2.029
  822   2HB   PRO 102          2HB       PRO 102   6.395  13.799   2.009
  823   1HG   PRO 102          1HG       PRO 102   4.851  11.816   1.241
  824   2HG   PRO 102          2HG       PRO 102   6.193  11.490   2.362
  825   1HD   PRO 102          1HD       PRO 102   3.277  11.786   2.965
  826   2HD   PRO 102          2HD       PRO 102   4.446  10.558   3.517
  Start of MODEL    2
    1    H    HIS   1           H        HIS   1   4.056   7.323 -13.745
    2    HA   HIS   1           HA       HIS   1   2.476   8.532 -12.364
    3   1HB   HIS   1          1HB       HIS   1   2.473   5.524 -11.964
    4   2HB   HIS   1          2HB       HIS   1   1.109   6.562 -11.586
    5    HD1  HIS   1           HD1      HIS   1  -0.015   7.785 -13.723
    6    HD2  HIS   1           HD2      HIS   1   2.651   4.702 -14.547
    7    HE1  HIS   1           HE1      HIS   1  -0.443   7.107 -16.112
    8    H    MET   2           H        MET   2   1.766   9.148 -10.349
    9    HA   MET   2           HA       MET   2   2.981   8.081  -7.948
   10   1HB   MET   2          1HB       MET   2   3.052  11.017  -8.753
   11   2HB   MET   2          2HB       MET   2   3.430  10.413  -7.152
   12   1HG   MET   2          1HG       MET   2   5.381   9.250  -8.041
   13   2HG   MET   2          2HG       MET   2   4.973   9.801  -9.663
   14   1HE   MET   2          1HE       MET   2   8.186  11.896  -8.727
   15   2HE   MET   2          2HE       MET   2   7.477  10.785  -9.894
   16   3HE   MET   2          3HE       MET   2   7.831  10.233  -8.258
   17    H    THR   3           H        THR   3   1.347   7.966  -6.452
   18    HA   THR   3           HA       THR   3  -1.094   9.423  -7.125
   19    HB   THR   3           HB       THR   3  -1.367   7.007  -7.378
   20    HG1  THR   3           HG1      THR   3  -3.094   6.723  -5.857
   21   1HG2  THR   3          1HG2      THR   3  -1.276   5.507  -5.428
   22   2HG2  THR   3          2HG2      THR   3  -0.664   6.841  -4.448
   23   3HG2  THR   3          3HG2      THR   3   0.296   6.220  -5.794
   24    H    PHE   4           H        PHE   4  -1.952  10.758  -5.694
   25    HA   PHE   4           HA       PHE   4  -1.077  10.586  -2.919
   26   1HB   PHE   4          1HB       PHE   4  -1.200  13.176  -4.494
   27   2HB   PHE   4          2HB       PHE   4  -0.804  13.028  -2.783
   28    HD1  PHE   4           HD1      PHE   4   0.470  12.984  -6.117
   29    HD2  PHE   4           HD2      PHE   4   1.221  11.661  -2.152
   30    HE1  PHE   4           HE1      PHE   4   2.817  12.574  -6.701
   31    HE2  PHE   4           HE2      PHE   4   3.572  11.255  -2.727
   32    HZ   PHE   4           HZ       PHE   4   4.367  11.697  -4.999
   33    H    CYS   5           H        CYS   5  -3.606  10.391  -4.863
   34    HA   CYS   5           HA       CYS   5  -5.430  11.914  -3.202
   35   1HB   CYS   5          1HB       CYS   5  -5.894  10.283  -5.706
   36   2HB   CYS   5          2HB       CYS   5  -7.117  11.237  -4.875
   37    HG   CYS   5           HG       CYS   5  -6.668  13.393  -6.100
   38    H    LEU   6           H        LEU   6  -5.798  10.848  -1.304
   39    HA   LEU   6           HA       LEU   6  -6.428   8.052  -1.617
   40   1HB   LEU   6          1HB       LEU   6  -6.284   7.840   0.933
   41   2HB   LEU   6          2HB       LEU   6  -4.818   7.954   0.010
   42    HG   LEU   6           HG       LEU   6  -4.472  10.266   0.836
   43   1HD1  LEU   6          1HD1      LEU   6  -5.901  11.212   2.559
   44   2HD1  LEU   6          2HD1      LEU   6  -6.996   9.837   2.438
   45   3HD1  LEU   6          3HD1      LEU   6  -6.836  10.957   1.085
   46   1HD2  LEU   6          1HD2      LEU   6  -4.049   9.723   3.126
   47   2HD2  LEU   6          2HD2      LEU   6  -3.682   8.300   2.145
   48   3HD2  LEU   6          3HD2      LEU   6  -5.179   8.390   3.057
   49    H    GLU   7           H        GLU   7  -7.732  11.006  -0.460
   50    HA   GLU   7           HA       GLU   7 -10.030   9.824   0.710
   51   1HB   GLU   7          1HB       GLU   7  -9.030  11.962   1.481
   52   2HB   GLU   7          2HB       GLU   7  -9.500  12.701  -0.038
   53   1HG   GLU   7          1HG       GLU   7 -11.834  12.373   0.502
   54   2HG   GLU   7          2HG       GLU   7 -11.388  11.560   2.002
   55    H    THR   8           H        THR   8  -9.086  10.783  -2.434
   56    HA   THR   8           HA       THR   8 -11.582  11.188  -3.608
   57    HB   THR   8           HB       THR   8  -9.189   9.878  -4.826
   58    HG1  THR   8           HG1      THR   8  -9.412  12.667  -4.883
   59   1HG2  THR   8          1HG2      THR   8 -11.180  10.109  -6.262
   60   2HG2  THR   8          2HG2      THR   8  -9.860  11.119  -6.842
   61   3HG2  THR   8          3HG2      THR   8 -11.199  11.848  -5.960
   62    H    TYR   9           H        TYR   9  -9.559   8.394  -2.921
   63    HA   TYR   9           HA       TYR   9 -11.251   6.564  -4.229
   64   1HB   TYR   9          1HB       TYR   9  -8.838   6.320  -2.521
   65   2HB   TYR   9          2HB       TYR   9  -9.820   4.884  -2.776
   66    HD1  TYR   9           HD1      TYR   9  -7.752   7.460  -4.428
   67    HD2  TYR   9           HD2      TYR   9  -9.843   3.788  -4.897
   68    HE1  TYR   9           HE1      TYR   9  -6.689   7.138  -6.620
   69    HE2  TYR   9           HE2      TYR   9  -8.787   3.454  -7.085
   70    HH   TYR   9           HH       TYR   9  -7.803   4.846  -8.815
   71    H    LEU  10           H        LEU  10 -10.849   7.746  -1.046
   72    HA   LEU  10           HA       LEU  10 -12.499   5.954   0.333
   73   1HB   LEU  10          1HB       LEU  10 -10.787   7.646   1.189
   74   2HB   LEU  10          2HB       LEU  10 -11.996   8.867   0.922
   75    HG   LEU  10           HG       LEU  10 -12.481   6.578   2.817
   76   1HD1  LEU  10          1HD1      LEU  10 -11.216   9.256   3.378
   77   2HD1  LEU  10          2HD1      LEU  10 -10.415   7.687   3.477
   78   3HD1  LEU  10          3HD1      LEU  10 -11.720   8.086   4.594
   79   1HD2  LEU  10          1HD2      LEU  10 -14.027   8.168   3.837
   80   2HD2  LEU  10          2HD2      LEU  10 -14.427   7.909   2.137
   81   3HD2  LEU  10          3HD2      LEU  10 -13.591   9.382   2.633
   82    H    GLN  11           H        GLN  11 -13.104   8.925  -1.428
   83    HA   GLN  11           HA       GLN  11 -15.879   9.087  -0.850
   84   1HB   GLN  11          1HB       GLN  11 -14.022  10.382  -2.802
   85   2HB   GLN  11          2HB       GLN  11 -15.745  10.705  -2.880
   86   1HG   GLN  11          1HG       GLN  11 -15.713  11.620  -0.654
   87   2HG   GLN  11          2HG       GLN  11 -14.041  11.113  -0.431
   88   1HE2  GLN  11          1HE2      GLN  11 -13.427  13.198   0.015
   89   2HE2  GLN  11          2HE2      GLN  11 -13.269  14.405  -1.204
   90    H    GLN  12           H        GLN  12 -13.919   7.734  -3.406
   91    HA   GLN  12           HA       GLN  12 -16.128   7.106  -5.066
   92   1HB   GLN  12          1HB       GLN  12 -13.243   6.269  -5.217
   93   2HB   GLN  12          2HB       GLN  12 -14.444   5.749  -6.384
   94   1HG   GLN  12          1HG       GLN  12 -13.736   8.615  -5.817
   95   2HG   GLN  12          2HG       GLN  12 -13.081   7.659  -7.143
   96   1HE2  GLN  12          1HE2      GLN  12 -14.661  10.095  -7.185
   97   2HE2  GLN  12          2HE2      GLN  12 -16.063   9.733  -8.130
   98    H    SER  13           H        SER  13 -14.748   5.618  -2.396
   99    HA   SER  13           HA       SER  13 -15.265   3.891  -1.233
  100   1HB   SER  13          1HB       SER  13 -17.305   3.158  -3.357
  101   2HB   SER  13          2HB       SER  13 -17.146   2.350  -1.796
  102    HG   SER  13           HG       SER  13 -17.373   5.112  -1.803
  103    H    GLY  14           H        GLY  14 -13.594   2.640  -1.117
  104   1HA   GLY  14          1HA       GLY  14 -12.886   0.363  -2.023
  105   2HA   GLY  14          2HA       GLY  14 -12.689   1.252  -3.535
  106    H    GLU  15           H        GLU  15 -12.075   2.177  -0.239
  107    HA   GLU  15           HA       GLU  15  -9.445   3.061  -0.988
  108   1HB   GLU  15          1HB       GLU  15  -9.554   4.361   1.109
  109   2HB   GLU  15          2HB       GLU  15 -10.840   4.750  -0.018
  110   1HG   GLU  15          1HG       GLU  15 -11.263   2.845   2.288
  111   2HG   GLU  15          2HG       GLU  15 -11.413   4.583   2.479
  112    H    TYR  16           H        TYR  16  -7.712   2.690   0.519
  113    HA   TYR  16           HA       TYR  16  -7.938   0.496   2.486
  114   1HB   TYR  16          1HB       TYR  16  -6.988  -0.217   0.184
  115   2HB   TYR  16          2HB       TYR  16  -5.679   0.901   0.484
  116    HD1  TYR  16           HD1      TYR  16  -7.268  -2.223   1.676
  117    HD2  TYR  16           HD2      TYR  16  -3.782   0.204   1.732
  118    HE1  TYR  16           HE1      TYR  16  -6.010  -4.065   2.714
  119    HE2  TYR  16           HE2      TYR  16  -2.518  -1.618   2.779
  120    HH   TYR  16           HH       TYR  16  -3.811  -4.821   3.061
  121    H    GLU  17           H        GLU  17  -8.029   3.378   2.483
  122    HA   GLU  17           HA       GLU  17  -5.582   4.135   3.850
  123   1HB   GLU  17          1HB       GLU  17  -6.903   5.751   1.680
  124   2HB   GLU  17          2HB       GLU  17  -5.545   6.283   2.629
  125   1HG   GLU  17          1HG       GLU  17  -4.572   5.697   0.624
  126   2HG   GLU  17          2HG       GLU  17  -4.347   4.230   1.568
  127    H    ILE  18           H        ILE  18  -5.995   6.289   4.897
  128    HA   ILE  18           HA       ILE  18  -8.774   6.431   5.496
  129    HB   ILE  18           HB       ILE  18  -7.343   5.469   7.461
  130   1HG1  ILE  18          1HG1      ILE  18  -9.206   7.787   8.097
  131   2HG1  ILE  18          2HG1      ILE  18  -9.706   6.148   7.707
  132   1HG2  ILE  18          1HG2      ILE  18  -6.742   8.393   7.880
  133   2HG2  ILE  18          2HG2      ILE  18  -5.568   7.159   7.441
  134   3HG2  ILE  18          3HG2      ILE  18  -6.370   7.093   9.011
  135   1HD1  ILE  18          1HD1      ILE  18  -8.634   5.340   9.728
  136   2HD1  ILE  18          2HD1      ILE  18  -9.795   6.616  10.096
  137   3HD1  ILE  18          3HD1      ILE  18  -8.067   6.968  10.090
  138    H    HIS  19           H        HIS  19  -8.845   8.922   6.943
  139    HA   HIS  19           HA       HIS  19  -8.348  10.820   4.830
  140   1HB   HIS  19          1HB       HIS  19  -9.298  11.251   7.671
  141   2HB   HIS  19          2HB       HIS  19  -9.184  12.535   6.480
  142    HD1  HIS  19           HD1      HIS  19 -11.060  12.552   4.568
  143    HD2  HIS  19           HD2      HIS  19 -11.438   9.535   7.426
  144    HE1  HIS  19           HE1      HIS  19 -13.354  11.633   4.311
  145    H    MET  20           H        MET  20  -5.973   9.774   5.456
  146    HA   MET  20           HA       MET  20  -4.436  11.813   6.912
  147   1HB   MET  20          1HB       MET  20  -4.310   8.944   6.519
  148   2HB   MET  20          2HB       MET  20  -2.716   9.689   6.623
  149   1HG   MET  20          1HG       MET  20  -3.493  10.629   8.833
  150   2HG   MET  20          2HG       MET  20  -4.958   9.668   8.643
  151   1HE   MET  20          1HE       MET  20  -2.995   9.504  11.164
  152   2HE   MET  20          2HE       MET  20  -2.949   7.760  11.415
  153   3HE   MET  20          3HE       MET  20  -4.473   8.551  11.011
  154    H    LYS  21           H        LYS  21  -1.955  10.591   5.454
  155    HA   LYS  21           HA       LYS  21  -2.463  11.925   2.902
  156   1HB   LYS  21          1HB       LYS  21  -1.066  13.181   4.656
  157   2HB   LYS  21          2HB       LYS  21   0.150  11.941   4.440
  158   1HG   LYS  21          1HG       LYS  21  -0.844  13.640   2.164
  159   2HG   LYS  21          2HG       LYS  21   0.472  14.145   3.214
  160   1HD   LYS  21          1HD       LYS  21   1.768  12.213   2.535
  161   2HD   LYS  21          2HD       LYS  21   0.418  11.629   1.557
  162   1HE   LYS  21          1HE       LYS  21   0.563  13.566   0.128
  163   2HE   LYS  21          2HE       LYS  21   1.819  14.267   1.146
  164   1HZ   LYS  21          1HZ       LYS  21   3.288  12.459   0.538
  165   2HZ   LYS  21          2HZ       LYS  21   2.729  13.209  -0.843
  166   3HZ   LYS  21          3HZ       LYS  21   2.048  11.730  -0.349
  167    H    ARG  22           H        ARG  22  -1.817  10.771   1.104
  168    HA   ARG  22           HA       ARG  22  -0.455   8.211   1.629
  169   1HB   ARG  22          1HB       ARG  22  -1.795   7.126   0.066
  170   2HB   ARG  22          2HB       ARG  22  -2.878   8.432   0.439
  171   1HG   ARG  22          1HG       ARG  22  -2.175   9.687  -1.489
  172   2HG   ARG  22          2HG       ARG  22  -0.948   8.486  -1.881
  173   1HD   ARG  22          1HD       ARG  22  -3.949   8.113  -1.940
  174   2HD   ARG  22          2HD       ARG  22  -2.898   8.290  -3.332
  175    HE   ARG  22           HE       ARG  22  -1.869   6.086  -2.512
  176   1HH1  ARG  22          1HH1      ARG  22  -5.305   6.913  -2.398
  177   2HH1  ARG  22          2HH1      ARG  22  -5.777   5.339  -1.921
  178   1HH2  ARG  22          1HH2      ARG  22  -2.505   3.991  -2.146
  179   2HH2  ARG  22          2HH2      ARG  22  -4.153   3.610  -1.757
  180    H    ALA  23           H        ALA  23   1.229   7.665   0.329
  181    HA   ALA  23           HA       ALA  23   2.025   9.585  -1.735
  182   1HB   ALA  23          1HB       ALA  23   3.877   8.643   0.439
  183   2HB   ALA  23          2HB       ALA  23   3.240  10.279   0.272
  184   3HB   ALA  23          3HB       ALA  23   4.350   9.631  -0.940
  185    H    GLY  24           H        GLY  24   1.391   8.054  -3.207
  186   1HA   GLY  24          1HA       GLY  24   2.843   5.521  -3.127
  187   2HA   GLY  24          2HA       GLY  24   1.344   5.805  -3.994
  188    H    PHE  25           H        PHE  25   4.738   6.495  -3.880
  189    HA   PHE  25           HA       PHE  25   4.766   7.672  -6.511
  190   1HB   PHE  25          1HB       PHE  25   7.040   6.644  -4.783
  191   2HB   PHE  25          2HB       PHE  25   7.238   7.543  -6.279
  192    HD1  PHE  25           HD1      PHE  25   6.834   9.908  -6.358
  193    HD2  PHE  25           HD2      PHE  25   6.348   7.719  -2.753
  194    HE1  PHE  25           HE1      PHE  25   6.859  12.011  -5.090
  195    HE2  PHE  25           HE2      PHE  25   6.367   9.815  -1.477
  196    HZ   PHE  25           HZ       PHE  25   6.622  11.965  -2.644
  197    H    ARG  26           H        ARG  26   6.153   4.686  -5.191
  198    HA   ARG  26           HA       ARG  26   6.446   3.727  -7.918
  199   1HB   ARG  26          1HB       ARG  26   7.121   2.357  -5.323
  200   2HB   ARG  26          2HB       ARG  26   7.329   1.620  -6.896
  201   1HG   ARG  26          1HG       ARG  26   9.412   2.344  -6.294
  202   2HG   ARG  26          2HG       ARG  26   8.861   3.587  -7.423
  203   1HD   ARG  26          1HD       ARG  26   8.170   4.916  -5.413
  204   2HD   ARG  26          2HD       ARG  26   8.972   3.700  -4.426
  205    HE   ARG  26           HE       ARG  26  10.499   5.036  -6.515
  206   1HH1  ARG  26          1HH1      ARG  26  10.154   4.310  -3.058
  207   2HH1  ARG  26          2HH1      ARG  26  11.430   5.309  -2.582
  208   1HH2  ARG  26          1HH2      ARG  26  12.281   6.323  -5.874
  209   2HH2  ARG  26          2HH2      ARG  26  12.701   6.481  -4.218
  210    H    GLU  27           H        GLU  27   4.533   3.036  -5.148
  211    HA   GLU  27           HA       GLU  27   3.282   0.775  -6.350
  212   1HB   GLU  27          1HB       GLU  27   3.096   2.113  -3.791
  213   2HB   GLU  27          2HB       GLU  27   1.655   1.208  -4.296
  214   1HG   GLU  27          1HG       GLU  27   2.908  -0.751  -4.381
  215   2HG   GLU  27          2HG       GLU  27   4.431   0.135  -4.225
  216    H    CYS  28           H        CYS  28   2.807   3.997  -6.985
  217    HA   CYS  28           HA       CYS  28   0.064   4.208  -7.143
  218   1HB   CYS  28          1HB       CYS  28   1.534   6.087  -7.742
  219   2HB   CYS  28          2HB       CYS  28   2.042   5.242  -9.197
  220    HG   CYS  28           HG       CYS  28  -0.993   5.190  -9.704
  221    H    ALA  29           H        ALA  29   2.269   2.641  -9.448
  222    HA   ALA  29           HA       ALA  29   0.258   1.847 -11.296
  223   1HB   ALA  29          1HB       ALA  29   2.965   0.618 -10.815
  224   2HB   ALA  29          2HB       ALA  29   2.650   1.972 -11.898
  225   3HB   ALA  29          3HB       ALA  29   1.946   0.391 -12.236
  226    H    ALA  30           H        ALA  30   1.682   0.377  -8.520
  227    HA   ALA  30           HA       ALA  30   0.451  -2.109  -8.714
  228   1HB   ALA  30          1HB       ALA  30   0.966  -2.392  -6.397
  229   2HB   ALA  30          2HB       ALA  30   1.116  -0.651  -6.184
  230   3HB   ALA  30          3HB       ALA  30   2.298  -1.514  -7.163
  231    H    MET  31           H        MET  31  -0.493   0.784  -6.914
  232    HA   MET  31           HA       MET  31  -2.708  -0.172  -5.605
  233   1HB   MET  31          1HB       MET  31  -3.400   1.984  -5.118
  234   2HB   MET  31          2HB       MET  31  -1.675   2.155  -5.352
  235   1HG   MET  31          1HG       MET  31  -1.951   3.234  -7.423
  236   2HG   MET  31          2HG       MET  31  -3.629   2.721  -7.555
  237   1HE   MET  31          1HE       MET  31  -5.348   4.932  -4.813
  238   2HE   MET  31          2HE       MET  31  -4.612   3.380  -4.471
  239   3HE   MET  31          3HE       MET  31  -5.551   3.603  -5.952
  240    H    ILE  32           H        ILE  32  -2.581   0.829  -8.921
  241    HA   ILE  32           HA       ILE  32  -5.360   1.068  -9.296
  242    HB   ILE  32           HB       ILE  32  -3.107   0.443 -11.199
  243   1HG1  ILE  32          1HG1      ILE  32  -2.878   2.623 -10.179
  244   2HG1  ILE  32          2HG1      ILE  32  -3.296   2.808 -11.876
  245   1HG2  ILE  32          1HG2      ILE  32  -5.191  -0.322 -12.211
  246   2HG2  ILE  32          2HG2      ILE  32  -4.643   1.142 -13.033
  247   3HG2  ILE  32          3HG2      ILE  32  -5.959   1.227 -11.863
  248   1HD1  ILE  32          1HD1      ILE  32  -5.165   3.145  -9.532
  249   2HD1  ILE  32          2HD1      ILE  32  -5.617   3.288 -11.229
  250   3HD1  ILE  32          3HD1      ILE  32  -4.471   4.427 -10.525
  251    H    GLU  33           H        GLU  33  -3.174  -1.627  -9.819
  252    HA   GLU  33           HA       GLU  33  -5.425  -3.317 -10.489
  253   1HB   GLU  33          1HB       GLU  33  -2.468  -3.975 -10.384
  254   2HB   GLU  33          2HB       GLU  33  -3.750  -4.919 -11.137
  255   1HG   GLU  33          1HG       GLU  33  -4.183  -3.193 -12.760
  256   2HG   GLU  33          2HG       GLU  33  -3.022  -2.136 -11.975
  257    H    LYS  34           H        LYS  34  -3.551  -2.446  -7.833
  258    HA   LYS  34           HA       LYS  34  -3.743  -4.698  -6.108
  259   1HB   LYS  34          1HB       LYS  34  -2.467  -2.251  -6.173
  260   2HB   LYS  34          2HB       LYS  34  -3.733  -1.956  -4.999
  261   1HG   LYS  34          1HG       LYS  34  -2.864  -3.509  -3.514
  262   2HG   LYS  34          2HG       LYS  34  -1.864  -4.276  -4.756
  263   1HD   LYS  34          1HD       LYS  34  -0.371  -2.991  -3.409
  264   2HD   LYS  34          2HD       LYS  34  -0.579  -2.116  -4.920
  265   1HE   LYS  34          1HE       LYS  34  -2.221  -0.598  -3.751
  266   2HE   LYS  34          2HE       LYS  34  -1.892  -1.459  -2.260
  267   1HZ   LYS  34          1HZ       LYS  34   0.456  -0.609  -2.325
  268   2HZ   LYS  34          2HZ       LYS  34  -0.606   0.679  -2.477
  269   3HZ   LYS  34          3HZ       LYS  34   0.137   0.097  -3.803
  270    H    LYS  35           H        LYS  35  -5.748  -2.025  -7.036
  271    HA   LYS  35           HA       LYS  35  -7.687  -2.592  -5.029
  272   1HB   LYS  35          1HB       LYS  35  -7.212  -0.250  -5.705
  273   2HB   LYS  35          2HB       LYS  35  -7.808  -0.595  -7.316
  274   1HG   LYS  35          1HG       LYS  35  -9.627  -1.030  -4.989
  275   2HG   LYS  35          2HG       LYS  35  -9.313   0.617  -5.524
  276   1HD   LYS  35          1HD       LYS  35 -10.258   0.207  -7.647
  277   2HD   LYS  35          2HD       LYS  35 -10.187  -1.540  -7.424
  278   1HE   LYS  35          1HE       LYS  35 -11.901   0.289  -5.753
  279   2HE   LYS  35          2HE       LYS  35 -12.467  -0.521  -7.215
  280   1HZ   LYS  35          1HZ       LYS  35 -12.067  -2.642  -6.196
  281   2HZ   LYS  35          2HZ       LYS  35 -13.036  -1.743  -5.157
  282   3HZ   LYS  35          3HZ       LYS  35 -11.406  -1.951  -4.815
  283    H    ALA  36           H        ALA  36  -6.968  -3.774  -8.121
  284    HA   ALA  36           HA       ALA  36  -9.621  -4.363  -9.007
  285   1HB   ALA  36          1HB       ALA  36  -7.013  -5.678  -9.805
  286   2HB   ALA  36          2HB       ALA  36  -7.744  -4.284 -10.598
  287   3HB   ALA  36          3HB       ALA  36  -8.550  -5.852 -10.650
  288    H    ARG  37           H        ARG  37  -7.092  -6.260  -7.453
  289    HA   ARG  37           HA       ARG  37  -9.002  -7.659  -5.865
  290   1HB   ARG  37          1HB       ARG  37  -9.051  -8.958  -8.042
  291   2HB   ARG  37          2HB       ARG  37  -7.355  -9.335  -7.754
  292   1HG   ARG  37          1HG       ARG  37  -8.075 -10.339  -5.557
  293   2HG   ARG  37          2HG       ARG  37  -9.733 -10.185  -6.132
  294   1HD   ARG  37          1HD       ARG  37  -7.506 -11.827  -7.322
  295   2HD   ARG  37          2HD       ARG  37  -9.007 -12.401  -6.610
  296    HE   ARG  37           HE       ARG  37  -8.800 -10.927  -9.148
  297   1HH1  ARG  37          1HH1      ARG  37 -10.526 -13.248  -7.080
  298   2HH1  ARG  37          2HH1      ARG  37 -11.518 -13.818  -8.322
  299   1HH2  ARG  37          1HH2      ARG  37 -10.183 -11.754 -10.874
  300   2HH2  ARG  37          2HH2      ARG  37 -11.355 -12.921 -10.485
  301    H    ARG  38           H        ARG  38  -5.817  -8.528  -7.156
  302    HA   ARG  38           HA       ARG  38  -4.529  -7.645  -4.811
  303   1HB   ARG  38          1HB       ARG  38  -3.653  -9.864  -4.088
  304   2HB   ARG  38          2HB       ARG  38  -5.400  -9.756  -3.957
  305   1HG   ARG  38          1HG       ARG  38  -5.739 -11.104  -5.842
  306   2HG   ARG  38          2HG       ARG  38  -4.015 -11.092  -6.231
  307   1HD   ARG  38          1HD       ARG  38  -4.676 -13.151  -5.148
  308   2HD   ARG  38          2HD       ARG  38  -3.524 -12.231  -4.173
  309    HE   ARG  38           HE       ARG  38  -6.041 -11.492  -3.314
  310   1HH1  ARG  38          1HH1      ARG  38  -4.280 -14.563  -3.451
  311   2HH1  ARG  38          2HH1      ARG  38  -4.984 -15.171  -2.015
  312   1HH2  ARG  38          1HH2      ARG  38  -6.944 -12.295  -1.358
  313   2HH2  ARG  38          2HH2      ARG  38  -6.551 -13.849  -0.793
  314    H    VAL  39           H        VAL  39  -2.642  -6.885  -5.583
  315    HA   VAL  39           HA       VAL  39  -1.345  -8.355  -7.731
  316    HB   VAL  39           HB       VAL  39  -2.157  -5.467  -7.781
  317   1HG1  VAL  39          1HG1      VAL  39  -0.058  -6.746  -9.583
  318   2HG1  VAL  39          2HG1      VAL  39   0.260  -5.494  -8.386
  319   3HG1  VAL  39          3HG1      VAL  39  -0.729  -5.129  -9.798
  320   1HG2  VAL  39          1HG2      VAL  39  -2.841  -6.124 -10.093
  321   2HG2  VAL  39          2HG2      VAL  39  -3.702  -6.942  -8.791
  322   3HG2  VAL  39          3HG2      VAL  39  -2.426  -7.779  -9.672
  323    H    VAL  40           H        VAL  40   0.790  -8.126  -7.858
  324    HA   VAL  40           HA       VAL  40   2.033  -7.030  -5.469
  325    HB   VAL  40           HB       VAL  40   2.391  -9.479  -5.691
  326   1HG1  VAL  40          1HG1      VAL  40   3.809  -8.845  -8.266
  327   2HG1  VAL  40          2HG1      VAL  40   2.262  -9.663  -8.107
  328   3HG1  VAL  40          3HG1      VAL  40   3.729 -10.428  -7.491
  329   1HG2  VAL  40          1HG2      VAL  40   4.166  -8.182  -4.602
  330   2HG2  VAL  40          2HG2      VAL  40   4.946  -7.938  -6.163
  331   3HG2  VAL  40          3HG2      VAL  40   4.834  -9.559  -5.481
  332    H    HIS  41           H        HIS  41   3.963  -5.711  -5.742
  333    HA   HIS  41           HA       HIS  41   4.494  -4.948  -8.520
  334   1HB   HIS  41          1HB       HIS  41   3.008  -3.382  -7.035
  335   2HB   HIS  41          2HB       HIS  41   4.537  -2.963  -6.281
  336    HD1  HIS  41           HD1      HIS  41   6.078  -1.249  -7.641
  337    HD2  HIS  41           HD2      HIS  41   2.699  -2.544  -9.721
  338    HE1  HIS  41           HE1      HIS  41   5.847   0.194  -9.673
  339    H    ILE  42           H        ILE  42   6.610  -5.091  -8.896
  340    HA   ILE  42           HA       ILE  42   8.380  -5.503  -6.667
  341    HB   ILE  42           HB       ILE  42   8.770  -6.865  -8.718
  342   1HG1  ILE  42          1HG1      ILE  42  11.030  -4.896  -8.284
  343   2HG1  ILE  42          2HG1      ILE  42  10.719  -6.316  -7.298
  344   1HG2  ILE  42          1HG2      ILE  42   7.959  -5.374 -10.420
  345   2HG2  ILE  42          2HG2      ILE  42   9.622  -5.833 -10.798
  346   3HG2  ILE  42          3HG2      ILE  42   9.279  -4.248 -10.111
  347   1HD1  ILE  42          1HD1      ILE  42  11.173  -7.747  -9.234
  348   2HD1  ILE  42          2HD1      ILE  42  12.541  -6.701  -8.861
  349   3HD1  ILE  42          3HD1      ILE  42  11.481  -6.313 -10.215
  350    H    LYS  43           H        LYS  43   9.813  -3.959  -5.902
  351    HA   LYS  43           HA       LYS  43  10.521  -1.919  -5.375
  352   1HB   LYS  43          1HB       LYS  43  10.288  -1.418  -8.354
  353   2HB   LYS  43          2HB       LYS  43  10.746  -0.135  -7.249
  354   1HG   LYS  43          1HG       LYS  43  12.680  -1.526  -6.551
  355   2HG   LYS  43          2HG       LYS  43  12.229  -2.690  -7.797
  356   1HD   LYS  43          1HD       LYS  43  12.544  -1.043  -9.525
  357   2HD   LYS  43          2HD       LYS  43  12.828   0.218  -8.324
  358   1HE   LYS  43          1HE       LYS  43  14.833  -0.983  -7.565
  359   2HE   LYS  43          2HE       LYS  43  14.548  -2.214  -8.794
  360   1HZ   LYS  43          1HZ       LYS  43  16.199  -0.575  -9.492
  361   2HZ   LYS  43          2HZ       LYS  43  15.101   0.653  -9.284
  362   3HZ   LYS  43          3HZ       LYS  43  14.836  -0.495 -10.496
  363    HA   PRO  44           HA       PRO  44   6.352  -0.214  -5.185
  364   1HB   PRO  44          1HB       PRO  44   5.518  -1.315  -2.897
  365   2HB   PRO  44          2HB       PRO  44   5.458  -2.207  -4.419
  366   1HG   PRO  44          1HG       PRO  44   7.262  -2.546  -2.114
  367   2HG   PRO  44          2HG       PRO  44   6.787  -3.720  -3.349
  368   1HD   PRO  44          1HD       PRO  44   9.172  -2.183  -3.218
  369   2HD   PRO  44          2HD       PRO  44   8.648  -3.340  -4.462
  370    H    GLY  45           H        GLY  45   5.721   1.561  -3.915
  371   1HA   GLY  45          1HA       GLY  45   7.174   2.228  -1.560
  372   2HA   GLY  45          2HA       GLY  45   7.670   3.177  -2.949
  373    H    GLU  46           H        GLU  46   4.653   2.068  -1.487
  374    HA   GLU  46           HA       GLU  46   3.773   4.815  -1.651
  375   1HB   GLU  46          1HB       GLU  46   2.339   3.607  -3.000
  376   2HB   GLU  46          2HB       GLU  46   2.239   2.247  -1.881
  377   1HG   GLU  46          1HG       GLU  46   0.861   3.547  -0.433
  378   2HG   GLU  46          2HG       GLU  46   1.118   4.988  -1.420
  379    H    LYS  47           H        LYS  47   3.845   5.851   0.037
  380    HA   LYS  47           HA       LYS  47   3.760   4.575   2.624
  381   1HB   LYS  47          1HB       LYS  47   4.437   7.351   1.758
  382   2HB   LYS  47          2HB       LYS  47   4.492   6.764   3.411
  383   1HG   LYS  47          1HG       LYS  47   6.223   5.413   3.064
  384   2HG   LYS  47          2HG       LYS  47   6.026   5.340   1.299
  385   1HD   LYS  47          1HD       LYS  47   6.823   7.649   2.952
  386   2HD   LYS  47          2HD       LYS  47   7.935   6.591   2.019
  387   1HE   LYS  47          1HE       LYS  47   6.710   7.336  -0.043
  388   2HE   LYS  47          2HE       LYS  47   5.769   8.433   0.956
  389   1HZ   LYS  47          1HZ       LYS  47   8.662   8.619   0.357
  390   2HZ   LYS  47          2HZ       LYS  47   7.922   9.373   1.671
  391   3HZ   LYS  47          3HZ       LYS  47   7.453   9.815   0.162
  392    H    ILE  48           H        ILE  48   1.870   4.189   2.397
  393    HA   ILE  48           HA       ILE  48  -0.150   6.263   2.248
  394    HB   ILE  48           HB       ILE  48  -1.738   4.303   2.772
  395   1HG1  ILE  48          1HG1      ILE  48   0.596   2.769   1.594
  396   2HG1  ILE  48          2HG1      ILE  48  -0.064   2.582   3.211
  397   1HG2  ILE  48          1HG2      ILE  48  -2.100   5.460   0.900
  398   2HG2  ILE  48          2HG2      ILE  48  -1.914   3.802   0.319
  399   3HG2  ILE  48          3HG2      ILE  48  -0.593   4.962   0.141
  400   1HD1  ILE  48          1HD1      ILE  48  -0.771   0.777   1.742
  401   2HD1  ILE  48          2HD1      ILE  48  -1.499   1.946   0.638
  402   3HD1  ILE  48          3HD1      ILE  48  -2.150   1.743   2.265
  403    H    LEU  49           H        LEU  49  -0.245   7.417   4.034
  404    HA   LEU  49           HA       LEU  49  -0.908   8.010   6.127
  405   1HB   LEU  49          1HB       LEU  49  -1.616   5.100   6.453
  406   2HB   LEU  49          2HB       LEU  49  -1.966   6.346   7.611
  407    HG   LEU  49           HG       LEU  49  -3.674   7.276   6.111
  408   1HD1  LEU  49          1HD1      LEU  49  -2.623   6.724   3.943
  409   2HD1  LEU  49          2HD1      LEU  49  -4.307   6.222   4.089
  410   3HD1  LEU  49          3HD1      LEU  49  -3.018   5.028   4.242
  411   1HD2  LEU  49          1HD2      LEU  49  -3.810   4.314   6.436
  412   2HD2  LEU  49          2HD2      LEU  49  -5.179   5.398   6.196
  413   3HD2  LEU  49          3HD2      LEU  49  -4.203   5.514   7.660
  414    H    GLY  50           H        GLY  50   1.405   5.589   5.622
  415   1HA   GLY  50          1HA       GLY  50   3.387   5.222   6.824
  416   2HA   GLY  50          2HA       GLY  50   2.707   6.140   8.174
  417    H    ALA  51           H        ALA  51   0.232   4.300   7.271
  418    HA   ALA  51           HA       ALA  51   0.809   1.779   8.496
  419   1HB   ALA  51          1HB       ALA  51  -1.112   3.752   9.752
  420   2HB   ALA  51          2HB       ALA  51   0.392   3.183  10.472
  421   3HB   ALA  51          3HB       ALA  51  -0.942   2.058  10.211
  422    H    ARG  52           H        ARG  52  -0.762   0.312   7.793
  423    HA   ARG  52           HA       ARG  52  -2.426   1.292   5.622
  424   1HB   ARG  52          1HB       ARG  52  -2.084  -1.514   6.675
  425   2HB   ARG  52          2HB       ARG  52  -2.906  -1.068   5.193
  426   1HG   ARG  52          1HG       ARG  52  -0.857  -0.344   4.181
  427   2HG   ARG  52          2HG       ARG  52   0.016  -0.545   5.702
  428   1HD   ARG  52          1HD       ARG  52  -1.269  -2.745   4.076
  429   2HD   ARG  52          2HD       ARG  52   0.461  -2.427   4.227
  430    HE   ARG  52           HE       ARG  52  -0.950  -2.830   6.690
  431   1HH1  ARG  52          1HH1      ARG  52   0.984  -4.469   4.134
  432   2HH1  ARG  52          2HH1      ARG  52   1.413  -5.764   5.160
  433   1HH2  ARG  52          1HH2      ARG  52  -0.322  -4.719   8.007
  434   2HH2  ARG  52          2HH2      ARG  52   0.629  -5.952   7.296
  435    H    ILE  53           H        ILE  53  -4.245   2.311   6.348
  436    HA   ILE  53           HA       ILE  53  -5.940   0.824   8.204
  437    HB   ILE  53           HB       ILE  53  -5.722   3.861   8.027
  438   1HG1  ILE  53          1HG1      ILE  53  -4.723   2.046  10.250
  439   2HG1  ILE  53          2HG1      ILE  53  -3.689   2.833   9.064
  440   1HG2  ILE  53          1HG2      ILE  53  -7.136   3.825  10.047
  441   2HG2  ILE  53          2HG2      ILE  53  -7.232   2.068   9.939
  442   3HG2  ILE  53          3HG2      ILE  53  -7.935   3.068   8.667
  443   1HD1  ILE  53          1HD1      ILE  53  -4.373   5.015   9.920
  444   2HD1  ILE  53          2HD1      ILE  53  -3.684   4.012  11.198
  445   3HD1  ILE  53          3HD1      ILE  53  -5.431   4.227  11.088
  446    H    ILE  54           H        ILE  54  -7.475   0.119   6.918
  447    HA   ILE  54           HA       ILE  54  -8.113   1.253   4.382
  448    HB   ILE  54           HB       ILE  54  -9.626  -0.818   6.028
  449   1HG1  ILE  54          1HG1      ILE  54  -8.652  -2.470   4.322
  450   2HG1  ILE  54          2HG1      ILE  54  -7.537  -1.198   3.869
  451   1HG2  ILE  54          1HG2      ILE  54 -11.056   0.208   4.378
  452   2HG2  ILE  54          2HG2      ILE  54 -10.740  -1.480   3.985
  453   3HG2  ILE  54          3HG2      ILE  54  -9.911  -0.198   3.102
  454   1HD1  ILE  54          1HD1      ILE  54  -6.527  -2.824   5.376
  455   2HD1  ILE  54          2HD1      ILE  54  -7.744  -2.462   6.602
  456   3HD1  ILE  54          3HD1      ILE  54  -6.584  -1.226   6.112
  457    H    GLY  55           H        GLY  55  -9.382   1.258   7.512
  458   1HA   GLY  55          1HA       GLY  55 -10.728   2.949   8.559
  459   2HA   GLY  55          2HA       GLY  55 -11.237   3.481   6.955
  460    H    ILE  56           H        ILE  56 -11.663   0.883   6.049
  461    HA   ILE  56           HA       ILE  56 -14.297   0.344   7.151
  462    HB   ILE  56           HB       ILE  56 -12.968  -0.708   4.591
  463   1HG1  ILE  56          1HG1      ILE  56 -15.057   1.446   4.994
  464   2HG1  ILE  56          2HG1      ILE  56 -13.375   1.722   4.563
  465   1HG2  ILE  56          1HG2      ILE  56 -15.182  -1.469   3.955
  466   2HG2  ILE  56          2HG2      ILE  56 -15.837  -0.904   5.492
  467   3HG2  ILE  56          3HG2      ILE  56 -14.677  -2.231   5.469
  468   1HD1  ILE  56          1HD1      ILE  56 -14.817   1.906   2.639
  469   2HD1  ILE  56          2HD1      ILE  56 -15.415   0.267   2.905
  470   3HD1  ILE  56          3HD1      ILE  56 -13.725   0.533   2.467
  471    HA   PRO  57           HA       PRO  57 -12.451  -3.268   9.132
  472   1HB   PRO  57          1HB       PRO  57 -15.127  -4.414   9.364
  473   2HB   PRO  57          2HB       PRO  57 -14.064  -3.826  10.640
  474   1HG   PRO  57          1HG       PRO  57 -16.345  -2.559   9.913
  475   2HG   PRO  57          2HG       PRO  57 -14.935  -1.703  10.569
  476   1HD   PRO  57          1HD       PRO  57 -15.878  -1.976   7.753
  477   2HD   PRO  57          2HD       PRO  57 -15.193  -0.571   8.603
  478    HA   PRO  58           HA       PRO  58 -12.898  -6.075   5.560
  479   1HB   PRO  58          1HB       PRO  58 -10.324  -6.322   5.042
  480   2HB   PRO  58          2HB       PRO  58 -11.142  -4.790   4.718
  481   1HG   PRO  58          1HG       PRO  58  -9.176  -5.446   6.828
  482   2HG   PRO  58          2HG       PRO  58  -9.595  -3.873   6.134
  483   1HD   PRO  58          1HD       PRO  58 -10.595  -5.101   8.576
  484   2HD   PRO  58          2HD       PRO  58 -10.878  -3.461   7.942
  485    H    VAL  59           H        VAL  59 -11.278  -8.040   5.151
  486    HA   VAL  59           HA       VAL  59 -11.620  -9.799   7.387
  487    HB   VAL  59           HB       VAL  59 -10.246 -10.263   4.720
  488   1HG1  VAL  59          1HG1      VAL  59  -9.475 -11.864   6.395
  489   2HG1  VAL  59          2HG1      VAL  59 -10.511 -12.673   5.219
  490   3HG1  VAL  59          3HG1      VAL  59 -11.141 -12.258   6.813
  491   1HG2  VAL  59          1HG2      VAL  59 -13.016 -11.022   5.635
  492   2HG2  VAL  59          2HG2      VAL  59 -12.299 -11.427   4.074
  493   3HG2  VAL  59          3HG2      VAL  59 -12.616  -9.741   4.494
  494    HA   PRO  60           HA       PRO  60  -7.624  -8.451   8.958
  495   1HB   PRO  60          1HB       PRO  60  -7.858  -9.465  11.404
  496   2HB   PRO  60          2HB       PRO  60  -8.895  -8.136  10.870
  497   1HG   PRO  60          1HG       PRO  60  -9.502 -11.063  10.995
  498   2HG   PRO  60          2HG       PRO  60 -10.493  -9.710  11.560
  499   1HD   PRO  60          1HD       PRO  60 -10.841 -10.962   9.157
  500   2HD   PRO  60          2HD       PRO  60 -11.277  -9.264   9.452
  501    H    ILE  61           H        ILE  61  -7.332 -10.644   7.206
  502    HA   ILE  61           HA       ILE  61  -5.648 -12.432   8.810
  503    HB   ILE  61           HB       ILE  61  -7.009 -13.011   6.131
  504   1HG1  ILE  61          1HG1      ILE  61  -7.569 -14.153   8.879
  505   2HG1  ILE  61          2HG1      ILE  61  -8.568 -12.965   8.061
  506   1HG2  ILE  61          1HG2      ILE  61  -5.387 -14.864   7.898
  507   2HG2  ILE  61          2HG2      ILE  61  -4.846 -14.188   6.365
  508   3HG2  ILE  61          3HG2      ILE  61  -6.205 -15.314   6.400
  509   1HD1  ILE  61          1HD1      ILE  61  -8.057 -15.792   7.145
  510   2HD1  ILE  61          2HD1      ILE  61  -9.066 -14.606   6.311
  511   3HD1  ILE  61          3HD1      ILE  61  -9.530 -15.189   7.909
  512    H    GLY  62           H        GLY  62  -3.508 -12.963   7.735
  513   1HA   GLY  62          1HA       GLY  62  -2.685 -12.005   5.305
  514   2HA   GLY  62          2HA       GLY  62  -2.484 -10.658   6.420
  515    H    ILE  63           H        ILE  63  -0.513 -11.968   4.891
  516    HA   ILE  63           HA       ILE  63   1.118 -12.864   7.100
  517    HB   ILE  63           HB       ILE  63   2.399 -14.279   5.527
  518   1HG1  ILE  63          1HG1      ILE  63   0.004 -13.997   3.688
  519   2HG1  ILE  63          2HG1      ILE  63   1.599 -13.325   3.392
  520   1HG2  ILE  63          1HG2      ILE  63  -0.468 -15.042   6.011
  521   2HG2  ILE  63          2HG2      ILE  63   0.894 -15.300   7.104
  522   3HG2  ILE  63          3HG2      ILE  63   0.802 -16.179   5.575
  523   1HD1  ILE  63          1HD1      ILE  63   0.932 -16.255   3.581
  524   2HD1  ILE  63          2HD1      ILE  63   2.530 -15.578   3.264
  525   3HD1  ILE  63          3HD1      ILE  63   1.228 -15.350   2.096
  526    H    ASP  64           H        ASP  64   2.082 -10.974   7.448
  527    HA   ASP  64           HA       ASP  64   3.453  -9.639   5.263
  528   1HB   ASP  64          1HB       ASP  64   3.244  -8.985   8.229
  529   2HB   ASP  64          2HB       ASP  64   4.304  -8.110   7.140
  530    H    GLU  65           H        GLU  65   5.050 -10.975   4.597
  531    HA   GLU  65           HA       GLU  65   6.577 -12.509   6.436
  532   1HB   GLU  65          1HB       GLU  65   6.947 -11.960   3.504
  533   2HB   GLU  65          2HB       GLU  65   7.869 -13.137   4.430
  534   1HG   GLU  65          1HG       GLU  65   4.892 -13.176   4.012
  535   2HG   GLU  65          2HG       GLU  65   6.069 -14.182   3.166
  536    H    GLU  66           H        GLU  66   7.392  -9.860   4.252
  537    HA   GLU  66           HA       GLU  66   9.152  -8.610   6.037
  538   1HB   GLU  66          1HB       GLU  66  10.283 -10.830   4.990
  539   2HB   GLU  66          2HB       GLU  66  10.506  -9.762   3.618
  540   1HG   GLU  66          1HG       GLU  66  11.428  -8.979   6.329
  541   2HG   GLU  66          2HG       GLU  66  12.408 -10.046   5.309
  542    H    ARG  67           H        ARG  67  10.174  -6.795   4.571
  543    HA   ARG  67           HA       ARG  67   7.965  -5.892   2.950
  544   1HB   ARG  67          1HB       ARG  67   9.477  -4.590   4.713
  545   2HB   ARG  67          2HB       ARG  67  10.409  -4.224   3.270
  546   1HG   ARG  67          1HG       ARG  67   7.476  -3.622   3.655
  547   2HG   ARG  67          2HG       ARG  67   8.800  -2.471   3.832
  548   1HD   ARG  67          1HD       ARG  67   9.269  -2.486   1.547
  549   2HD   ARG  67          2HD       ARG  67   8.340  -3.958   1.269
  550    HE   ARG  67           HE       ARG  67   6.411  -2.361   2.105
  551   1HH1  ARG  67          1HH1      ARG  67   9.005  -1.471  -0.101
  552   2HH1  ARG  67          2HH1      ARG  67   8.051  -0.478  -1.103
  553   1HH2  ARG  67          1HH2      ARG  67   5.015  -0.995   0.735
  554   2HH2  ARG  67          2HH2      ARG  67   5.599  -0.256  -0.616
  555    H    SER  68           H        SER  68  11.271  -6.835   2.720
  556    HA   SER  68           HA       SER  68  11.377  -6.327  -0.111
  557   1HB   SER  68          1HB       SER  68  13.399  -7.454   1.813
  558   2HB   SER  68          2HB       SER  68  13.724  -6.821   0.186
  559    HG   SER  68           HG       SER  68  13.838  -4.978   1.015
  560    H    THR  69           H        THR  69   9.557  -8.153   0.888
  561    HA   THR  69           HA       THR  69  10.113 -10.475  -0.713
  562    HB   THR  69           HB       THR  69   9.310 -10.751   2.226
  563    HG1  THR  69           HG1      THR  69  11.727 -10.487   1.077
  564   1HG2  THR  69          1HG2      THR  69   8.456 -12.568   0.788
  565   2HG2  THR  69          2HG2      THR  69   9.705 -13.162   1.881
  566   3HG2  THR  69          3HG2      THR  69  10.089 -12.857   0.187
  567    H    VAL  70           H        VAL  70   7.854 -11.720  -0.751
  568    HA   VAL  70           HA       VAL  70   5.936  -9.677  -1.272
  569    HB   VAL  70           HB       VAL  70   4.442 -11.607  -2.006
  570   1HG1  VAL  70          1HG1      VAL  70   5.702 -10.284  -3.590
  571   2HG1  VAL  70          2HG1      VAL  70   5.701 -11.979  -4.082
  572   3HG1  VAL  70          3HG1      VAL  70   7.131 -11.281  -3.321
  573   1HG2  VAL  70          1HG2      VAL  70   5.510 -13.395  -0.719
  574   2HG2  VAL  70          2HG2      VAL  70   6.996 -13.191  -1.647
  575   3HG2  VAL  70          3HG2      VAL  70   5.528 -13.761  -2.443
  576    H    MET  71           H        MET  71   4.938  -8.790   0.297
  577    HA   MET  71           HA       MET  71   3.993 -10.419   2.507
  578   1HB   MET  71          1HB       MET  71   3.191  -8.324   3.535
  579   2HB   MET  71          2HB       MET  71   4.872  -8.160   3.059
  580   1HG   MET  71          1HG       MET  71   4.207  -6.847   1.119
  581   2HG   MET  71          2HG       MET  71   2.510  -7.078   1.526
  582   1HE   MET  71          1HE       MET  71   5.461  -4.636   4.097
  583   2HE   MET  71          2HE       MET  71   5.902  -5.466   2.605
  584   3HE   MET  71          3HE       MET  71   5.479  -6.398   4.044
  585    H    ILE  72           H        ILE  72   2.019 -11.270   2.551
  586    HA   ILE  72           HA       ILE  72   0.155 -10.267   0.530
  587    HB   ILE  72           HB       ILE  72   0.422 -13.185   1.357
  588   1HG1  ILE  72          1HG1      ILE  72   1.230 -11.866  -1.254
  589   2HG1  ILE  72          2HG1      ILE  72   2.357 -12.375  -0.004
  590   1HG2  ILE  72          1HG2      ILE  72  -1.852 -12.570   0.702
  591   2HG2  ILE  72          2HG2      ILE  72  -1.120 -13.608  -0.521
  592   3HG2  ILE  72          3HG2      ILE  72  -1.249 -11.873  -0.801
  593   1HD1  ILE  72          1HD1      ILE  72   1.667 -14.698  -0.352
  594   2HD1  ILE  72          2HD1      ILE  72   2.278 -13.965  -1.836
  595   3HD1  ILE  72          3HD1      ILE  72   0.542 -14.169  -1.602
  596    HA   PRO  73           HA       PRO  73  -1.975 -10.169   4.491
  597   1HB   PRO  73          1HB       PRO  73  -3.131  -7.619   3.764
  598   2HB   PRO  73          2HB       PRO  73  -1.923  -7.938   5.010
  599   1HG   PRO  73          1HG       PRO  73  -1.426  -6.537   2.677
  600   2HG   PRO  73          2HG       PRO  73  -0.189  -7.347   3.652
  601   1HD   PRO  73          1HD       PRO  73  -1.539  -8.278   1.153
  602   2HD   PRO  73          2HD       PRO  73   0.156  -8.460   1.659
  603    H    TYR  74           H        TYR  74  -3.888 -11.285   4.465
  604    HA   TYR  74           HA       TYR  74  -5.459 -11.304   2.042
  605   1HB   TYR  74          1HB       TYR  74  -5.676 -13.038   4.519
  606   2HB   TYR  74          2HB       TYR  74  -6.593 -13.262   3.037
  607    HD1  TYR  74           HD1      TYR  74  -5.409 -14.047   0.970
  608    HD2  TYR  74           HD2      TYR  74  -3.452 -13.829   4.741
  609    HE1  TYR  74           HE1      TYR  74  -3.630 -15.531   0.137
  610    HE2  TYR  74           HE2      TYR  74  -1.681 -15.300   3.919
  611    HH   TYR  74           HH       TYR  74  -1.406 -16.988   2.234
  612    H    THR  75           H        THR  75  -5.747  -9.063   2.839
  613    HA   THR  75           HA       THR  75  -8.015  -8.839   4.624
  614    HB   THR  75           HB       THR  75  -7.525  -6.430   4.500
  615    HG1  THR  75           HG1      THR  75  -6.301  -6.836   2.393
  616   1HG2  THR  75          1HG2      THR  75  -5.177  -8.137   5.337
  617   2HG2  THR  75          2HG2      THR  75  -6.566  -7.710   6.337
  618   3HG2  THR  75          3HG2      THR  75  -5.427  -6.463   5.827
  619    H    LYS  76           H        LYS  76  -9.916  -8.734   3.651
  620    HA   LYS  76           HA       LYS  76 -10.008  -7.938   0.838
  621   1HB   LYS  76          1HB       LYS  76 -10.809 -10.218   1.261
  622   2HB   LYS  76          2HB       LYS  76 -11.950  -9.610   2.450
  623   1HG   LYS  76          1HG       LYS  76 -13.083  -8.348   0.640
  624   2HG   LYS  76          2HG       LYS  76 -11.986  -9.100  -0.521
  625   1HD   LYS  76          1HD       LYS  76 -12.799 -11.310   0.131
  626   2HD   LYS  76          2HD       LYS  76 -13.874 -10.575   1.319
  627   1HE   LYS  76          1HE       LYS  76 -13.986 -10.154  -1.668
  628   2HE   LYS  76          2HE       LYS  76 -15.066 -11.187  -0.736
  629   1HZ   LYS  76          1HZ       LYS  76 -14.811  -8.237  -0.503
  630   2HZ   LYS  76          2HZ       LYS  76 -15.830  -9.170   0.448
  631   3HZ   LYS  76          3HZ       LYS  76 -16.075  -9.064  -1.217
  632    HA   PRO  77           HA       PRO  77 -12.497  -4.528   2.628
  633   1HB   PRO  77          1HB       PRO  77 -10.862  -2.583   1.817
  634   2HB   PRO  77          2HB       PRO  77 -10.502  -3.496   3.284
  635   1HG   PRO  77          1HG       PRO  77  -9.044  -3.457   0.779
  636   2HG   PRO  77          2HG       PRO  77  -8.602  -4.244   2.302
  637   1HD   PRO  77          1HD       PRO  77  -9.906  -5.385  -0.094
  638   2HD   PRO  77          2HD       PRO  77  -9.003  -6.196   1.207
  639    H    CYS  78           H        CYS  78 -12.872  -2.374   1.402
  640    HA   CYS  78           HA       CYS  78 -14.141  -3.138  -0.994
  641   1HB   CYS  78          1HB       CYS  78 -13.694  -0.572   0.430
  642   2HB   CYS  78          2HB       CYS  78 -14.691  -0.682  -1.052
  643    HG   CYS  78           HG       CYS  78 -16.289  -2.696   0.267
  644    H    TYR  79           H        TYR  79 -11.045  -2.055  -0.208
  645    HA   TYR  79           HA       TYR  79 -10.400  -0.913  -2.743
  646   1HB   TYR  79          1HB       TYR  79  -9.290  -0.177  -0.713
  647   2HB   TYR  79          2HB       TYR  79  -8.668  -1.784  -0.435
  648    HD1  TYR  79           HD1      TYR  79  -8.337   1.267  -2.458
  649    HD2  TYR  79           HD2      TYR  79  -6.675  -2.541  -1.563
  650    HE1  TYR  79           HE1      TYR  79  -6.221   1.941  -3.502
  651    HE2  TYR  79           HE2      TYR  79  -4.570  -1.881  -2.616
  652    HH   TYR  79           HH       TYR  79  -3.928   1.338  -3.336
  653    H    GLY  80           H        GLY  80  -8.557  -3.504  -1.138
  654   1HA   GLY  80          1HA       GLY  80  -9.057  -5.701  -2.589
  655   2HA   GLY  80          2HA       GLY  80  -7.941  -4.765  -3.590
  656    H    THR  81           H        THR  81  -6.420  -6.522  -3.171
  657    HA   THR  81           HA       THR  81  -5.260  -6.469  -0.487
  658    HB   THR  81           HB       THR  81  -5.193  -8.499  -2.673
  659    HG1  THR  81           HG1      THR  81  -6.766  -8.179  -0.371
  660   1HG2  THR  81          1HG2      THR  81  -4.036  -8.679   0.116
  661   2HG2  THR  81          2HG2      THR  81  -3.119  -8.613  -1.388
  662   3HG2  THR  81          3HG2      THR  81  -4.125 -10.017  -1.028
  663    H    ALA  82           H        ALA  82  -3.155  -5.940  -0.304
  664    HA   ALA  82           HA       ALA  82  -1.736  -5.038  -2.729
  665   1HB   ALA  82          1HB       ALA  82  -0.624  -3.457  -1.264
  666   2HB   ALA  82          2HB       ALA  82  -1.474  -4.117   0.131
  667   3HB   ALA  82          3HB       ALA  82  -2.374  -3.272  -1.128
  668    H    VAL  83           H        VAL  83  -0.345  -6.501  -3.325
  669    HA   VAL  83           HA       VAL  83   1.313  -7.747  -1.259
  670    HB   VAL  83           HB       VAL  83   0.965  -8.585  -4.166
  671   1HG1  VAL  83          1HG1      VAL  83   3.059  -9.304  -3.184
  672   2HG1  VAL  83          2HG1      VAL  83   2.006 -10.697  -3.438
  673   3HG1  VAL  83          3HG1      VAL  83   2.202 -10.017  -1.822
  674   1HG2  VAL  83          1HG2      VAL  83  -1.171  -8.892  -3.038
  675   2HG2  VAL  83          2HG2      VAL  83  -0.378  -9.778  -1.738
  676   3HG2  VAL  83          3HG2      VAL  83  -0.425 -10.457  -3.365
  677    H    VAL  84           H        VAL  84   3.340  -6.902  -1.224
  678    HA   VAL  84           HA       VAL  84   4.308  -5.611  -3.672
  679    HB   VAL  84           HB       VAL  84   5.014  -3.562  -2.482
  680   1HG1  VAL  84          1HG1      VAL  84   2.179  -4.136  -1.817
  681   2HG1  VAL  84          2HG1      VAL  84   2.816  -3.474  -3.321
  682   3HG1  VAL  84          3HG1      VAL  84   2.963  -2.556  -1.823
  683   1HG2  VAL  84          1HG2      VAL  84   3.880  -4.808   0.034
  684   2HG2  VAL  84          2HG2      VAL  84   4.572  -3.192  -0.111
  685   3HG2  VAL  84          3HG2      VAL  84   5.598  -4.612  -0.312
  686    H    GLU  85           H        GLU  85   6.492  -5.786  -4.025
  687    HA   GLU  85           HA       GLU  85   8.018  -7.175  -1.951
  688   1HB   GLU  85          1HB       GLU  85   7.218  -8.809  -3.685
  689   2HB   GLU  85          2HB       GLU  85   8.116  -7.888  -4.886
  690   1HG   GLU  85          1HG       GLU  85  10.159  -8.259  -3.442
  691   2HG   GLU  85          2HG       GLU  85   9.197  -9.431  -2.553
  692    H    LEU  86           H        LEU  86   9.705  -5.965  -1.523
  693    HA   LEU  86           HA       LEU  86  10.648  -4.104  -3.546
  694   1HB   LEU  86          1HB       LEU  86  10.110  -3.307  -1.276
  695   2HB   LEU  86          2HB       LEU  86  11.345  -4.358  -0.616
  696    HG   LEU  86           HG       LEU  86  12.989  -3.043  -2.037
  697   1HD1  LEU  86          1HD1      LEU  86  12.366  -0.794  -2.663
  698   2HD1  LEU  86          2HD1      LEU  86  10.700  -1.121  -2.202
  699   3HD1  LEU  86          3HD1      LEU  86  11.438  -2.005  -3.545
  700   1HD2  LEU  86          1HD2      LEU  86  11.529  -1.644   0.204
  701   2HD2  LEU  86          2HD2      LEU  86  13.134  -1.218  -0.383
  702   3HD2  LEU  86          3HD2      LEU  86  12.862  -2.784   0.380
  703    HA   PRO  87           HA       PRO  87  14.213  -6.913  -3.922
  704   1HB   PRO  87          1HB       PRO  87  15.213  -5.941  -6.180
  705   2HB   PRO  87          2HB       PRO  87  13.641  -6.751  -6.194
  706   1HG   PRO  87          1HG       PRO  87  14.270  -3.842  -6.307
  707   2HG   PRO  87          2HG       PRO  87  12.985  -4.747  -7.119
  708   1HD   PRO  87          1HD       PRO  87  12.730  -3.256  -4.742
  709   2HD   PRO  87          2HD       PRO  87  11.556  -4.415  -5.395
  710    H    VAL  88           H        VAL  88  14.236  -4.507  -2.260
  711    HA   VAL  88           HA       VAL  88  17.073  -3.833  -2.265
  712    HB   VAL  88           HB       VAL  88  14.856  -1.855  -1.611
  713   1HG1  VAL  88          1HG1      VAL  88  16.603  -0.144  -1.706
  714   2HG1  VAL  88          2HG1      VAL  88  17.795  -1.413  -1.998
  715   3HG1  VAL  88          3HG1      VAL  88  16.896  -1.377  -0.480
  716   1HG2  VAL  88          1HG2      VAL  88  14.712  -2.250  -4.013
  717   2HG2  VAL  88          2HG2      VAL  88  16.436  -1.924  -4.187
  718   3HG2  VAL  88          3HG2      VAL  88  15.341  -0.632  -3.700
  719    H    ASP  89           H        ASP  89  17.621  -3.371   0.013
  720    HA   ASP  89           HA       ASP  89  16.249  -5.204   1.712
  721   1HB   ASP  89          1HB       ASP  89  18.640  -3.463   2.165
  722   2HB   ASP  89          2HB       ASP  89  17.891  -4.304   3.515
  723    HA   PRO  90           HA       PRO  90  13.184  -3.054   3.902
  724   1HB   PRO  90          1HB       PRO  90  13.636  -3.915   6.494
  725   2HB   PRO  90          2HB       PRO  90  12.753  -4.813   5.258
  726   1HG   PRO  90          1HG       PRO  90  15.586  -5.097   6.144
  727   2HG   PRO  90          2HG       PRO  90  14.412  -6.349   5.722
  728   1HD   PRO  90          1HD       PRO  90  16.329  -5.642   4.012
  729   2HD   PRO  90          2HD       PRO  90  14.699  -6.048   3.445
  730    H    GLU  91           H        GLU  91  16.451  -2.482   4.607
  731    HA   GLU  91           HA       GLU  91  16.400  -0.621   6.708
  732   1HB   GLU  91          1HB       GLU  91  18.500   0.277   5.729
  733   2HB   GLU  91          2HB       GLU  91  18.509  -1.474   5.824
  734   1HG   GLU  91          1HG       GLU  91  18.038  -1.655   3.482
  735   2HG   GLU  91          2HG       GLU  91  17.859   0.087   3.337
  736    H    GLU  92           H        GLU  92  15.451  -0.422   3.435
  737    HA   GLU  92           HA       GLU  92  15.281   2.311   2.874
  738   1HB   GLU  92          1HB       GLU  92  14.979   0.361   1.318
  739   2HB   GLU  92          2HB       GLU  92  13.415   0.077   2.051
  740   1HG   GLU  92          1HG       GLU  92  13.083   1.182  -0.020
  741   2HG   GLU  92          2HG       GLU  92  12.721   2.329   1.268
  742    H    ILE  93           H        ILE  93  13.339   0.233   4.911
  743    HA   ILE  93           HA       ILE  93  10.991   1.789   4.976
  744    HB   ILE  93           HB       ILE  93  12.069  -0.152   7.010
  745   1HG1  ILE  93          1HG1      ILE  93   9.954  -0.524   4.887
  746   2HG1  ILE  93          2HG1      ILE  93  11.616  -1.101   4.778
  747   1HG2  ILE  93          1HG2      ILE  93   9.279   1.010   6.782
  748   2HG2  ILE  93          2HG2      ILE  93  10.441   1.353   8.062
  749   3HG2  ILE  93          3HG2      ILE  93   9.764  -0.267   7.901
  750   1HD1  ILE  93          1HD1      ILE  93  11.238  -2.518   6.720
  751   2HD1  ILE  93          2HD1      ILE  93  10.134  -2.882   5.402
  752   3HD1  ILE  93          3HD1      ILE  93   9.566  -1.962   6.800
  753    H    GLU  94           H        GLU  94  13.945   1.831   6.961
  754    HA   GLU  94           HA       GLU  94  12.940   3.625   8.912
  755   1HB   GLU  94          1HB       GLU  94  15.786   3.396   7.947
  756   2HB   GLU  94          2HB       GLU  94  15.272   4.193   9.421
  757   1HG   GLU  94          1HG       GLU  94  14.376   1.965  10.167
  758   2HG   GLU  94          2HG       GLU  94  15.223   1.266   8.783
  759    H    ARG  95           H        ARG  95  14.415   4.082   5.822
  760    HA   ARG  95           HA       ARG  95  14.674   6.894   5.856
  761   1HB   ARG  95          1HB       ARG  95  15.788   5.327   4.306
  762   2HB   ARG  95          2HB       ARG  95  14.233   4.946   3.607
  763   1HG   ARG  95          1HG       ARG  95  14.028   7.222   2.792
  764   2HG   ARG  95          2HG       ARG  95  15.595   7.620   3.514
  765   1HD   ARG  95          1HD       ARG  95  15.061   5.527   1.441
  766   2HD   ARG  95          2HD       ARG  95  15.859   7.079   1.154
  767    HE   ARG  95           HE       ARG  95  17.306   5.857   3.153
  768   1HH1  ARG  95          1HH1      ARG  95  16.510   5.020  -0.183
  769   2HH1  ARG  95          2HH1      ARG  95  17.896   4.042  -0.399
  770   1HH2  ARG  95          1HH2      ARG  95  19.184   4.465   2.840
  771   2HH2  ARG  95          2HH2      ARG  95  19.400   3.724   1.327
  772    H    ILE  96           H        ILE  96  12.308   4.677   4.537
  773    HA   ILE  96           HA       ILE  96  10.432   6.541   3.629
  774    HB   ILE  96           HB       ILE  96  10.718   3.700   4.050
  775   1HG1  ILE  96          1HG1      ILE  96   9.896   5.319   1.660
  776   2HG1  ILE  96          2HG1      ILE  96  11.477   4.630   2.005
  777   1HG2  ILE  96          1HG2      ILE  96   8.464   3.823   4.905
  778   2HG2  ILE  96          2HG2      ILE  96   8.366   3.144   3.274
  779   3HG2  ILE  96          3HG2      ILE  96   7.976   4.844   3.556
  780   1HD1  ILE  96          1HD1      ILE  96  10.529   2.378   1.738
  781   2HD1  ILE  96          2HD1      ILE  96  10.321   3.362   0.288
  782   3HD1  ILE  96          3HD1      ILE  96   8.959   3.096   1.374
  783    H    LEU  97           H        LEU  97  10.977   5.247   6.758
  784    HA   LEU  97           HA       LEU  97   8.411   5.744   7.904
  785   1HB   LEU  97          1HB       LEU  97  10.080   4.154   8.824
  786   2HB   LEU  97          2HB       LEU  97  11.133   5.495   9.195
  787    HG   LEU  97           HG       LEU  97   9.406   6.337  10.790
  788   1HD1  LEU  97          1HD1      LEU  97   7.457   5.271   9.812
  789   2HD1  LEU  97          2HD1      LEU  97   7.646   4.816  11.507
  790   3HD1  LEU  97          3HD1      LEU  97   8.102   3.685  10.232
  791   1HD2  LEU  97          1HD2      LEU  97  10.436   3.544  11.273
  792   2HD2  LEU  97          2HD2      LEU  97   9.882   4.666  12.515
  793   3HD2  LEU  97          3HD2      LEU  97  11.320   5.042  11.567
  794    H    GLU  98           H        GLU  98  11.392   7.477   7.539
  795    HA   GLU  98           HA       GLU  98  10.573   9.732   9.140
  796   1HB   GLU  98          1HB       GLU  98  12.941   8.854   8.860
  797   2HB   GLU  98          2HB       GLU  98  12.874   9.477   7.223
  798   1HG   GLU  98          1HG       GLU  98  14.039  11.004   8.716
  799   2HG   GLU  98          2HG       GLU  98  12.575  11.727   8.048
  800    H    VAL  99           H        VAL  99  10.820   8.751   5.838
  801    HA   VAL  99           HA       VAL  99   9.912  11.317   4.784
  802    HB   VAL  99           HB       VAL  99  10.924   8.772   3.426
  803   1HG1  VAL  99          1HG1      VAL  99   9.560  10.176   1.877
  804   2HG1  VAL  99          2HG1      VAL  99  11.261  10.174   1.411
  805   3HG1  VAL  99          3HG1      VAL  99  10.580  11.565   2.255
  806   1HG2  VAL  99          1HG2      VAL  99  13.001  10.020   3.061
  807   2HG2  VAL  99          2HG2      VAL  99  12.634   9.793   4.771
  808   3HG2  VAL  99          3HG2      VAL  99  12.349  11.358   4.009
  809    H    ALA 100           H        ALA 100   8.235   9.435   6.333
  810    HA   ALA 100           HA       ALA 100   6.462   7.887   4.770
  811   1HB   ALA 100          1HB       ALA 100   5.854   9.210   7.399
  812   2HB   ALA 100          2HB       ALA 100   6.699   7.675   7.197
  813   3HB   ALA 100          3HB       ALA 100   5.016   7.829   6.689
  814    H    GLU 101           H        GLU 101   6.374  11.337   5.427
  815    HA   GLU 101           HA       GLU 101   3.718  11.415   4.310
  816   1HB   GLU 101          1HB       GLU 101   5.256  13.522   5.803
  817   2HB   GLU 101          2HB       GLU 101   3.714  13.818   5.010
  818   1HG   GLU 101          1HG       GLU 101   2.634  12.176   6.414
  819   2HG   GLU 101          2HG       GLU 101   4.178  11.776   7.164
  820    HA   PRO 102           HA       PRO 102   6.247  14.325   1.311
  821   1HB   PRO 102          1HB       PRO 102   8.566  12.453   1.354
  822   2HB   PRO 102          2HB       PRO 102   8.530  14.176   0.901
  823   1HG   PRO 102          1HG       PRO 102   9.408  13.494   3.277
  824   2HG   PRO 102          2HG       PRO 102   8.277  14.853   3.130
  825   1HD   PRO 102          1HD       PRO 102   7.772  12.064   4.061
  826   2HD   PRO 102          2HD       PRO 102   7.086  13.596   4.642
  Start of MODEL    3
    1    H    HIS   1           H        HIS   1   5.212   8.404 -12.450
    2    HA   HIS   1           HA       HIS   1   2.890   8.096 -12.364
    3   1HB   HIS   1          1HB       HIS   1   3.536   5.292 -11.357
    4   2HB   HIS   1          2HB       HIS   1   1.946   6.017 -11.463
    5    HD1  HIS   1           HD1      HIS   1   0.787   5.978 -13.811
    6    HD2  HIS   1           HD2      HIS   1   4.616   4.355 -13.741
    7    HE1  HIS   1           HE1      HIS   1   1.064   4.756 -15.974
    8    H    MET   2           H        MET   2   2.065   8.864 -10.451
    9    HA   MET   2           HA       MET   2   3.286   8.194  -7.937
   10   1HB   MET   2          1HB       MET   2   3.294  11.056  -8.969
   11   2HB   MET   2          2HB       MET   2   3.573  10.616  -7.298
   12   1HG   MET   2          1HG       MET   2   5.609   9.411  -7.995
   13   2HG   MET   2          2HG       MET   2   5.309   9.925  -9.651
   14   1HE   MET   2          1HE       MET   2   7.811  10.919  -9.701
   15   2HE   MET   2          2HE       MET   2   8.083  10.508  -8.008
   16   3HE   MET   2          3HE       MET   2   8.391  12.144  -8.577
   17    H    THR   3           H        THR   3   1.638   7.961  -6.589
   18    HA   THR   3           HA       THR   3  -0.795   9.461  -7.185
   19    HB   THR   3           HB       THR   3  -1.188   7.088  -7.447
   20    HG1  THR   3           HG1      THR   3  -2.708   6.824  -5.575
   21   1HG2  THR   3          1HG2      THR   3   0.600   6.218  -6.035
   22   2HG2  THR   3          2HG2      THR   3  -0.950   5.513  -5.569
   23   3HG2  THR   3          3HG2      THR   3  -0.238   6.797  -4.594
   24    H    PHE   4           H        PHE   4  -1.417  10.922  -5.824
   25    HA   PHE   4           HA       PHE   4  -0.605  10.666  -3.029
   26   1HB   PHE   4          1HB       PHE   4  -0.741  13.257  -4.601
   27   2HB   PHE   4          2HB       PHE   4  -0.329  13.113  -2.888
   28    HD1  PHE   4           HD1      PHE   4   1.002  13.356  -6.103
   29    HD2  PHE   4           HD2      PHE   4   1.578  11.381  -2.393
   30    HE1  PHE   4           HE1      PHE   4   3.325  12.857  -6.730
   31    HE2  PHE   4           HE2      PHE   4   3.898  10.888  -3.010
   32    HZ   PHE   4           HZ       PHE   4   4.769  11.603  -5.166
   33    H    CYS   5           H        CYS   5  -2.998  10.299  -4.927
   34    HA   CYS   5           HA       CYS   5  -5.004  11.853  -3.524
   35   1HB   CYS   5          1HB       CYS   5  -5.239   9.992  -5.898
   36   2HB   CYS   5          2HB       CYS   5  -6.515  11.028  -5.268
   37    HG   CYS   5           HG       CYS   5  -3.975  11.757  -7.304
   38    H    LEU   6           H        LEU   6  -5.193  10.846  -1.557
   39    HA   LEU   6           HA       LEU   6  -5.755   7.998  -1.588
   40   1HB   LEU   6          1HB       LEU   6  -5.536   8.081   0.902
   41   2HB   LEU   6          2HB       LEU   6  -4.077   8.449   0.036
   42    HG   LEU   6           HG       LEU   6  -4.669  10.887   0.468
   43   1HD1  LEU   6          1HD1      LEU   6  -5.937  11.325   2.548
   44   2HD1  LEU   6          2HD1      LEU   6  -6.286   9.603   2.692
   45   3HD1  LEU   6          3HD1      LEU   6  -6.967  10.525   1.354
   46   1HD2  LEU   6          1HD2      LEU   6  -3.728  10.725   2.784
   47   2HD2  LEU   6          2HD2      LEU   6  -2.821  10.054   1.453
   48   3HD2  LEU   6          3HD2      LEU   6  -3.742   8.976   2.520
   49    H    GLU   7           H        GLU   7  -7.051  11.058  -0.699
   50    HA   GLU   7           HA       GLU   7  -9.409  10.047   0.512
   51   1HB   GLU   7          1HB       GLU   7  -8.177  12.141   1.147
   52   2HB   GLU   7          2HB       GLU   7  -8.735  12.846  -0.351
   53   1HG   GLU   7          1HG       GLU   7 -11.030  12.675   0.423
   54   2HG   GLU   7          2HG       GLU   7 -10.468  11.923   1.921
   55    H    THR   8           H        THR   8  -8.459  10.617  -2.672
   56    HA   THR   8           HA       THR   8 -10.926  11.292  -3.838
   57    HB   THR   8           HB       THR   8  -8.665   9.663  -4.948
   58    HG1  THR   8           HG1      THR   8  -8.732  12.411  -5.420
   59   1HG2  THR   8          1HG2      THR   8 -10.650  11.508  -6.288
   60   2HG2  THR   8          2HG2      THR   8 -10.652   9.749  -6.381
   61   3HG2  THR   8          3HG2      THR   8  -9.332  10.667  -7.105
   62    H    TYR   9           H        TYR   9  -9.345   8.354  -2.827
   63    HA   TYR   9           HA       TYR   9 -11.299   6.655  -3.993
   64   1HB   TYR   9          1HB       TYR   9  -8.926   6.200  -2.221
   65   2HB   TYR   9          2HB       TYR   9  -9.997   4.879  -2.656
   66    HD1  TYR   9           HD1      TYR   9  -7.643   7.420  -3.981
   67    HD2  TYR   9           HD2      TYR   9  -9.870   3.907  -4.887
   68    HE1  TYR   9           HE1      TYR   9  -6.433   7.212  -6.108
   69    HE2  TYR   9           HE2      TYR   9  -8.660   3.686  -7.023
   70    HH   TYR   9           HH       TYR   9  -7.394   5.124  -8.613
   71    H    LEU  10           H        LEU  10 -10.695   8.223  -1.042
   72    HA   LEU  10           HA       LEU  10 -12.531   6.814   0.606
   73   1HB   LEU  10          1HB       LEU  10 -10.522   8.199   1.300
   74   2HB   LEU  10          2HB       LEU  10 -11.437   9.616   0.866
   75    HG   LEU  10           HG       LEU  10 -12.426   7.753   3.009
   76   1HD1  LEU  10          1HD1      LEU  10 -10.126   8.350   3.557
   77   2HD1  LEU  10          2HD1      LEU  10 -11.263   9.183   4.617
   78   3HD1  LEU  10          3HD1      LEU  10 -10.498  10.052   3.290
   79   1HD2  LEU  10          1HD2      LEU  10 -13.496   9.788   3.834
   80   2HD2  LEU  10          2HD2      LEU  10 -13.965   9.485   2.160
   81   3HD2  LEU  10          3HD2      LEU  10 -12.762  10.720   2.529
   82    H    GLN  11           H        GLN  11 -12.706   9.411  -1.704
   83    HA   GLN  11           HA       GLN  11 -15.270  10.451  -1.069
   84   1HB   GLN  11          1HB       GLN  11 -13.682  10.394  -3.639
   85   2HB   GLN  11          2HB       GLN  11 -15.215  11.233  -3.505
   86   1HG   GLN  11          1HG       GLN  11 -14.223  12.705  -1.815
   87   2HG   GLN  11          2HG       GLN  11 -12.699  11.830  -1.965
   88   1HE2  GLN  11          1HE2      GLN  11 -11.573  13.616  -2.662
   89   2HE2  GLN  11          2HE2      GLN  11 -11.794  14.320  -4.215
   90    H    GLN  12           H        GLN  12 -14.051   7.758  -2.833
   91    HA   GLN  12           HA       GLN  12 -16.658   7.140  -3.894
   92   1HB   GLN  12          1HB       GLN  12 -13.993   5.793  -4.333
   93   2HB   GLN  12          2HB       GLN  12 -15.493   5.324  -5.129
   94   1HG   GLN  12          1HG       GLN  12 -14.158   8.013  -5.368
   95   2HG   GLN  12          2HG       GLN  12 -14.088   6.723  -6.569
   96   1HE2  GLN  12          1HE2      GLN  12 -15.174   9.463  -6.712
   97   2HE2  GLN  12          2HE2      GLN  12 -16.817   9.265  -7.210
   98    H    SER  13           H        SER  13 -14.948   6.579  -1.166
   99    HA   SER  13           HA       SER  13 -15.214   5.376   0.624
  100   1HB   SER  13          1HB       SER  13 -17.849   4.580  -0.630
  101   2HB   SER  13          2HB       SER  13 -17.423   4.303   1.064
  102    HG   SER  13           HG       SER  13 -16.862   6.789   0.613
  103    H    GLY  14           H        GLY  14 -13.697   4.406  -1.369
  104   1HA   GLY  14          1HA       GLY  14 -13.681   1.582  -0.754
  105   2HA   GLY  14          2HA       GLY  14 -13.630   2.069  -2.454
  106    H    GLU  15           H        GLU  15 -12.202   3.245   0.550
  107    HA   GLU  15           HA       GLU  15  -9.699   3.595  -0.839
  108   1HB   GLU  15          1HB       GLU  15  -9.062   5.040   1.003
  109   2HB   GLU  15          2HB       GLU  15 -10.623   5.526   0.369
  110   1HG   GLU  15          1HG       GLU  15 -10.425   3.757   2.788
  111   2HG   GLU  15          2HG       GLU  15 -10.219   5.493   2.923
  112    H    TYR  16           H        TYR  16  -7.732   3.270   0.692
  113    HA   TYR  16           HA       TYR  16  -7.936   1.065   2.602
  114   1HB   TYR  16          1HB       TYR  16  -7.360   0.126   0.311
  115   2HB   TYR  16          2HB       TYR  16  -5.974   1.192   0.270
  116    HD1  TYR  16           HD1      TYR  16  -7.441  -1.565   2.300
  117    HD2  TYR  16           HD2      TYR  16  -3.894   0.341   0.948
  118    HE1  TYR  16           HE1      TYR  16  -6.097  -3.367   3.307
  119    HE2  TYR  16           HE2      TYR  16  -2.538  -1.447   1.961
  120    HH   TYR  16           HH       TYR  16  -3.982  -4.349   3.263
  121    H    GLU  17           H        GLU  17  -7.713   3.927   2.582
  122    HA   GLU  17           HA       GLU  17  -5.124   4.311   3.800
  123   1HB   GLU  17          1HB       GLU  17  -6.256   6.137   1.662
  124   2HB   GLU  17          2HB       GLU  17  -4.829   6.472   2.618
  125   1HG   GLU  17          1HG       GLU  17  -3.962   5.793   0.558
  126   2HG   GLU  17          2HG       GLU  17  -3.848   4.340   1.530
  127    H    ILE  18           H        ILE  18  -5.120   6.413   5.009
  128    HA   ILE  18           HA       ILE  18  -7.796   7.007   5.950
  129    HB   ILE  18           HB       ILE  18  -6.609   5.841   7.727
  130   1HG1  ILE  18          1HG1      ILE  18  -6.825   8.787   8.446
  131   2HG1  ILE  18          2HG1      ILE  18  -8.100   7.585   8.563
  132   1HG2  ILE  18          1HG2      ILE  18  -4.475   7.911   7.476
  133   2HG2  ILE  18          2HG2      ILE  18  -4.374   6.172   7.120
  134   3HG2  ILE  18          3HG2      ILE  18  -4.582   6.727   8.777
  135   1HD1  ILE  18          1HD1      ILE  18  -6.896   6.447  10.338
  136   2HD1  ILE  18          2HD1      ILE  18  -7.148   8.146  10.737
  137   3HD1  ILE  18          3HD1      ILE  18  -5.567   7.596  10.182
  138    H    HIS  19           H        HIS  19  -7.957   9.382   6.899
  139    HA   HIS  19           HA       HIS  19  -6.979  11.289   5.043
  140   1HB   HIS  19          1HB       HIS  19  -8.130  11.842   7.801
  141   2HB   HIS  19          2HB       HIS  19  -7.797  13.059   6.592
  142    HD1  HIS  19           HD1      HIS  19  -9.509  12.996   4.400
  143    HD2  HIS  19           HD2      HIS  19 -10.545  10.740   7.747
  144    HE1  HIS  19           HE1      HIS  19 -11.946  12.563   4.220
  145    H    MET  20           H        MET  20  -4.928  10.543   5.274
  146    HA   MET  20           HA       MET  20  -3.241  12.244   6.969
  147   1HB   MET  20          1HB       MET  20  -3.145   9.311   6.491
  148   2HB   MET  20          2HB       MET  20  -1.605  10.104   6.763
  149   1HG   MET  20          1HG       MET  20  -2.576  10.907   8.935
  150   2HG   MET  20          2HG       MET  20  -3.981   9.888   8.610
  151   1HE   MET  20          1HE       MET  20  -2.321   9.613  11.287
  152   2HE   MET  20          2HE       MET  20  -2.167   7.861  11.410
  153   3HE   MET  20          3HE       MET  20  -3.686   8.578  10.873
  154    H    LYS  21           H        LYS  21  -0.861  10.944   5.460
  155    HA   LYS  21           HA       LYS  21  -1.452  12.209   2.887
  156   1HB   LYS  21          1HB       LYS  21  -0.083  13.583   4.554
  157   2HB   LYS  21          2HB       LYS  21   1.163  12.365   4.417
  158   1HG   LYS  21          1HG       LYS  21   0.153  13.955   2.073
  159   2HG   LYS  21          2HG       LYS  21   1.485  14.484   3.095
  160   1HD   LYS  21          1HD       LYS  21   2.757  12.526   2.496
  161   2HD   LYS  21          2HD       LYS  21   1.394  11.891   1.570
  162   1HE   LYS  21          1HE       LYS  21   1.503  13.815   0.104
  163   2HE   LYS  21          2HE       LYS  21   2.892  14.440   1.001
  164   1HZ   LYS  21          1HZ       LYS  21   4.127  12.504   0.382
  165   2HZ   LYS  21          2HZ       LYS  21   3.542  13.254  -1.015
  166   3HZ   LYS  21          3HZ       LYS  21   2.776  11.849  -0.408
  167    H    ARG  22           H        ARG  22  -1.123  10.804   1.183
  168    HA   ARG  22           HA       ARG  22   0.308   8.299   1.741
  169   1HB   ARG  22          1HB       ARG  22  -1.054   7.299   0.047
  170   2HB   ARG  22          2HB       ARG  22  -2.088   8.517   0.658
  171   1HG   ARG  22          1HG       ARG  22  -1.639  10.014  -1.140
  172   2HG   ARG  22          2HG       ARG  22  -0.335   8.984  -1.728
  173   1HD   ARG  22          1HD       ARG  22  -3.294   8.380  -1.741
  174   2HD   ARG  22          2HD       ARG  22  -2.251   8.679  -3.119
  175    HE   ARG  22           HE       ARG  22  -1.044   6.572  -2.277
  176   1HH1  ARG  22          1HH1      ARG  22  -4.544   7.075  -2.486
  177   2HH1  ARG  22          2HH1      ARG  22  -4.888   5.435  -2.110
  178   1HH2  ARG  22          1HH2      ARG  22  -1.511   4.471  -1.965
  179   2HH2  ARG  22          2HH2      ARG  22  -3.164   3.925  -1.749
  180    H    ALA  23           H        ALA  23   1.662   7.502  -0.111
  181    HA   ALA  23           HA       ALA  23   2.560   9.504  -1.981
  182   1HB   ALA  23          1HB       ALA  23   4.581   8.537   0.024
  183   2HB   ALA  23          2HB       ALA  23   3.887  10.159  -0.014
  184   3HB   ALA  23          3HB       ALA  23   4.916   9.603  -1.338
  185    H    GLY  24           H        GLY  24   1.804   7.925  -3.394
  186   1HA   GLY  24          1HA       GLY  24   3.226   5.385  -3.447
  187   2HA   GLY  24          2HA       GLY  24   1.740   5.755  -4.287
  188    H    PHE  25           H        PHE  25   5.148   6.178  -4.217
  189    HA   PHE  25           HA       PHE  25   5.262   7.344  -6.838
  190   1HB   PHE  25          1HB       PHE  25   7.440   6.119  -5.130
  191   2HB   PHE  25          2HB       PHE  25   7.705   7.051  -6.597
  192    HD1  PHE  25           HD1      PHE  25   7.061   9.453  -6.622
  193    HD2  PHE  25           HD2      PHE  25   7.129   7.171  -3.049
  194    HE1  PHE  25           HE1      PHE  25   7.117  11.526  -5.310
  195    HE2  PHE  25           HE2      PHE  25   7.182   9.249  -1.728
  196    HZ   PHE  25           HZ       PHE  25   7.176  11.420  -2.858
  197    H    ARG  26           H        ARG  26   6.514   4.263  -5.600
  198    HA   ARG  26           HA       ARG  26   6.566   3.305  -8.370
  199   1HB   ARG  26          1HB       ARG  26   7.486   1.967  -5.842
  200   2HB   ARG  26          2HB       ARG  26   7.450   1.155  -7.388
  201   1HG   ARG  26          1HG       ARG  26   9.602   1.791  -7.012
  202   2HG   ARG  26          2HG       ARG  26   9.024   2.934  -8.227
  203   1HD   ARG  26          1HD       ARG  26   8.554   4.465  -6.266
  204   2HD   ARG  26          2HD       ARG  26   9.470   3.313  -5.293
  205    HE   ARG  26           HE       ARG  26  10.807   4.267  -7.674
  206   1HH1  ARG  26          1HH1      ARG  26  10.516   4.729  -4.156
  207   2HH1  ARG  26          2HH1      ARG  26  11.967   5.598  -4.036
  208   1HH2  ARG  26          1HH2      ARG  26  12.777   5.420  -7.470
  209   2HH2  ARG  26          2HH2      ARG  26  13.336   5.980  -5.958
  210    H    GLU  27           H        GLU  27   4.858   2.815  -5.490
  211    HA   GLU  27           HA       GLU  27   3.525   0.456  -6.448
  212   1HB   GLU  27          1HB       GLU  27   4.090   1.000  -4.019
  213   2HB   GLU  27          2HB       GLU  27   2.677   2.045  -4.093
  214   1HG   GLU  27          1HG       GLU  27   1.251   0.187  -4.564
  215   2HG   GLU  27          2HG       GLU  27   2.639  -0.907  -4.617
  216    H    CYS  28           H        CYS  28   3.074   3.778  -7.128
  217    HA   CYS  28           HA       CYS  28   0.373   4.163  -7.220
  218   1HB   CYS  28          1HB       CYS  28   2.084   5.822  -7.910
  219   2HB   CYS  28          2HB       CYS  28   2.372   4.890  -9.374
  220    HG   CYS  28           HG       CYS  28  -0.716   5.321  -9.629
  221    H    ALA  29           H        ALA  29   2.423   2.406  -9.507
  222    HA   ALA  29           HA       ALA  29   0.384   1.742 -11.353
  223   1HB   ALA  29          1HB       ALA  29   2.949   0.259 -10.827
  224   2HB   ALA  29          2HB       ALA  29   2.760   1.619 -11.939
  225   3HB   ALA  29          3HB       ALA  29   1.926   0.100 -12.253
  226    H    ALA  30           H        ALA  30   1.635   0.063  -8.572
  227    HA   ALA  30           HA       ALA  30   0.224  -2.317  -8.824
  228   1HB   ALA  30          1HB       ALA  30   0.664  -2.632  -6.489
  229   2HB   ALA  30          2HB       ALA  30   1.042  -0.919  -6.316
  230   3HB   ALA  30          3HB       ALA  30   2.082  -1.951  -7.291
  231    H    MET  31           H        MET  31  -0.599   0.692  -7.141
  232    HA   MET  31           HA       MET  31  -2.864  -0.297  -5.831
  233   1HB   MET  31          1HB       MET  31  -3.564   1.874  -5.309
  234   2HB   MET  31          2HB       MET  31  -1.814   1.918  -5.316
  235   1HG   MET  31          1HG       MET  31  -1.784   3.056  -7.414
  236   2HG   MET  31          2HG       MET  31  -3.516   2.844  -7.619
  237   1HE   MET  31          1HE       MET  31  -4.438   3.443  -4.482
  238   2HE   MET  31          2HE       MET  31  -5.308   3.926  -5.936
  239   3HE   MET  31          3HE       MET  31  -4.903   5.127  -4.714
  240    H    ILE  32           H        ILE  32  -2.574   0.911  -9.061
  241    HA   ILE  32           HA       ILE  32  -5.281   1.236  -9.694
  242    HB   ILE  32           HB       ILE  32  -2.936   0.420 -11.433
  243   1HG1  ILE  32          1HG1      ILE  32  -2.578   2.579 -10.373
  244   2HG1  ILE  32          2HG1      ILE  32  -2.857   2.792 -12.097
  245   1HG2  ILE  32          1HG2      ILE  32  -5.005  -0.165 -12.555
  246   2HG2  ILE  32          2HG2      ILE  32  -4.251   1.214 -13.354
  247   3HG2  ILE  32          3HG2      ILE  32  -5.635   1.460 -12.289
  248   1HD1  ILE  32          1HD1      ILE  32  -4.850   3.290  -9.890
  249   2HD1  ILE  32          2HD1      ILE  32  -5.166   3.459 -11.616
  250   3HD1  ILE  32          3HD1      ILE  32  -3.991   4.509 -10.833
  251    H    GLU  33           H        GLU  33  -3.153  -1.547  -9.932
  252    HA   GLU  33           HA       GLU  33  -5.296  -3.169 -10.926
  253   1HB   GLU  33          1HB       GLU  33  -2.443  -3.871 -10.235
  254   2HB   GLU  33          2HB       GLU  33  -3.585  -4.965 -11.011
  255   1HG   GLU  33          1HG       GLU  33  -3.803  -3.367 -12.879
  256   2HG   GLU  33          2HG       GLU  33  -2.597  -2.350 -12.112
  257    H    LYS  34           H        LYS  34  -3.759  -2.538  -7.880
  258    HA   LYS  34           HA       LYS  34  -4.532  -4.734  -6.335
  259   1HB   LYS  34          1HB       LYS  34  -4.016  -1.848  -5.736
  260   2HB   LYS  34          2HB       LYS  34  -4.630  -2.887  -4.469
  261   1HG   LYS  34          1HG       LYS  34  -2.682  -4.154  -4.368
  262   2HG   LYS  34          2HG       LYS  34  -2.168  -3.693  -5.985
  263   1HD   LYS  34          1HD       LYS  34  -0.872  -2.711  -4.041
  264   2HD   LYS  34          2HD       LYS  34  -1.407  -1.565  -5.251
  265   1HE   LYS  34          1HE       LYS  34  -3.325  -0.986  -3.772
  266   2HE   LYS  34          2HE       LYS  34  -2.715  -2.091  -2.550
  267   1HZ   LYS  34          1HZ       LYS  34  -0.635  -0.628  -2.476
  268   2HZ   LYS  34          2HZ       LYS  34  -2.028   0.163  -2.009
  269   3HZ   LYS  34          3HZ       LYS  34  -1.406   0.411  -3.535
  270    H    LYS  35           H        LYS  35  -6.352  -2.108  -7.598
  271    HA   LYS  35           HA       LYS  35  -8.558  -2.078  -5.883
  272   1HB   LYS  35          1HB       LYS  35  -7.925  -0.255  -7.417
  273   2HB   LYS  35          2HB       LYS  35  -8.288  -1.260  -8.797
  274   1HG   LYS  35          1HG       LYS  35 -10.400  -0.439  -6.800
  275   2HG   LYS  35          2HG       LYS  35  -9.950   0.582  -8.159
  276   1HD   LYS  35          1HD       LYS  35 -10.596  -1.217  -9.710
  277   2HD   LYS  35          2HD       LYS  35 -11.029  -2.237  -8.338
  278   1HE   LYS  35          1HE       LYS  35 -12.317   0.388  -9.094
  279   2HE   LYS  35          2HE       LYS  35 -13.007  -1.218  -9.320
  280   1HZ   LYS  35          1HZ       LYS  35 -13.906  -0.154  -7.353
  281   2HZ   LYS  35          2HZ       LYS  35 -12.377   0.070  -6.732
  282   3HZ   LYS  35          3HZ       LYS  35 -12.990  -1.478  -6.868
  283    H    ALA  36           H        ALA  36  -7.643  -4.361  -8.304
  284    HA   ALA  36           HA       ALA  36 -10.263  -5.275  -8.983
  285   1HB   ALA  36          1HB       ALA  36  -7.610  -6.686  -9.284
  286   2HB   ALA  36          2HB       ALA  36  -8.348  -5.617 -10.477
  287   3HB   ALA  36          3HB       ALA  36  -9.123  -7.144 -10.064
  288    H    ARG  37           H        ARG  37  -7.859  -6.195  -6.611
  289    HA   ARG  37           HA       ARG  37  -9.664  -7.417  -4.854
  290   1HB   ARG  37          1HB       ARG  37  -9.676  -9.217  -6.598
  291   2HB   ARG  37          2HB       ARG  37  -7.938  -9.370  -6.372
  292   1HG   ARG  37          1HG       ARG  37  -8.294 -10.063  -4.045
  293   2HG   ARG  37          2HG       ARG  37 -10.038  -9.948  -4.288
  294   1HD   ARG  37          1HD       ARG  37  -8.159 -11.790  -5.777
  295   2HD   ARG  37          2HD       ARG  37  -9.253 -12.264  -4.484
  296    HE   ARG  37           HE       ARG  37 -10.836 -11.057  -6.350
  297   1HH1  ARG  37          1HH1      ARG  37  -8.658 -13.858  -6.391
  298   2HH1  ARG  37          2HH1      ARG  37  -9.545 -14.681  -7.590
  299   1HH2  ARG  37          1HH2      ARG  37 -12.025 -12.228  -8.001
  300   2HH2  ARG  37          2HH2      ARG  37 -11.457 -13.750  -8.504
  301    H    ARG  38           H        ARG  38  -6.457  -8.273  -6.026
  302    HA   ARG  38           HA       ARG  38  -5.024  -6.860  -4.144
  303   1HB   ARG  38          1HB       ARG  38  -4.061  -8.778  -2.884
  304   2HB   ARG  38          2HB       ARG  38  -5.799  -8.658  -2.636
  305   1HG   ARG  38          1HG       ARG  38  -6.117 -10.452  -4.294
  306   2HG   ARG  38          2HG       ARG  38  -4.363 -10.615  -4.396
  307   1HD   ARG  38          1HD       ARG  38  -5.240 -12.275  -2.903
  308   2HD   ARG  38          2HD       ARG  38  -4.313 -11.099  -1.971
  309    HE   ARG  38           HE       ARG  38  -6.750 -10.110  -1.686
  310   1HH1  ARG  38          1HH1      ARG  38  -5.804 -13.536  -1.578
  311   2HH1  ARG  38          2HH1      ARG  38  -6.950 -13.921  -0.378
  312   1HH2  ARG  38          1HH2      ARG  38  -8.335 -10.688  -0.080
  313   2HH2  ARG  38          2HH2      ARG  38  -8.407 -12.301   0.486
  314    H    VAL  39           H        VAL  39  -2.986  -6.638  -5.078
  315    HA   VAL  39           HA       VAL  39  -2.250  -8.520  -7.180
  316    HB   VAL  39           HB       VAL  39  -2.624  -5.536  -7.518
  317   1HG1  VAL  39          1HG1      VAL  39  -1.138  -7.375  -9.412
  318   2HG1  VAL  39          2HG1      VAL  39  -0.384  -6.113  -8.440
  319   3HG1  VAL  39          3HG1      VAL  39  -1.519  -5.682  -9.720
  320   1HG2  VAL  39          1HG2      VAL  39  -3.904  -6.216  -9.487
  321   2HG2  VAL  39          2HG2      VAL  39  -4.516  -6.975  -8.016
  322   3HG2  VAL  39          3HG2      VAL  39  -3.523  -7.901  -9.141
  323    H    VAL  40           H        VAL  40  -0.077  -8.684  -7.540
  324    HA   VAL  40           HA       VAL  40   1.514  -7.522  -5.446
  325    HB   VAL  40           HB       VAL  40   1.642  -9.975  -5.516
  326   1HG1  VAL  40          1HG1      VAL  40   2.658 -11.172  -7.414
  327   2HG1  VAL  40          2HG1      VAL  40   2.573  -9.681  -8.358
  328   3HG1  VAL  40          3HG1      VAL  40   1.096 -10.448  -7.771
  329   1HG2  VAL  40          1HG2      VAL  40   4.230  -8.757  -6.488
  330   2HG2  VAL  40          2HG2      VAL  40   4.077 -10.326  -5.696
  331   3HG2  VAL  40          3HG2      VAL  40   3.686  -8.849  -4.815
  332    H    HIS  41           H        HIS  41   3.357  -6.318  -5.855
  333    HA   HIS  41           HA       HIS  41   3.887  -5.765  -8.654
  334   1HB   HIS  41          1HB       HIS  41   2.324  -4.069  -7.608
  335   2HB   HIS  41          2HB       HIS  41   3.644  -3.621  -6.540
  336    HD1  HIS  41           HD1      HIS  41   5.419  -1.928  -7.541
  337    HD2  HIS  41           HD2      HIS  41   2.582  -3.241 -10.306
  338    HE1  HIS  41           HE1      HIS  41   5.685  -0.512  -9.580
  339    H    ILE  42           H        ILE  42   6.029  -6.005  -8.914
  340    HA   ILE  42           HA       ILE  42   7.767  -6.119  -6.624
  341    HB   ILE  42           HB       ILE  42   8.134  -7.708  -8.496
  342   1HG1  ILE  42          1HG1      ILE  42  10.416  -5.734  -8.228
  343   2HG1  ILE  42          2HG1      ILE  42  10.081  -7.063  -7.130
  344   1HG2  ILE  42          1HG2      ILE  42   7.358  -6.363 -10.346
  345   2HG2  ILE  42          2HG2      ILE  42   8.986  -6.968 -10.654
  346   3HG2  ILE  42          3HG2      ILE  42   8.749  -5.288 -10.172
  347   1HD1  ILE  42          1HD1      ILE  42  10.878  -7.306 -10.027
  348   2HD1  ILE  42          2HD1      ILE  42  10.541  -8.652  -8.942
  349   3HD1  ILE  42          3HD1      ILE  42  11.917  -7.593  -8.633
  350    H    LYS  43           H        LYS  43   9.212  -4.612  -6.005
  351    HA   LYS  43           HA       LYS  43  10.116  -2.623  -5.692
  352   1HB   LYS  43          1HB       LYS  43   9.744  -2.227  -8.677
  353   2HB   LYS  43          2HB       LYS  43  10.564  -1.069  -7.641
  354   1HG   LYS  43          1HG       LYS  43  12.239  -2.735  -7.087
  355   2HG   LYS  43          2HG       LYS  43  11.399  -3.923  -8.075
  356   1HD   LYS  43          1HD       LYS  43  11.812  -2.567 -10.064
  357   2HD   LYS  43          2HD       LYS  43  12.628  -1.354  -9.072
  358   1HE   LYS  43          1HE       LYS  43  14.306  -2.988  -8.419
  359   2HE   LYS  43          2HE       LYS  43  13.480  -4.234  -9.342
  360   1HZ   LYS  43          1HZ       LYS  43  13.960  -3.029 -11.363
  361   2HZ   LYS  43          2HZ       LYS  43  15.386  -3.312 -10.516
  362   3HZ   LYS  43          3HZ       LYS  43  14.700  -1.784 -10.505
  363    HA   PRO  44           HA       PRO  44   6.211  -0.394  -5.525
  364   1HB   PRO  44          1HB       PRO  44   5.260  -1.222  -3.118
  365   2HB   PRO  44          2HB       PRO  44   4.906  -2.061  -4.631
  366   1HG   PRO  44          1HG       PRO  44   6.632  -2.902  -2.422
  367   2HG   PRO  44          2HG       PRO  44   5.986  -3.855  -3.775
  368   1HD   PRO  44          1HD       PRO  44   8.605  -2.711  -3.434
  369   2HD   PRO  44          2HD       PRO  44   7.988  -3.809  -4.687
  370    H    GLY  45           H        GLY  45   5.844   1.485  -4.322
  371   1HA   GLY  45          1HA       GLY  45   7.571   2.098  -2.109
  372   2HA   GLY  45          2HA       GLY  45   7.943   2.961  -3.602
  373    H    GLU  46           H        GLU  46   5.141   2.072  -1.721
  374    HA   GLU  46           HA       GLU  46   4.157   4.798  -1.944
  375   1HB   GLU  46          1HB       GLU  46   2.605   3.554  -3.011
  376   2HB   GLU  46          2HB       GLU  46   2.843   2.126  -2.030
  377   1HG   GLU  46          1HG       GLU  46   0.658   2.924  -1.602
  378   2HG   GLU  46          2HG       GLU  46   1.623   3.397  -0.211
  379    H    LYS  47           H        LYS  47   4.083   5.881  -0.252
  380    HA   LYS  47           HA       LYS  47   4.484   4.559   2.315
  381   1HB   LYS  47          1HB       LYS  47   5.087   7.359   1.491
  382   2HB   LYS  47          2HB       LYS  47   5.372   6.667   3.077
  383   1HG   LYS  47          1HG       LYS  47   6.995   5.224   2.312
  384   2HG   LYS  47          2HG       LYS  47   6.599   5.518   0.607
  385   1HD   LYS  47          1HD       LYS  47   7.625   7.466   2.562
  386   2HD   LYS  47          2HD       LYS  47   8.621   6.579   1.371
  387   1HE   LYS  47          1HE       LYS  47   7.215   7.646  -0.421
  388   2HE   LYS  47          2HE       LYS  47   6.398   8.570   0.831
  389   1HZ   LYS  47          1HZ       LYS  47   9.270   8.844   0.077
  390   2HZ   LYS  47          2HZ       LYS  47   8.549   9.510   1.443
  391   3HZ   LYS  47          3HZ       LYS  47   8.074  10.048  -0.025
  392    H    ILE  48           H        ILE  48   2.533   4.225   2.039
  393    HA   ILE  48           HA       ILE  48   0.495   6.208   2.075
  394    HB   ILE  48           HB       ILE  48  -0.983   4.316   2.997
  395   1HG1  ILE  48          1HG1      ILE  48   1.194   2.671   1.691
  396   2HG1  ILE  48          2HG1      ILE  48   0.700   2.621   3.373
  397   1HG2  ILE  48          1HG2      ILE  48  -1.590   5.367   1.104
  398   2HG2  ILE  48          2HG2      ILE  48  -1.650   3.636   0.770
  399   3HG2  ILE  48          3HG2      ILE  48  -0.309   4.607   0.163
  400   1HD1  ILE  48          1HD1      ILE  48  -0.141   0.704   2.135
  401   2HD1  ILE  48          2HD1      ILE  48  -0.985   1.781   1.022
  402   3HD1  ILE  48          3HD1      ILE  48  -1.467   1.711   2.718
  403    H    LEU  49           H        LEU  49   0.817   7.501   3.770
  404    HA   LEU  49           HA       LEU  49   0.379   8.418   5.782
  405   1HB   LEU  49          1HB       LEU  49  -0.877   5.883   6.789
  406   2HB   LEU  49          2HB       LEU  49  -1.215   7.521   7.261
  407    HG   LEU  49           HG       LEU  49  -3.085   7.202   6.126
  408   1HD1  LEU  49          1HD1      LEU  49  -3.193   7.750   3.843
  409   2HD1  LEU  49          2HD1      LEU  49  -1.433   7.656   3.722
  410   3HD1  LEU  49          3HD1      LEU  49  -2.183   8.870   4.760
  411   1HD2  LEU  49          1HD2      LEU  49  -1.763   5.025   4.566
  412   2HD2  LEU  49          2HD2      LEU  49  -3.435   5.521   4.322
  413   3HD2  LEU  49          3HD2      LEU  49  -2.927   4.860   5.880
  414    H    GLY  50           H        GLY  50   2.243   5.751   5.486
  415   1HA   GLY  50          1HA       GLY  50   4.223   5.288   6.715
  416   2HA   GLY  50          2HA       GLY  50   3.557   6.204   8.067
  417    H    ALA  51           H        ALA  51   0.984   4.403   7.146
  418    HA   ALA  51           HA       ALA  51   1.633   1.843   8.170
  419   1HB   ALA  51          1HB       ALA  51  -0.092   3.709   9.824
  420   2HB   ALA  51          2HB       ALA  51   1.482   3.072  10.297
  421   3HB   ALA  51          3HB       ALA  51   0.109   1.979  10.114
  422    H    ARG  52           H        ARG  52  -0.240   0.463   7.886
  423    HA   ARG  52           HA       ARG  52  -1.888   1.493   5.727
  424   1HB   ARG  52          1HB       ARG  52  -1.749  -1.313   6.807
  425   2HB   ARG  52          2HB       ARG  52  -2.541  -0.801   5.327
  426   1HG   ARG  52          1HG       ARG  52  -0.362  -0.178   4.389
  427   2HG   ARG  52          2HG       ARG  52   0.420  -0.721   5.875
  428   1HD   ARG  52          1HD       ARG  52  -1.151  -2.401   3.922
  429   2HD   ARG  52          2HD       ARG  52   0.585  -2.471   4.227
  430    HE   ARG  52           HE       ARG  52  -1.266  -3.002   6.407
  431   1HH1  ARG  52          1HH1      ARG  52   1.240  -4.286   4.181
  432   2HH1  ARG  52          2HH1      ARG  52   1.344  -5.783   4.996
  433   1HH2  ARG  52          1HH2      ARG  52  -1.099  -5.197   7.407
  434   2HH2  ARG  52          2HH2      ARG  52   0.033  -6.307   6.785
  435    H    ILE  53           H        ILE  53  -3.536   2.660   6.548
  436    HA   ILE  53           HA       ILE  53  -5.328   1.263   8.385
  437    HB   ILE  53           HB       ILE  53  -5.020   4.259   7.950
  438   1HG1  ILE  53          1HG1      ILE  53  -4.712   4.258  10.531
  439   2HG1  ILE  53          2HG1      ILE  53  -4.395   2.541  10.350
  440   1HG2  ILE  53          1HG2      ILE  53  -7.378   3.702   8.208
  441   2HG2  ILE  53          2HG2      ILE  53  -6.818   4.538   9.660
  442   3HG2  ILE  53          3HG2      ILE  53  -7.026   2.789   9.675
  443   1HD1  ILE  53          1HD1      ILE  53  -2.838   4.778   9.079
  444   2HD1  ILE  53          2HD1      ILE  53  -2.506   3.055   8.894
  445   3HD1  ILE  53          3HD1      ILE  53  -2.348   3.820  10.475
  446    H    ILE  54           H        ILE  54  -7.078   0.585   7.359
  447    HA   ILE  54           HA       ILE  54  -7.382   1.193   4.601
  448    HB   ILE  54           HB       ILE  54  -9.163  -0.448   6.432
  449   1HG1  ILE  54          1HG1      ILE  54  -8.098  -2.416   5.131
  450   2HG1  ILE  54          2HG1      ILE  54  -6.860  -1.273   4.657
  451   1HG2  ILE  54          1HG2      ILE  54 -10.115  -1.398   4.469
  452   2HG2  ILE  54          2HG2      ILE  54  -9.052  -0.453   3.434
  453   3HG2  ILE  54          3HG2      ILE  54 -10.283   0.358   4.407
  454   1HD1  ILE  54          1HD1      ILE  54  -7.502  -2.087   7.487
  455   2HD1  ILE  54          2HD1      ILE  54  -6.219  -0.979   6.993
  456   3HD1  ILE  54          3HD1      ILE  54  -6.152  -2.674   6.517
  457    H    GLY  55           H        GLY  55  -9.108   1.831   7.551
  458   1HA   GLY  55          1HA       GLY  55 -10.509   3.693   8.020
  459   2HA   GLY  55          2HA       GLY  55 -10.526   4.047   6.294
  460    H    ILE  56           H        ILE  56 -11.013   1.001   6.169
  461    HA   ILE  56           HA       ILE  56 -13.925   0.973   6.572
  462    HB   ILE  56           HB       ILE  56 -12.274  -0.426   4.406
  463   1HG1  ILE  56          1HG1      ILE  56 -14.243   1.847   4.121
  464   2HG1  ILE  56          2HG1      ILE  56 -12.494   2.001   3.999
  465   1HG2  ILE  56          1HG2      ILE  56 -14.410  -1.125   3.461
  466   2HG2  ILE  56          2HG2      ILE  56 -15.252  -0.375   4.813
  467   3HG2  ILE  56          3HG2      ILE  56 -14.188  -1.753   5.096
  468   1HD1  ILE  56          1HD1      ILE  56 -12.514   0.523   2.045
  469   2HD1  ILE  56          2HD1      ILE  56 -13.526   1.950   1.803
  470   3HD1  ILE  56          3HD1      ILE  56 -14.267   0.394   2.186
  471    HA   PRO  57           HA       PRO  57 -12.428  -2.542   9.054
  472   1HB   PRO  57          1HB       PRO  57 -15.241  -3.420   9.157
  473   2HB   PRO  57          2HB       PRO  57 -14.188  -2.945  10.490
  474   1HG   PRO  57          1HG       PRO  57 -16.251  -1.405   9.694
  475   2HG   PRO  57          2HG       PRO  57 -14.742  -0.711  10.310
  476   1HD   PRO  57          1HD       PRO  57 -15.678  -0.996   7.478
  477   2HD   PRO  57          2HD       PRO  57 -14.851   0.367   8.270
  478    HA   PRO  58           HA       PRO  58 -12.978  -5.372   5.490
  479   1HB   PRO  58          1HB       PRO  58 -10.442  -5.836   5.032
  480   2HB   PRO  58          2HB       PRO  58 -11.079  -4.212   4.748
  481   1HG   PRO  58          1HG       PRO  58  -9.311  -5.179   6.931
  482   2HG   PRO  58          2HG       PRO  58  -9.442  -3.561   6.225
  483   1HD   PRO  58          1HD       PRO  58 -10.710  -4.574   8.611
  484   2HD   PRO  58          2HD       PRO  58 -10.804  -2.938   7.917
  485    H    VAL  59           H        VAL  59 -11.525  -7.457   5.123
  486    HA   VAL  59           HA       VAL  59 -12.106  -9.233   7.274
  487    HB   VAL  59           HB       VAL  59 -10.452  -9.676   4.772
  488   1HG1  VAL  59          1HG1      VAL  59 -10.085 -11.422   6.441
  489   2HG1  VAL  59          2HG1      VAL  59 -10.995 -12.074   5.079
  490   3HG1  VAL  59          3HG1      VAL  59 -11.823 -11.676   6.584
  491   1HG2  VAL  59          1HG2      VAL  59 -13.393 -10.171   5.205
  492   2HG2  VAL  59          2HG2      VAL  59 -12.481 -10.637   3.768
  493   3HG2  VAL  59          3HG2      VAL  59 -12.676  -8.932   4.176
  494    HA   PRO  60           HA       PRO  60  -8.216  -7.955   9.079
  495   1HB   PRO  60          1HB       PRO  60  -8.539  -8.989  11.498
  496   2HB   PRO  60          2HB       PRO  60  -9.564  -7.665  10.934
  497   1HG   PRO  60          1HG       PRO  60 -10.168 -10.589  11.104
  498   2HG   PRO  60          2HG       PRO  60 -11.204  -9.211  11.510
  499   1HD   PRO  60          1HD       PRO  60 -11.306 -10.617   9.124
  500   2HD   PRO  60          2HD       PRO  60 -11.897  -8.958   9.355
  501    H    ILE  61           H        ILE  61  -7.873 -10.235   7.334
  502    HA   ILE  61           HA       ILE  61  -6.225 -11.965   9.062
  503    HB   ILE  61           HB       ILE  61  -7.516 -12.716   6.394
  504   1HG1  ILE  61          1HG1      ILE  61  -8.345 -13.520   9.192
  505   2HG1  ILE  61          2HG1      ILE  61  -9.209 -12.384   8.168
  506   1HG2  ILE  61          1HG2      ILE  61  -6.178 -14.482   8.464
  507   2HG2  ILE  61          2HG2      ILE  61  -5.453 -13.997   6.938
  508   3HG2  ILE  61          3HG2      ILE  61  -6.886 -15.027   6.942
  509   1HD1  ILE  61          1HD1      ILE  61  -8.783 -15.310   7.588
  510   2HD1  ILE  61          2HD1      ILE  61  -9.693 -14.176   6.584
  511   3HD1  ILE  61          3HD1      ILE  61 -10.264 -14.583   8.205
  512    H    GLY  62           H        GLY  62  -4.177 -12.775   7.841
  513   1HA   GLY  62          1HA       GLY  62  -3.383 -11.844   5.394
  514   2HA   GLY  62          2HA       GLY  62  -2.996 -10.557   6.514
  515    H    ILE  63           H        ILE  63  -1.190 -12.080   4.886
  516    HA   ILE  63           HA       ILE  63   0.409 -13.073   7.062
  517    HB   ILE  63           HB       ILE  63   1.550 -14.645   5.501
  518   1HG1  ILE  63          1HG1      ILE  63  -0.850 -14.185   3.708
  519   2HG1  ILE  63          2HG1      ILE  63   0.806 -13.713   3.350
  520   1HG2  ILE  63          1HG2      ILE  63  -1.354 -15.176   6.070
  521   2HG2  ILE  63          2HG2      ILE  63   0.014 -15.471   7.138
  522   3HG2  ILE  63          3HG2      ILE  63  -0.166 -16.414   5.660
  523   1HD1  ILE  63          1HD1      ILE  63  -0.199 -16.533   3.675
  524   2HD1  ILE  63          2HD1      ILE  63   1.463 -16.067   3.313
  525   3HD1  ILE  63          3HD1      ILE  63   0.179 -15.730   2.152
  526    H    ASP  64           H        ASP  64   1.354 -11.139   7.321
  527    HA   ASP  64           HA       ASP  64   2.860  -9.943   5.151
  528   1HB   ASP  64          1HB       ASP  64   2.645  -9.235   8.102
  529   2HB   ASP  64          2HB       ASP  64   3.801  -8.455   7.044
  530    H    GLU  65           H        GLU  65   4.402 -11.374   4.523
  531    HA   GLU  65           HA       GLU  65   5.836 -12.855   6.492
  532   1HB   GLU  65          1HB       GLU  65   6.281 -12.606   3.521
  533   2HB   GLU  65          2HB       GLU  65   7.091 -13.757   4.576
  534   1HG   GLU  65          1HG       GLU  65   4.124 -13.640   4.065
  535   2HG   GLU  65          2HG       GLU  65   5.252 -14.792   3.349
  536    H    GLU  66           H        GLU  66   6.772 -10.385   4.139
  537    HA   GLU  66           HA       GLU  66   8.518  -9.095   5.911
  538   1HB   GLU  66          1HB       GLU  66   9.658 -11.380   5.085
  539   2HB   GLU  66          2HB       GLU  66   9.922 -10.465   3.614
  540   1HG   GLU  66          1HG       GLU  66  10.812  -9.217   6.131
  541   2HG   GLU  66          2HG       GLU  66  11.706 -10.633   5.586
  542    H    ARG  67           H        ARG  67   9.719  -7.399   4.353
  543    HA   ARG  67           HA       ARG  67   7.552  -6.426   2.648
  544   1HB   ARG  67          1HB       ARG  67   9.023  -5.120   4.450
  545   2HB   ARG  67          2HB       ARG  67  10.056  -4.852   3.052
  546   1HG   ARG  67          1HG       ARG  67   7.137  -4.096   3.234
  547   2HG   ARG  67          2HG       ARG  67   8.491  -2.999   3.490
  548   1HD   ARG  67          1HD       ARG  67   9.120  -3.117   1.204
  549   2HD   ARG  67          2HD       ARG  67   8.054  -4.490   0.908
  550    HE   ARG  67           HE       ARG  67   6.269  -2.746   1.670
  551   1HH1  ARG  67          1HH1      ARG  67   8.993  -1.988  -0.437
  552   2HH1  ARG  67          2HH1      ARG  67   8.146  -0.902  -1.443
  553   1HH2  ARG  67          1HH2      ARG  67   5.045  -1.301   0.338
  554   2HH2  ARG  67          2HH2      ARG  67   5.716  -0.512  -0.976
  555    H    SER  68           H        SER  68  10.806  -7.500   2.618
  556    HA   SER  68           HA       SER  68  11.056  -7.131  -0.217
  557   1HB   SER  68          1HB       SER  68  12.924  -8.295   1.838
  558   2HB   SER  68          2HB       SER  68  13.352  -7.738   0.204
  559    HG   SER  68           HG       SER  68  13.336  -5.786   0.858
  560    H    THR  69           H        THR  69   9.075  -8.791   0.723
  561    HA   THR  69           HA       THR  69   9.536 -11.217  -0.715
  562    HB   THR  69           HB       THR  69   8.681 -11.270   2.220
  563    HG1  THR  69           HG1      THR  69  11.085 -11.171   1.278
  564   1HG2  THR  69          1HG2      THR  69   9.153 -13.580   0.308
  565   2HG2  THR  69          2HG2      THR  69   7.582 -13.026   0.885
  566   3HG2  THR  69          3HG2      THR  69   8.736 -13.724   2.018
  567    H    VAL  70           H        VAL  70   7.214 -12.285  -0.809
  568    HA   VAL  70           HA       VAL  70   5.457 -10.100  -1.342
  569    HB   VAL  70           HB       VAL  70   3.897 -11.801  -2.272
  570   1HG1  VAL  70          1HG1      VAL  70   5.428 -10.749  -3.759
  571   2HG1  VAL  70          2HG1      VAL  70   5.272 -12.446  -4.210
  572   3HG1  VAL  70          3HG1      VAL  70   6.697 -11.893  -3.334
  573   1HG2  VAL  70          1HG2      VAL  70   6.085 -13.790  -1.620
  574   2HG2  VAL  70          2HG2      VAL  70   4.674 -14.125  -2.621
  575   3HG2  VAL  70          3HG2      VAL  70   4.472 -13.747  -0.911
  576    H    MET  71           H        MET  71   4.519  -9.212   0.248
  577    HA   MET  71           HA       MET  71   3.510 -10.812   2.442
  578   1HB   MET  71          1HB       MET  71   2.813  -8.682   3.473
  579   2HB   MET  71          2HB       MET  71   4.500  -8.618   2.988
  580   1HG   MET  71          1HG       MET  71   3.905  -7.272   1.047
  581   2HG   MET  71          2HG       MET  71   2.199  -7.399   1.465
  582   1HE   MET  71          1HE       MET  71   5.325  -5.205   4.044
  583   2HE   MET  71          2HE       MET  71   5.673  -6.062   2.542
  584   3HE   MET  71          3HE       MET  71   5.176  -6.962   3.977
  585    H    ILE  72           H        ILE  72   1.506 -11.598   2.481
  586    HA   ILE  72           HA       ILE  72  -0.319 -10.456   0.504
  587    HB   ILE  72           HB       ILE  72  -0.248 -13.388   1.314
  588   1HG1  ILE  72          1HG1      ILE  72   0.610 -12.097  -1.292
  589   2HG1  ILE  72          2HG1      ILE  72   1.712 -12.736  -0.080
  590   1HG2  ILE  72          1HG2      ILE  72  -1.852 -11.939  -0.809
  591   2HG2  ILE  72          2HG2      ILE  72  -2.484 -12.585   0.705
  592   3HG2  ILE  72          3HG2      ILE  72  -1.862 -13.681  -0.529
  593   1HD1  ILE  72          1HD1      ILE  72   0.789 -14.975  -0.461
  594   2HD1  ILE  72          2HD1      ILE  72   1.457 -14.275  -1.934
  595   3HD1  ILE  72          3HD1      ILE  72  -0.290 -14.314  -1.687
  596    HA   PRO  73           HA       PRO  73  -2.377 -10.145   4.506
  597   1HB   PRO  73          1HB       PRO  73  -3.456  -7.624   3.502
  598   2HB   PRO  73          2HB       PRO  73  -2.418  -7.878   4.905
  599   1HG   PRO  73          1HG       PRO  73  -1.572  -6.603   2.648
  600   2HG   PRO  73          2HG       PRO  73  -0.488  -7.519   3.710
  601   1HD   PRO  73          1HD       PRO  73  -1.735  -8.343   1.113
  602   2HD   PRO  73          2HD       PRO  73  -0.088  -8.634   1.720
  603    H    TYR  74           H        TYR  74  -4.596 -10.434   4.842
  604    HA   TYR  74           HA       TYR  74  -6.084 -10.886   2.389
  605   1HB   TYR  74          1HB       TYR  74  -6.183 -12.340   5.030
  606   2HB   TYR  74          2HB       TYR  74  -7.297 -12.639   3.686
  607    HD1  TYR  74           HD1      TYR  74  -6.051 -13.186   1.404
  608    HD2  TYR  74           HD2      TYR  74  -4.360 -13.722   5.258
  609    HE1  TYR  74           HE1      TYR  74  -4.480 -14.825   0.479
  610    HE2  TYR  74           HE2      TYR  74  -2.786 -15.356   4.346
  611    HH   TYR  74           HH       TYR  74  -2.684 -16.851   2.464
  612    H    THR  75           H        THR  75  -5.854  -8.458   3.539
  613    HA   THR  75           HA       THR  75  -8.316  -8.080   4.973
  614    HB   THR  75           HB       THR  75  -7.664  -5.765   5.062
  615    HG1  THR  75           HG1      THR  75  -6.289  -5.884   3.165
  616   1HG2  THR  75          1HG2      THR  75  -5.740  -6.008   6.655
  617   2HG2  THR  75          2HG2      THR  75  -5.557  -7.672   6.093
  618   3HG2  THR  75          3HG2      THR  75  -7.034  -7.178   6.921
  619    H    LYS  76           H        LYS  76  -9.925  -8.147   3.639
  620    HA   LYS  76           HA       LYS  76  -9.632  -7.014   0.968
  621   1HB   LYS  76          1HB       LYS  76 -10.328  -9.362   1.009
  622   2HB   LYS  76          2HB       LYS  76 -11.706  -8.950   2.016
  623   1HG   LYS  76          1HG       LYS  76 -12.619  -7.577   0.210
  624   2HG   LYS  76          2HG       LYS  76 -11.242  -8.004  -0.806
  625   1HD   LYS  76          1HD       LYS  76 -11.894 -10.330  -0.779
  626   2HD   LYS  76          2HD       LYS  76 -13.202  -9.985   0.355
  627   1HE   LYS  76          1HE       LYS  76 -14.239  -8.520  -1.325
  628   2HE   LYS  76          2HE       LYS  76 -12.947  -8.920  -2.456
  629   1HZ   LYS  76          1HZ       LYS  76 -14.894 -10.833  -1.294
  630   2HZ   LYS  76          2HZ       LYS  76 -13.710 -11.214  -2.433
  631   3HZ   LYS  76          3HZ       LYS  76 -14.968 -10.183  -2.836
  632    HA   PRO  77           HA       PRO  77 -12.568  -3.950   2.572
  633   1HB   PRO  77          1HB       PRO  77 -11.164  -1.835   1.720
  634   2HB   PRO  77          2HB       PRO  77 -10.717  -2.715   3.186
  635   1HG   PRO  77          1HG       PRO  77  -9.273  -2.549   0.664
  636   2HG   PRO  77          2HG       PRO  77  -8.743  -3.217   2.217
  637   1HD   PRO  77          1HD       PRO  77  -9.859  -4.603  -0.125
  638   2HD   PRO  77          2HD       PRO  77  -8.915  -5.237   1.245
  639    H    CYS  78           H        CYS  78 -12.878  -1.739   1.131
  640    HA   CYS  78           HA       CYS  78 -14.170  -2.821  -1.238
  641   1HB   CYS  78          1HB       CYS  78 -14.303  -0.240   0.230
  642   2HB   CYS  78          2HB       CYS  78 -15.324  -0.627  -1.187
  643    HG   CYS  78           HG       CYS  78 -16.387  -0.844   1.634
  644    H    TYR  79           H        TYR  79 -11.340  -2.388  -1.018
  645    HA   TYR  79           HA       TYR  79 -10.818  -0.545  -3.246
  646   1HB   TYR  79          1HB       TYR  79 -10.069   0.513  -1.203
  647   2HB   TYR  79          2HB       TYR  79  -9.285  -0.949  -0.674
  648    HD1  TYR  79           HD1      TYR  79  -8.926   2.153  -2.487
  649    HD2  TYR  79           HD2      TYR  79  -7.148  -1.651  -1.823
  650    HE1  TYR  79           HE1      TYR  79  -6.737   3.041  -3.181
  651    HE2  TYR  79           HE2      TYR  79  -4.984  -0.787  -2.524
  652    HH   TYR  79           HH       TYR  79  -4.451   2.448  -2.628
  653    H    GLY  80           H        GLY  80  -8.842  -2.727  -1.296
  654   1HA   GLY  80          1HA       GLY  80  -8.814  -5.025  -2.633
  655   2HA   GLY  80          2HA       GLY  80  -7.773  -3.979  -3.607
  656    H    THR  81           H        THR  81  -6.307  -5.788  -2.733
  657    HA   THR  81           HA       THR  81  -5.163  -4.834  -0.202
  658    HB   THR  81           HB       THR  81  -4.877  -7.638  -1.263
  659    HG1  THR  81           HG1      THR  81  -6.826  -6.725   0.643
  660   1HG2  THR  81          1HG2      THR  81  -4.434  -8.127   1.097
  661   2HG2  THR  81          2HG2      THR  81  -4.719  -6.436   1.502
  662   3HG2  THR  81          3HG2      THR  81  -3.340  -6.878   0.498
  663    H    ALA  82           H        ALA  82  -2.834  -4.920  -0.077
  664    HA   ALA  82           HA       ALA  82  -1.538  -4.603  -2.689
  665   1HB   ALA  82          1HB       ALA  82   0.029  -3.194  -1.550
  666   2HB   ALA  82          2HB       ALA  82  -0.636  -3.642   0.011
  667   3HB   ALA  82          3HB       ALA  82  -1.590  -2.658  -1.087
  668    H    VAL  83           H        VAL  83  -0.484  -6.412  -3.265
  669    HA   VAL  83           HA       VAL  83   0.983  -7.838  -1.180
  670    HB   VAL  83           HB       VAL  83   0.444  -8.668  -4.073
  671   1HG1  VAL  83          1HG1      VAL  83   2.451  -9.678  -3.160
  672   2HG1  VAL  83          2HG1      VAL  83   1.194 -10.904  -3.335
  673   3HG1  VAL  83          3HG1      VAL  83   1.558 -10.227  -1.745
  674   1HG2  VAL  83          1HG2      VAL  83  -1.175 -10.295  -3.184
  675   2HG2  VAL  83          2HG2      VAL  83  -1.659  -8.634  -2.838
  676   3HG2  VAL  83          3HG2      VAL  83  -0.947  -9.627  -1.567
  677    H    VAL  84           H        VAL  84   2.619  -6.432  -0.985
  678    HA   VAL  84           HA       VAL  84   3.929  -5.611  -3.459
  679    HB   VAL  84           HB       VAL  84   4.817  -3.703  -2.218
  680   1HG1  VAL  84          1HG1      VAL  84   2.742  -2.545  -1.802
  681   2HG1  VAL  84          2HG1      VAL  84   1.885  -4.090  -1.865
  682   3HG1  VAL  84          3HG1      VAL  84   2.711  -3.480  -3.297
  683   1HG2  VAL  84          1HG2      VAL  84   3.279  -4.794   0.148
  684   2HG2  VAL  84          2HG2      VAL  84   4.129  -3.250   0.078
  685   3HG2  VAL  84          3HG2      VAL  84   5.036  -4.761   0.010
  686    H    GLU  85           H        GLU  85   5.953  -6.133  -3.903
  687    HA   GLU  85           HA       GLU  85   7.497  -7.345  -1.771
  688   1HB   GLU  85          1HB       GLU  85   6.670  -9.171  -3.173
  689   2HB   GLU  85          2HB       GLU  85   7.329  -8.387  -4.608
  690   1HG   GLU  85          1HG       GLU  85   9.589  -8.589  -3.635
  691   2HG   GLU  85          2HG       GLU  85   8.876  -9.431  -2.260
  692    H    LEU  86           H        LEU  86   9.215  -6.193  -1.485
  693    HA   LEU  86           HA       LEU  86  10.189  -4.540  -3.682
  694   1HB   LEU  86          1HB       LEU  86   9.630  -3.518  -1.492
  695   2HB   LEU  86          2HB       LEU  86  10.871  -4.504  -0.743
  696    HG   LEU  86           HG       LEU  86  12.498  -3.352  -2.321
  697   1HD1  LEU  86          1HD1      LEU  86  11.886  -1.161  -3.146
  698   2HD1  LEU  86          2HD1      LEU  86  10.218  -1.443  -2.651
  699   3HD1  LEU  86          3HD1      LEU  86  10.953  -2.454  -3.898
  700   1HD2  LEU  86          1HD2      LEU  86  11.105  -1.738  -0.184
  701   2HD2  LEU  86          2HD2      LEU  86  12.687  -1.368  -0.858
  702   3HD2  LEU  86          3HD2      LEU  86  12.447  -2.856   0.058
  703    HA   PRO  87           HA       PRO  87  13.511  -7.629  -3.793
  704   1HB   PRO  87          1HB       PRO  87  14.809  -6.740  -5.958
  705   2HB   PRO  87          2HB       PRO  87  13.222  -7.510  -6.098
  706   1HG   PRO  87          1HG       PRO  87  13.919  -4.604  -6.122
  707   2HG   PRO  87          2HG       PRO  87  12.785  -5.491  -7.153
  708   1HD   PRO  87          1HD       PRO  87  12.040  -4.008  -4.970
  709   2HD   PRO  87          2HD       PRO  87  11.102  -5.374  -5.604
  710    H    VAL  88           H        VAL  88  13.609  -4.675  -2.689
  711    HA   VAL  88           HA       VAL  88  16.525  -4.456  -2.395
  712    HB   VAL  88           HB       VAL  88  14.470  -2.389  -1.525
  713   1HG1  VAL  88          1HG1      VAL  88  16.293  -0.804  -1.636
  714   2HG1  VAL  88          2HG1      VAL  88  17.390  -2.095  -2.124
  715   3HG1  VAL  88          3HG1      VAL  88  16.632  -2.132  -0.531
  716   1HG2  VAL  88          1HG2      VAL  88  14.139  -2.697  -3.930
  717   2HG2  VAL  88          2HG2      VAL  88  15.864  -2.455  -4.205
  718   3HG2  VAL  88          3HG2      VAL  88  14.874  -1.129  -3.598
  719    H    ASP  89           H        ASP  89  17.169  -4.067  -0.098
  720    HA   ASP  89           HA       ASP  89  15.948  -5.974   1.581
  721   1HB   ASP  89          1HB       ASP  89  18.084  -3.926   2.018
  722   2HB   ASP  89          2HB       ASP  89  17.525  -4.969   3.321
  723    HA   PRO  90           HA       PRO  90  12.816  -3.814   3.759
  724   1HB   PRO  90          1HB       PRO  90  13.051  -4.861   6.269
  725   2HB   PRO  90          2HB       PRO  90  12.360  -5.751   4.907
  726   1HG   PRO  90          1HG       PRO  90  15.145  -5.845   6.007
  727   2HG   PRO  90          2HG       PRO  90  14.078  -7.188   5.547
  728   1HD   PRO  90          1HD       PRO  90  16.021  -6.366   3.926
  729   2HD   PRO  90          2HD       PRO  90  14.444  -6.864   3.280
  730    H    GLU  91           H        GLU  91  16.046  -3.456   4.556
  731    HA   GLU  91           HA       GLU  91  16.056  -1.801   6.808
  732   1HB   GLU  91          1HB       GLU  91  18.254  -1.019   5.968
  733   2HB   GLU  91          2HB       GLU  91  18.103  -2.768   5.940
  734   1HG   GLU  91          1HG       GLU  91  17.610  -2.660   3.529
  735   2HG   GLU  91          2HG       GLU  91  17.837  -0.926   3.567
  736    H    GLU  92           H        GLU  92  15.161  -1.212   3.532
  737    HA   GLU  92           HA       GLU  92  15.367   1.587   3.449
  738   1HB   GLU  92          1HB       GLU  92  15.095   0.211   1.449
  739   2HB   GLU  92          2HB       GLU  92  13.499  -0.276   1.993
  740   1HG   GLU  92          1HG       GLU  92  13.293   1.387   0.264
  741   2HG   GLU  92          2HG       GLU  92  12.727   2.030   1.798
  742    H    ILE  93           H        ILE  93  13.022  -0.486   4.962
  743    HA   ILE  93           HA       ILE  93  10.786   1.237   5.032
  744    HB   ILE  93           HB       ILE  93  11.642  -0.816   7.061
  745   1HG1  ILE  93          1HG1      ILE  93   9.675  -1.090   4.779
  746   2HG1  ILE  93          2HG1      ILE  93  11.308  -1.749   4.805
  747   1HG2  ILE  93          1HG2      ILE  93   8.919   0.459   6.668
  748   2HG2  ILE  93          2HG2      ILE  93   9.998   0.703   8.043
  749   3HG2  ILE  93          3HG2      ILE  93   9.258  -0.876   7.771
  750   1HD1  ILE  93          1HD1      ILE  93   9.667  -3.459   5.296
  751   2HD1  ILE  93          2HD1      ILE  93   9.064  -2.515   6.659
  752   3HD1  ILE  93          3HD1      ILE  93  10.699  -3.173   6.696
  753    H    GLU  94           H        GLU  94  13.560   0.950   7.187
  754    HA   GLU  94           HA       GLU  94  12.665   2.612   9.282
  755   1HB   GLU  94          1HB       GLU  94  15.512   2.378   8.301
  756   2HB   GLU  94          2HB       GLU  94  14.981   2.789   9.922
  757   1HG   GLU  94          1HG       GLU  94  14.063   0.532  10.167
  758   2HG   GLU  94          2HG       GLU  94  14.671   0.128   8.563
  759    H    ARG  95           H        ARG  95  14.506   3.266   6.416
  760    HA   ARG  95           HA       ARG  95  14.871   6.031   6.862
  761   1HB   ARG  95          1HB       ARG  95  16.274   4.444   5.447
  762   2HB   ARG  95          2HB       ARG  95  14.994   4.486   4.256
  763   1HG   ARG  95          1HG       ARG  95  16.468   6.948   5.160
  764   2HG   ARG  95          2HG       ARG  95  17.021   5.932   3.838
  765   1HD   ARG  95          1HD       ARG  95  14.334   7.269   3.974
  766   2HD   ARG  95          2HD       ARG  95  15.736   7.914   3.119
  767    HE   ARG  95           HE       ARG  95  14.962   5.235   2.337
  768   1HH1  ARG  95          1HH1      ARG  95  14.564   8.706   1.727
  769   2HH1  ARG  95          2HH1      ARG  95  14.059   8.497   0.125
  770   1HH2  ARG  95          1HH2      ARG  95  14.324   4.953   0.149
  771   2HH2  ARG  95          2HH2      ARG  95  13.890   6.303  -0.809
  772    H    ILE  96           H        ILE  96  12.611   4.058   5.045
  773    HA   ILE  96           HA       ILE  96  11.132   6.129   3.868
  774    HB   ILE  96           HB       ILE  96  10.918   3.250   4.158
  775   1HG1  ILE  96          1HG1      ILE  96  10.634   5.138   1.831
  776   2HG1  ILE  96          2HG1      ILE  96  12.002   4.109   2.226
  777   1HG2  ILE  96          1HG2      ILE  96   8.660   3.647   4.822
  778   2HG2  ILE  96          2HG2      ILE  96   8.596   3.129   3.131
  779   3HG2  ILE  96          3HG2      ILE  96   8.441   4.841   3.552
  780   1HD1  ILE  96          1HD1      ILE  96  10.613   2.130   1.720
  781   2HD1  ILE  96          2HD1      ILE  96  10.778   3.216   0.342
  782   3HD1  ILE  96          3HD1      ILE  96   9.286   3.206   1.281
  783    H    LEU  97           H        LEU  97  10.893   4.683   7.026
  784    HA   LEU  97           HA       LEU  97   8.250   5.490   7.569
  785   1HB   LEU  97          1HB       LEU  97   9.485   3.810   8.898
  786   2HB   LEU  97          2HB       LEU  97  10.537   5.074   9.501
  787    HG   LEU  97           HG       LEU  97   8.589   6.124  10.621
  788   1HD1  LEU  97          1HD1      LEU  97   6.805   5.326   9.185
  789   2HD1  LEU  97          2HD1      LEU  97   6.509   4.851  10.854
  790   3HD1  LEU  97          3HD1      LEU  97   7.112   3.668   9.697
  791   1HD2  LEU  97          1HD2      LEU  97   8.373   4.451  12.393
  792   2HD2  LEU  97          2HD2      LEU  97  10.041   4.602  11.846
  793   3HD2  LEU  97          3HD2      LEU  97   9.064   3.230  11.324
  794    H    GLU  98           H        GLU  98  11.327   7.084   7.916
  795    HA   GLU  98           HA       GLU  98  10.279   9.435   9.216
  796   1HB   GLU  98          1HB       GLU  98  12.634   8.602   9.396
  797   2HB   GLU  98          2HB       GLU  98  12.836   9.024   7.706
  798   1HG   GLU  98          1HG       GLU  98  13.813  10.726   9.139
  799   2HG   GLU  98          2HG       GLU  98  12.462  11.371   8.211
  800    H    VAL  99           H        VAL  99  11.068   8.381   6.026
  801    HA   VAL  99           HA       VAL  99  10.524  10.943   4.803
  802    HB   VAL  99           HB       VAL  99  11.548   8.296   3.681
  803   1HG1  VAL  99          1HG1      VAL  99  10.486   9.660   1.869
  804   2HG1  VAL  99          2HG1      VAL  99  12.233   9.546   1.659
  805   3HG1  VAL  99          3HG1      VAL  99  11.521  11.020   2.313
  806   1HG2  VAL  99          1HG2      VAL  99  13.710   9.439   3.572
  807   2HG2  VAL  99          2HG2      VAL  99  13.079   9.339   5.217
  808   3HG2  VAL  99          3HG2      VAL  99  12.987  10.859   4.328
  809    H    ALA 100           H        ALA 100   8.480   8.991   6.038
  810    HA   ALA 100           HA       ALA 100   6.867   7.731   4.175
  811   1HB   ALA 100          1HB       ALA 100   5.913   9.071   6.681
  812   2HB   ALA 100          2HB       ALA 100   6.669   7.473   6.581
  813   3HB   ALA 100          3HB       ALA 100   5.116   7.765   5.792
  814    H    GLU 101           H        GLU 101   6.547  11.094   5.227
  815    HA   GLU 101           HA       GLU 101   4.368  11.340   3.372
  816   1HB   GLU 101          1HB       GLU 101   5.444  13.398   5.302
  817   2HB   GLU 101          2HB       GLU 101   4.041  13.617   4.266
  818   1HG   GLU 101          1HG       GLU 101   2.942  11.718   5.412
  819   2HG   GLU 101          2HG       GLU 101   4.330  11.604   6.487
  820    HA   PRO 102           HA       PRO 102   7.858  14.581   1.746
  821   1HB   PRO 102          1HB       PRO 102   9.733  12.259   1.971
  822   2HB   PRO 102          2HB       PRO 102  10.134  13.973   1.740
  823   1HG   PRO 102          1HG       PRO 102  10.171  12.958   4.173
  824   2HG   PRO 102          2HG       PRO 102   9.445  14.550   3.890
  825   1HD   PRO 102          1HD       PRO 102   8.122  11.968   4.499
  826   2HD   PRO 102          2HD       PRO 102   7.565  13.625   4.809
  Start of MODEL    4
    1    H    HIS   1           H        HIS   1   2.195   9.708 -11.698
    2    HA   HIS   1           HA       HIS   1   0.635   8.036 -11.984
    3   1HB   HIS   1          1HB       HIS   1   1.972   6.707 -13.657
    4   2HB   HIS   1          2HB       HIS   1   3.011   6.173 -12.350
    5    HD1  HIS   1           HD1      HIS   1  -0.502   5.700 -13.711
    6    HD2  HIS   1           HD2      HIS   1   2.077   4.025 -10.913
    7    HE1  HIS   1           HE1      HIS   1  -1.593   3.578 -12.947
    8    H    MET   2           H        MET   2   0.514   9.023  -9.974
    9    HA   MET   2           HA       MET   2   1.645   7.558  -7.676
   10   1HB   MET   2          1HB       MET   2   1.255  10.543  -8.050
   11   2HB   MET   2          2HB       MET   2   1.662   9.768  -6.536
   12   1HG   MET   2          1HG       MET   2   3.626  10.779  -7.384
   13   2HG   MET   2          2HG       MET   2   3.832   9.047  -7.598
   14   1HE   MET   2          1HE       MET   2   5.872   9.483  -9.192
   15   2HE   MET   2          2HE       MET   2   5.689  11.222  -8.965
   16   3HE   MET   2          3HE       MET   2   5.824  10.551 -10.592
   17    H    THR   3           H        THR   3  -0.002   7.200  -6.145
   18    HA   THR   3           HA       THR   3  -2.618   8.096  -7.061
   19    HB   THR   3           HB       THR   3  -2.477   5.686  -7.138
   20    HG1  THR   3           HG1      THR   3  -4.185   5.172  -5.707
   21   1HG2  THR   3          1HG2      THR   3  -1.833   5.789  -4.187
   22   2HG2  THR   3          2HG2      THR   3  -0.724   5.307  -5.472
   23   3HG2  THR   3          3HG2      THR   3  -2.144   4.322  -5.115
   24    H    PHE   4           H        PHE   4  -3.648   9.472  -5.968
   25    HA   PHE   4           HA       PHE   4  -3.197   9.636  -3.106
   26   1HB   PHE   4          1HB       PHE   4  -3.656  12.005  -4.934
   27   2HB   PHE   4          2HB       PHE   4  -3.396  12.061  -3.188
   28    HD1  PHE   4           HD1      PHE   4  -1.211  11.052  -2.318
   29    HD2  PHE   4           HD2      PHE   4  -1.857  12.163  -6.357
   30    HE1  PHE   4           HE1      PHE   4   1.209  11.059  -2.695
   31    HE2  PHE   4           HE2      PHE   4   0.552  12.183  -6.743
   32    HZ   PHE   4           HZ       PHE   4   2.094  11.603  -4.901
   33    H    CYS   5           H        CYS   5  -5.290   8.922  -5.489
   34    HA   CYS   5           HA       CYS   5  -7.683  10.124  -4.418
   35   1HB   CYS   5          1HB       CYS   5  -8.732   8.818  -6.287
   36   2HB   CYS   5          2HB       CYS   5  -7.520   9.984  -6.809
   37    HG   CYS   5           HG       CYS   5  -6.339   6.917  -6.241
   38    H    LEU   6           H        LEU   6  -8.200   9.295  -2.514
   39    HA   LEU   6           HA       LEU   6  -8.043   6.431  -2.243
   40   1HB   LEU   6          1HB       LEU   6  -8.428   6.808   0.234
   41   2HB   LEU   6          2HB       LEU   6  -6.902   7.280  -0.435
   42    HG   LEU   6           HG       LEU   6  -7.569   8.733   1.328
   43   1HD1  LEU   6          1HD1      LEU   6  -7.420  10.937   0.326
   44   2HD1  LEU   6          2HD1      LEU   6  -7.556  10.190  -1.267
   45   3HD1  LEU   6          3HD1      LEU   6  -6.213   9.779  -0.209
   46   1HD2  LEU   6          1HD2      LEU   6  -9.973   8.570   1.277
   47   2HD2  LEU   6          2HD2      LEU   6 -10.027   9.466  -0.242
   48   3HD2  LEU   6          3HD2      LEU   6  -9.475  10.261   1.229
   49    H    GLU   7           H        GLU   7 -10.360   8.984  -1.923
   50    HA   GLU   7           HA       GLU   7 -12.394   7.138  -1.144
   51   1HB   GLU   7          1HB       GLU   7 -12.252   9.331  -0.203
   52   2HB   GLU   7          2HB       GLU   7 -12.514  10.101  -1.733
   53   1HG   GLU   7          1HG       GLU   7 -14.762   8.964  -1.780
   54   2HG   GLU   7          2HG       GLU   7 -14.421   8.435  -0.131
   55    H    THR   8           H        THR   8 -11.061   7.824  -4.126
   56    HA   THR   8           HA       THR   8 -13.426   7.873  -5.686
   57    HB   THR   8           HB       THR   8 -11.764   7.170  -7.507
   58    HG1  THR   8           HG1      THR   8  -9.879   6.573  -6.832
   59   1HG2  THR   8          1HG2      THR   8 -11.148   9.624  -5.851
   60   2HG2  THR   8          2HG2      THR   8 -12.381   9.524  -7.108
   61   3HG2  THR   8          3HG2      THR   8 -10.674   9.378  -7.531
   62    H    TYR   9           H        TYR   9 -11.533   5.486  -4.119
   63    HA   TYR   9           HA       TYR   9 -12.548   3.281  -5.621
   64   1HB   TYR   9          1HB       TYR   9 -10.297   3.269  -4.490
   65   2HB   TYR   9          2HB       TYR   9 -11.132   3.211  -2.945
   66    HD1  TYR   9           HD1      TYR   9 -11.246   1.384  -6.207
   67    HD2  TYR   9           HD2      TYR   9 -11.247   1.124  -1.965
   68    HE1  TYR   9           HE1      TYR   9 -11.318  -1.064  -6.363
   69    HE2  TYR   9           HE2      TYR   9 -11.332  -1.322  -2.110
   70    HH   TYR   9           HH       TYR   9 -11.840  -3.053  -3.568
   71    H    LEU  10           H        LEU  10 -13.590   5.153  -2.955
   72    HA   LEU  10           HA       LEU  10 -15.268   3.321  -1.616
   73   1HB   LEU  10          1HB       LEU  10 -14.501   5.526  -0.705
   74   2HB   LEU  10          2HB       LEU  10 -15.521   6.340  -1.857
   75    HG   LEU  10           HG       LEU  10 -16.647   4.553   0.318
   76   1HD1  LEU  10          1HD1      LEU  10 -17.015   6.559   1.629
   77   2HD1  LEU  10          2HD1      LEU  10 -16.245   7.537   0.388
   78   3HD1  LEU  10          3HD1      LEU  10 -15.289   6.366   1.303
   79   1HD2  LEU  10          1HD2      LEU  10 -18.682   5.873  -0.036
   80   2HD2  LEU  10          2HD2      LEU  10 -18.176   5.098  -1.538
   81   3HD2  LEU  10          3HD2      LEU  10 -17.865   6.814  -1.284
   82    H    GLN  11           H        GLN  11 -15.676   5.339  -4.433
   83    HA   GLN  11           HA       GLN  11 -18.463   5.049  -4.825
   84   1HB   GLN  11          1HB       GLN  11 -16.162   5.842  -6.537
   85   2HB   GLN  11          2HB       GLN  11 -17.687   5.481  -7.307
   86   1HG   GLN  11          1HG       GLN  11 -17.443   7.867  -6.988
   87   2HG   GLN  11          2HG       GLN  11 -18.741   7.274  -5.964
   88   1HE2  GLN  11          1HE2      GLN  11 -15.551   8.598  -6.081
   89   2HE2  GLN  11          2HE2      GLN  11 -15.438   8.990  -4.407
   90    H    GLN  12           H        GLN  12 -15.932   2.876  -5.122
   91    HA   GLN  12           HA       GLN  12 -17.208   1.406  -7.236
   92   1HB   GLN  12          1HB       GLN  12 -14.726   0.558  -5.746
   93   2HB   GLN  12          2HB       GLN  12 -15.248   0.073  -7.355
   94   1HG   GLN  12          1HG       GLN  12 -14.312   2.808  -6.539
   95   2HG   GLN  12          2HG       GLN  12 -13.381   1.645  -7.488
   96   1HE2  GLN  12          1HE2      GLN  12 -14.225   4.381  -8.000
   97   2HE2  GLN  12          2HE2      GLN  12 -15.107   4.345  -9.475
   98    H    SER  13           H        SER  13 -16.274   1.063  -3.837
   99    HA   SER  13           HA       SER  13 -18.542  -0.528  -3.179
  100   1HB   SER  13          1HB       SER  13 -15.825  -1.905  -3.055
  101   2HB   SER  13          2HB       SER  13 -17.314  -2.543  -2.368
  102    HG   SER  13           HG       SER  13 -17.678  -1.886  -4.934
  103    H    GLY  14           H        GLY  14 -15.216  -0.230  -2.006
  104   1HA   GLY  14          1HA       GLY  14 -16.136   1.270   0.285
  105   2HA   GLY  14          2HA       GLY  14 -15.277  -0.250   0.570
  106    H    GLU  15           H        GLU  15 -13.921   1.680   1.594
  107    HA   GLU  15           HA       GLU  15 -12.169   2.780  -0.466
  108   1HB   GLU  15          1HB       GLU  15 -13.263   4.169   1.417
  109   2HB   GLU  15          2HB       GLU  15 -12.142   3.374   2.501
  110   1HG   GLU  15          1HG       GLU  15 -10.261   4.360   1.291
  111   2HG   GLU  15          2HG       GLU  15 -11.382   5.137   0.172
  112    H    TYR  16           H        TYR  16  -9.714   2.862   0.464
  113    HA   TYR  16           HA       TYR  16  -9.000   0.268   1.593
  114   1HB   TYR  16          1HB       TYR  16  -8.537  -0.037  -0.720
  115   2HB   TYR  16          2HB       TYR  16  -8.045   1.624  -0.932
  116    HD1  TYR  16           HD1      TYR  16  -5.865   1.973  -1.388
  117    HD2  TYR  16           HD2      TYR  16  -6.806  -1.466   0.918
  118    HE1  TYR  16           HE1      TYR  16  -3.509   1.353  -1.398
  119    HE2  TYR  16           HE2      TYR  16  -4.409  -2.101   0.921
  120    HH   TYR  16           HH       TYR  16  -2.007   0.124  -0.148
  121    H    GLU  17           H        GLU  17  -9.339   3.065   2.465
  122    HA   GLU  17           HA       GLU  17  -6.745   3.568   3.645
  123   1HB   GLU  17          1HB       GLU  17  -8.461   5.389   2.044
  124   2HB   GLU  17          2HB       GLU  17  -7.591   6.075   3.387
  125   1HG   GLU  17          1HG       GLU  17  -6.385   6.447   1.374
  126   2HG   GLU  17          2HG       GLU  17  -5.479   5.303   2.342
  127    H    ILE  18           H        ILE  18  -7.458   5.739   5.200
  128    HA   ILE  18           HA       ILE  18  -9.874   4.839   6.414
  129    HB   ILE  18           HB       ILE  18  -8.093   4.114   7.922
  130   1HG1  ILE  18          1HG1      ILE  18  -9.860   6.250   9.144
  131   2HG1  ILE  18          2HG1      ILE  18 -10.262   4.561   8.910
  132   1HG2  ILE  18          1HG2      ILE  18  -6.352   5.673   7.649
  133   2HG2  ILE  18          2HG2      ILE  18  -6.863   5.805   9.333
  134   3HG2  ILE  18          3HG2      ILE  18  -7.373   7.019   8.159
  135   1HD1  ILE  18          1HD1      ILE  18  -8.123   5.604  10.753
  136   2HD1  ILE  18          2HD1      ILE  18  -8.587   3.914  10.567
  137   3HD1  ILE  18          3HD1      ILE  18  -9.730   5.076  11.236
  138    H    HIS  19           H        HIS  19 -10.136   6.631   4.602
  139    HA   HIS  19           HA       HIS  19 -10.892   8.639   3.948
  140   1HB   HIS  19          1HB       HIS  19 -11.826   8.771   6.838
  141   2HB   HIS  19          2HB       HIS  19 -12.354   9.879   5.582
  142    HD1  HIS  19           HD1      HIS  19 -12.801   7.480   3.369
  143    HD2  HIS  19           HD2      HIS  19 -14.270   7.611   7.267
  144    HE1  HIS  19           HE1      HIS  19 -14.867   6.093   3.376
  145    H    MET  20           H        MET  20  -8.250   8.547   4.748
  146    HA   MET  20           HA       MET  20  -7.710  11.315   5.584
  147   1HB   MET  20          1HB       MET  20  -6.341   8.733   6.315
  148   2HB   MET  20          2HB       MET  20  -5.488  10.268   6.534
  149   1HG   MET  20          1HG       MET  20  -8.101   9.429   7.786
  150   2HG   MET  20          2HG       MET  20  -6.533   9.351   8.577
  151   1HE   MET  20          1HE       MET  20  -5.011  11.908   8.174
  152   2HE   MET  20          2HE       MET  20  -5.406  11.300   9.783
  153   3HE   MET  20          3HE       MET  20  -5.684  12.995   9.388
  154    H    LYS  21           H        LYS  21  -4.860  11.305   4.788
  155    HA   LYS  21           HA       LYS  21  -5.430  11.218   1.912
  156   1HB   LYS  21          1HB       LYS  21  -2.931  12.259   3.227
  157   2HB   LYS  21          2HB       LYS  21  -3.394  12.452   1.557
  158   1HG   LYS  21          1HG       LYS  21  -4.759  13.682   3.930
  159   2HG   LYS  21          2HG       LYS  21  -3.733  14.505   2.756
  160   1HD   LYS  21          1HD       LYS  21  -5.359  13.960   0.987
  161   2HD   LYS  21          2HD       LYS  21  -6.393  13.190   2.195
  162   1HE   LYS  21          1HE       LYS  21  -5.576  16.087   2.107
  163   2HE   LYS  21          2HE       LYS  21  -7.170  15.445   1.751
  164   1HZ   LYS  21          1HZ       LYS  21  -7.109  16.331   3.987
  165   2HZ   LYS  21          2HZ       LYS  21  -5.821  15.347   4.405
  166   3HZ   LYS  21          3HZ       LYS  21  -7.302  14.662   4.060
  167    H    ARG  22           H        ARG  22  -4.419   9.976   0.473
  168    HA   ARG  22           HA       ARG  22  -2.684   7.917   1.612
  169   1HB   ARG  22          1HB       ARG  22  -3.567   6.347   0.010
  170   2HB   ARG  22          2HB       ARG  22  -4.910   7.340   0.466
  171   1HG   ARG  22          1HG       ARG  22  -4.885   8.540  -1.543
  172   2HG   ARG  22          2HG       ARG  22  -3.296   7.904  -1.970
  173   1HD   ARG  22          1HD       ARG  22  -5.784   6.236  -1.690
  174   2HD   ARG  22          2HD       ARG  22  -5.155   6.883  -3.205
  175    HE   ARG  22           HE       ARG  22  -3.057   5.489  -2.265
  176   1HH1  ARG  22          1HH1      ARG  22  -6.405   4.483  -2.171
  177   2HH1  ARG  22          2HH1      ARG  22  -6.157   2.942  -2.823
  178   1HH2  ARG  22          1HH2      ARG  22  -2.611   3.272  -3.070
  179   2HH2  ARG  22          2HH2      ARG  22  -3.940   2.262  -3.352
  180    H    ALA  23           H        ALA  23  -0.615   7.665   0.672
  181    HA   ALA  23           HA       ALA  23  -0.141   9.301  -1.672
  182   1HB   ALA  23          1HB       ALA  23   1.727   9.145   0.699
  183   2HB   ALA  23          2HB       ALA  23   0.690  10.516   0.300
  184   3HB   ALA  23          3HB       ALA  23   2.000  10.057  -0.787
  185    H    GLY  24           H        GLY  24  -0.192   7.540  -3.006
  186   1HA   GLY  24          1HA       GLY  24   1.840   5.499  -2.537
  187   2HA   GLY  24          2HA       GLY  24   0.373   5.285  -3.494
  188    H    PHE  25           H        PHE  25   3.456   6.906  -3.363
  189    HA   PHE  25           HA       PHE  25   3.255   7.998  -5.990
  190   1HB   PHE  25          1HB       PHE  25   5.683   7.552  -4.262
  191   2HB   PHE  25          2HB       PHE  25   5.687   8.442  -5.772
  192    HD1  PHE  25           HD1      PHE  25   4.966  10.675  -5.863
  193    HD2  PHE  25           HD2      PHE  25   4.481   8.409  -2.325
  194    HE1  PHE  25           HE1      PHE  25   4.500  12.756  -4.615
  195    HE2  PHE  25           HE2      PHE  25   4.010  10.476  -1.046
  196    HZ   PHE  25           HZ       PHE  25   4.019  12.653  -2.199
  197    H    ARG  26           H        ARG  26   5.214   5.435  -4.662
  198    HA   ARG  26           HA       ARG  26   5.896   4.518  -7.348
  199   1HB   ARG  26          1HB       ARG  26   6.936   3.979  -4.615
  200   2HB   ARG  26          2HB       ARG  26   7.364   2.949  -5.966
  201   1HG   ARG  26          1HG       ARG  26   7.744   5.892  -6.190
  202   2HG   ARG  26          2HG       ARG  26   8.884   4.915  -5.259
  203   1HD   ARG  26          1HD       ARG  26   9.665   5.159  -7.555
  204   2HD   ARG  26          2HD       ARG  26   9.256   3.489  -7.206
  205    HE   ARG  26           HE       ARG  26   7.626   5.339  -8.805
  206   1HH1  ARG  26          1HH1      ARG  26   8.451   2.002  -7.914
  207   2HH1  ARG  26          2HH1      ARG  26   7.817   1.299  -9.325
  208   1HH2  ARG  26          1HH2      ARG  26   6.731   4.354 -10.786
  209   2HH2  ARG  26          2HH2      ARG  26   6.842   2.676 -11.000
  210    H    GLU  27           H        GLU  27   4.110   3.493  -4.552
  211    HA   GLU  27           HA       GLU  27   3.879   0.776  -5.533
  212   1HB   GLU  27          1HB       GLU  27   3.956   1.593  -3.050
  213   2HB   GLU  27          2HB       GLU  27   2.263   1.941  -3.346
  214   1HG   GLU  27          1HG       GLU  27   1.760  -0.341  -3.697
  215   2HG   GLU  27          2HG       GLU  27   3.467  -0.787  -3.640
  216    H    CYS  28           H        CYS  28   2.426   3.692  -6.364
  217    HA   CYS  28           HA       CYS  28  -0.253   3.155  -6.683
  218   1HB   CYS  28          1HB       CYS  28   0.797   5.333  -7.172
  219   2HB   CYS  28          2HB       CYS  28   1.573   4.636  -8.586
  220    HG   CYS  28           HG       CYS  28  -0.655   4.318 -10.058
  221    H    ALA  29           H        ALA  29   2.501   2.167  -8.684
  222    HA   ALA  29           HA       ALA  29   0.958   1.088 -10.786
  223   1HB   ALA  29          1HB       ALA  29   3.039   0.027 -11.497
  224   2HB   ALA  29          2HB       ALA  29   3.771   0.415  -9.940
  225   3HB   ALA  29          3HB       ALA  29   3.315   1.711 -11.045
  226    H    ALA  30           H        ALA  30   2.431  -0.220  -7.913
  227    HA   ALA  30           HA       ALA  30   1.735  -2.887  -8.198
  228   1HB   ALA  30          1HB       ALA  30   2.070  -3.037  -5.798
  229   2HB   ALA  30          2HB       ALA  30   1.973  -1.281  -5.674
  230   3HB   ALA  30          3HB       ALA  30   3.313  -2.022  -6.538
  231    H    MET  31           H        MET  31  -0.042  -0.141  -6.785
  232    HA   MET  31           HA       MET  31  -2.082  -1.551  -5.528
  233   1HB   MET  31          1HB       MET  31  -3.277   0.427  -5.214
  234   2HB   MET  31          2HB       MET  31  -1.651   1.034  -5.462
  235   1HG   MET  31          1HG       MET  31  -2.165   1.713  -7.689
  236   2HG   MET  31          2HG       MET  31  -3.698   0.854  -7.661
  237   1HE   MET  31          1HE       MET  31  -4.842   4.553  -7.906
  238   2HE   MET  31          2HE       MET  31  -4.984   2.929  -8.579
  239   3HE   MET  31          3HE       MET  31  -3.453   3.797  -8.690
  240    H    ILE  32           H        ILE  32  -1.766  -0.712  -8.851
  241    HA   ILE  32           HA       ILE  32  -4.401  -1.213  -9.691
  242    HB   ILE  32           HB       ILE  32  -1.758  -1.344 -11.164
  243   1HG1  ILE  32          1HG1      ILE  32  -2.240   0.876 -10.303
  244   2HG1  ILE  32          2HG1      ILE  32  -2.353   0.869 -12.055
  245   1HG2  ILE  32          1HG2      ILE  32  -3.014  -1.171 -13.270
  246   2HG2  ILE  32          2HG2      ILE  32  -4.526  -1.301 -12.373
  247   3HG2  ILE  32          3HG2      ILE  32  -3.400  -2.659 -12.401
  248   1HD1  ILE  32          1HD1      ILE  32  -4.802   0.792 -11.878
  249   2HD1  ILE  32          2HD1      ILE  32  -4.113   2.211 -11.089
  250   3HD1  ILE  32          3HD1      ILE  32  -4.666   0.848 -10.118
  251    H    GLU  33           H        GLU  33  -1.645  -3.317  -9.293
  252    HA   GLU  33           HA       GLU  33  -3.203  -5.520 -10.385
  253   1HB   GLU  33          1HB       GLU  33  -0.434  -5.579  -9.178
  254   2HB   GLU  33          2HB       GLU  33  -1.162  -6.771 -10.247
  255   1HG   GLU  33          1HG       GLU  33  -0.512  -3.949 -11.051
  256   2HG   GLU  33          2HG       GLU  33   0.533  -5.334 -11.340
  257    H    LYS  34           H        LYS  34  -2.218  -4.193  -7.401
  258    HA   LYS  34           HA       LYS  34  -2.600  -6.314  -5.632
  259   1HB   LYS  34          1HB       LYS  34  -2.765  -3.350  -5.376
  260   2HB   LYS  34          2HB       LYS  34  -3.204  -4.367  -4.015
  261   1HG   LYS  34          1HG       LYS  34  -1.058  -5.173  -3.746
  262   2HG   LYS  34          2HG       LYS  34  -0.587  -4.767  -5.391
  263   1HD   LYS  34          1HD       LYS  34   0.415  -3.375  -3.588
  264   2HD   LYS  34          2HD       LYS  34  -0.367  -2.494  -4.894
  265   1HE   LYS  34          1HE       LYS  34  -2.346  -2.109  -3.455
  266   2HE   LYS  34          2HE       LYS  34  -1.627  -3.032  -2.152
  267   1HZ   LYS  34          1HZ       LYS  34  -1.361  -0.677  -1.713
  268   2HZ   LYS  34          2HZ       LYS  34  -0.692  -0.348  -3.169
  269   3HZ   LYS  34          3HZ       LYS  34   0.170  -1.229  -2.045
  270    H    LYS  35           H        LYS  35  -4.904  -4.537  -7.439
  271    HA   LYS  35           HA       LYS  35  -7.022  -4.921  -5.634
  272   1HB   LYS  35          1HB       LYS  35  -8.577  -4.521  -7.600
  273   2HB   LYS  35          2HB       LYS  35  -7.512  -3.183  -7.156
  274   1HG   LYS  35          1HG       LYS  35  -7.738  -3.325  -9.518
  275   2HG   LYS  35          2HG       LYS  35  -6.124  -3.896  -9.115
  276   1HD   LYS  35          1HD       LYS  35  -6.913  -6.215  -9.326
  277   2HD   LYS  35          2HD       LYS  35  -8.519  -5.624  -9.747
  278   1HE   LYS  35          1HE       LYS  35  -5.994  -5.047 -11.284
  279   2HE   LYS  35          2HE       LYS  35  -7.168  -6.288 -11.710
  280   1HZ   LYS  35          1HZ       LYS  35  -7.492  -4.271 -12.988
  281   2HZ   LYS  35          2HZ       LYS  35  -7.705  -3.362 -11.586
  282   3HZ   LYS  35          3HZ       LYS  35  -8.828  -4.540 -12.002
  283    H    ALA  36           H        ALA  36  -5.467  -7.165  -7.552
  284    HA   ALA  36           HA       ALA  36  -7.693  -8.886  -8.119
  285   1HB   ALA  36          1HB       ALA  36  -6.017 -10.478  -8.900
  286   2HB   ALA  36          2HB       ALA  36  -4.737  -9.471  -8.215
  287   3HB   ALA  36          3HB       ALA  36  -5.719  -8.865  -9.549
  288    H    ARG  37           H        ARG  37  -4.909  -9.161  -5.934
  289    HA   ARG  37           HA       ARG  37  -6.462 -10.171  -3.789
  290   1HB   ARG  37          1HB       ARG  37  -6.228 -12.199  -5.366
  291   2HB   ARG  37          2HB       ARG  37  -4.516 -12.142  -4.966
  292   1HG   ARG  37          1HG       ARG  37  -4.989 -12.529  -2.636
  293   2HG   ARG  37          2HG       ARG  37  -6.724 -12.497  -2.953
  294   1HD   ARG  37          1HD       ARG  37  -6.427 -14.439  -4.472
  295   2HD   ARG  37          2HD       ARG  37  -4.728 -14.488  -4.004
  296    HE   ARG  37           HE       ARG  37  -6.430 -14.570  -1.735
  297   1HH1  ARG  37          1HH1      ARG  37  -5.179 -16.625  -4.332
  298   2HH1  ARG  37          2HH1      ARG  37  -5.386 -18.068  -3.470
  299   1HH2  ARG  37          1HH2      ARG  37  -6.643 -16.511  -0.529
  300   2HH2  ARG  37          2HH2      ARG  37  -6.187 -18.010  -1.202
  301    H    ARG  38           H        ARG  38  -3.181 -10.723  -5.069
  302    HA   ARG  38           HA       ARG  38  -2.103  -8.692  -3.506
  303   1HB   ARG  38          1HB       ARG  38  -0.622  -9.981  -2.028
  304   2HB   ARG  38          2HB       ARG  38  -2.306 -10.365  -1.734
  305   1HG   ARG  38          1HG       ARG  38  -2.089 -12.492  -2.798
  306   2HG   ARG  38          2HG       ARG  38  -0.437 -12.109  -3.311
  307   1HD   ARG  38          1HD       ARG  38   0.257 -11.913  -0.995
  308   2HD   ARG  38          2HD       ARG  38  -1.382 -12.225  -0.451
  309    HE   ARG  38           HE       ARG  38  -0.461 -14.373  -2.033
  310   1HH1  ARG  38          1HH1      ARG  38   0.091 -12.882   1.133
  311   2HH1  ARG  38          2HH1      ARG  38   0.510 -14.338   1.907
  312   1HH2  ARG  38          1HH2      ARG  38   0.142 -16.368  -0.965
  313   2HH2  ARG  38          2HH2      ARG  38   0.567 -16.376   0.674
  314    H    VAL  39           H        VAL  39  -0.393  -7.915  -4.576
  315    HA   VAL  39           HA       VAL  39   1.010  -9.721  -6.393
  316    HB   VAL  39           HB       VAL  39  -0.084  -6.986  -7.148
  317   1HG1  VAL  39          1HG1      VAL  39   1.543  -8.926  -8.826
  318   2HG1  VAL  39          2HG1      VAL  39   2.125  -7.387  -8.195
  319   3HG1  VAL  39          3HG1      VAL  39   0.843  -7.415  -9.404
  320   1HG2  VAL  39          1HG2      VAL  39  -1.773  -8.725  -7.165
  321   2HG2  VAL  39          2HG2      VAL  39  -0.753  -9.732  -8.190
  322   3HG2  VAL  39          3HG2      VAL  39  -1.406  -8.218  -8.811
  323    H    VAL  40           H        VAL  40   3.157  -9.000  -6.944
  324    HA   VAL  40           HA       VAL  40   4.260  -7.305  -4.870
  325    HB   VAL  40           HB       VAL  40   5.121  -9.646  -4.909
  326   1HG1  VAL  40          1HG1      VAL  40   6.508 -10.460  -6.747
  327   2HG1  VAL  40          2HG1      VAL  40   6.109  -9.014  -7.672
  328   3HG1  VAL  40          3HG1      VAL  40   4.841 -10.161  -7.245
  329   1HG2  VAL  40          1HG2      VAL  40   6.648  -7.903  -4.119
  330   2HG2  VAL  40          2HG2      VAL  40   7.217  -7.644  -5.768
  331   3HG2  VAL  40          3HG2      VAL  40   7.537  -9.179  -4.957
  332    H    HIS  41           H        HIS  41   5.757  -5.766  -5.372
  333    HA   HIS  41           HA       HIS  41   6.192  -5.150  -8.161
  334   1HB   HIS  41          1HB       HIS  41   4.162  -3.925  -7.418
  335   2HB   HIS  41          2HB       HIS  41   5.087  -3.213  -6.112
  336    HD1  HIS  41           HD1      HIS  41   4.810  -3.097  -9.903
  337    HD2  HIS  41           HD2      HIS  41   6.253  -0.838  -6.732
  338    HE1  HIS  41           HE1      HIS  41   5.633  -0.945 -10.892
  339    H    ILE  42           H        ILE  42   8.233  -4.090  -8.390
  340    HA   ILE  42           HA       ILE  42   9.801  -3.919  -5.938
  341    HB   ILE  42           HB       ILE  42  10.779  -5.325  -7.773
  342   1HG1  ILE  42          1HG1      ILE  42  12.366  -2.814  -7.177
  343   2HG1  ILE  42          2HG1      ILE  42  12.261  -4.228  -6.143
  344   1HG2  ILE  42          1HG2      ILE  42  10.937  -2.745  -9.320
  345   2HG2  ILE  42          2HG2      ILE  42   9.888  -4.110  -9.684
  346   3HG2  ILE  42          3HG2      ILE  42  11.640  -4.289  -9.812
  347   1HD1  ILE  42          1HD1      ILE  42  14.357  -4.173  -7.360
  348   2HD1  ILE  42          2HD1      ILE  42  13.477  -4.120  -8.888
  349   3HD1  ILE  42          3HD1      ILE  42  13.380  -5.554  -7.863
  350    H    LYS  43           H        LYS  43  10.942  -2.057  -5.429
  351    HA   LYS  43           HA       LYS  43  11.274   0.161  -5.140
  352   1HB   LYS  43          1HB       LYS  43  10.337   0.487  -7.993
  353   2HB   LYS  43          2HB       LYS  43  11.131   1.724  -7.043
  354   1HG   LYS  43          1HG       LYS  43  13.155   0.274  -6.980
  355   2HG   LYS  43          2HG       LYS  43  12.326  -0.839  -8.074
  356   1HD   LYS  43          1HD       LYS  43  12.926   2.062  -8.625
  357   2HD   LYS  43          2HD       LYS  43  13.813   0.693  -9.291
  358   1HE   LYS  43          1HE       LYS  43  11.787  -0.041 -10.465
  359   2HE   LYS  43          2HE       LYS  43  10.883   1.278  -9.739
  360   1HZ   LYS  43          1HZ       LYS  43  13.158   1.626 -11.628
  361   2HZ   LYS  43          2HZ       LYS  43  12.247   2.847 -10.894
  362   3HZ   LYS  43          3HZ       LYS  43  11.517   1.816 -11.964
  363    HA   PRO  44           HA       PRO  44   6.628   0.925  -5.004
  364   1HB   PRO  44          1HB       PRO  44   6.263  -0.546  -2.533
  365   2HB   PRO  44          2HB       PRO  44   5.562  -0.881  -4.121
  366   1HG   PRO  44          1HG       PRO  44   7.412  -2.583  -3.068
  367   2HG   PRO  44          2HG       PRO  44   7.319  -2.209  -4.785
  368   1HD   PRO  44          1HD       PRO  44   9.041  -0.859  -2.740
  369   2HD   PRO  44          2HD       PRO  44   9.543  -1.729  -4.218
  370    H    GLY  45           H        GLY  45   5.461   2.300  -3.375
  371   1HA   GLY  45          1HA       GLY  45   6.736   3.139  -1.029
  372   2HA   GLY  45          2HA       GLY  45   7.089   4.255  -2.345
  373    H    GLU  46           H        GLU  46   4.468   2.592  -0.789
  374    HA   GLU  46           HA       GLU  46   2.877   5.013  -1.067
  375   1HB   GLU  46          1HB       GLU  46   1.822   3.485  -2.414
  376   2HB   GLU  46          2HB       GLU  46   2.080   2.132  -1.334
  377   1HG   GLU  46          1HG       GLU  46   0.357   3.068   0.129
  378   2HG   GLU  46          2HG       GLU  46   0.126   4.399  -1.015
  379    H    LYS  47           H        LYS  47   2.307   5.980   0.632
  380    HA   LYS  47           HA       LYS  47   2.365   4.588   3.175
  381   1HB   LYS  47          1HB       LYS  47   4.047   6.641   2.279
  382   2HB   LYS  47          2HB       LYS  47   2.813   7.461   3.217
  383   1HG   LYS  47          1HG       LYS  47   4.495   5.171   4.238
  384   2HG   LYS  47          2HG       LYS  47   4.806   6.878   4.533
  385   1HD   LYS  47          1HD       LYS  47   2.805   7.127   5.771
  386   2HD   LYS  47          2HD       LYS  47   2.231   5.536   5.289
  387   1HE   LYS  47          1HE       LYS  47   4.727   6.015   6.909
  388   2HE   LYS  47          2HE       LYS  47   3.151   5.663   7.614
  389   1HZ   LYS  47          1HZ       LYS  47   3.147   3.544   6.485
  390   2HZ   LYS  47          2HZ       LYS  47   4.521   3.681   7.423
  391   3HZ   LYS  47          3HZ       LYS  47   4.631   3.861   5.759
  392    H    ILE  48           H        ILE  48   0.225   4.397   3.420
  393    HA   ILE  48           HA       ILE  48  -1.287   6.734   2.683
  394    HB   ILE  48           HB       ILE  48  -3.325   5.384   2.591
  395   1HG1  ILE  48          1HG1      ILE  48  -2.450   3.506   4.151
  396   2HG1  ILE  48          2HG1      ILE  48  -3.450   3.022   2.790
  397   1HG2  ILE  48          1HG2      ILE  48  -2.901   4.316   0.471
  398   2HG2  ILE  48          2HG2      ILE  48  -1.201   4.167   0.880
  399   3HG2  ILE  48          3HG2      ILE  48  -1.869   5.762   0.591
  400   1HD1  ILE  48          1HD1      ILE  48  -0.450   2.846   2.964
  401   2HD1  ILE  48          2HD1      ILE  48  -1.430   2.374   1.581
  402   3HD1  ILE  48          3HD1      ILE  48  -1.599   1.513   3.108
  403    H    LEU  49           H        LEU  49  -2.267   7.859   4.057
  404    HA   LEU  49           HA       LEU  49  -3.015   8.777   5.943
  405   1HB   LEU  49          1HB       LEU  49  -3.664   6.114   7.132
  406   2HB   LEU  49          2HB       LEU  49  -4.518   7.620   7.288
  407    HG   LEU  49           HG       LEU  49  -6.021   6.538   6.000
  408   1HD1  LEU  49          1HD1      LEU  49  -5.483   8.360   4.625
  409   2HD1  LEU  49          2HD1      LEU  49  -5.915   6.952   3.665
  410   3HD1  LEU  49          3HD1      LEU  49  -4.230   7.416   3.838
  411   1HD2  LEU  49          1HD2      LEU  49  -4.929   4.412   6.071
  412   2HD2  LEU  49          2HD2      LEU  49  -3.795   4.932   4.824
  413   3HD2  LEU  49          3HD2      LEU  49  -5.503   4.741   4.433
  414    H    GLY  50           H        GLY  50  -0.259   7.523   5.925
  415   1HA   GLY  50          1HA       GLY  50   1.508   7.669   7.499
  416   2HA   GLY  50          2HA       GLY  50   0.315   8.085   8.727
  417    H    ALA  51           H        ALA  51  -1.265   5.639   7.980
  418    HA   ALA  51           HA       ALA  51   0.431   3.447   8.818
  419   1HB   ALA  51          1HB       ALA  51  -1.217   2.793  10.562
  420   2HB   ALA  51          2HB       ALA  51  -2.091   4.298  10.265
  421   3HB   ALA  51          3HB       ALA  51  -0.457   4.344  10.916
  422    H    ARG  52           H        ARG  52  -0.463   1.421   8.113
  423    HA   ARG  52           HA       ARG  52  -2.062   1.669   5.714
  424   1HB   ARG  52          1HB       ARG  52  -1.246  -0.927   7.062
  425   2HB   ARG  52          2HB       ARG  52  -1.680  -0.696   5.385
  426   1HG   ARG  52          1HG       ARG  52   0.807   0.494   6.610
  427   2HG   ARG  52          2HG       ARG  52   0.772  -1.119   5.924
  428   1HD   ARG  52          1HD       ARG  52   0.069   1.384   4.392
  429   2HD   ARG  52          2HD       ARG  52   1.687   0.700   4.436
  430    HE   ARG  52           HE       ARG  52  -0.376  -1.140   3.564
  431   1HH1  ARG  52          1HH1      ARG  52   2.007   1.304   2.357
  432   2HH1  ARG  52          2HH1      ARG  52   2.022   0.612   0.807
  433   1HH2  ARG  52          1HH2      ARG  52  -0.240  -1.955   1.382
  434   2HH2  ARG  52          2HH2      ARG  52   0.809  -1.175   0.241
  435    H    ILE  53           H        ILE  53  -4.253   2.385   6.499
  436    HA   ILE  53           HA       ILE  53  -5.634   0.181   7.823
  437    HB   ILE  53           HB       ILE  53  -6.427   3.101   7.776
  438   1HG1  ILE  53          1HG1      ILE  53  -6.321   2.765  10.397
  439   2HG1  ILE  53          2HG1      ILE  53  -5.206   1.473   9.981
  440   1HG2  ILE  53          1HG2      ILE  53  -7.754   0.736   9.101
  441   2HG2  ILE  53          2HG2      ILE  53  -8.374   1.690   7.753
  442   3HG2  ILE  53          3HG2      ILE  53  -8.247   2.407   9.355
  443   1HD1  ILE  53          1HD1      ILE  53  -3.785   3.078   8.848
  444   2HD1  ILE  53          2HD1      ILE  53  -4.051   3.498  10.542
  445   3HD1  ILE  53          3HD1      ILE  53  -4.910   4.368   9.271
  446    H    ILE  54           H        ILE  54  -7.134  -0.722   6.591
  447    HA   ILE  54           HA       ILE  54  -7.584   0.424   3.958
  448    HB   ILE  54           HB       ILE  54  -8.386  -2.260   5.144
  449   1HG1  ILE  54          1HG1      ILE  54  -6.074  -1.507   3.337
  450   2HG1  ILE  54          2HG1      ILE  54  -5.960  -1.954   5.032
  451   1HG2  ILE  54          1HG2      ILE  54  -8.359  -1.416   2.242
  452   2HG2  ILE  54          2HG2      ILE  54  -9.814  -1.572   3.226
  453   3HG2  ILE  54          3HG2      ILE  54  -8.830  -2.994   2.868
  454   1HD1  ILE  54          1HD1      ILE  54  -6.836  -3.742   2.778
  455   2HD1  ILE  54          2HD1      ILE  54  -6.707  -4.210   4.473
  456   3HD1  ILE  54          3HD1      ILE  54  -5.263  -3.761   3.571
  457    H    GLY  55           H        GLY  55  -9.009   0.167   7.006
  458   1HA   GLY  55          1HA       GLY  55 -10.859   1.407   7.785
  459   2HA   GLY  55          2HA       GLY  55 -11.360   1.655   6.116
  460    H    ILE  56           H        ILE  56 -10.809  -1.239   5.831
  461    HA   ILE  56           HA       ILE  56 -13.331  -2.307   6.859
  462    HB   ILE  56           HB       ILE  56 -11.876  -2.867   4.250
  463   1HG1  ILE  56          1HG1      ILE  56 -14.569  -1.558   4.714
  464   2HG1  ILE  56          2HG1      ILE  56 -13.082  -0.685   4.387
  465   1HG2  ILE  56          1HG2      ILE  56 -13.808  -4.291   3.682
  466   2HG2  ILE  56          2HG2      ILE  56 -14.461  -4.026   5.300
  467   3HG2  ILE  56          3HG2      ILE  56 -12.939  -4.891   5.095
  468   1HD1  ILE  56          1HD1      ILE  56 -14.479  -0.878   2.422
  469   2HD1  ILE  56          2HD1      ILE  56 -14.420  -2.641   2.540
  470   3HD1  ILE  56          3HD1      ILE  56 -12.949  -1.726   2.200
  471    HA   PRO  57           HA       PRO  57 -10.103  -4.569   9.143
  472   1HB   PRO  57          1HB       PRO  57 -12.536  -6.092   9.926
  473   2HB   PRO  57          2HB       PRO  57 -11.255  -5.420  10.941
  474   1HG   PRO  57          1HG       PRO  57 -13.623  -4.237  10.807
  475   2HG   PRO  57          2HG       PRO  57 -12.137  -3.275  10.860
  476   1HD   PRO  57          1HD       PRO  57 -13.921  -3.877   8.550
  477   2HD   PRO  57          2HD       PRO  57 -13.029  -2.391   8.941
  478    HA   PRO  58           HA       PRO  58 -10.243  -8.024   6.246
  479   1HB   PRO  58          1HB       PRO  58  -7.607  -8.028   5.727
  480   2HB   PRO  58          2HB       PRO  58  -8.726  -6.910   4.952
  481   1HG   PRO  58          1HG       PRO  58  -6.634  -6.349   6.916
  482   2HG   PRO  58          2HG       PRO  58  -7.563  -5.221   5.920
  483   1HD   PRO  58          1HD       PRO  58  -7.967  -5.978   8.696
  484   2HD   PRO  58          2HD       PRO  58  -8.704  -4.649   7.762
  485    H    VAL  59           H        VAL  59  -8.967 -10.039   6.165
  486    HA   VAL  59           HA       VAL  59  -8.418 -11.088   8.803
  487    HB   VAL  59           HB       VAL  59  -8.020 -12.418   6.099
  488   1HG1  VAL  59          1HG1      VAL  59  -8.369 -13.605   8.843
  489   2HG1  VAL  59          2HG1      VAL  59  -6.879 -13.550   7.903
  490   3HG1  VAL  59          3HG1      VAL  59  -8.239 -14.519   7.341
  491   1HG2  VAL  59          1HG2      VAL  59 -10.225 -13.446   6.413
  492   2HG2  VAL  59          2HG2      VAL  59 -10.327 -11.689   6.280
  493   3HG2  VAL  59          3HG2      VAL  59 -10.469 -12.462   7.858
  494    HA   PRO  60           HA       PRO  60  -4.204  -9.808   7.741
  495   1HB   PRO  60          1HB       PRO  60  -3.436  -9.428  10.399
  496   2HB   PRO  60          2HB       PRO  60  -4.114  -8.203   9.330
  497   1HG   PRO  60          1HG       PRO  60  -5.348  -9.275  11.643
  498   2HG   PRO  60          2HG       PRO  60  -6.106  -8.246  10.421
  499   1HD   PRO  60          1HD       PRO  60  -6.203 -11.214  10.720
  500   2HD   PRO  60          2HD       PRO  60  -7.435 -10.080  10.113
  501    H    ILE  61           H        ILE  61  -3.297 -11.667   6.993
  502    HA   ILE  61           HA       ILE  61  -1.808 -13.238   8.981
  503    HB   ILE  61           HB       ILE  61  -3.014 -14.437   6.456
  504   1HG1  ILE  61          1HG1      ILE  61  -3.994 -14.846   9.292
  505   2HG1  ILE  61          2HG1      ILE  61  -4.777 -13.790   8.124
  506   1HG2  ILE  61          1HG2      ILE  61  -1.703 -15.717   8.863
  507   2HG2  ILE  61          2HG2      ILE  61  -0.993 -15.544   7.258
  508   3HG2  ILE  61          3HG2      ILE  61  -2.396 -16.585   7.492
  509   1HD1  ILE  61          1HD1      ILE  61  -4.421 -16.767   7.866
  510   2HD1  ILE  61          2HD1      ILE  61  -5.190 -15.718   6.676
  511   3HD1  ILE  61          3HD1      ILE  61  -5.918 -15.924   8.266
  512    H    GLY  62           H        GLY  62   0.038 -11.915   8.422
  513   1HA   GLY  62          1HA       GLY  62   0.947 -12.484   5.710
  514   2HA   GLY  62          2HA       GLY  62   0.913 -10.819   6.279
  515    H    ILE  63           H        ILE  63   3.132 -12.360   5.262
  516    HA   ILE  63           HA       ILE  63   4.844 -12.722   7.591
  517    HB   ILE  63           HB       ILE  63   5.321 -13.434   4.676
  518   1HG1  ILE  63          1HG1      ILE  63   4.511 -15.268   6.951
  519   2HG1  ILE  63          2HG1      ILE  63   3.421 -14.694   5.697
  520   1HG2  ILE  63          1HG2      ILE  63   7.151 -14.826   5.560
  521   2HG2  ILE  63          2HG2      ILE  63   6.799 -14.245   7.187
  522   3HG2  ILE  63          3HG2      ILE  63   7.380 -13.122   5.960
  523   1HD1  ILE  63          1HD1      ILE  63   4.191 -16.968   5.266
  524   2HD1  ILE  63          2HD1      ILE  63   5.863 -16.396   5.249
  525   3HD1  ILE  63          3HD1      ILE  63   4.733 -15.854   4.010
  526    H    ASP  64           H        ASP  64   5.680 -10.782   8.094
  527    HA   ASP  64           HA       ASP  64   6.450  -8.917   5.989
  528   1HB   ASP  64          1HB       ASP  64   6.041  -8.621   8.947
  529   2HB   ASP  64          2HB       ASP  64   7.070  -7.477   8.105
  530    H    GLU  65           H        GLU  65   8.355  -9.628   5.100
  531    HA   GLU  65           HA       GLU  65  10.447 -10.624   6.746
  532   1HB   GLU  65          1HB       GLU  65  10.284  -9.818   3.844
  533   2HB   GLU  65          2HB       GLU  65  11.739 -10.466   4.587
  534   1HG   GLU  65          1HG       GLU  65   9.094 -11.888   4.456
  535   2HG   GLU  65          2HG       GLU  65  10.447 -12.152   3.352
  536    H    GLU  66           H        GLU  66  10.370  -7.895   4.531
  537    HA   GLU  66           HA       GLU  66  11.396  -6.023   6.388
  538   1HB   GLU  66          1HB       GLU  66  13.389  -7.539   5.675
  539   2HB   GLU  66          2HB       GLU  66  13.168  -6.833   4.079
  540   1HG   GLU  66          1HG       GLU  66  13.693  -4.643   4.958
  541   2HG   GLU  66          2HG       GLU  66  13.851  -5.321   6.580
  542    H    ARG  67           H        ARG  67  11.724  -3.990   5.010
  543    HA   ARG  67           HA       ARG  67   9.521  -3.849   3.128
  544   1HB   ARG  67          1HB       ARG  67  10.709  -2.045   4.844
  545   2HB   ARG  67          2HB       ARG  67  11.288  -1.522   3.269
  546   1HG   ARG  67          1HG       ARG  67   8.408  -1.874   4.061
  547   2HG   ARG  67          2HG       ARG  67   9.292  -0.360   3.913
  548   1HD   ARG  67          1HD       ARG  67   9.498  -0.595   1.584
  549   2HD   ARG  67          2HD       ARG  67   8.920  -2.260   1.630
  550    HE   ARG  67           HE       ARG  67   6.884  -0.910   2.746
  551   1HH1  ARG  67          1HH1      ARG  67   8.565  -0.235  -0.258
  552   2HH1  ARG  67          2HH1      ARG  67   7.175   0.253  -1.106
  553   1HH2  ARG  67          1HH2      ARG  67   4.986  -0.312   1.648
  554   2HH2  ARG  67          2HH2      ARG  67   4.933   0.093   0.009
  555    H    SER  68           H        SER  68  12.962  -3.873   3.144
  556    HA   SER  68           HA       SER  68  13.150  -3.411   0.363
  557   1HB   SER  68          1HB       SER  68  15.651  -3.902   1.265
  558   2HB   SER  68          2HB       SER  68  14.853  -2.318   1.346
  559    HG   SER  68           HG       SER  68  15.329  -4.193   3.374
  560    H    THR  69           H        THR  69  11.865  -5.697   1.317
  561    HA   THR  69           HA       THR  69  13.142  -7.817  -0.152
  562    HB   THR  69           HB       THR  69  12.315  -8.176   2.770
  563    HG1  THR  69           HG1      THR  69  14.688  -7.519   1.604
  564   1HG2  THR  69          1HG2      THR  69  13.691 -10.122   0.895
  565   2HG2  THR  69          2HG2      THR  69  11.994 -10.192   1.362
  566   3HG2  THR  69          3HG2      THR  69  13.244 -10.446   2.570
  567    H    VAL  70           H        VAL  70  11.304  -9.615  -0.257
  568    HA   VAL  70           HA       VAL  70   8.890  -8.171  -0.767
  569    HB   VAL  70           HB       VAL  70   7.971 -10.340  -1.588
  570   1HG1  VAL  70          1HG1      VAL  70   9.425 -10.557  -3.568
  571   2HG1  VAL  70          2HG1      VAL  70  10.565  -9.447  -2.799
  572   3HG1  VAL  70          3HG1      VAL  70   8.924  -8.919  -3.186
  573   1HG2  VAL  70          1HG2      VAL  70   9.481 -12.261  -1.951
  574   2HG2  VAL  70          2HG2      VAL  70   9.227 -11.930  -0.240
  575   3HG2  VAL  70          3HG2      VAL  70  10.733 -11.449  -1.008
  576    H    MET  71           H        MET  71   7.795  -7.597   0.908
  577    HA   MET  71           HA       MET  71   7.448  -9.550   3.017
  578   1HB   MET  71          1HB       MET  71   6.182  -7.898   4.273
  579   2HB   MET  71          2HB       MET  71   7.552  -7.045   3.594
  580   1HG   MET  71          1HG       MET  71   6.103  -6.093   1.891
  581   2HG   MET  71          2HG       MET  71   4.730  -6.990   2.537
  582   1HE   MET  71          1HE       MET  71   3.162  -4.985   2.978
  583   2HE   MET  71          2HE       MET  71   4.317  -3.921   2.171
  584   3HE   MET  71          3HE       MET  71   3.656  -3.477   3.739
  585    H    ILE  72           H        ILE  72   5.946 -11.046   2.887
  586    HA   ILE  72           HA       ILE  72   3.947 -10.675   0.776
  587    HB   ILE  72           HB       ILE  72   4.962 -13.326   1.864
  588   1HG1  ILE  72          1HG1      ILE  72   5.648 -11.951  -0.752
  589   2HG1  ILE  72          2HG1      ILE  72   6.727 -12.082   0.629
  590   1HG2  ILE  72          1HG2      ILE  72   2.687 -13.418   0.948
  591   2HG2  ILE  72          2HG2      ILE  72   3.815 -14.277  -0.102
  592   3HG2  ILE  72          3HG2      ILE  72   3.249 -12.668  -0.546
  593   1HD1  ILE  72          1HD1      ILE  72   6.729 -14.518   0.376
  594   2HD1  ILE  72          2HD1      ILE  72   7.276 -13.704  -1.088
  595   3HD1  ILE  72          3HD1      ILE  72   5.644 -14.369  -1.008
  596    HA   PRO  73           HA       PRO  73   1.465 -11.125   4.450
  597   1HB   PRO  73          1HB       PRO  73   0.011  -8.784   4.048
  598   2HB   PRO  73          2HB       PRO  73   1.450  -8.932   5.061
  599   1HG   PRO  73          1HG       PRO  73   1.214  -7.457   2.644
  600   2HG   PRO  73          2HG       PRO  73   2.691  -7.765   3.567
  601   1HD   PRO  73          1HD       PRO  73   1.624  -9.180   1.173
  602   2HD   PRO  73          2HD       PRO  73   3.308  -8.907   1.677
  603    H    TYR  74           H        TYR  74  -0.916 -11.333   4.641
  604    HA   TYR  74           HA       TYR  74  -2.306 -11.335   2.138
  605   1HB   TYR  74          1HB       TYR  74  -1.536 -13.665   2.540
  606   2HB   TYR  74          2HB       TYR  74  -2.370 -13.632   4.095
  607    HD1  TYR  74           HD1      TYR  74  -2.990 -13.178   0.461
  608    HD2  TYR  74           HD2      TYR  74  -4.567 -14.400   4.212
  609    HE1  TYR  74           HE1      TYR  74  -5.019 -13.960  -0.659
  610    HE2  TYR  74           HE2      TYR  74  -6.607 -15.184   3.105
  611    HH   TYR  74           HH       TYR  74  -7.827 -14.953   1.109
  612    H    THR  75           H        THR  75  -3.873  -9.989   2.494
  613    HA   THR  75           HA       THR  75  -5.206 -10.206   5.037
  614    HB   THR  75           HB       THR  75  -5.682  -7.750   4.877
  615    HG1  THR  75           HG1      THR  75  -4.343  -8.054   2.499
  616   1HG2  THR  75          1HG2      THR  75  -2.752  -8.478   5.015
  617   2HG2  THR  75          2HG2      THR  75  -3.896  -8.457   6.360
  618   3HG2  THR  75          3HG2      THR  75  -3.436  -6.953   5.570
  619    H    LYS  76           H        LYS  76  -7.461 -10.231   4.762
  620    HA   LYS  76           HA       LYS  76  -8.270 -10.016   1.956
  621   1HB   LYS  76          1HB       LYS  76  -8.545 -12.301   2.837
  622   2HB   LYS  76          2HB       LYS  76  -9.657 -11.687   4.058
  623   1HG   LYS  76          1HG       LYS  76 -11.217 -10.992   2.356
  624   2HG   LYS  76          2HG       LYS  76 -10.055 -11.440   1.106
  625   1HD   LYS  76          1HD       LYS  76 -10.225 -13.760   1.738
  626   2HD   LYS  76          2HD       LYS  76 -11.357 -13.347   3.034
  627   1HE   LYS  76          1HE       LYS  76 -12.511 -14.174   1.031
  628   2HE   LYS  76          2HE       LYS  76 -12.945 -12.506   1.405
  629   1HZ   LYS  76          1HZ       LYS  76 -11.372 -11.786  -0.315
  630   2HZ   LYS  76          2HZ       LYS  76 -12.564 -12.753  -0.963
  631   3HZ   LYS  76          3HZ       LYS  76 -11.022 -13.379  -0.697
  632    HA   PRO  77           HA       PRO  77 -10.887  -6.743   3.627
  633   1HB   PRO  77          1HB       PRO  77  -9.769  -4.737   2.224
  634   2HB   PRO  77          2HB       PRO  77  -9.005  -5.351   3.689
  635   1HG   PRO  77          1HG       PRO  77  -8.112  -5.581   0.920
  636   2HG   PRO  77          2HG       PRO  77  -7.228  -5.963   2.404
  637   1HD   PRO  77          1HD       PRO  77  -8.708  -7.755   0.603
  638   2HD   PRO  77          2HD       PRO  77  -7.492  -8.143   1.842
  639    H    CYS  78           H        CYS  78 -11.446  -4.676   1.702
  640    HA   CYS  78           HA       CYS  78 -12.892  -6.187  -0.328
  641   1HB   CYS  78          1HB       CYS  78 -14.114  -4.595   1.190
  642   2HB   CYS  78          2HB       CYS  78 -13.172  -3.283   0.507
  643    HG   CYS  78           HG       CYS  78 -14.537  -4.761  -2.024
  644    H    TYR  79           H        TYR  79  -9.936  -5.241  -0.187
  645    HA   TYR  79           HA       TYR  79  -9.868  -4.031  -2.862
  646   1HB   TYR  79          1HB       TYR  79  -9.221  -2.343  -1.120
  647   2HB   TYR  79          2HB       TYR  79  -7.883  -3.382  -0.653
  648    HD1  TYR  79           HD1      TYR  79  -5.926  -3.654  -2.211
  649    HD2  TYR  79           HD2      TYR  79  -9.130  -1.017  -3.092
  650    HE1  TYR  79           HE1      TYR  79  -4.552  -2.545  -3.928
  651    HE2  TYR  79           HE2      TYR  79  -7.779   0.081  -4.796
  652    HH   TYR  79           HH       TYR  79  -4.991  -1.212  -6.018
  653    H    GLY  80           H        GLY  80  -7.179  -5.112  -0.753
  654   1HA   GLY  80          1HA       GLY  80  -6.706  -7.615  -1.628
  655   2HA   GLY  80          2HA       GLY  80  -5.993  -6.568  -2.858
  656    H    THR  81           H        THR  81  -4.048  -7.769  -1.868
  657    HA   THR  81           HA       THR  81  -3.018  -6.259   0.444
  658    HB   THR  81           HB       THR  81  -2.173  -9.037  -0.396
  659    HG1  THR  81           HG1      THR  81  -4.481  -8.650   0.319
  660   1HG2  THR  81          1HG2      THR  81  -0.618  -7.806   1.056
  661   2HG2  THR  81          2HG2      THR  81  -1.345  -9.165   1.914
  662   3HG2  THR  81          3HG2      THR  81  -1.921  -7.525   2.210
  663    H    ALA  82           H        ALA  82  -0.634  -5.927   0.399
  664    HA   ALA  82           HA       ALA  82   0.392  -5.589  -2.336
  665   1HB   ALA  82          1HB       ALA  82   1.615  -3.708  -1.488
  666   2HB   ALA  82          2HB       ALA  82   1.035  -4.030   0.140
  667   3HB   ALA  82          3HB       ALA  82  -0.095  -3.508  -1.101
  668    H    VAL  83           H        VAL  83   2.144  -6.769  -2.800
  669    HA   VAL  83           HA       VAL  83   3.895  -7.614  -0.601
  670    HB   VAL  83           HB       VAL  83   3.780  -8.684  -3.458
  671   1HG1  VAL  83          1HG1      VAL  83   5.167  -9.757  -1.011
  672   2HG1  VAL  83          2HG1      VAL  83   5.934  -8.957  -2.378
  673   3HG1  VAL  83          3HG1      VAL  83   5.152 -10.521  -2.600
  674   1HG2  VAL  83          1HG2      VAL  83   2.695 -10.705  -2.567
  675   2HG2  VAL  83          2HG2      VAL  83   1.694  -9.273  -2.332
  676   3HG2  VAL  83          3HG2      VAL  83   2.599  -9.945  -0.977
  677    H    VAL  84           H        VAL  84   5.412  -6.157  -0.440
  678    HA   VAL  84           HA       VAL  84   6.206  -4.726  -2.888
  679    HB   VAL  84           HB       VAL  84   6.655  -2.758  -1.457
  680   1HG1  VAL  84          1HG1      VAL  84   4.467  -2.988  -2.417
  681   2HG1  VAL  84          2HG1      VAL  84   4.403  -2.216  -0.832
  682   3HG1  VAL  84          3HG1      VAL  84   3.938  -3.910  -1.011
  683   1HG2  VAL  84          1HG2      VAL  84   6.037  -2.779   0.900
  684   2HG2  VAL  84          2HG2      VAL  84   7.300  -3.973   0.586
  685   3HG2  VAL  84          3HG2      VAL  84   5.623  -4.490   0.771
  686    H    GLU  85           H        GLU  85   8.341  -4.555  -3.381
  687    HA   GLU  85           HA       GLU  85  10.283  -5.430  -1.386
  688   1HB   GLU  85          1HB       GLU  85   9.989  -7.259  -3.018
  689   2HB   GLU  85          2HB       GLU  85  10.349  -6.143  -4.334
  690   1HG   GLU  85          1HG       GLU  85  12.580  -5.746  -3.268
  691   2HG   GLU  85          2HG       GLU  85  12.193  -7.038  -2.136
  692    H    LEU  86           H        LEU  86  11.338  -3.609  -0.977
  693    HA   LEU  86           HA       LEU  86  11.731  -1.684  -3.125
  694   1HB   LEU  86          1HB       LEU  86  10.863  -1.010  -0.880
  695   2HB   LEU  86          2HB       LEU  86  12.393  -1.490  -0.181
  696    HG   LEU  86           HG       LEU  86  13.465   0.240  -1.680
  697   1HD1  LEU  86          1HD1      LEU  86  10.627   1.139  -2.020
  698   2HD1  LEU  86          2HD1      LEU  86  11.699   0.514  -3.269
  699   3HD1  LEU  86          3HD1      LEU  86  12.066   2.050  -2.485
  700   1HD2  LEU  86          1HD2      LEU  86  11.516   1.155   0.434
  701   2HD2  LEU  86          2HD2      LEU  86  12.873   2.097  -0.178
  702   3HD2  LEU  86          3HD2      LEU  86  13.169   0.602   0.710
  703    HA   PRO  87           HA       PRO  87  16.016  -3.254  -3.275
  704   1HB   PRO  87          1HB       PRO  87  16.844  -1.955  -5.454
  705   2HB   PRO  87          2HB       PRO  87  15.638  -3.242  -5.587
  706   1HG   PRO  87          1HG       PRO  87  15.260  -0.282  -5.632
  707   2HG   PRO  87          2HG       PRO  87  14.459  -1.531  -6.601
  708   1HD   PRO  87          1HD       PRO  87  13.398  -0.326  -4.324
  709   2HD   PRO  87          2HD       PRO  87  12.855  -1.868  -5.013
  710    H    VAL  88           H        VAL  88  14.969  -0.603  -2.063
  711    HA   VAL  88           HA       VAL  88  17.550   0.768  -1.778
  712    HB   VAL  88           HB       VAL  88  14.803   1.970  -1.264
  713   1HG1  VAL  88          1HG1      VAL  88  15.941   4.132  -1.376
  714   2HG1  VAL  88          2HG1      VAL  88  17.479   3.302  -1.611
  715   3HG1  VAL  88          3HG1      VAL  88  16.590   3.099  -0.103
  716   1HG2  VAL  88          1HG2      VAL  88  14.910   1.422  -3.635
  717   2HG2  VAL  88          2HG2      VAL  88  16.448   2.270  -3.782
  718   3HG2  VAL  88          3HG2      VAL  88  14.977   3.168  -3.404
  719    H    ASP  89           H        ASP  89  17.835   1.550   0.450
  720    HA   ASP  89           HA       ASP  89  17.253  -0.417   2.393
  721   1HB   ASP  89          1HB       ASP  89  19.250   0.979   2.439
  722   2HB   ASP  89          2HB       ASP  89  18.285   2.421   2.682
  723    HA   PRO  90           HA       PRO  90  13.191   0.674   3.879
  724   1HB   PRO  90          1HB       PRO  90  13.635   0.351   6.619
  725   2HB   PRO  90          2HB       PRO  90  13.151  -0.919   5.494
  726   1HG   PRO  90          1HG       PRO  90  15.873  -0.219   6.507
  727   2HG   PRO  90          2HG       PRO  90  15.166  -1.817   6.205
  728   1HD   PRO  90          1HD       PRO  90  16.910  -0.756   4.502
  729   2HD   PRO  90          2HD       PRO  90  15.506  -1.665   3.904
  730    H    GLU  91           H        GLU  91  16.008   2.432   4.911
  731    HA   GLU  91           HA       GLU  91  14.875   4.420   6.541
  732   1HB   GLU  91          1HB       GLU  91  16.785   5.821   5.873
  733   2HB   GLU  91          2HB       GLU  91  17.298   4.187   6.273
  734   1HG   GLU  91          1HG       GLU  91  17.436   3.625   3.942
  735   2HG   GLU  91          2HG       GLU  91  16.844   5.211   3.479
  736    H    GLU  92           H        GLU  92  14.585   3.832   3.169
  737    HA   GLU  92           HA       GLU  92  13.918   6.424   2.267
  738   1HB   GLU  92          1HB       GLU  92  14.382   4.276   0.881
  739   2HB   GLU  92          2HB       GLU  92  12.689   3.903   1.191
  740   1HG   GLU  92          1HG       GLU  92  12.908   4.932  -0.975
  741   2HG   GLU  92          2HG       GLU  92  12.039   6.011   0.117
  742    H    ILE  93           H        ILE  93  12.220   3.946   3.963
  743    HA   ILE  93           HA       ILE  93   9.586   4.904   3.582
  744    HB   ILE  93           HB       ILE  93  10.744   3.114   5.711
  745   1HG1  ILE  93          1HG1      ILE  93  10.996   2.179   3.494
  746   2HG1  ILE  93          2HG1      ILE  93   9.768   1.318   4.416
  747   1HG2  ILE  93          1HG2      ILE  93   8.450   2.386   6.162
  748   2HG2  ILE  93          2HG2      ILE  93   7.845   3.572   5.007
  749   3HG2  ILE  93          3HG2      ILE  93   8.645   4.110   6.481
  750   1HD1  ILE  93          1HD1      ILE  93   8.013   2.500   3.164
  751   2HD1  ILE  93          2HD1      ILE  93   9.084   1.604   2.092
  752   3HD1  ILE  93          3HD1      ILE  93   9.250   3.350   2.234
  753    H    GLU  94           H        GLU  94  12.183   5.567   5.831
  754    HA   GLU  94           HA       GLU  94  10.677   6.859   7.844
  755   1HB   GLU  94          1HB       GLU  94  13.020   6.099   8.124
  756   2HB   GLU  94          2HB       GLU  94  13.540   7.346   7.001
  757   1HG   GLU  94          1HG       GLU  94  12.728   9.057   8.561
  758   2HG   GLU  94          2HG       GLU  94  12.269   7.782   9.692
  759    H    ARG  95           H        ARG  95  12.205   7.963   4.904
  760    HA   ARG  95           HA       ARG  95  11.681  10.749   5.063
  761   1HB   ARG  95          1HB       ARG  95  13.214   9.688   3.400
  762   2HB   ARG  95          2HB       ARG  95  11.820   8.960   2.615
  763   1HG   ARG  95          1HG       ARG  95  11.022  11.471   2.483
  764   2HG   ARG  95          2HG       ARG  95  12.754  11.781   2.597
  765   1HD   ARG  95          1HD       ARG  95  11.351  10.066   0.559
  766   2HD   ARG  95          2HD       ARG  95  12.040  11.649   0.252
  767    HE   ARG  95           HE       ARG  95  13.507   9.133   0.714
  768   1HH1  ARG  95          1HH1      ARG  95  13.679  12.562  -0.233
  769   2HH1  ARG  95          2HH1      ARG  95  15.146  12.357  -1.066
  770   1HH2  ARG  95          1HH2      ARG  95  15.418   8.896  -0.413
  771   2HH2  ARG  95          2HH2      ARG  95  16.181  10.243  -1.181
  772    H    ILE  96           H        ILE  96  10.025   8.041   3.580
  773    HA   ILE  96           HA       ILE  96   7.810   9.499   2.592
  774    HB   ILE  96           HB       ILE  96   8.335   6.521   2.918
  775   1HG1  ILE  96          1HG1      ILE  96   8.475   8.299   0.478
  776   2HG1  ILE  96          2HG1      ILE  96   9.853   7.727   1.408
  777   1HG2  ILE  96          1HG2      ILE  96   5.932   6.930   2.796
  778   2HG2  ILE  96          2HG2      ILE  96   6.502   6.171   1.304
  779   3HG2  ILE  96          3HG2      ILE  96   6.147   7.902   1.341
  780   1HD1  ILE  96          1HD1      ILE  96   9.303   5.423   0.795
  781   2HD1  ILE  96          2HD1      ILE  96   9.554   6.434  -0.627
  782   3HD1  ILE  96          3HD1      ILE  96   7.917   6.004  -0.128
  783    H    LEU  97           H        LEU  97   8.544   8.179   5.630
  784    HA   LEU  97           HA       LEU  97   5.890   7.986   6.695
  785   1HB   LEU  97          1HB       LEU  97   7.724   6.682   7.641
  786   2HB   LEU  97          2HB       LEU  97   8.604   8.143   8.015
  787    HG   LEU  97           HG       LEU  97   6.851   8.729   9.678
  788   1HD1  LEU  97          1HD1      LEU  97   5.794   5.975   9.083
  789   2HD1  LEU  97          2HD1      LEU  97   4.975   7.503   8.758
  790   3HD1  LEU  97          3HD1      LEU  97   5.285   7.006  10.419
  791   1HD2  LEU  97          1HD2      LEU  97   8.905   7.640  10.372
  792   2HD2  LEU  97          2HD2      LEU  97   8.189   6.057  10.061
  793   3HD2  LEU  97          3HD2      LEU  97   7.546   7.078  11.348
  794    H    GLU  98           H        GLU  98   8.279  10.464   6.314
  795    HA   GLU  98           HA       GLU  98   7.039  12.367   8.128
  796   1HB   GLU  98          1HB       GLU  98   9.507  12.270   7.300
  797   2HB   GLU  98          2HB       GLU  98   8.829  12.903   5.816
  798   1HG   GLU  98          1HG       GLU  98   8.143  14.928   6.813
  799   2HG   GLU  98          2HG       GLU  98   8.464  14.315   8.434
  800    H    VAL  99           H        VAL  99   7.040  11.597   4.807
  801    HA   VAL  99           HA       VAL  99   5.251  13.613   3.920
  802    HB   VAL  99           HB       VAL  99   5.892  10.832   3.012
  803   1HG1  VAL  99          1HG1      VAL  99   3.646  11.526   2.132
  804   2HG1  VAL  99          2HG1      VAL  99   4.810  11.490   0.805
  805   3HG1  VAL  99          3HG1      VAL  99   4.346  13.029   1.530
  806   1HG2  VAL  99          1HG2      VAL  99   7.772  12.297   2.829
  807   2HG2  VAL  99          2HG2      VAL  99   6.817  13.490   1.949
  808   3HG2  VAL  99          3HG2      VAL  99   7.180  11.932   1.210
  809    H    ALA 100           H        ALA 100   4.688  10.258   4.476
  810    HA   ALA 100           HA       ALA 100   3.140   9.072   5.256
  811   1HB   ALA 100          1HB       ALA 100   2.413  11.367   7.044
  812   2HB   ALA 100          2HB       ALA 100   3.651  10.150   7.359
  813   3HB   ALA 100          3HB       ALA 100   1.949   9.689   7.305
  814    H    GLU 101           H        GLU 101   1.747  12.178   4.974
  815    HA   GLU 101           HA       GLU 101  -0.492  11.089   3.442
  816   1HB   GLU 101          1HB       GLU 101  -0.715  12.762   5.884
  817   2HB   GLU 101          2HB       GLU 101  -1.949  12.978   4.663
  818   1HG   GLU 101          1HG       GLU 101  -2.389  10.538   4.870
  819   2HG   GLU 101          2HG       GLU 101  -1.207  10.493   6.182
  820    HA   PRO 102           HA       PRO 102  -0.053  15.206   1.518
  821   1HB   PRO 102          1HB       PRO 102   0.792  17.433   2.740
  822   2HB   PRO 102          2HB       PRO 102  -0.837  16.774   2.975
  823   1HG   PRO 102          1HG       PRO 102   1.462  16.795   4.823
  824   2HG   PRO 102          2HG       PRO 102  -0.268  16.700   5.177
  825   1HD   PRO 102          1HD       PRO 102   1.615  14.534   5.074
  826   2HD   PRO 102          2HD       PRO 102  -0.131  14.485   5.373
  Start of MODEL    5
    1    H    HIS   1           H        HIS   1   3.737   6.280 -12.933
    2    HA   HIS   1           HA       HIS   1   1.166   6.300 -11.529
    3   1HB   HIS   1          1HB       HIS   1   3.104   4.009 -11.982
    4   2HB   HIS   1          2HB       HIS   1   1.700   3.957 -10.924
    5    HD1  HIS   1           HD1      HIS   1   2.715   3.329 -14.389
    6    HD2  HIS   1           HD2      HIS   1  -0.795   4.233 -12.344
    7    HE1  HIS   1           HE1      HIS   1   0.832   2.867 -15.979
    8    H    MET   2           H        MET   2   1.678   7.756 -10.040
    9    HA   MET   2           HA       MET   2   3.466   6.923  -7.956
   10   1HB   MET   2          1HB       MET   2   3.726   9.616  -9.323
   11   2HB   MET   2          2HB       MET   2   4.450   9.210  -7.778
   12   1HG   MET   2          1HG       MET   2   5.854   7.539  -8.878
   13   2HG   MET   2          2HG       MET   2   5.114   7.939 -10.424
   14   1HE   MET   2          1HE       MET   2   6.321  11.656 -10.931
   15   2HE   MET   2          2HE       MET   2   4.847  11.171 -10.105
   16   3HE   MET   2          3HE       MET   2   5.341  10.345 -11.586
   17    H    THR   3           H        THR   3   2.433   7.313  -6.115
   18    HA   THR   3           HA       THR   3   0.092   9.087  -6.174
   19    HB   THR   3           HB       THR   3   0.777   6.739  -4.387
   20    HG1  THR   3           HG1      THR   3  -1.132   5.889  -5.346
   21   1HG2  THR   3          1HG2      THR   3  -0.418   8.452  -3.080
   22   2HG2  THR   3          2HG2      THR   3  -1.430   7.034  -3.349
   23   3HG2  THR   3          3HG2      THR   3  -1.693   8.495  -4.298
   24    H    PHE   4           H        PHE   4   0.585  11.082  -5.375
   25    HA   PHE   4           HA       PHE   4   2.085  11.071  -2.888
   26   1HB   PHE   4          1HB       PHE   4   2.342  13.166  -5.063
   27   2HB   PHE   4          2HB       PHE   4   3.111  13.262  -3.484
   28    HD1  PHE   4           HD1      PHE   4   3.529  12.320  -6.798
   29    HD2  PHE   4           HD2      PHE   4   4.542  11.165  -2.848
   30    HE1  PHE   4           HE1      PHE   4   5.410  11.018  -7.661
   31    HE2  PHE   4           HE2      PHE   4   6.428   9.854  -3.713
   32    HZ   PHE   4           HZ       PHE   4   6.846   9.769  -6.114
   33    H    CYS   5           H        CYS   5  -0.820  11.431  -3.948
   34    HA   CYS   5           HA       CYS   5  -1.472  13.568  -2.058
   35   1HB   CYS   5          1HB       CYS   5  -2.842  13.048  -4.717
   36   2HB   CYS   5          2HB       CYS   5  -3.308  14.271  -3.548
   37    HG   CYS   5           HG       CYS   5  -0.398  15.182  -3.928
   38    H    LEU   6           H        LEU   6  -2.403  12.452  -0.383
   39    HA   LEU   6           HA       LEU   6  -3.534   9.939  -0.986
   40   1HB   LEU   6          1HB       LEU   6  -3.595   9.374   1.320
   41   2HB   LEU   6          2HB       LEU   6  -2.126  10.250   1.051
   42    HG   LEU   6           HG       LEU   6  -2.824  10.799   3.138
   43   1HD1  LEU   6          1HD1      LEU   6  -2.121  12.771   1.984
   44   2HD1  LEU   6          2HD1      LEU   6  -3.306  13.146   3.226
   45   3HD1  LEU   6          3HD1      LEU   6  -3.791  13.130   1.530
   46   1HD2  LEU   6          1HD2      LEU   6  -5.057   9.949   3.191
   47   2HD2  LEU   6          2HD2      LEU   6  -5.631  11.247   2.146
   48   3HD2  LEU   6          3HD2      LEU   6  -5.096  11.611   3.784
   49    H    GLU   7           H        GLU   7  -4.627  13.068  -0.011
   50    HA   GLU   7           HA       GLU   7  -7.301  12.385   0.640
   51   1HB   GLU   7          1HB       GLU   7  -6.511  14.221   1.752
   52   2HB   GLU   7          2HB       GLU   7  -5.690  14.910   0.394
   53   1HG   GLU   7          1HG       GLU   7  -7.473  16.367   0.924
   54   2HG   GLU   7          2HG       GLU   7  -8.012  15.455  -0.489
   55    H    THR   8           H        THR   8  -5.632  12.929  -2.281
   56    HA   THR   8           HA       THR   8  -7.895  13.692  -3.774
   57    HB   THR   8           HB       THR   8  -5.342  12.394  -4.727
   58    HG1  THR   8           HG1      THR   8  -5.946  15.135  -4.823
   59   1HG2  THR   8          1HG2      THR   8  -7.160  12.419  -6.409
   60   2HG2  THR   8          2HG2      THR   8  -5.845  13.502  -6.863
   61   3HG2  THR   8          3HG2      THR   8  -7.331  14.161  -6.181
   62    H    TYR   9           H        TYR   9  -6.452  10.657  -2.726
   63    HA   TYR   9           HA       TYR   9  -8.013   9.048  -4.441
   64   1HB   TYR   9          1HB       TYR   9  -6.220   8.503  -2.131
   65   2HB   TYR   9          2HB       TYR   9  -7.405   7.267  -2.532
   66    HD1  TYR   9           HD1      TYR   9  -4.632   9.289  -3.962
   67    HD2  TYR   9           HD2      TYR   9  -7.049   5.810  -4.330
   68    HE1  TYR   9           HE1      TYR   9  -3.210   8.485  -5.806
   69    HE2  TYR   9           HE2      TYR   9  -5.624   5.004  -6.158
   70    HH   TYR   9           HH       TYR   9  -2.629   6.345  -6.852
   71    H    LEU  10           H        LEU  10  -8.408  10.477  -1.371
   72    HA   LEU  10           HA       LEU  10 -10.641   9.101  -0.405
   73   1HB   LEU  10          1HB       LEU  10  -9.148  11.031   0.728
   74   2HB   LEU  10          2HB       LEU  10 -10.198  12.056  -0.148
   75    HG   LEU  10           HG       LEU  10 -11.426  10.144   1.805
   76   1HD1  LEU  10          1HD1      LEU  10 -10.299  12.877   2.377
   77   2HD1  LEU  10          2HD1      LEU  10  -9.671  11.350   2.991
   78   3HD1  LEU  10          3HD1      LEU  10 -11.271  11.908   3.484
   79   1HD2  LEU  10          1HD2      LEU  10 -12.213  12.879   0.789
   80   2HD2  LEU  10          2HD2      LEU  10 -13.144  11.887   1.913
   81   3HD2  LEU  10          3HD2      LEU  10 -12.903  11.352   0.249
   82    H    GLN  11           H        GLN  11 -10.207  11.846  -2.516
   83    HA   GLN  11           HA       GLN  11 -12.976  12.370  -2.998
   84   1HB   GLN  11          1HB       GLN  11 -10.437  13.428  -4.177
   85   2HB   GLN  11          2HB       GLN  11 -12.022  14.084  -4.555
   86   1HG   GLN  11          1HG       GLN  11 -12.346  14.595  -2.176
   87   2HG   GLN  11          2HG       GLN  11 -10.760  13.925  -1.825
   88   1HE2  GLN  11          1HE2      GLN  11 -10.041  15.762  -0.985
   89   2HE2  GLN  11          2HE2      GLN  11  -9.652  17.177  -1.900
   90    H    GLN  12           H        GLN  12 -10.734  10.230  -4.300
   91    HA   GLN  12           HA       GLN  12 -12.046  10.132  -6.864
   92   1HB   GLN  12          1HB       GLN  12  -9.746   8.546  -5.745
   93   2HB   GLN  12          2HB       GLN  12 -10.460   8.204  -7.312
   94   1HG   GLN  12          1HG       GLN  12  -9.928  10.520  -8.009
   95   2HG   GLN  12          2HG       GLN  12  -9.127  10.757  -6.462
   96   1HE2  GLN  12          1HE2      GLN  12  -9.031   9.096  -9.474
   97   2HE2  GLN  12          2HE2      GLN  12  -7.369   8.632  -9.423
   98    H    SER  13           H        SER  13 -11.984   8.373  -3.858
   99    HA   SER  13           HA       SER  13 -14.406   7.067  -4.523
  100   1HB   SER  13          1HB       SER  13 -12.774   5.649  -5.775
  101   2HB   SER  13          2HB       SER  13 -11.944   5.321  -4.257
  102    HG   SER  13           HG       SER  13 -14.693   4.806  -4.376
  103    H    GLY  14           H        GLY  14 -11.583   6.360  -2.491
  104   1HA   GLY  14          1HA       GLY  14 -12.849   7.228  -0.117
  105   2HA   GLY  14          2HA       GLY  14 -12.852   5.468  -0.271
  106    H    GLU  15           H        GLU  15 -11.456   6.666   1.752
  107    HA   GLU  15           HA       GLU  15  -8.782   7.157   1.066
  108   1HB   GLU  15          1HB       GLU  15  -9.805   6.253   3.758
  109   2HB   GLU  15          2HB       GLU  15  -8.282   7.062   3.433
  110   1HG   GLU  15          1HG       GLU  15  -9.484   8.826   4.188
  111   2HG   GLU  15          2HG       GLU  15  -9.903   8.918   2.485
  112    H    TYR  16           H        TYR  16  -7.038   5.949   1.061
  113    HA   TYR  16           HA       TYR  16  -7.143   3.099   1.714
  114   1HB   TYR  16          1HB       TYR  16  -7.555   3.278  -0.670
  115   2HB   TYR  16          2HB       TYR  16  -6.261   4.438  -0.861
  116    HD1  TYR  16           HD1      TYR  16  -4.323   3.700  -1.797
  117    HD2  TYR  16           HD2      TYR  16  -6.757   0.887   0.260
  118    HE1  TYR  16           HE1      TYR  16  -2.821   1.905  -2.494
  119    HE2  TYR  16           HE2      TYR  16  -5.241  -0.929  -0.440
  120    HH   TYR  16           HH       TYR  16  -2.187  -0.294  -1.901
  121    H    GLU  17           H        GLU  17  -6.101   5.876   2.580
  122    HA   GLU  17           HA       GLU  17  -3.487   5.183   3.348
  123   1HB   GLU  17          1HB       GLU  17  -4.057   7.514   1.505
  124   2HB   GLU  17          2HB       GLU  17  -2.544   7.358   2.381
  125   1HG   GLU  17          1HG       GLU  17  -2.110   5.269   1.108
  126   2HG   GLU  17          2HG       GLU  17  -3.613   5.535   0.231
  127    H    ILE  18           H        ILE  18  -2.967   6.545   5.116
  128    HA   ILE  18           HA       ILE  18  -5.228   8.002   6.194
  129    HB   ILE  18           HB       ILE  18  -4.159   6.413   7.731
  130   1HG1  ILE  18          1HG1      ILE  18  -3.721   9.263   8.648
  131   2HG1  ILE  18          2HG1      ILE  18  -5.228   8.362   8.748
  132   1HG2  ILE  18          1HG2      ILE  18  -1.933   6.353   6.991
  133   2HG2  ILE  18          2HG2      ILE  18  -1.920   6.892   8.676
  134   3HG2  ILE  18          3HG2      ILE  18  -1.694   8.059   7.382
  135   1HD1  ILE  18          1HD1      ILE  18  -2.676   7.692  10.198
  136   2HD1  ILE  18          2HD1      ILE  18  -4.201   6.811  10.320
  137   3HD1  ILE  18          3HD1      ILE  18  -4.094   8.477  10.892
  138    H    HIS  19           H        HIS  19  -4.872  10.238   7.196
  139    HA   HIS  19           HA       HIS  19  -3.607  11.887   5.239
  140   1HB   HIS  19          1HB       HIS  19  -5.689  12.602   6.411
  141   2HB   HIS  19          2HB       HIS  19  -4.781  12.723   7.913
  142    HD1  HIS  19           HD1      HIS  19  -4.017  15.066   8.410
  143    HD2  HIS  19           HD2      HIS  19  -4.505  14.392   4.345
  144    HE1  HIS  19           HE1      HIS  19  -3.515  17.249   7.277
  145    H    MET  20           H        MET  20  -1.723  10.813   5.549
  146    HA   MET  20           HA       MET  20   0.211  12.215   7.254
  147   1HB   MET  20          1HB       MET  20  -0.104   9.287   6.707
  148   2HB   MET  20          2HB       MET  20   1.430   9.902   7.324
  149   1HG   MET  20          1HG       MET  20  -1.287   9.871   8.631
  150   2HG   MET  20          2HG       MET  20   0.130   8.937   9.098
  151   1HE   MET  20          1HE       MET  20  -0.403  11.320  12.135
  152   2HE   MET  20          2HE       MET  20  -0.203   9.652  11.603
  153   3HE   MET  20          3HE       MET  20  -1.644  10.557  11.138
  154    H    LYS  21           H        LYS  21   2.574  11.252   6.049
  155    HA   LYS  21           HA       LYS  21   2.127  12.356   3.406
  156   1HB   LYS  21          1HB       LYS  21   4.731  11.665   4.760
  157   2HB   LYS  21          2HB       LYS  21   4.594  12.365   3.157
  158   1HG   LYS  21          1HG       LYS  21   3.301  14.256   4.336
  159   2HG   LYS  21          2HG       LYS  21   4.015  13.603   5.811
  160   1HD   LYS  21          1HD       LYS  21   6.248  13.797   4.785
  161   2HD   LYS  21          2HD       LYS  21   5.508  14.545   3.368
  162   1HE   LYS  21          1HE       LYS  21   6.402  16.253   4.794
  163   2HE   LYS  21          2HE       LYS  21   4.638  16.327   4.839
  164   1HZ   LYS  21          1HZ       LYS  21   5.690  16.530   7.033
  165   2HZ   LYS  21          2HZ       LYS  21   6.309  14.957   6.852
  166   3HZ   LYS  21          3HZ       LYS  21   4.641  15.213   6.932
  167    H    ARG  22           H        ARG  22   1.813  11.224   1.707
  168    HA   ARG  22           HA       ARG  22   2.533   8.419   1.821
  169   1HB   ARG  22          1HB       ARG  22   0.538   7.963   0.627
  170   2HB   ARG  22          2HB       ARG  22   0.126   9.232   1.723
  171   1HG   ARG  22          1HG       ARG  22   0.586   9.508  -1.218
  172   2HG   ARG  22          2HG       ARG  22  -0.945   9.621  -0.380
  173   1HD   ARG  22          1HD       ARG  22   1.376  11.534  -0.348
  174   2HD   ARG  22          2HD       ARG  22  -0.232  11.812  -0.976
  175    HE   ARG  22           HE       ARG  22  -0.347  11.339   1.798
  176   1HH1  ARG  22          1HH1      ARG  22   0.566  13.831  -0.614
  177   2HH1  ARG  22          2HH1      ARG  22   0.555  15.098   0.499
  178   1HH2  ARG  22          1HH2      ARG  22  -0.311  13.166   3.324
  179   2HH2  ARG  22          2HH2      ARG  22   0.016  14.742   2.759
  180    H    ALA  23           H        ALA  23   3.845   7.592   0.269
  181    HA   ALA  23           HA       ALA  23   4.230   9.110  -2.150
  182   1HB   ALA  23          1HB       ALA  23   6.458   8.222  -0.309
  183   2HB   ALA  23          2HB       ALA  23   6.049   9.879  -0.748
  184   3HB   ALA  23          3HB       ALA  23   6.695   8.775  -1.963
  185    H    GLY  24           H        GLY  24   3.258   7.640  -3.322
  186   1HA   GLY  24          1HA       GLY  24   4.218   4.907  -3.021
  187   2HA   GLY  24          2HA       GLY  24   2.559   5.314  -3.511
  188    H    PHE  25           H        PHE  25   5.924   5.118  -4.497
  189    HA   PHE  25           HA       PHE  25   5.435   6.012  -7.149
  190   1HB   PHE  25          1HB       PHE  25   7.760   4.411  -6.046
  191   2HB   PHE  25          2HB       PHE  25   7.697   5.070  -7.670
  192    HD1  PHE  25           HD1      PHE  25   7.949   5.903  -4.092
  193    HD2  PHE  25           HD2      PHE  25   8.161   7.376  -8.076
  194    HE1  PHE  25           HE1      PHE  25   8.978   7.985  -3.271
  195    HE2  PHE  25           HE2      PHE  25   9.185   9.458  -7.250
  196    HZ   PHE  25           HZ       PHE  25   9.585   9.755  -4.838
  197    H    ARG  26           H        ARG  26   6.670   2.737  -6.470
  198    HA   ARG  26           HA       ARG  26   5.378   1.903  -8.873
  199   1HB   ARG  26          1HB       ARG  26   6.740   0.128  -6.869
  200   2HB   ARG  26          2HB       ARG  26   6.249  -0.342  -8.488
  201   1HG   ARG  26          1HG       ARG  26   7.741   1.630  -9.241
  202   2HG   ARG  26          2HG       ARG  26   8.461   1.487  -7.641
  203   1HD   ARG  26          1HD       ARG  26   9.815   0.144  -9.011
  204   2HD   ARG  26          2HD       ARG  26   8.753  -1.000  -8.193
  205    HE   ARG  26           HE       ARG  26   8.538  -0.106 -10.978
  206   1HH1  ARG  26          1HH1      ARG  26   7.546  -2.425  -8.525
  207   2HH1  ARG  26          2HH1      ARG  26   6.954  -3.569  -9.619
  208   1HH2  ARG  26          1HH2      ARG  26   7.799  -1.666 -12.497
  209   2HH2  ARG  26          2HH2      ARG  26   7.129  -3.145 -11.986
  210    H    GLU  27           H        GLU  27   4.417   1.606  -5.487
  211    HA   GLU  27           HA       GLU  27   2.537  -0.425  -6.060
  212   1HB   GLU  27          1HB       GLU  27   3.548  -0.052  -3.820
  213   2HB   GLU  27          2HB       GLU  27   2.732   1.498  -3.771
  214   1HG   GLU  27          1HG       GLU  27   1.826  -0.492  -2.420
  215   2HG   GLU  27          2HG       GLU  27   0.663   0.537  -3.267
  216    H    CYS  28           H        CYS  28   2.634   2.936  -6.701
  217    HA   CYS  28           HA       CYS  28  -0.045   3.568  -6.619
  218   1HB   CYS  28          1HB       CYS  28   1.724   5.187  -7.143
  219   2HB   CYS  28          2HB       CYS  28   1.935   4.431  -8.719
  220    HG   CYS  28           HG       CYS  28  -0.541   6.363  -7.562
  221    H    ALA  29           H        ALA  29   1.835   1.645  -8.881
  222    HA   ALA  29           HA       ALA  29  -0.078   1.502 -10.976
  223   1HB   ALA  29          1HB       ALA  29   2.221  -0.333 -10.362
  224   2HB   ALA  29          2HB       ALA  29   2.315   1.108 -11.375
  225   3HB   ALA  29          3HB       ALA  29   1.326  -0.263 -11.879
  226    H    ALA  30           H        ALA  30   0.801  -0.538  -8.351
  227    HA   ALA  30           HA       ALA  30  -0.952  -2.623  -8.891
  228   1HB   ALA  30          1HB       ALA  30   0.101  -1.681  -6.301
  229   2HB   ALA  30          2HB       ALA  30   1.004  -2.592  -7.489
  230   3HB   ALA  30          3HB       ALA  30  -0.426  -3.312  -6.721
  231    H    MET  31           H        MET  31  -1.253   0.189  -6.741
  232    HA   MET  31           HA       MET  31  -3.617  -0.572  -5.545
  233   1HB   MET  31          1HB       MET  31  -3.956   1.752  -4.837
  234   2HB   MET  31          2HB       MET  31  -2.301   1.216  -4.609
  235   1HG   MET  31          1HG       MET  31  -1.672   2.413  -6.657
  236   2HG   MET  31          2HG       MET  31  -3.319   2.993  -6.807
  237   1HE   MET  31          1HE       MET  31  -1.235   2.570  -3.424
  238   2HE   MET  31          2HE       MET  31  -0.556   4.184  -3.264
  239   3HE   MET  31          3HE       MET  31  -0.027   3.136  -4.574
  240    H    ILE  32           H        ILE  32  -3.170   0.913  -8.639
  241    HA   ILE  32           HA       ILE  32  -5.805   1.721  -9.145
  242    HB   ILE  32           HB       ILE  32  -3.702   0.661 -11.052
  243   1HG1  ILE  32          1HG1      ILE  32  -2.953   2.663  -9.890
  244   2HG1  ILE  32          2HG1      ILE  32  -3.259   3.030 -11.580
  245   1HG2  ILE  32          1HG2      ILE  32  -5.892   0.497 -12.090
  246   2HG2  ILE  32          2HG2      ILE  32  -4.950   1.778 -12.851
  247   3HG2  ILE  32          3HG2      ILE  32  -6.225   2.186 -11.703
  248   1HD1  ILE  32          1HD1      ILE  32  -5.052   3.706  -9.253
  249   2HD1  ILE  32          2HD1      ILE  32  -5.406   4.044 -10.946
  250   3HD1  ILE  32          3HD1      ILE  32  -4.034   4.825 -10.161
  251    H    GLU  33           H        GLU  33  -4.189  -1.365  -9.474
  252    HA   GLU  33           HA       GLU  33  -6.453  -2.703 -10.656
  253   1HB   GLU  33          1HB       GLU  33  -3.893  -3.850  -9.520
  254   2HB   GLU  33          2HB       GLU  33  -5.045  -4.674 -10.563
  255   1HG   GLU  33          1HG       GLU  33  -3.471  -2.250 -11.358
  256   2HG   GLU  33          2HG       GLU  33  -3.035  -3.912 -11.748
  257    H    LYS  34           H        LYS  34  -4.998  -2.332  -7.525
  258    HA   LYS  34           HA       LYS  34  -6.385  -4.391  -6.142
  259   1HB   LYS  34          1HB       LYS  34  -4.854  -1.974  -5.293
  260   2HB   LYS  34          2HB       LYS  34  -5.631  -2.997  -4.104
  261   1HG   LYS  34          1HG       LYS  34  -4.290  -4.791  -4.512
  262   2HG   LYS  34          2HG       LYS  34  -3.870  -4.306  -6.154
  263   1HD   LYS  34          1HD       LYS  34  -2.461  -2.530  -5.158
  264   2HD   LYS  34          2HD       LYS  34  -2.855  -3.154  -3.553
  265   1HE   LYS  34          1HE       LYS  34  -1.967  -5.365  -4.263
  266   2HE   LYS  34          2HE       LYS  34  -1.477  -4.661  -5.786
  267   1HZ   LYS  34          1HZ       LYS  34  -0.404  -3.973  -3.087
  268   2HZ   LYS  34          2HZ       LYS  34  -0.115  -3.083  -4.414
  269   3HZ   LYS  34          3HZ       LYS  34   0.451  -4.653  -4.374
  270    H    LYS  35           H        LYS  35  -7.316  -1.438  -7.272
  271    HA   LYS  35           HA       LYS  35  -9.266  -0.547  -5.473
  272   1HB   LYS  35          1HB       LYS  35  -8.327   0.768  -7.268
  273   2HB   LYS  35          2HB       LYS  35  -8.986  -0.329  -8.459
  274   1HG   LYS  35          1HG       LYS  35 -11.260   0.328  -7.595
  275   2HG   LYS  35          2HG       LYS  35 -10.430   1.603  -6.700
  276   1HD   LYS  35          1HD       LYS  35  -9.466   2.448  -8.799
  277   2HD   LYS  35          2HD       LYS  35 -10.317   1.188  -9.681
  278   1HE   LYS  35          1HE       LYS  35 -11.527   3.271  -9.826
  279   2HE   LYS  35          2HE       LYS  35 -12.438   2.065  -8.924
  280   1HZ   LYS  35          1HZ       LYS  35 -10.838   4.255  -7.722
  281   2HZ   LYS  35          2HZ       LYS  35 -11.719   3.083  -6.872
  282   3HZ   LYS  35          3HZ       LYS  35 -12.530   4.206  -7.832
  283    H    ALA  36           H        ALA  36  -9.242  -3.039  -7.936
  284    HA   ALA  36           HA       ALA  36 -12.068  -3.254  -8.145
  285   1HB   ALA  36          1HB       ALA  36 -10.611  -3.836 -10.019
  286   2HB   ALA  36          2HB       ALA  36 -11.631  -5.200  -9.560
  287   3HB   ALA  36          3HB       ALA  36  -9.933  -5.166  -9.082
  288    H    ARG  37           H        ARG  37  -9.548  -5.188  -6.573
  289    HA   ARG  37           HA       ARG  37 -11.346  -6.029  -4.518
  290   1HB   ARG  37          1HB       ARG  37 -11.971  -7.697  -6.240
  291   2HB   ARG  37          2HB       ARG  37 -10.272  -8.170  -6.340
  292   1HG   ARG  37          1HG       ARG  37 -10.328  -8.824  -3.960
  293   2HG   ARG  37          2HG       ARG  37 -12.050  -8.464  -3.923
  294   1HD   ARG  37          1HD       ARG  37 -10.763 -10.482  -5.748
  295   2HD   ARG  37          2HD       ARG  37 -11.494 -10.870  -4.196
  296    HE   ARG  37           HE       ARG  37 -13.444  -9.556  -5.523
  297   1HH1  ARG  37          1HH1      ARG  37 -11.452 -12.417  -6.267
  298   2HH1  ARG  37          2HH1      ARG  37 -12.644 -13.199  -7.171
  299   1HH2  ARG  37          1HH2      ARG  37 -15.115 -10.681  -6.784
  300   2HH2  ARG  37          2HH2      ARG  37 -14.759 -12.190  -7.479
  301    H    ARG  38           H        ARG  38  -8.520  -7.595  -5.973
  302    HA   ARG  38           HA       ARG  38  -6.773  -6.643  -4.000
  303   1HB   ARG  38          1HB       ARG  38  -7.957  -8.298  -2.642
  304   2HB   ARG  38          2HB       ARG  38  -7.670  -9.531  -3.855
  305   1HG   ARG  38          1HG       ARG  38  -5.260  -9.368  -3.435
  306   2HG   ARG  38          2HG       ARG  38  -5.572  -8.171  -2.179
  307   1HD   ARG  38          1HD       ARG  38  -5.269 -10.361  -1.185
  308   2HD   ARG  38          2HD       ARG  38  -6.930  -9.823  -0.964
  309    HE   ARG  38           HE       ARG  38  -6.305 -11.542  -3.227
  310   1HH1  ARG  38          1HH1      ARG  38  -7.897 -11.179  -0.075
  311   2HH1  ARG  38          2HH1      ARG  38  -8.664 -12.703  -0.141
  312   1HH2  ARG  38          1HH2      ARG  38  -7.423 -13.607  -3.313
  313   2HH2  ARG  38          2HH2      ARG  38  -8.378 -14.113  -2.002
  314    H    VAL  39           H        VAL  39  -4.830  -6.678  -5.064
  315    HA   VAL  39           HA       VAL  39  -4.313  -8.772  -7.046
  316    HB   VAL  39           HB       VAL  39  -3.963  -5.775  -7.591
  317   1HG1  VAL  39          1HG1      VAL  39  -3.322  -6.400  -9.886
  318   2HG1  VAL  39          2HG1      VAL  39  -3.413  -8.104  -9.447
  319   3HG1  VAL  39          3HG1      VAL  39  -2.194  -7.067  -8.704
  320   1HG2  VAL  39          1HG2      VAL  39  -5.863  -7.750  -8.846
  321   2HG2  VAL  39          2HG2      VAL  39  -5.664  -6.075  -9.353
  322   3HG2  VAL  39          3HG2      VAL  39  -6.290  -6.443  -7.749
  323    H    VAL  40           H        VAL  40  -1.883  -8.717  -7.647
  324    HA   VAL  40           HA       VAL  40  -0.300  -7.985  -5.288
  325    HB   VAL  40           HB       VAL  40  -0.454 -10.425  -5.599
  326   1HG1  VAL  40          1HG1      VAL  40  -0.956 -10.525  -7.951
  327   2HG1  VAL  40          2HG1      VAL  40   0.438 -11.541  -7.591
  328   3HG1  VAL  40          3HG1      VAL  40   0.668  -9.967  -8.353
  329   1HG2  VAL  40          1HG2      VAL  40   1.691  -9.573  -4.753
  330   2HG2  VAL  40          2HG2      VAL  40   2.291  -9.434  -6.404
  331   3HG2  VAL  40          3HG2      VAL  40   1.927 -11.022  -5.731
  332    H    HIS  41           H        HIS  41   1.853  -7.061  -5.663
  333    HA   HIS  41           HA       HIS  41   2.502  -6.420  -8.405
  334   1HB   HIS  41          1HB       HIS  41   1.199  -4.545  -7.321
  335   2HB   HIS  41          2HB       HIS  41   2.503  -4.384  -6.162
  336    HD1  HIS  41           HD1      HIS  41   1.697  -3.641  -9.874
  337    HD2  HIS  41           HD2      HIS  41   4.616  -2.782  -7.018
  338    HE1  HIS  41           HE1      HIS  41   3.328  -2.122 -10.947
  339    H    ILE  42           H        ILE  42   4.603  -6.746  -8.672
  340    HA   ILE  42           HA       ILE  42   6.135  -7.476  -6.317
  341    HB   ILE  42           HB       ILE  42   6.613  -8.078  -9.254
  342   1HG1  ILE  42          1HG1      ILE  42   6.382 -10.521  -8.457
  343   2HG1  ILE  42          2HG1      ILE  42   5.677  -9.854  -6.997
  344   1HG2  ILE  42          1HG2      ILE  42   8.235  -8.976  -6.868
  345   2HG2  ILE  42          2HG2      ILE  42   8.752  -7.852  -8.125
  346   3HG2  ILE  42          3HG2      ILE  42   8.470  -9.547  -8.521
  347   1HD1  ILE  42          1HD1      ILE  42   3.882  -8.856  -8.345
  348   2HD1  ILE  42          2HD1      ILE  42   3.959 -10.606  -8.537
  349   3HD1  ILE  42          3HD1      ILE  42   4.601  -9.553  -9.796
  350    H    LYS  43           H        LYS  43   7.940  -6.408  -5.803
  351    HA   LYS  43           HA       LYS  43   9.500  -4.795  -5.644
  352   1HB   LYS  43          1HB       LYS  43   8.948  -4.130  -8.556
  353   2HB   LYS  43          2HB       LYS  43  10.228  -3.434  -7.592
  354   1HG   LYS  43          1HG       LYS  43  11.300  -5.610  -7.444
  355   2HG   LYS  43          2HG       LYS  43   9.990  -6.317  -8.401
  356   1HD   LYS  43          1HD       LYS  43  10.514  -4.743 -10.221
  357   2HD   LYS  43          2HD       LYS  43  11.871  -4.138  -9.278
  358   1HE   LYS  43          1HE       LYS  43  12.917  -6.316  -9.316
  359   2HE   LYS  43          2HE       LYS  43  11.537  -6.990 -10.183
  360   1HZ   LYS  43          1HZ       LYS  43  12.034  -5.543 -12.039
  361   2HZ   LYS  43          2HZ       LYS  43  13.368  -6.489 -11.676
  362   3HZ   LYS  43          3HZ       LYS  43  13.342  -4.865 -11.221
  363    HA   PRO  44           HA       PRO  44   6.040  -1.700  -5.465
  364   1HB   PRO  44          1HB       PRO  44   5.347  -1.858  -2.859
  365   2HB   PRO  44          2HB       PRO  44   4.669  -2.957  -4.068
  366   1HG   PRO  44          1HG       PRO  44   6.925  -3.435  -2.161
  367   2HG   PRO  44          2HG       PRO  44   5.571  -4.504  -2.556
  368   1HD   PRO  44          1HD       PRO  44   8.019  -4.758  -3.653
  369   2HD   PRO  44          2HD       PRO  44   6.525  -5.213  -4.494
  370    H    GLY  45           H        GLY  45   6.606   0.348  -5.036
  371   1HA   GLY  45          1HA       GLY  45   8.975   0.797  -3.336
  372   2HA   GLY  45          2HA       GLY  45   8.817   1.563  -4.918
  373    H    GLU  46           H        GLU  46   6.438   0.996  -2.400
  374    HA   GLU  46           HA       GLU  46   5.956   3.868  -2.354
  375   1HB   GLU  46          1HB       GLU  46   3.685   3.280  -2.367
  376   2HB   GLU  46          2HB       GLU  46   4.424   1.894  -3.042
  377   1HG   GLU  46          1HG       GLU  46   3.765   2.014  -0.121
  378   2HG   GLU  46          2HG       GLU  46   2.695   1.355  -1.347
  379    H    LYS  47           H        LYS  47   5.609   4.799  -0.398
  380    HA   LYS  47           HA       LYS  47   5.857   3.271   2.017
  381   1HB   LYS  47          1HB       LYS  47   7.055   5.770   2.428
  382   2HB   LYS  47          2HB       LYS  47   7.808   4.239   2.850
  383   1HG   LYS  47          1HG       LYS  47   9.371   5.203   1.446
  384   2HG   LYS  47          2HG       LYS  47   8.403   4.296   0.270
  385   1HD   LYS  47          1HD       LYS  47   6.960   6.394   0.201
  386   2HD   LYS  47          2HD       LYS  47   8.344   7.164   0.968
  387   1HE   LYS  47          1HE       LYS  47   8.485   5.625  -1.577
  388   2HE   LYS  47          2HE       LYS  47   8.305   7.379  -1.484
  389   1HZ   LYS  47          1HZ       LYS  47  10.622   6.800  -1.773
  390   2HZ   LYS  47          2HZ       LYS  47  10.584   5.785  -0.435
  391   3HZ   LYS  47          3HZ       LYS  47  10.379   7.466  -0.245
  392    H    ILE  48           H        ILE  48   3.834   3.623   1.333
  393    HA   ILE  48           HA       ILE  48   2.589   6.097   1.521
  394    HB   ILE  48           HB       ILE  48   0.438   4.834   1.687
  395   1HG1  ILE  48          1HG1      ILE  48   2.200   2.362   1.522
  396   2HG1  ILE  48          2HG1      ILE  48   1.310   2.860   2.952
  397   1HG2  ILE  48          1HG2      ILE  48   1.365   5.424  -0.465
  398   2HG2  ILE  48          2HG2      ILE  48   0.580   3.847  -0.555
  399   3HG2  ILE  48          3HG2      ILE  48   2.339   3.954  -0.474
  400   1HD1  ILE  48          1HD1      ILE  48  -0.793   2.553   1.736
  401   2HD1  ILE  48          2HD1      ILE  48   0.164   1.072   1.775
  402   3HD1  ILE  48          3HD1      ILE  48   0.114   2.051   0.308
  403    H    LEU  49           H        LEU  49   2.833   7.259   3.155
  404    HA   LEU  49           HA       LEU  49   2.419   8.244   5.030
  405   1HB   LEU  49          1HB       LEU  49   0.976   5.820   6.072
  406   2HB   LEU  49          2HB       LEU  49   0.873   7.442   6.700
  407    HG   LEU  49           HG       LEU  49  -1.087   7.379   5.598
  408   1HD1  LEU  49          1HD1      LEU  49  -1.067   8.406   3.448
  409   2HD1  LEU  49          2HD1      LEU  49   0.674   8.124   3.352
  410   3HD1  LEU  49          3HD1      LEU  49   0.020   9.178   4.603
  411   1HD2  LEU  49          1HD2      LEU  49   0.086   5.496   3.576
  412   2HD2  LEU  49          2HD2      LEU  49  -1.587   6.054   3.586
  413   3HD2  LEU  49          3HD2      LEU  49  -0.976   5.072   4.917
  414    H    GLY  50           H        GLY  50   4.156   5.536   4.836
  415   1HA   GLY  50          1HA       GLY  50   6.085   4.902   6.033
  416   2HA   GLY  50          2HA       GLY  50   5.631   6.052   7.300
  417    H    ALA  51           H        ALA  51   2.931   4.521   6.502
  418    HA   ALA  51           HA       ALA  51   3.069   2.103   7.982
  419   1HB   ALA  51          1HB       ALA  51   1.401   2.812   9.665
  420   2HB   ALA  51          2HB       ALA  51   1.505   4.462   9.058
  421   3HB   ALA  51          3HB       ALA  51   2.905   3.721   9.831
  422    H    ARG  52           H        ARG  52   1.726   0.878   6.853
  423    HA   ARG  52           HA       ARG  52   0.000   2.048   4.888
  424   1HB   ARG  52          1HB       ARG  52  -0.610  -0.407   4.413
  425   2HB   ARG  52          2HB       ARG  52   1.038   0.112   4.096
  426   1HG   ARG  52          1HG       ARG  52   1.805  -0.901   6.139
  427   2HG   ARG  52          2HG       ARG  52   0.152  -1.297   6.604
  428   1HD   ARG  52          1HD       ARG  52   1.486  -2.335   4.120
  429   2HD   ARG  52          2HD       ARG  52   1.510  -3.183   5.668
  430    HE   ARG  52           HE       ARG  52  -1.065  -2.442   4.495
  431   1HH1  ARG  52          1HH1      ARG  52   1.274  -4.956   5.295
  432   2HH1  ARG  52          2HH1      ARG  52   0.196  -6.233   5.239
  433   1HH2  ARG  52          1HH2      ARG  52  -2.614  -4.197   4.384
  434   2HH2  ARG  52          2HH2      ARG  52  -2.096  -5.800   4.711
  435    H    ILE  53           H        ILE  53  -1.558   3.183   5.979
  436    HA   ILE  53           HA       ILE  53  -3.506   1.584   7.477
  437    HB   ILE  53           HB       ILE  53  -2.963   4.558   7.625
  438   1HG1  ILE  53          1HG1      ILE  53  -2.259   2.394   9.637
  439   2HG1  ILE  53          2HG1      ILE  53  -1.110   3.153   8.548
  440   1HG2  ILE  53          1HG2      ILE  53  -4.738   2.773   9.320
  441   2HG2  ILE  53          2HG2      ILE  53  -5.283   3.992   8.167
  442   3HG2  ILE  53          3HG2      ILE  53  -4.429   4.482   9.632
  443   1HD1  ILE  53          1HD1      ILE  53  -2.677   4.604  10.671
  444   2HD1  ILE  53          2HD1      ILE  53  -1.377   5.261   9.666
  445   3HD1  ILE  53          3HD1      ILE  53  -1.029   4.012  10.852
  446    H    ILE  54           H        ILE  54  -5.499   1.511   6.574
  447    HA   ILE  54           HA       ILE  54  -5.964   2.639   3.982
  448    HB   ILE  54           HB       ILE  54  -7.891   1.290   5.907
  449   1HG1  ILE  54          1HG1      ILE  54  -6.039  -0.204   5.360
  450   2HG1  ILE  54          2HG1      ILE  54  -7.517  -0.764   4.594
  451   1HG2  ILE  54          1HG2      ILE  54  -8.178   1.725   2.939
  452   2HG2  ILE  54          2HG2      ILE  54  -9.065   2.575   4.200
  453   3HG2  ILE  54          3HG2      ILE  54  -9.305   0.842   3.971
  454   1HD1  ILE  54          1HD1      ILE  54  -5.261   0.717   3.248
  455   2HD1  ILE  54          2HD1      ILE  54  -6.749   0.192   2.463
  456   3HD1  ILE  54          3HD1      ILE  54  -5.622  -1.003   3.104
  457    H    GLY  55           H        GLY  55  -7.046   3.340   7.237
  458   1HA   GLY  55          1HA       GLY  55  -7.568   5.512   8.011
  459   2HA   GLY  55          2HA       GLY  55  -7.835   6.017   6.348
  460    H    ILE  56           H        ILE  56  -9.233   3.135   6.659
  461    HA   ILE  56           HA       ILE  56 -11.839   4.168   7.508
  462    HB   ILE  56           HB       ILE  56 -11.329   2.237   5.227
  463   1HG1  ILE  56          1HG1      ILE  56 -12.147   5.150   5.054
  464   2HG1  ILE  56          2HG1      ILE  56 -10.591   4.485   4.584
  465   1HG2  ILE  56          1HG2      ILE  56 -13.869   3.592   6.159
  466   2HG2  ILE  56          2HG2      ILE  56 -13.467   1.887   6.351
  467   3HG2  ILE  56          3HG2      ILE  56 -13.739   2.555   4.739
  468   1HD1  ILE  56          1HD1      ILE  56 -11.683   3.188   2.829
  469   2HD1  ILE  56          2HD1      ILE  56 -11.993   4.915   2.653
  470   3HD1  ILE  56          3HD1      ILE  56 -13.241   3.855   3.313
  471    HA   PRO  57           HA       PRO  57 -11.219   0.419  10.000
  472   1HB   PRO  57          1HB       PRO  57 -14.108   0.631  10.530
  473   2HB   PRO  57          2HB       PRO  57 -12.769   0.656  11.679
  474   1HG   PRO  57          1HG       PRO  57 -14.188   2.861  11.119
  475   2HG   PRO  57          2HG       PRO  57 -12.449   2.931  11.455
  476   1HD   PRO  57          1HD       PRO  57 -13.885   3.066   8.834
  477   2HD   PRO  57          2HD       PRO  57 -12.467   3.976   9.405
  478    HA   PRO  58           HA       PRO  58 -13.300  -2.133   6.858
  479   1HB   PRO  58          1HB       PRO  58 -11.202  -3.478   6.056
  480   2HB   PRO  58          2HB       PRO  58 -11.283  -1.737   5.746
  481   1HG   PRO  58          1HG       PRO  58  -9.615  -3.219   7.717
  482   2HG   PRO  58          2HG       PRO  58  -9.277  -1.695   6.881
  483   1HD   PRO  58          1HD       PRO  58 -10.389  -2.061   9.519
  484   2HD   PRO  58          2HD       PRO  58 -10.042  -0.536   8.669
  485    H    VAL  59           H        VAL  59 -12.852  -4.620   6.492
  486    HA   VAL  59           HA       VAL  59 -13.091  -5.932   9.089
  487    HB   VAL  59           HB       VAL  59 -13.538  -7.110   6.322
  488   1HG1  VAL  59          1HG1      VAL  59 -14.378  -8.112   9.043
  489   2HG1  VAL  59          2HG1      VAL  59 -13.102  -8.785   8.029
  490   3HG1  VAL  59          3HG1      VAL  59 -14.782  -8.871   7.504
  491   1HG2  VAL  59          1HG2      VAL  59 -15.950  -6.858   6.721
  492   2HG2  VAL  59          2HG2      VAL  59 -15.127  -5.297   6.685
  493   3HG2  VAL  59          3HG2      VAL  59 -15.603  -6.009   8.226
  494    HA   PRO  60           HA       PRO  60  -8.843  -6.880   7.909
  495   1HB   PRO  60          1HB       PRO  60  -7.955  -6.973  10.560
  496   2HB   PRO  60          2HB       PRO  60  -7.891  -5.579   9.481
  497   1HG   PRO  60          1HG       PRO  60  -9.473  -5.845  11.803
  498   2HG   PRO  60          2HG       PRO  60  -9.574  -4.562  10.589
  499   1HD   PRO  60          1HD       PRO  60 -11.252  -6.993  10.921
  500   2HD   PRO  60          2HD       PRO  60 -11.668  -5.384  10.278
  501    H    ILE  61           H        ILE  61  -8.969  -8.892   7.171
  502    HA   ILE  61           HA       ILE  61  -8.528 -11.078   9.064
  503    HB   ILE  61           HB       ILE  61 -10.163 -11.154   6.472
  504   1HG1  ILE  61          1HG1      ILE  61 -11.159 -11.492   9.307
  505   2HG1  ILE  61          2HG1      ILE  61 -11.361 -10.045   8.331
  506   1HG2  ILE  61          1HG2      ILE  61 -10.731 -13.476   7.062
  507   2HG2  ILE  61          2HG2      ILE  61  -9.669 -13.373   8.467
  508   3HG2  ILE  61          3HG2      ILE  61  -8.993 -13.266   6.844
  509   1HD1  ILE  61          1HD1      ILE  61 -12.717 -11.310   6.742
  510   2HD1  ILE  61          2HD1      ILE  61 -13.383 -11.380   8.371
  511   3HD1  ILE  61          3HD1      ILE  61 -12.502 -12.765   7.718
  512    H    GLY  62           H        GLY  62  -7.152 -12.786   7.832
  513   1HA   GLY  62          1HA       GLY  62  -6.201 -13.007   5.469
  514   2HA   GLY  62          2HA       GLY  62  -5.602 -11.390   5.802
  515    H    ILE  63           H        ILE  63  -3.655 -12.761   5.165
  516    HA   ILE  63           HA       ILE  63  -2.296 -13.499   7.630
  517    HB   ILE  63           HB       ILE  63  -2.187 -15.150   5.076
  518   1HG1  ILE  63          1HG1      ILE  63  -3.210 -15.897   7.834
  519   2HG1  ILE  63          2HG1      ILE  63  -4.216 -15.563   6.433
  520   1HG2  ILE  63          1HG2      ILE  63  -0.656 -16.634   6.317
  521   2HG2  ILE  63          2HG2      ILE  63  -0.697 -15.515   7.680
  522   3HG2  ILE  63          3HG2      ILE  63   0.008 -15.007   6.146
  523   1HD1  ILE  63          1HD1      ILE  63  -2.274 -17.837   6.734
  524   2HD1  ILE  63          2HD1      ILE  63  -3.258 -17.517   5.309
  525   3HD1  ILE  63          3HD1      ILE  63  -4.032 -17.942   6.838
  526    H    ASP  64           H        ASP  64  -0.856 -11.976   7.731
  527    HA   ASP  64           HA       ASP  64   0.366 -10.850   5.311
  528   1HB   ASP  64          1HB       ASP  64  -0.774  -9.508   7.226
  529   2HB   ASP  64          2HB       ASP  64   0.678  -9.878   8.140
  530    H    GLU  65           H        GLU  65   2.242 -11.988   4.774
  531    HA   GLU  65           HA       GLU  65   3.691 -13.262   6.905
  532   1HB   GLU  65          1HB       GLU  65   3.864 -13.460   3.940
  533   2HB   GLU  65          2HB       GLU  65   5.146 -14.103   4.954
  534   1HG   GLU  65          1HG       GLU  65   2.237 -14.881   5.059
  535   2HG   GLU  65          2HG       GLU  65   3.549 -15.839   4.368
  536    H    GLU  66           H        GLU  66   4.602 -10.954   4.375
  537    HA   GLU  66           HA       GLU  66   6.306  -9.502   6.055
  538   1HB   GLU  66          1HB       GLU  66   7.693 -11.580   5.841
  539   2HB   GLU  66          2HB       GLU  66   7.666 -11.393   4.094
  540   1HG   GLU  66          1HG       GLU  66   9.795 -10.715   5.154
  541   2HG   GLU  66          2HG       GLU  66   9.034  -9.421   4.241
  542    H    ARG  67           H        ARG  67   7.517  -7.961   4.700
  543    HA   ARG  67           HA       ARG  67   5.881  -6.728   2.685
  544   1HB   ARG  67          1HB       ARG  67   7.599  -5.741   4.393
  545   2HB   ARG  67          2HB       ARG  67   8.804  -6.205   3.220
  546   1HG   ARG  67          1HG       ARG  67   6.598  -4.173   2.788
  547   2HG   ARG  67          2HG       ARG  67   8.288  -3.819   3.110
  548   1HD   ARG  67          1HD       ARG  67   8.794  -5.095   0.986
  549   2HD   ARG  67          2HD       ARG  67   7.067  -5.032   0.654
  550    HE   ARG  67           HE       ARG  67   8.974  -2.887   0.455
  551   1HH1  ARG  67          1HH1      ARG  67   5.480  -3.409   1.022
  552   2HH1  ARG  67          2HH1      ARG  67   5.064  -1.961   0.211
  553   1HH2  ARG  67          1HH2      ARG  67   8.277  -0.987  -0.664
  554   2HH2  ARG  67          2HH2      ARG  67   6.586  -0.674  -0.797
  555    H    SER  68           H        SER  68   8.731  -8.705   2.803
  556    HA   SER  68           HA       SER  68   9.120  -8.662  -0.041
  557   1HB   SER  68          1HB       SER  68  10.745  -9.906   2.158
  558   2HB   SER  68          2HB       SER  68  11.260  -9.642   0.486
  559    HG   SER  68           HG       SER  68  11.850  -7.801   1.076
  560    H    THR  69           H        THR  69   6.899  -9.964   1.046
  561    HA   THR  69           HA       THR  69   7.163 -12.576  -0.177
  562    HB   THR  69           HB       THR  69   6.048 -12.290   2.642
  563    HG1  THR  69           HG1      THR  69   8.612 -12.676   1.739
  564   1HG2  THR  69          1HG2      THR  69   6.111 -14.741   2.689
  565   2HG2  THR  69          2HG2      THR  69   6.788 -14.768   1.065
  566   3HG2  THR  69          3HG2      THR  69   5.143 -14.184   1.325
  567    H    VAL  70           H        VAL  70   4.889 -13.404  -0.506
  568    HA   VAL  70           HA       VAL  70   3.220 -11.148  -1.041
  569    HB   VAL  70           HB       VAL  70   1.510 -12.845  -1.872
  570   1HG1  VAL  70          1HG1      VAL  70   2.933 -11.682  -3.422
  571   2HG1  VAL  70          2HG1      VAL  70   2.713 -13.354  -3.940
  572   3HG1  VAL  70          3HG1      VAL  70   4.220 -12.860  -3.169
  573   1HG2  VAL  70          1HG2      VAL  70   2.251 -14.784  -0.637
  574   2HG2  VAL  70          2HG2      VAL  70   3.797 -14.772  -1.484
  575   3HG2  VAL  70          3HG2      VAL  70   2.306 -15.111  -2.366
  576    H    MET  71           H        MET  71   2.150 -10.287   0.391
  577    HA   MET  71           HA       MET  71   1.139 -11.743   2.688
  578   1HB   MET  71          1HB       MET  71   0.455  -9.470   3.489
  579   2HB   MET  71          2HB       MET  71   2.173  -9.571   3.135
  580   1HG   MET  71          1HG       MET  71   1.800  -8.441   0.994
  581   2HG   MET  71          2HG       MET  71   0.077  -8.365   1.335
  582   1HE   MET  71          1HE       MET  71   3.643  -7.200   2.426
  583   2HE   MET  71          2HE       MET  71   2.996  -7.794   3.959
  584   3HE   MET  71          3HE       MET  71   3.280  -6.071   3.725
  585    H    ILE  72           H        ILE  72  -0.925 -12.521   2.661
  586    HA   ILE  72           HA       ILE  72  -2.633 -11.370   0.584
  587    HB   ILE  72           HB       ILE  72  -2.902 -14.209   1.655
  588   1HG1  ILE  72          1HG1      ILE  72  -2.419 -14.819  -0.800
  589   2HG1  ILE  72          2HG1      ILE  72  -1.770 -13.197  -0.958
  590   1HG2  ILE  72          1HG2      ILE  72  -4.404 -12.801  -0.550
  591   2HG2  ILE  72          2HG2      ILE  72  -5.041 -13.240   1.031
  592   3HG2  ILE  72          3HG2      ILE  72  -4.584 -14.501  -0.114
  593   1HD1  ILE  72          1HD1      ILE  72  -0.005 -14.813  -0.600
  594   2HD1  ILE  72          2HD1      ILE  72  -0.765 -15.348   0.892
  595   3HD1  ILE  72          3HD1      ILE  72  -0.112 -13.712   0.771
  596    HA   PRO  73           HA       PRO  73  -4.778 -10.464   4.381
  597   1HB   PRO  73          1HB       PRO  73  -5.395  -7.885   3.258
  598   2HB   PRO  73          2HB       PRO  73  -4.345  -8.234   4.626
  599   1HG   PRO  73          1HG       PRO  73  -3.429  -7.257   2.240
  600   2HG   PRO  73          2HG       PRO  73  -2.447  -8.262   3.324
  601   1HD   PRO  73          1HD       PRO  73  -4.000  -9.073   0.891
  602   2HD   PRO  73          2HD       PRO  73  -2.350  -9.531   1.387
  603    H    TYR  74           H        TYR  74  -7.000 -10.196   4.664
  604    HA   TYR  74           HA       TYR  74  -8.605 -10.190   2.243
  605   1HB   TYR  74          1HB       TYR  74  -8.482 -12.475   3.365
  606   2HB   TYR  74          2HB       TYR  74  -9.233 -11.719   4.769
  607    HD1  TYR  74           HD1      TYR  74  -9.753 -12.615   1.241
  608    HD2  TYR  74           HD2      TYR  74 -11.593 -11.322   4.840
  609    HE1  TYR  74           HE1      TYR  74 -11.961 -13.030   0.251
  610    HE2  TYR  74           HE2      TYR  74 -13.804 -11.735   3.866
  611    HH   TYR  74           HH       TYR  74 -14.235 -13.527   1.063
  612    H    THR  75           H        THR  75  -8.540  -7.965   2.673
  613    HA   THR  75           HA       THR  75  -9.939  -7.259   5.085
  614    HB   THR  75           HB       THR  75  -9.059  -4.952   4.708
  615    HG1  THR  75           HG1      THR  75  -8.411  -5.882   2.324
  616   1HG2  THR  75          1HG2      THR  75  -6.749  -5.463   5.420
  617   2HG2  THR  75          2HG2      THR  75  -6.988  -7.146   4.945
  618   3HG2  THR  75          3HG2      THR  75  -7.934  -6.458   6.263
  619    H    LYS  76           H        LYS  76 -11.843  -6.274   4.931
  620    HA   LYS  76           HA       LYS  76 -12.731  -5.581   2.220
  621   1HB   LYS  76          1HB       LYS  76 -14.432  -6.344   4.602
  622   2HB   LYS  76          2HB       LYS  76 -15.054  -5.853   3.041
  623   1HG   LYS  76          1HG       LYS  76 -13.981  -7.795   1.996
  624   2HG   LYS  76          2HG       LYS  76 -13.375  -8.296   3.574
  625   1HD   LYS  76          1HD       LYS  76 -15.367  -9.565   3.038
  626   2HD   LYS  76          2HD       LYS  76 -15.707  -8.474   4.378
  627   1HE   LYS  76          1HE       LYS  76 -17.557  -8.486   2.798
  628   2HE   LYS  76          2HE       LYS  76 -16.793  -6.902   2.814
  629   1HZ   LYS  76          1HZ       LYS  76 -15.626  -7.548   0.726
  630   2HZ   LYS  76          2HZ       LYS  76 -17.295  -7.639   0.565
  631   3HZ   LYS  76          3HZ       LYS  76 -16.408  -9.030   0.781
  632    HA   PRO  77           HA       PRO  77 -12.920  -1.490   4.164
  633   1HB   PRO  77          1HB       PRO  77 -11.136  -0.306   2.484
  634   2HB   PRO  77          2HB       PRO  77 -10.621  -1.205   3.909
  635   1HG   PRO  77          1HG       PRO  77 -10.232  -1.876   1.123
  636   2HG   PRO  77          2HG       PRO  77  -9.618  -2.720   2.551
  637   1HD   PRO  77          1HD       PRO  77 -11.997  -3.305   0.895
  638   2HD   PRO  77          2HD       PRO  77 -11.064  -4.380   1.962
  639    H    CYS  78           H        CYS  78 -12.761   0.702   2.453
  640    HA   CYS  78           HA       CYS  78 -15.035   0.222   0.722
  641   1HB   CYS  78          1HB       CYS  78 -14.869   2.165   2.413
  642   2HB   CYS  78          2HB       CYS  78 -13.706   2.867   1.305
  643    HG   CYS  78           HG       CYS  78 -16.805   2.024   0.289
  644    H    TYR  79           H        TYR  79 -11.908  -0.220   0.371
  645    HA   TYR  79           HA       TYR  79 -11.839   0.871  -2.354
  646   1HB   TYR  79          1HB       TYR  79 -10.242   2.004  -0.766
  647   2HB   TYR  79          2HB       TYR  79  -9.418   0.469  -0.570
  648    HD1  TYR  79           HD1      TYR  79  -7.993  -0.414  -2.386
  649    HD2  TYR  79           HD2      TYR  79 -10.047   3.286  -2.787
  650    HE1  TYR  79           HE1      TYR  79  -6.570   0.154  -4.309
  651    HE2  TYR  79           HE2      TYR  79  -8.634   3.863  -4.701
  652    HH   TYR  79           HH       TYR  79  -6.542   1.595  -6.201
  653    H    GLY  80           H        GLY  80  -9.518  -1.356  -0.789
  654   1HA   GLY  80          1HA       GLY  80 -10.539  -3.737  -1.765
  655   2HA   GLY  80          2HA       GLY  80  -9.401  -3.080  -2.943
  656    H    THR  81           H        THR  81  -8.220  -5.088  -2.286
  657    HA   THR  81           HA       THR  81  -6.669  -4.603   0.142
  658    HB   THR  81           HB       THR  81  -7.284  -7.285  -1.120
  659    HG1  THR  81           HG1      THR  81  -9.055  -6.010  -0.030
  660   1HG2  THR  81          1HG2      THR  81  -6.107  -6.542   1.551
  661   2HG2  THR  81          2HG2      THR  81  -5.213  -7.195   0.179
  662   3HG2  THR  81          3HG2      THR  81  -6.435  -8.181   0.986
  663    H    ALA  82           H        ALA  82  -4.486  -5.069   0.049
  664    HA   ALA  82           HA       ALA  82  -3.348  -4.961  -2.664
  665   1HB   ALA  82          1HB       ALA  82  -1.654  -3.509  -1.743
  666   2HB   ALA  82          2HB       ALA  82  -2.398  -3.628  -0.151
  667   3HB   ALA  82          3HB       ALA  82  -3.266  -2.842  -1.467
  668    H    VAL  83           H        VAL  83  -2.148  -6.727  -3.087
  669    HA   VAL  83           HA       VAL  83  -0.664  -7.989  -0.914
  670    HB   VAL  83           HB       VAL  83  -1.181  -8.942  -3.773
  671   1HG1  VAL  83          1HG1      VAL  83  -0.265 -11.088  -3.055
  672   2HG1  VAL  83          2HG1      VAL  83   0.045 -10.424  -1.453
  673   3HG1  VAL  83          3HG1      VAL  83   0.924  -9.798  -2.844
  674   1HG2  VAL  83          1HG2      VAL  83  -2.413  -9.900  -1.195
  675   2HG2  VAL  83          2HG2      VAL  83  -2.674 -10.613  -2.787
  676   3HG2  VAL  83          3HG2      VAL  83  -3.227  -8.969  -2.450
  677    H    VAL  84           H        VAL  84   1.227  -6.882  -0.719
  678    HA   VAL  84           HA       VAL  84   2.527  -5.996  -3.171
  679    HB   VAL  84           HB       VAL  84   3.819  -4.437  -1.840
  680   1HG1  VAL  84          1HG1      VAL  84   0.970  -4.367  -0.960
  681   2HG1  VAL  84          2HG1      VAL  84   1.659  -3.667  -2.424
  682   3HG1  VAL  84          3HG1      VAL  84   2.117  -3.034  -0.843
  683   1HG2  VAL  84          1HG2      VAL  84   3.631  -4.237   0.601
  684   2HG2  VAL  84          2HG2      VAL  84   4.262  -5.820   0.144
  685   3HG2  VAL  84          3HG2      VAL  84   2.577  -5.651   0.636
  686    H    GLU  85           H        GLU  85   4.493  -7.082  -3.756
  687    HA   GLU  85           HA       GLU  85   5.785  -8.694  -1.678
  688   1HB   GLU  85          1HB       GLU  85   4.538 -10.265  -3.130
  689   2HB   GLU  85          2HB       GLU  85   5.381  -9.627  -4.543
  690   1HG   GLU  85          1HG       GLU  85   7.535 -10.312  -3.436
  691   2HG   GLU  85          2HG       GLU  85   6.566 -11.133  -2.222
  692    H    LEU  86           H        LEU  86   7.710  -7.950  -1.397
  693    HA   LEU  86           HA       LEU  86   9.057  -6.542  -3.575
  694   1HB   LEU  86          1HB       LEU  86   8.727  -5.501  -1.336
  695   2HB   LEU  86          2HB       LEU  86   9.741  -6.747  -0.651
  696    HG   LEU  86           HG       LEU  86  11.533  -5.917  -2.245
  697   1HD1  LEU  86          1HD1      LEU  86  11.383  -3.594  -2.913
  698   2HD1  LEU  86          2HD1      LEU  86   9.696  -3.561  -2.393
  699   3HD1  LEU  86          3HD1      LEU  86  10.194  -4.614  -3.717
  700   1HD2  LEU  86          1HD2      LEU  86  12.169  -4.122  -0.690
  701   2HD2  LEU  86          2HD2      LEU  86  11.649  -5.589   0.138
  702   3HD2  LEU  86          3HD2      LEU  86  10.563  -4.202   0.027
  703    HA   PRO  87           HA       PRO  87  11.758 -10.181  -3.805
  704   1HB   PRO  87          1HB       PRO  87  13.347  -9.395  -5.801
  705   2HB   PRO  87          2HB       PRO  87  11.649  -9.791  -6.100
  706   1HG   PRO  87          1HG       PRO  87  12.934  -7.111  -5.803
  707   2HG   PRO  87          2HG       PRO  87  11.716  -7.649  -6.972
  708   1HD   PRO  87          1HD       PRO  87  11.140  -6.233  -4.683
  709   2HD   PRO  87          2HD       PRO  87   9.986  -7.301  -5.508
  710    H    VAL  88           H        VAL  88  12.486  -7.192  -2.710
  711    HA   VAL  88           HA       VAL  88  15.353  -7.639  -2.259
  712    HB   VAL  88           HB       VAL  88  13.718  -5.210  -1.462
  713   1HG1  VAL  88          1HG1      VAL  88  15.866  -5.323  -0.372
  714   2HG1  VAL  88          2HG1      VAL  88  15.853  -3.998  -1.534
  715   3HG1  VAL  88          3HG1      VAL  88  16.677  -5.508  -1.926
  716   1HG2  VAL  88          1HG2      VAL  88  13.431  -5.472  -3.853
  717   2HG2  VAL  88          2HG2      VAL  88  15.174  -5.615  -4.069
  718   3HG2  VAL  88          3HG2      VAL  88  14.478  -4.088  -3.526
  719    H    ASP  89           H        ASP  89  16.038  -7.146   0.066
  720    HA   ASP  89           HA       ASP  89  14.667  -8.885   1.827
  721   1HB   ASP  89          1HB       ASP  89  17.093  -8.571   1.745
  722   2HB   ASP  89          2HB       ASP  89  16.928  -6.925   2.312
  723    HA   PRO  90           HA       PRO  90  11.706  -6.239   3.893
  724   1HB   PRO  90          1HB       PRO  90  12.230  -7.120   6.511
  725   2HB   PRO  90          2HB       PRO  90  11.027  -7.774   5.400
  726   1HG   PRO  90          1HG       PRO  90  13.769  -8.737   6.010
  727   2HG   PRO  90          2HG       PRO  90  12.311  -9.669   5.621
  728   1HD   PRO  90          1HD       PRO  90  14.273  -9.340   3.849
  729   2HD   PRO  90          2HD       PRO  90  12.571  -9.328   3.336
  730    H    GLU  91           H        GLU  91  15.078  -6.051   4.598
  731    HA   GLU  91           HA       GLU  91  15.234  -4.123   6.601
  732   1HB   GLU  91          1HB       GLU  91  17.408  -3.473   5.579
  733   2HB   GLU  91          2HB       GLU  91  17.232  -5.208   5.788
  734   1HG   GLU  91          1HG       GLU  91  16.653  -5.437   3.446
  735   2HG   GLU  91          2HG       GLU  91  16.825  -3.706   3.216
  736    H    GLU  92           H        GLU  92  14.166  -3.828   3.356
  737    HA   GLU  92           HA       GLU  92  14.469  -1.099   2.906
  738   1HB   GLU  92          1HB       GLU  92  12.454  -3.077   1.909
  739   2HB   GLU  92          2HB       GLU  92  12.379  -1.380   1.461
  740   1HG   GLU  92          1HG       GLU  92  14.746  -3.175   0.985
  741   2HG   GLU  92          2HG       GLU  92  13.515  -2.778  -0.214
  742    H    ILE  93           H        ILE  93  12.301  -2.739   5.052
  743    HA   ILE  93           HA       ILE  93  10.330  -0.714   5.259
  744    HB   ILE  93           HB       ILE  93  11.215  -2.826   7.227
  745   1HG1  ILE  93          1HG1      ILE  93  10.037  -3.616   5.210
  746   2HG1  ILE  93          2HG1      ILE  93   9.114  -3.937   6.673
  747   1HG2  ILE  93          1HG2      ILE  93   8.896  -0.918   7.563
  748   2HG2  ILE  93          2HG2      ILE  93  10.347  -0.988   8.564
  749   3HG2  ILE  93          3HG2      ILE  93   9.200  -2.328   8.576
  750   1HD1  ILE  93          1HD1      ILE  93   7.639  -3.177   4.926
  751   2HD1  ILE  93          2HD1      ILE  93   8.610  -1.731   4.675
  752   3HD1  ILE  93          3HD1      ILE  93   7.726  -1.949   6.186
  753    H    GLU  94           H        GLU  94  13.394  -1.217   6.940
  754    HA   GLU  94           HA       GLU  94  13.073   0.933   8.750
  755   1HB   GLU  94          1HB       GLU  94  15.666  -0.214   7.695
  756   2HB   GLU  94          2HB       GLU  94  15.471   0.753   9.149
  757   1HG   GLU  94          1HG       GLU  94  14.474  -2.032   8.650
  758   2HG   GLU  94          2HG       GLU  94  15.679  -1.504   9.824
  759    H    ARG  95           H        ARG  95  14.376   0.633   5.553
  760    HA   ARG  95           HA       ARG  95  15.352   3.266   5.234
  761   1HB   ARG  95          1HB       ARG  95  15.931   1.539   3.616
  762   2HB   ARG  95          2HB       ARG  95  14.234   1.310   3.208
  763   1HG   ARG  95          1HG       ARG  95  14.179   3.637   2.373
  764   2HG   ARG  95          2HG       ARG  95  15.910   3.744   2.673
  765   1HD   ARG  95          1HD       ARG  95  16.321   1.973   1.083
  766   2HD   ARG  95          2HD       ARG  95  14.584   1.744   0.861
  767    HE   ARG  95           HE       ARG  95  15.721   4.362   0.272
  768   1HH1  ARG  95          1HH1      ARG  95  14.492   1.296  -0.988
  769   2HH1  ARG  95          2HH1      ARG  95  14.097   1.945  -2.511
  770   1HH2  ARG  95          1HH2      ARG  95  15.206   5.220  -1.854
  771   2HH2  ARG  95          2HH2      ARG  95  14.527   4.187  -3.031
  772    H    ILE  96           H        ILE  96  12.316   1.714   4.446
  773    HA   ILE  96           HA       ILE  96  10.946   3.842   3.331
  774    HB   ILE  96           HB       ILE  96  10.489   1.209   4.308
  775   1HG1  ILE  96          1HG1      ILE  96   9.492   2.624   1.851
  776   2HG1  ILE  96          2HG1      ILE  96  10.906   1.586   1.994
  777   1HG2  ILE  96          1HG2      ILE  96   7.952   1.251   4.154
  778   2HG2  ILE  96          2HG2      ILE  96   8.052   3.013   4.278
  779   3HG2  ILE  96          3HG2      ILE  96   8.652   2.003   5.580
  780   1HD1  ILE  96          1HD1      ILE  96   8.047   0.715   2.322
  781   2HD1  ILE  96          2HD1      ILE  96   9.469  -0.328   2.403
  782   3HD1  ILE  96          3HD1      ILE  96   9.043   0.475   0.890
  783    H    LEU  97           H        LEU  97  11.383   2.988   6.665
  784    HA   LEU  97           HA       LEU  97   9.251   4.578   7.638
  785   1HB   LEU  97          1HB       LEU  97  10.356   2.772   8.926
  786   2HB   LEU  97          2HB       LEU  97  11.787   3.770   9.064
  787    HG   LEU  97           HG       LEU  97  10.525   5.392  10.419
  788   1HD1  LEU  97          1HD1      LEU  97   8.297   5.052   9.498
  789   2HD1  LEU  97          2HD1      LEU  97   8.282   4.804  11.243
  790   3HD1  LEU  97          3HD1      LEU  97   8.258   3.416  10.157
  791   1HD2  LEU  97          1HD2      LEU  97  10.269   3.981  12.405
  792   2HD2  LEU  97          2HD2      LEU  97  11.742   3.594  11.512
  793   3HD2  LEU  97          3HD2      LEU  97  10.332   2.544  11.382
  794    H    GLU  98           H        GLU  98  12.605   5.269   6.938
  795    HA   GLU  98           HA       GLU  98  12.451   8.028   7.875
  796   1HB   GLU  98          1HB       GLU  98  14.522   6.709   8.126
  797   2HB   GLU  98          2HB       GLU  98  14.599   6.510   6.386
  798   1HG   GLU  98          1HG       GLU  98  16.190   8.184   7.121
  799   2HG   GLU  98          2HG       GLU  98  14.941   8.910   6.115
  800    H    VAL  99           H        VAL  99  12.745   6.259   4.910
  801    HA   VAL  99           HA       VAL  99  12.740   8.518   3.137
  802    HB   VAL  99           HB       VAL  99  12.771   5.505   2.685
  803   1HG1  VAL  99          1HG1      VAL  99  13.376   7.720   0.688
  804   2HG1  VAL  99          2HG1      VAL  99  11.981   6.645   0.627
  805   3HG1  VAL  99          3HG1      VAL  99  13.606   5.995   0.400
  806   1HG2  VAL  99          1HG2      VAL  99  14.974   7.556   2.670
  807   2HG2  VAL  99          2HG2      VAL  99  15.166   5.870   2.197
  808   3HG2  VAL  99          3HG2      VAL  99  14.712   6.275   3.854
  809    H    ALA 100           H        ALA 100  10.359   7.532   4.871
  810    HA   ALA 100           HA       ALA 100   8.277   6.715   3.283
  811   1HB   ALA 100          1HB       ALA 100   6.809   7.362   5.111
  812   2HB   ALA 100          2HB       ALA 100   8.120   8.297   5.831
  813   3HB   ALA 100          3HB       ALA 100   8.254   6.542   5.707
  814    H    GLU 101           H        GLU 101   9.478   9.855   4.040
  815    HA   GLU 101           HA       GLU 101   7.180  11.066   2.853
  816   1HB   GLU 101          1HB       GLU 101   9.554  12.486   4.114
  817   2HB   GLU 101          2HB       GLU 101   7.995  13.167   3.705
  818   1HG   GLU 101          1HG       GLU 101   6.902  11.883   5.428
  819   2HG   GLU 101          2HG       GLU 101   8.388  11.005   5.759
  820    HA   PRO 102           HA       PRO 102  10.226  12.116  -0.439
  821   1HB   PRO 102          1HB       PRO 102  12.919  12.206   0.061
  822   2HB   PRO 102          2HB       PRO 102  11.777  13.505   0.454
  823   1HG   PRO 102          1HG       PRO 102  13.255  11.874   2.292
  824   2HG   PRO 102          2HG       PRO 102  12.057  13.120   2.681
  825   1HD   PRO 102          1HD       PRO 102  11.714  10.170   2.376
  826   2HD   PRO 102          2HD       PRO 102  10.876  11.268   3.490
  Start of MODEL    6
    1    H    HIS   1           H        HIS   1   4.245   6.737 -12.406
    2    HA   HIS   1           HA       HIS   1   1.777   7.144 -10.894
    3   1HB   HIS   1          1HB       HIS   1   3.149   4.605 -11.754
    4   2HB   HIS   1          2HB       HIS   1   2.096   4.664 -10.350
    5    HD1  HIS   1           HD1      HIS   1   1.996   4.558 -14.094
    6    HD2  HIS   1           HD2      HIS   1  -0.606   5.165 -10.902
    7    HE1  HIS   1           HE1      HIS   1  -0.325   4.308 -15.016
    8    H    MET   2           H        MET   2   2.483   8.352  -9.352
    9    HA   MET   2           HA       MET   2   4.096   7.139  -7.329
   10   1HB   MET   2          1HB       MET   2   4.761   9.877  -8.491
   11   2HB   MET   2          2HB       MET   2   5.408   9.248  -6.987
   12   1HG   MET   2          1HG       MET   2   6.539   7.457  -8.252
   13   2HG   MET   2          2HG       MET   2   5.915   8.146  -9.744
   14   1HE   MET   2          1HE       MET   2   6.616  10.536 -10.686
   15   2HE   MET   2          2HE       MET   2   7.764  11.605  -9.886
   16   3HE   MET   2          3HE       MET   2   6.187  11.310  -9.159
   17    H    THR   3           H        THR   3   2.998   7.502  -5.504
   18    HA   THR   3           HA       THR   3   0.803   9.432  -5.608
   19    HB   THR   3           HB       THR   3   1.263   7.008  -3.868
   20    HG1  THR   3           HG1      THR   3  -0.652   6.323  -4.885
   21   1HG2  THR   3          1HG2      THR   3  -1.023   8.994  -3.773
   22   2HG2  THR   3          2HG2      THR   3   0.164   8.701  -2.505
   23   3HG2  THR   3          3HG2      THR   3  -0.996   7.445  -2.933
   24    H    PHE   4           H        PHE   4   1.126  11.294  -4.625
   25    HA   PHE   4           HA       PHE   4   2.525  11.181  -2.099
   26   1HB   PHE   4          1HB       PHE   4   2.929  13.400  -4.146
   27   2HB   PHE   4          2HB       PHE   4   3.620  13.399  -2.528
   28    HD1  PHE   4           HD1      PHE   4   4.158  12.589  -5.884
   29    HD2  PHE   4           HD2      PHE   4   5.038  11.293  -1.934
   30    HE1  PHE   4           HE1      PHE   4   6.042  11.285  -6.735
   31    HE2  PHE   4           HE2      PHE   4   6.932   9.983  -2.784
   32    HZ   PHE   4           HZ       PHE   4   7.414   9.964  -5.187
   33    H    CYS   5           H        CYS   5  -0.310  11.494  -3.272
   34    HA   CYS   5           HA       CYS   5  -1.183  13.629  -1.484
   35   1HB   CYS   5          1HB       CYS   5  -2.278  13.096  -4.262
   36   2HB   CYS   5          2HB       CYS   5  -2.893  14.291  -3.133
   37    HG   CYS   5           HG       CYS   5  -0.162  14.375  -5.086
   38    H    LEU   6           H        LEU   6  -2.128  12.351   0.097
   39    HA   LEU   6           HA       LEU   6  -3.172   9.860  -0.645
   40   1HB   LEU   6          1HB       LEU   6  -3.542   9.330   1.647
   41   2HB   LEU   6          2HB       LEU   6  -2.020  10.151   1.540
   42    HG   LEU   6           HG       LEU   6  -2.904  10.791   3.513
   43   1HD1  LEU   6          1HD1      LEU   6  -2.126  12.753   2.434
   44   2HD1  LEU   6          2HD1      LEU   6  -3.489  13.140   3.487
   45   3HD1  LEU   6          3HD1      LEU   6  -3.725  13.046   1.744
   46   1HD2  LEU   6          1HD2      LEU   6  -5.119   9.893   3.379
   47   2HD2  LEU   6          2HD2      LEU   6  -5.620  11.161   2.263
   48   3HD2  LEU   6          3HD2      LEU   6  -5.237  11.565   3.936
   49    H    GLU   7           H        GLU   7  -4.428  12.958   0.073
   50    HA   GLU   7           HA       GLU   7  -7.120  12.204   0.540
   51   1HB   GLU   7          1HB       GLU   7  -6.525  14.064   1.706
   52   2HB   GLU   7          2HB       GLU   7  -5.568  14.755   0.441
   53   1HG   GLU   7          1HG       GLU   7  -7.468  16.149   0.841
   54   2HG   GLU   7          2HG       GLU   7  -7.696  15.328  -0.712
   55    H    THR   8           H        THR   8  -5.291  12.837  -2.280
   56    HA   THR   8           HA       THR   8  -7.464  13.563  -3.893
   57    HB   THR   8           HB       THR   8  -4.836  12.273  -4.634
   58    HG1  THR   8           HG1      THR   8  -5.473  14.997  -4.973
   59   1HG2  THR   8          1HG2      THR   8  -6.491  12.107  -6.456
   60   2HG2  THR   8          2HG2      THR   8  -5.212  13.248  -6.875
   61   3HG2  THR   8          3HG2      THR   8  -6.786  13.840  -6.345
   62    H    TYR   9           H        TYR   9  -6.136  10.540  -2.734
   63    HA   TYR   9           HA       TYR   9  -7.612   8.933  -4.501
   64   1HB   TYR   9          1HB       TYR   9  -5.978   8.397  -2.074
   65   2HB   TYR   9          2HB       TYR   9  -6.982   7.112  -2.735
   66    HD1  TYR   9           HD1      TYR   9  -4.201   9.421  -3.447
   67    HD2  TYR   9           HD2      TYR   9  -6.375   6.022  -4.770
   68    HE1  TYR   9           HE1      TYR   9  -2.500   9.006  -5.164
   69    HE2  TYR   9           HE2      TYR   9  -4.670   5.594  -6.486
   70    HH   TYR   9           HH       TYR   9  -1.686   7.062  -6.375
   71    H    LEU  10           H        LEU  10  -8.136  10.364  -1.444
   72    HA   LEU  10           HA       LEU  10 -10.349   8.903  -0.542
   73   1HB   LEU  10          1HB       LEU  10  -8.952  10.849   0.688
   74   2HB   LEU  10          2HB       LEU  10  -9.951  11.864  -0.252
   75    HG   LEU  10           HG       LEU  10 -11.396   9.959   1.526
   76   1HD1  LEU  10          1HD1      LEU  10 -11.245  11.574   3.346
   77   2HD1  LEU  10          2HD1      LEU  10 -10.119  12.546   2.401
   78   3HD1  LEU  10          3HD1      LEU  10  -9.651  10.935   2.946
   79   1HD2  LEU  10          1HD2      LEU  10 -11.840  12.814   0.674
   80   2HD2  LEU  10          2HD2      LEU  10 -12.950  11.845   1.638
   81   3HD2  LEU  10          3HD2      LEU  10 -12.612  11.400  -0.040
   82    H    GLN  11           H        GLN  11  -9.934  11.690  -2.578
   83    HA   GLN  11           HA       GLN  11 -12.614  12.303  -3.156
   84   1HB   GLN  11          1HB       GLN  11 -10.025  12.937  -4.512
   85   2HB   GLN  11          2HB       GLN  11 -11.553  13.685  -4.961
   86   1HG   GLN  11          1HG       GLN  11 -11.759  14.683  -2.837
   87   2HG   GLN  11          2HG       GLN  11 -10.428  13.732  -2.185
   88   1HE2  GLN  11          1HE2      GLN  11  -9.289  15.357  -1.567
   89   2HE2  GLN  11          2HE2      GLN  11  -8.467  16.491  -2.593
   90    H    GLN  12           H        GLN  12 -10.178  10.327  -4.650
   91    HA   GLN  12           HA       GLN  12 -11.511   9.887  -7.041
   92   1HB   GLN  12          1HB       GLN  12  -9.302   8.432  -5.638
   93   2HB   GLN  12          2HB       GLN  12  -9.984   7.801  -7.126
   94   1HG   GLN  12          1HG       GLN  12  -9.353   9.795  -8.320
   95   2HG   GLN  12          2HG       GLN  12  -8.819  10.551  -6.825
   96   1HE2  GLN  12          1HE2      GLN  12  -8.093   8.019  -9.160
   97   2HE2  GLN  12          2HE2      GLN  12  -6.447   7.847  -8.701
   98    H    SER  13           H        SER  13 -11.394   8.071  -3.996
   99    HA   SER  13           HA       SER  13 -13.922   6.937  -4.638
  100   1HB   SER  13          1HB       SER  13 -11.550   5.080  -4.315
  101   2HB   SER  13          2HB       SER  13 -13.233   4.574  -4.471
  102    HG   SER  13           HG       SER  13 -12.609   6.256  -6.412
  103    H    GLY  14           H        GLY  14 -11.168   6.135  -2.565
  104   1HA   GLY  14          1HA       GLY  14 -12.461   7.026  -0.221
  105   2HA   GLY  14          2HA       GLY  14 -12.438   5.265  -0.377
  106    H    GLU  15           H        GLU  15 -11.079   6.441   1.618
  107    HA   GLU  15           HA       GLU  15  -8.421   7.059   0.977
  108   1HB   GLU  15          1HB       GLU  15  -9.359   5.954   3.621
  109   2HB   GLU  15          2HB       GLU  15  -7.973   6.980   3.312
  110   1HG   GLU  15          1HG       GLU  15  -9.446   8.500   4.213
  111   2HG   GLU  15          2HG       GLU  15  -9.793   8.675   2.502
  112    H    TYR  16           H        TYR  16  -6.594   5.874   0.977
  113    HA   TYR  16           HA       TYR  16  -6.714   3.010   1.555
  114   1HB   TYR  16          1HB       TYR  16  -6.793   3.230  -0.889
  115   2HB   TYR  16          2HB       TYR  16  -5.432   4.343  -0.867
  116    HD1  TYR  16           HD1      TYR  16  -3.366   3.482  -1.442
  117    HD2  TYR  16           HD2      TYR  16  -6.249   0.867   0.264
  118    HE1  TYR  16           HE1      TYR  16  -1.792   1.598  -1.659
  119    HE2  TYR  16           HE2      TYR  16  -4.687  -1.008   0.039
  120    HH   TYR  16           HH       TYR  16  -1.378  -0.387  -1.080
  121    H    GLU  17           H        GLU  17  -5.748   5.777   2.549
  122    HA   GLU  17           HA       GLU  17  -3.241   5.044   3.629
  123   1HB   GLU  17          1HB       GLU  17  -3.611   7.454   1.840
  124   2HB   GLU  17          2HB       GLU  17  -2.170   7.181   2.809
  125   1HG   GLU  17          1HG       GLU  17  -1.640   5.240   1.429
  126   2HG   GLU  17          2HG       GLU  17  -3.141   5.466   0.534
  127    H    ILE  18           H        ILE  18  -2.886   6.587   5.436
  128    HA   ILE  18           HA       ILE  18  -5.337   7.959   6.102
  129    HB   ILE  18           HB       ILE  18  -4.445   6.379   7.853
  130   1HG1  ILE  18          1HG1      ILE  18  -4.565   9.238   8.832
  131   2HG1  ILE  18          2HG1      ILE  18  -5.973   8.252   8.462
  132   1HG2  ILE  18          1HG2      ILE  18  -2.124   6.609   7.712
  133   2HG2  ILE  18          2HG2      ILE  18  -2.576   7.242   9.300
  134   3HG2  ILE  18          3HG2      ILE  18  -2.202   8.352   7.983
  135   1HD1  ILE  18          1HD1      ILE  18  -3.920   7.700  10.586
  136   2HD1  ILE  18          2HD1      ILE  18  -5.338   6.709  10.241
  137   3HD1  ILE  18          3HD1      ILE  18  -5.536   8.354  10.849
  138    H    HIS  19           H        HIS  19  -5.000  10.204   7.346
  139    HA   HIS  19           HA       HIS  19  -3.663  11.817   5.399
  140   1HB   HIS  19          1HB       HIS  19  -5.875  12.366   6.643
  141   2HB   HIS  19          2HB       HIS  19  -4.835  12.889   7.966
  142    HD1  HIS  19           HD1      HIS  19  -6.158  13.936   4.661
  143    HD2  HIS  19           HD2      HIS  19  -3.255  15.214   7.349
  144    HE1  HIS  19           HE1      HIS  19  -5.548  16.237   3.956
  145    H    MET  20           H        MET  20  -1.778  10.796   5.840
  146    HA   MET  20           HA       MET  20   0.023  12.273   7.630
  147   1HB   MET  20          1HB       MET  20  -0.435   9.375   7.378
  148   2HB   MET  20          2HB       MET  20   1.244   9.843   7.581
  149   1HG   MET  20          1HG       MET  20  -1.083  10.395   9.418
  150   2HG   MET  20          2HG       MET  20   0.248   9.273   9.706
  151   1HE   MET  20          1HE       MET  20   1.029  11.954  12.381
  152   2HE   MET  20          2HE       MET  20   0.749  10.247  12.037
  153   3HE   MET  20          3HE       MET  20  -0.571  11.408  11.891
  154    H    LYS  21           H        LYS  21   2.485  11.343   6.713
  155    HA   LYS  21           HA       LYS  21   2.402  12.454   4.060
  156   1HB   LYS  21          1HB       LYS  21   4.790  11.426   5.608
  157   2HB   LYS  21          2HB       LYS  21   4.857  12.303   4.093
  158   1HG   LYS  21          1HG       LYS  21   3.753  14.215   5.277
  159   2HG   LYS  21          2HG       LYS  21   4.018  13.334   6.785
  160   1HD   LYS  21          1HD       LYS  21   6.451  13.222   6.157
  161   2HD   LYS  21          2HD       LYS  21   6.088  14.325   4.831
  162   1HE   LYS  21          1HE       LYS  21   6.935  15.602   6.676
  163   2HE   LYS  21          2HE       LYS  21   5.210  15.941   6.521
  164   1HZ   LYS  21          1HZ       LYS  21   4.762  14.432   8.328
  165   2HZ   LYS  21          2HZ       LYS  21   5.926  15.544   8.840
  166   3HZ   LYS  21          3HZ       LYS  21   6.386  13.980   8.379
  167    H    ARG  22           H        ARG  22   1.967  11.273   2.402
  168    HA   ARG  22           HA       ARG  22   2.551   8.451   2.536
  169   1HB   ARG  22          1HB       ARG  22   0.659   8.135   1.133
  170   2HB   ARG  22          2HB       ARG  22   0.211   9.329   2.311
  171   1HG   ARG  22          1HG       ARG  22   0.873   9.802  -0.571
  172   2HG   ARG  22          2HG       ARG  22  -0.707   9.925   0.161
  173   1HD   ARG  22          1HD       ARG  22   1.683  11.724   0.525
  174   2HD   ARG  22          2HD       ARG  22   0.178  12.113  -0.267
  175    HE   ARG  22           HE       ARG  22  -0.162  11.536   2.527
  176   1HH1  ARG  22          1HH1      ARG  22   0.684  14.061   0.164
  177   2HH1  ARG  22          2HH1      ARG  22   0.446  15.352   1.246
  178   1HH2  ARG  22          1HH2      ARG  22  -0.408  13.372   4.037
  179   2HH2  ARG  22          2HH2      ARG  22  -0.178  14.968   3.488
  180    H    ALA  23           H        ALA  23   4.030   7.576   1.115
  181    HA   ALA  23           HA       ALA  23   4.674   9.115  -1.248
  182   1HB   ALA  23          1HB       ALA  23   6.427   9.645   0.347
  183   2HB   ALA  23          2HB       ALA  23   7.080   8.578  -0.899
  184   3HB   ALA  23          3HB       ALA  23   6.668   7.937   0.693
  185    H    GLY  24           H        GLY  24   3.737   7.743  -2.595
  186   1HA   GLY  24          1HA       GLY  24   4.521   4.951  -2.293
  187   2HA   GLY  24          2HA       GLY  24   2.900   5.454  -2.811
  188    H    PHE  25           H        PHE  25   6.264   5.087  -3.745
  189    HA   PHE  25           HA       PHE  25   5.897   6.138  -6.381
  190   1HB   PHE  25          1HB       PHE  25   8.078   4.340  -5.284
  191   2HB   PHE  25          2HB       PHE  25   8.111   5.110  -6.859
  192    HD1  PHE  25           HD1      PHE  25   8.679   5.490  -3.325
  193    HD2  PHE  25           HD2      PHE  25   8.324   7.559  -7.004
  194    HE1  PHE  25           HE1      PHE  25   9.807   7.438  -2.338
  195    HE2  PHE  25           HE2      PHE  25   9.439   9.508  -6.026
  196    HZ   PHE  25           HZ       PHE  25  10.175   9.450  -3.678
  197    H    ARG  26           H        ARG  26   6.894   2.877  -5.554
  198    HA   ARG  26           HA       ARG  26   5.914   1.835  -7.998
  199   1HB   ARG  26          1HB       ARG  26   6.906   0.482  -5.529
  200   2HB   ARG  26          2HB       ARG  26   6.408  -0.385  -6.967
  201   1HG   ARG  26          1HG       ARG  26   8.549   1.712  -6.993
  202   2HG   ARG  26          2HG       ARG  26   8.849   0.005  -6.650
  203   1HD   ARG  26          1HD       ARG  26   9.279   0.392  -8.988
  204   2HD   ARG  26          2HD       ARG  26   7.805  -0.555  -8.817
  205    HE   ARG  26           HE       ARG  26   7.740   2.350  -9.278
  206   1HH1  ARG  26          1HH1      ARG  26   6.689  -0.913 -10.217
  207   2HH1  ARG  26          2HH1      ARG  26   5.579  -0.385 -11.381
  208   1HH2  ARG  26          1HH2      ARG  26   6.228   3.077 -10.883
  209   2HH2  ARG  26          2HH2      ARG  26   5.307   1.947 -11.771
  210    H    GLU  27           H        GLU  27   4.555   1.833  -4.692
  211    HA   GLU  27           HA       GLU  27   2.622  -0.087  -5.510
  212   1HB   GLU  27          1HB       GLU  27   3.662   0.465  -3.184
  213   2HB   GLU  27          2HB       GLU  27   2.268   1.541  -3.046
  214   1HG   GLU  27          1HG       GLU  27   1.812  -1.278  -3.837
  215   2HG   GLU  27          2HG       GLU  27   2.323  -0.970  -2.188
  216    H    CYS  28           H        CYS  28   2.940   3.205  -6.048
  217    HA   CYS  28           HA       CYS  28   0.304   4.108  -6.042
  218   1HB   CYS  28          1HB       CYS  28   2.239   5.543  -6.598
  219   2HB   CYS  28          2HB       CYS  28   2.393   4.714  -8.141
  220    HG   CYS  28           HG       CYS  28   0.061   6.841  -7.057
  221    H    ALA  29           H        ALA  29   2.006   2.048  -8.332
  222    HA   ALA  29           HA       ALA  29  -0.007   2.015 -10.342
  223   1HB   ALA  29          1HB       ALA  29   2.150   0.009  -9.763
  224   2HB   ALA  29          2HB       ALA  29   2.319   1.419 -10.810
  225   3HB   ALA  29          3HB       ALA  29   1.211   0.117 -11.253
  226    H    ALA  30           H        ALA  30   0.754  -0.007  -7.633
  227    HA   ALA  30           HA       ALA  30  -1.097  -2.030  -8.060
  228   1HB   ALA  30          1HB       ALA  30  -0.112  -1.028  -5.444
  229   2HB   ALA  30          2HB       ALA  30   0.843  -1.990  -6.551
  230   3HB   ALA  30          3HB       ALA  30  -0.638  -2.664  -5.855
  231    H    MET  31           H        MET  31  -1.293   0.843  -6.024
  232    HA   MET  31           HA       MET  31  -3.798   0.280  -4.932
  233   1HB   MET  31          1HB       MET  31  -3.954   2.669  -4.307
  234   2HB   MET  31          2HB       MET  31  -2.414   1.940  -3.894
  235   1HG   MET  31          1HG       MET  31  -1.440   2.965  -5.908
  236   2HG   MET  31          2HG       MET  31  -2.976   3.759  -6.213
  237   1HE   MET  31          1HE       MET  31   0.078   3.455  -3.738
  238   2HE   MET  31          2HE       MET  31  -1.280   3.213  -2.632
  239   3HE   MET  31          3HE       MET  31  -0.316   4.681  -2.534
  240    H    ILE  32           H        ILE  32  -3.054   1.760  -7.991
  241    HA   ILE  32           HA       ILE  32  -5.652   2.700  -8.590
  242    HB   ILE  32           HB       ILE  32  -3.440   1.753 -10.424
  243   1HG1  ILE  32          1HG1      ILE  32  -2.740   3.648  -9.060
  244   2HG1  ILE  32          2HG1      ILE  32  -2.921   4.144 -10.736
  245   1HG2  ILE  32          1HG2      ILE  32  -4.561   3.060 -12.206
  246   2HG2  ILE  32          2HG2      ILE  32  -5.906   3.366 -11.105
  247   3HG2  ILE  32          3HG2      ILE  32  -5.551   1.720 -11.625
  248   1HD1  ILE  32          1HD1      ILE  32  -4.874   4.679  -8.501
  249   2HD1  ILE  32          2HD1      ILE  32  -5.084   5.166 -10.182
  250   3HD1  ILE  32          3HD1      ILE  32  -3.766   5.843  -9.225
  251    H    GLU  33           H        GLU  33  -4.045  -0.378  -9.002
  252    HA   GLU  33           HA       GLU  33  -6.230  -1.550 -10.440
  253   1HB   GLU  33          1HB       GLU  33  -3.793  -2.849  -9.214
  254   2HB   GLU  33          2HB       GLU  33  -4.908  -3.600 -10.346
  255   1HG   GLU  33          1HG       GLU  33  -3.113  -1.253 -10.921
  256   2HG   GLU  33          2HG       GLU  33  -2.895  -2.910 -11.485
  257    H    LYS  34           H        LYS  34  -5.132  -1.388  -7.144
  258    HA   LYS  34           HA       LYS  34  -6.716  -3.487  -6.106
  259   1HB   LYS  34          1HB       LYS  34  -5.378  -1.117  -4.856
  260   2HB   LYS  34          2HB       LYS  34  -6.359  -2.222  -3.900
  261   1HG   LYS  34          1HG       LYS  34  -4.915  -3.934  -4.098
  262   2HG   LYS  34          2HG       LYS  34  -4.201  -3.384  -5.617
  263   1HD   LYS  34          1HD       LYS  34  -3.131  -1.556  -4.345
  264   2HD   LYS  34          2HD       LYS  34  -3.818  -2.242  -2.859
  265   1HE   LYS  34          1HE       LYS  34  -2.587  -4.290  -3.283
  266   2HE   LYS  34          2HE       LYS  34  -1.914  -3.592  -4.747
  267   1HZ   LYS  34          1HZ       LYS  34  -1.556  -2.497  -2.015
  268   2HZ   LYS  34          2HZ       LYS  34  -0.946  -1.846  -3.393
  269   3HZ   LYS  34          3HZ       LYS  34  -0.387  -3.372  -2.881
  270    H    LYS  35           H        LYS  35  -7.426  -0.320  -7.056
  271    HA   LYS  35           HA       LYS  35  -9.733   0.265  -5.582
  272   1HB   LYS  35          1HB       LYS  35  -8.729   2.002  -6.847
  273   2HB   LYS  35          2HB       LYS  35  -8.753   1.052  -8.320
  274   1HG   LYS  35          1HG       LYS  35 -11.186   1.273  -8.421
  275   2HG   LYS  35          2HG       LYS  35 -11.154   2.217  -6.931
  276   1HD   LYS  35          1HD       LYS  35  -9.993   3.992  -7.966
  277   2HD   LYS  35          2HD       LYS  35  -9.615   3.007  -9.384
  278   1HE   LYS  35          1HE       LYS  35 -11.432   4.637  -9.814
  279   2HE   LYS  35          2HE       LYS  35 -11.913   2.963 -10.032
  280   1HZ   LYS  35          1HZ       LYS  35 -13.039   3.004  -7.918
  281   2HZ   LYS  35          2HZ       LYS  35 -13.581   4.327  -8.801
  282   3HZ   LYS  35          3HZ       LYS  35 -12.467   4.536  -7.579
  283    H    ALA  36           H        ALA  36  -9.167  -1.977  -8.171
  284    HA   ALA  36           HA       ALA  36 -11.858  -2.144  -9.043
  285   1HB   ALA  36          1HB       ALA  36 -10.003  -2.705 -10.543
  286   2HB   ALA  36          2HB       ALA  36 -11.107  -4.070 -10.359
  287   3HB   ALA  36          3HB       ALA  36  -9.566  -4.059  -9.500
  288    H    ARG  37           H        ARG  37  -9.752  -4.178  -6.982
  289    HA   ARG  37           HA       ARG  37 -11.968  -5.030  -5.408
  290   1HB   ARG  37          1HB       ARG  37 -12.168  -6.393  -7.554
  291   2HB   ARG  37          2HB       ARG  37 -10.690  -7.189  -7.039
  292   1HG   ARG  37          1HG       ARG  37 -11.766  -7.989  -5.031
  293   2HG   ARG  37          2HG       ARG  37 -13.253  -7.145  -5.472
  294   1HD   ARG  37          1HD       ARG  37 -11.939  -9.415  -6.953
  295   2HD   ARG  37          2HD       ARG  37 -13.469  -9.454  -6.078
  296    HE   ARG  37           HE       ARG  37 -13.670  -7.470  -8.030
  297   1HH1  ARG  37          1HH1      ARG  37 -13.456 -10.993  -7.854
  298   2HH1  ARG  37          2HH1      ARG  37 -14.117 -11.241  -9.402
  299   1HH2  ARG  37          1HH2      ARG  37 -14.577  -7.800 -10.118
  300   2HH2  ARG  37          2HH2      ARG  37 -14.792  -9.379 -10.728
  301    H    ARG  38           H        ARG  38  -8.995  -6.696  -6.449
  302    HA   ARG  38           HA       ARG  38  -7.582  -6.042  -4.105
  303   1HB   ARG  38          1HB       ARG  38  -8.977  -7.759  -3.077
  304   2HB   ARG  38          2HB       ARG  38  -8.639  -8.867  -4.391
  305   1HG   ARG  38          1HG       ARG  38  -6.376  -9.155  -3.712
  306   2HG   ARG  38          2HG       ARG  38  -6.494  -7.852  -2.536
  307   1HD   ARG  38          1HD       ARG  38  -6.573 -10.064  -1.471
  308   2HD   ARG  38          2HD       ARG  38  -8.056  -9.161  -1.210
  309    HE   ARG  38           HE       ARG  38  -8.348 -10.776  -3.465
  310   1HH1  ARG  38          1HH1      ARG  38  -7.975 -11.164   0.086
  311   2HH1  ARG  38          2HH1      ARG  38  -8.915 -12.573   0.130
  312   1HH2  ARG  38          1HH2      ARG  38  -9.703 -12.698  -3.297
  313   2HH2  ARG  38          2HH2      ARG  38  -9.918 -13.461  -1.795
  314    H    VAL  39           H        VAL  39  -5.597  -5.797  -5.050
  315    HA   VAL  39           HA       VAL  39  -4.775  -7.797  -7.036
  316    HB   VAL  39           HB       VAL  39  -4.484  -4.792  -7.292
  317   1HG1  VAL  39          1HG1      VAL  39  -3.455  -5.207  -9.506
  318   2HG1  VAL  39          2HG1      VAL  39  -3.521  -6.941  -9.206
  319   3HG1  VAL  39          3HG1      VAL  39  -2.486  -5.916  -8.213
  320   1HG2  VAL  39          1HG2      VAL  39  -6.037  -6.768  -8.956
  321   2HG2  VAL  39          2HG2      VAL  39  -5.889  -5.044  -9.301
  322   3HG2  VAL  39          3HG2      VAL  39  -6.709  -5.585  -7.838
  323    H    VAL  40           H        VAL  40  -2.549  -8.165  -7.201
  324    HA   VAL  40           HA       VAL  40  -0.980  -7.284  -4.902
  325    HB   VAL  40           HB       VAL  40  -1.194  -9.756  -5.099
  326   1HG1  VAL  40          1HG1      VAL  40  -1.581  -9.980  -7.456
  327   2HG1  VAL  40          2HG1      VAL  40  -0.201 -10.971  -6.982
  328   3HG1  VAL  40          3HG1      VAL  40   0.057  -9.437  -7.809
  329   1HG2  VAL  40          1HG2      VAL  40   0.930  -8.895  -4.194
  330   2HG2  VAL  40          2HG2      VAL  40   1.607  -8.866  -5.819
  331   3HG2  VAL  40          3HG2      VAL  40   1.171 -10.404  -5.076
  332    H    HIS  41           H        HIS  41   1.147  -6.510  -5.214
  333    HA   HIS  41           HA       HIS  41   1.872  -5.935  -7.950
  334   1HB   HIS  41          1HB       HIS  41   0.781  -3.965  -6.847
  335   2HB   HIS  41          2HB       HIS  41   2.089  -3.960  -5.671
  336    HD1  HIS  41           HD1      HIS  41   1.331  -3.022  -9.313
  337    HD2  HIS  41           HD2      HIS  41   4.434  -2.745  -6.544
  338    HE1  HIS  41           HE1      HIS  41   3.134  -1.732 -10.401
  339    H    ILE  42           H        ILE  42   3.611  -6.975  -8.185
  340    HA   ILE  42           HA       ILE  42   5.285  -7.656  -5.964
  341    HB   ILE  42           HB       ILE  42   5.578  -8.277  -8.927
  342   1HG1  ILE  42          1HG1      ILE  42   5.019 -10.675  -8.159
  343   2HG1  ILE  42          2HG1      ILE  42   4.412  -9.937  -6.690
  344   1HG2  ILE  42          1HG2      ILE  42   7.054  -9.466  -6.566
  345   2HG2  ILE  42          2HG2      ILE  42   7.733  -8.378  -7.771
  346   3HG2  ILE  42          3HG2      ILE  42   7.220  -9.999  -8.239
  347   1HD1  ILE  42          1HD1      ILE  42   2.756  -8.698  -8.012
  348   2HD1  ILE  42          2HD1      ILE  42   2.613 -10.440  -8.253
  349   3HD1  ILE  42          3HD1      ILE  42   3.385  -9.441  -9.484
  350    H    LYS  43           H        LYS  43   7.234  -6.804  -5.618
  351    HA   LYS  43           HA       LYS  43   8.899  -5.336  -5.547
  352   1HB   LYS  43          1HB       LYS  43   8.286  -4.730  -8.453
  353   2HB   LYS  43          2HB       LYS  43   9.689  -4.125  -7.585
  354   1HG   LYS  43          1HG       LYS  43  10.441  -6.451  -7.273
  355   2HG   LYS  43          2HG       LYS  43   9.060  -6.996  -8.224
  356   1HD   LYS  43          1HD       LYS  43   9.863  -5.741 -10.133
  357   2HD   LYS  43          2HD       LYS  43  11.240  -5.157  -9.191
  358   1HE   LYS  43          1HE       LYS  43  11.933  -7.518  -8.880
  359   2HE   LYS  43          2HE       LYS  43  10.620  -8.010  -9.943
  360   1HZ   LYS  43          1HZ       LYS  43  12.876  -6.237 -10.665
  361   2HZ   LYS  43          2HZ       LYS  43  11.653  -6.711 -11.731
  362   3HZ   LYS  43          3HZ       LYS  43  12.736  -7.851 -11.102
  363    HA   PRO  44           HA       PRO  44   5.809  -1.920  -5.068
  364   1HB   PRO  44          1HB       PRO  44   5.323  -2.037  -2.434
  365   2HB   PRO  44          2HB       PRO  44   4.476  -3.108  -3.561
  366   1HG   PRO  44          1HG       PRO  44   6.898  -3.676  -1.887
  367   2HG   PRO  44          2HG       PRO  44   5.444  -4.668  -2.076
  368   1HD   PRO  44          1HD       PRO  44   7.705  -5.153  -3.463
  369   2HD   PRO  44          2HD       PRO  44   6.088  -5.453  -4.127
  370    H    GLY  45           H        GLY  45   6.147   0.071  -3.706
  371   1HA   GLY  45          1HA       GLY  45   8.648   0.358  -2.342
  372   2HA   GLY  45          2HA       GLY  45   8.635   1.089  -3.949
  373    H    GLU  46           H        GLU  46   6.143   0.793  -1.475
  374    HA   GLU  46           HA       GLU  46   5.989   3.713  -1.462
  375   1HB   GLU  46          1HB       GLU  46   3.668   3.429  -1.519
  376   2HB   GLU  46          2HB       GLU  46   4.212   1.996  -2.220
  377   1HG   GLU  46          1HG       GLU  46   3.551   2.062   0.706
  378   2HG   GLU  46          2HG       GLU  46   2.415   1.601  -0.550
  379    H    LYS  47           H        LYS  47   5.721   4.710   0.480
  380    HA   LYS  47           HA       LYS  47   5.868   3.213   2.953
  381   1HB   LYS  47          1HB       LYS  47   7.314   5.713   3.210
  382   2HB   LYS  47          2HB       LYS  47   7.839   4.139   3.765
  383   1HG   LYS  47          1HG       LYS  47   9.522   4.802   2.308
  384   2HG   LYS  47          2HG       LYS  47   8.488   3.800   1.281
  385   1HD   LYS  47          1HD       LYS  47   7.253   5.955   0.740
  386   2HD   LYS  47          2HD       LYS  47   8.648   6.765   1.441
  387   1HE   LYS  47          1HE       LYS  47   8.845   4.734  -0.697
  388   2HE   LYS  47          2HE       LYS  47   8.669   6.457  -1.024
  389   1HZ   LYS  47          1HZ       LYS  47  11.011   5.745  -1.035
  390   2HZ   LYS  47          2HZ       LYS  47  10.872   5.249   0.578
  391   3HZ   LYS  47          3HZ       LYS  47  10.699   6.881   0.173
  392    H    ILE  48           H        ILE  48   3.849   3.705   2.223
  393    HA   ILE  48           HA       ILE  48   2.876   6.315   2.345
  394    HB   ILE  48           HB       ILE  48   0.618   5.332   2.230
  395   1HG1  ILE  48          1HG1      ILE  48   2.029   2.638   2.278
  396   2HG1  ILE  48          2HG1      ILE  48   1.067   3.281   3.601
  397   1HG2  ILE  48          1HG2      ILE  48   0.902   4.259   0.030
  398   2HG2  ILE  48          2HG2      ILE  48   2.634   4.140   0.336
  399   3HG2  ILE  48          3HG2      ILE  48   1.870   5.724   0.200
  400   1HD1  ILE  48          1HD1      ILE  48  -0.174   1.642   2.291
  401   2HD1  ILE  48          2HD1      ILE  48   0.045   2.624   0.842
  402   3HD1  ILE  48          3HD1      ILE  48  -0.919   3.237   2.187
  403    H    LEU  49           H        LEU  49   2.888   7.443   3.988
  404    HA   LEU  49           HA       LEU  49   2.321   8.363   5.831
  405   1HB   LEU  49          1HB       LEU  49   1.013   5.842   6.846
  406   2HB   LEU  49          2HB       LEU  49   0.798   7.458   7.467
  407    HG   LEU  49           HG       LEU  49  -1.113   7.358   6.316
  408   1HD1  LEU  49          1HD1      LEU  49  -1.089   8.290   4.123
  409   2HD1  LEU  49          2HD1      LEU  49   0.643   7.982   4.010
  410   3HD1  LEU  49          3HD1      LEU  49   0.026   9.111   5.215
  411   1HD2  LEU  49          1HD2      LEU  49  -0.965   5.019   5.773
  412   2HD2  LEU  49          2HD2      LEU  49   0.123   5.369   4.433
  413   3HD2  LEU  49          3HD2      LEU  49  -1.552   5.910   4.367
  414    H    GLY  50           H        GLY  50   4.051   5.586   5.739
  415   1HA   GLY  50          1HA       GLY  50   6.136   5.298   6.858
  416   2HA   GLY  50          2HA       GLY  50   5.513   6.290   8.188
  417    H    ALA  51           H        ALA  51   2.958   4.635   7.544
  418    HA   ALA  51           HA       ALA  51   3.449   2.012   8.464
  419   1HB   ALA  51          1HB       ALA  51   1.939   2.289  10.448
  420   2HB   ALA  51          2HB       ALA  51   1.983   4.036  10.201
  421   3HB   ALA  51          3HB       ALA  51   3.455   3.170  10.643
  422    H    ARG  52           H        ARG  52   2.078   1.041   7.079
  423    HA   ARG  52           HA       ARG  52   0.193   2.651   5.751
  424   1HB   ARG  52          1HB       ARG  52  -0.604   0.672   4.554
  425   2HB   ARG  52          2HB       ARG  52   1.120   0.931   4.431
  426   1HG   ARG  52          1HG       ARG  52   1.585  -0.925   5.813
  427   2HG   ARG  52          2HG       ARG  52  -0.103  -1.045   6.337
  428   1HD   ARG  52          1HD       ARG  52   0.604  -2.707   4.572
  429   2HD   ARG  52          2HD       ARG  52  -0.819  -1.740   4.190
  430    HE   ARG  52           HE       ARG  52   1.835  -0.966   3.233
  431   1HH1  ARG  52          1HH1      ARG  52  -1.529  -1.827   2.498
  432   2HH1  ARG  52          2HH1      ARG  52  -1.447  -1.361   0.855
  433   1HH2  ARG  52          1HH2      ARG  52   1.994  -0.465   0.965
  434   2HH2  ARG  52          2HH2      ARG  52   0.634  -0.505  -0.040
  435    H    ILE  53           H        ILE  53  -1.633   3.162   6.078
  436    HA   ILE  53           HA       ILE  53  -3.470   1.560   7.690
  437    HB   ILE  53           HB       ILE  53  -3.070   4.560   7.881
  438   1HG1  ILE  53          1HG1      ILE  53  -2.540   2.409   9.961
  439   2HG1  ILE  53          2HG1      ILE  53  -1.324   3.360   9.123
  440   1HG2  ILE  53          1HG2      ILE  53  -5.037   2.761   9.340
  441   2HG2  ILE  53          2HG2      ILE  53  -5.433   3.946   8.097
  442   3HG2  ILE  53          3HG2      ILE  53  -4.819   4.482   9.661
  443   1HD1  ILE  53          1HD1      ILE  53  -1.645   4.142  11.396
  444   2HD1  ILE  53          2HD1      ILE  53  -3.361   4.406  11.079
  445   3HD1  ILE  53          3HD1      ILE  53  -2.151   5.374  10.239
  446    H    ILE  54           H        ILE  54  -5.326   1.374   6.558
  447    HA   ILE  54           HA       ILE  54  -5.491   2.513   3.926
  448    HB   ILE  54           HB       ILE  54  -7.621   1.027   5.511
  449   1HG1  ILE  54          1HG1      ILE  54  -5.625  -0.370   5.344
  450   2HG1  ILE  54          2HG1      ILE  54  -6.890  -1.008   4.306
  451   1HG2  ILE  54          1HG2      ILE  54  -7.376   1.387   2.531
  452   2HG2  ILE  54          2HG2      ILE  54  -8.514   2.234   3.576
  453   3HG2  ILE  54          3HG2      ILE  54  -8.637   0.486   3.374
  454   1HD1  ILE  54          1HD1      ILE  54  -5.767  -0.012   2.365
  455   2HD1  ILE  54          2HD1      ILE  54  -4.727  -1.140   3.233
  456   3HD1  ILE  54          3HD1      ILE  54  -4.495   0.597   3.426
  457    H    GLY  55           H        GLY  55  -6.994   3.148   7.023
  458   1HA   GLY  55          1HA       GLY  55  -7.675   5.364   7.615
  459   2HA   GLY  55          2HA       GLY  55  -7.963   5.683   5.901
  460    H    ILE  56           H        ILE  56  -9.138   3.269   5.341
  461    HA   ILE  56           HA       ILE  56 -11.812   3.697   6.412
  462    HB   ILE  56           HB       ILE  56 -10.881   1.768   4.266
  463   1HG1  ILE  56          1HG1      ILE  56 -12.213   4.476   3.904
  464   2HG1  ILE  56          2HG1      ILE  56 -10.540   4.089   3.520
  465   1HG2  ILE  56          1HG2      ILE  56 -13.652   2.652   5.090
  466   2HG2  ILE  56          2HG2      ILE  56 -12.947   1.049   5.304
  467   3HG2  ILE  56          3HG2      ILE  56 -13.299   1.651   3.684
  468   1HD1  ILE  56          1HD1      ILE  56 -12.972   2.902   2.208
  469   2HD1  ILE  56          2HD1      ILE  56 -11.293   2.535   1.808
  470   3HD1  ILE  56          3HD1      ILE  56 -11.931   4.157   1.533
  471    HA   PRO  57           HA       PRO  57 -10.766   0.267   9.144
  472   1HB   PRO  57          1HB       PRO  57 -13.634   0.443   9.832
  473   2HB   PRO  57          2HB       PRO  57 -12.226   0.569  10.892
  474   1HG   PRO  57          1HG       PRO  57 -13.691   2.727  10.310
  475   2HG   PRO  57          2HG       PRO  57 -11.926   2.821  10.450
  476   1HD   PRO  57          1HD       PRO  57 -13.619   2.701   7.983
  477   2HD   PRO  57          2HD       PRO  57 -12.199   3.713   8.349
  478    HA   PRO  58           HA       PRO  58 -12.917  -2.668   6.422
  479   1HB   PRO  58          1HB       PRO  58 -10.759  -4.189   5.897
  480   2HB   PRO  58          2HB       PRO  58 -11.022  -2.636   5.102
  481   1HG   PRO  58          1HG       PRO  58  -8.969  -3.356   7.052
  482   2HG   PRO  58          2HG       PRO  58  -9.105  -1.892   6.068
  483   1HD   PRO  58          1HD       PRO  58  -9.904  -2.330   8.861
  484   2HD   PRO  58          2HD       PRO  58  -9.653  -0.811   7.967
  485    H    VAL  59           H        VAL  59 -12.746  -5.170   6.417
  486    HA   VAL  59           HA       VAL  59 -13.161  -6.118   9.081
  487    HB   VAL  59           HB       VAL  59 -13.036  -7.672   6.471
  488   1HG1  VAL  59          1HG1      VAL  59 -14.338  -9.375   7.659
  489   2HG1  VAL  59          2HG1      VAL  59 -14.245  -8.415   9.135
  490   3HG1  VAL  59          3HG1      VAL  59 -12.777  -9.095   8.429
  491   1HG2  VAL  59          1HG2      VAL  59 -15.417  -6.508   7.908
  492   2HG2  VAL  59          2HG2      VAL  59 -15.494  -7.548   6.489
  493   3HG2  VAL  59          3HG2      VAL  59 -14.752  -5.951   6.372
  494    HA   PRO  60           HA       PRO  60  -8.687  -6.756   9.272
  495   1HB   PRO  60          1HB       PRO  60  -9.102  -7.808  11.960
  496   2HB   PRO  60          2HB       PRO  60  -8.292  -6.324  11.458
  497   1HG   PRO  60          1HG       PRO  60 -10.662  -6.312  12.750
  498   2HG   PRO  60          2HG       PRO  60 -10.229  -5.089  11.543
  499   1HD   PRO  60          1HD       PRO  60 -11.957  -7.511  11.254
  500   2HD   PRO  60          2HD       PRO  60 -12.212  -5.844  10.678
  501    H    ILE  61           H        ILE  61  -9.791  -8.931   7.834
  502    HA   ILE  61           HA       ILE  61  -8.594 -11.185   9.281
  503    HB   ILE  61           HB       ILE  61 -10.690 -11.200   7.065
  504   1HG1  ILE  61          1HG1      ILE  61 -10.916 -12.007   9.972
  505   2HG1  ILE  61          2HG1      ILE  61 -11.572 -10.537   9.273
  506   1HG2  ILE  61          1HG2      ILE  61 -10.805 -13.644   7.397
  507   2HG2  ILE  61          2HG2      ILE  61  -9.489 -13.542   8.566
  508   3HG2  ILE  61          3HG2      ILE  61  -9.193 -13.147   6.873
  509   1HD1  ILE  61          1HD1      ILE  61 -12.405 -13.353   8.598
  510   2HD1  ILE  61          2HD1      ILE  61 -13.076 -11.886   7.884
  511   3HD1  ILE  61          3HD1      ILE  61 -13.299 -12.213   9.604
  512    H    GLY  62           H        GLY  62  -7.142 -12.566   7.904
  513   1HA   GLY  62          1HA       GLY  62  -6.499 -12.361   5.326
  514   2HA   GLY  62          2HA       GLY  62  -5.843 -10.868   5.994
  515    H    ILE  63           H        ILE  63  -4.123 -12.488   4.766
  516    HA   ILE  63           HA       ILE  63  -2.661 -13.680   7.000
  517    HB   ILE  63           HB       ILE  63  -2.496 -14.532   4.093
  518   1HG1  ILE  63          1HG1      ILE  63  -3.835 -15.961   6.401
  519   2HG1  ILE  63          2HG1      ILE  63  -4.685 -15.105   5.120
  520   1HG2  ILE  63          1HG2      ILE  63  -1.360 -15.775   6.610
  521   2HG2  ILE  63          2HG2      ILE  63  -0.440 -14.893   5.397
  522   3HG2  ILE  63          3HG2      ILE  63  -1.203 -16.429   4.978
  523   1HD1  ILE  63          1HD1      ILE  63  -2.924 -17.511   4.781
  524   2HD1  ILE  63          2HD1      ILE  63  -3.760 -16.660   3.483
  525   3HD1  ILE  63          3HD1      ILE  63  -4.686 -17.491   4.733
  526    H    ASP  64           H        ASP  64  -1.523 -11.799   7.415
  527    HA   ASP  64           HA       ASP  64   0.037 -10.586   5.276
  528   1HB   ASP  64          1HB       ASP  64  -0.175  -9.880   8.221
  529   2HB   ASP  64          2HB       ASP  64   0.829  -9.015   7.067
  530    H    GLU  65           H        GLU  65   1.639 -11.843   4.724
  531    HA   GLU  65           HA       GLU  65   3.026 -13.495   6.618
  532   1HB   GLU  65          1HB       GLU  65   3.367 -13.030   3.669
  533   2HB   GLU  65          2HB       GLU  65   4.338 -14.163   4.600
  534   1HG   GLU  65          1HG       GLU  65   1.347 -14.293   4.424
  535   2HG   GLU  65          2HG       GLU  65   2.424 -15.155   3.329
  536    H    GLU  66           H        GLU  66   4.255 -11.253   4.196
  537    HA   GLU  66           HA       GLU  66   5.885  -9.835   6.010
  538   1HB   GLU  66          1HB       GLU  66   7.209 -11.944   5.872
  539   2HB   GLU  66          2HB       GLU  66   7.188 -11.853   4.124
  540   1HG   GLU  66          1HG       GLU  66   9.361 -11.238   5.153
  541   2HG   GLU  66          2HG       GLU  66   8.685  -9.967   4.147
  542    H    ARG  67           H        ARG  67   7.321  -8.412   4.596
  543    HA   ARG  67           HA       ARG  67   5.682  -7.017   2.709
  544   1HB   ARG  67          1HB       ARG  67   7.679  -6.350   4.377
  545   2HB   ARG  67          2HB       ARG  67   8.622  -6.625   2.940
  546   1HG   ARG  67          1HG       ARG  67   6.400  -4.624   3.247
  547   2HG   ARG  67          2HG       ARG  67   8.125  -4.284   3.225
  548   1HD   ARG  67          1HD       ARG  67   8.090  -5.371   0.918
  549   2HD   ARG  67          2HD       ARG  67   6.341  -5.170   0.981
  550    HE   ARG  67           HE       ARG  67   8.369  -3.109   0.787
  551   1HH1  ARG  67          1HH1      ARG  67   4.871  -3.656   1.287
  552   2HH1  ARG  67          2HH1      ARG  67   4.496  -2.034   0.835
  553   1HH2  ARG  67          1HH2      ARG  67   7.721  -0.922   0.207
  554   2HH2  ARG  67          2HH2      ARG  67   6.048  -0.590   0.192
  555    H    SER  68           H        SER  68   8.224  -9.334   2.650
  556    HA   SER  68           HA       SER  68   8.616  -9.138  -0.207
  557   1HB   SER  68          1HB       SER  68  10.135 -10.665   1.891
  558   2HB   SER  68          2HB       SER  68  10.632 -10.379   0.214
  559    HG   SER  68           HG       SER  68  11.300  -8.545   0.732
  560    H    THR  69           H        THR  69   6.318 -10.233   0.969
  561    HA   THR  69           HA       THR  69   6.227 -12.843  -0.315
  562    HB   THR  69           HB       THR  69   5.208 -12.490   2.520
  563    HG1  THR  69           HG1      THR  69   7.724 -13.426   1.591
  564   1HG2  THR  69          1HG2      THR  69   5.162 -14.955   2.532
  565   2HG2  THR  69          2HG2      THR  69   5.790 -14.973   0.885
  566   3HG2  THR  69          3HG2      THR  69   4.188 -14.308   1.211
  567    H    VAL  70           H        VAL  70   3.865 -13.370  -0.642
  568    HA   VAL  70           HA       VAL  70   2.421 -10.929  -1.055
  569    HB   VAL  70           HB       VAL  70   0.582 -12.286  -1.949
  570   1HG1  VAL  70          1HG1      VAL  70   3.260 -13.043  -3.066
  571   2HG1  VAL  70          2HG1      VAL  70   2.286 -11.631  -3.483
  572   3HG1  VAL  70          3HG1      VAL  70   1.717 -13.248  -3.892
  573   1HG2  VAL  70          1HG2      VAL  70   2.283 -14.676  -1.248
  574   2HG2  VAL  70          2HG2      VAL  70   0.834 -14.720  -2.248
  575   3HG2  VAL  70          3HG2      VAL  70   0.720 -14.256  -0.551
  576    H    MET  71           H        MET  71   1.478  -9.909   0.385
  577    HA   MET  71           HA       MET  71   0.306 -11.345   2.615
  578   1HB   MET  71          1HB       MET  71  -0.115  -9.080   3.617
  579   2HB   MET  71          2HB       MET  71   1.581  -9.367   3.276
  580   1HG   MET  71          1HG       MET  71   1.425  -7.968   1.285
  581   2HG   MET  71          2HG       MET  71  -0.294  -7.731   1.575
  582   1HE   MET  71          1HE       MET  71   3.321  -7.126   2.907
  583   2HE   MET  71          2HE       MET  71   2.550  -7.796   4.352
  584   3HE   MET  71          3HE       MET  71   3.044  -6.106   4.313
  585    H    ILE  72           H        ILE  72  -1.502 -12.302   1.918
  586    HA   ILE  72           HA       ILE  72  -3.307 -10.692   0.295
  587    HB   ILE  72           HB       ILE  72  -3.426 -13.699   0.757
  588   1HG1  ILE  72          1HG1      ILE  72  -2.409 -12.164  -1.653
  589   2HG1  ILE  72          2HG1      ILE  72  -1.394 -13.039  -0.514
  590   1HG2  ILE  72          1HG2      ILE  72  -4.857 -11.916  -1.234
  591   2HG2  ILE  72          2HG2      ILE  72  -5.586 -12.635   0.197
  592   3HG2  ILE  72          3HG2      ILE  72  -5.022 -13.669  -1.118
  593   1HD1  ILE  72          1HD1      ILE  72  -3.466 -14.244  -2.339
  594   2HD1  ILE  72          2HD1      ILE  72  -2.459 -15.137  -1.197
  595   3HD1  ILE  72          3HD1      ILE  72  -1.717 -14.301  -2.560
  596    HA   PRO  73           HA       PRO  73  -5.440 -10.816   4.157
  597   1HB   PRO  73          1HB       PRO  73  -6.315  -8.219   4.066
  598   2HB   PRO  73          2HB       PRO  73  -4.766  -8.729   4.739
  599   1HG   PRO  73          1HG       PRO  73  -5.251  -7.187   2.355
  600   2HG   PRO  73          2HG       PRO  73  -3.699  -7.641   3.073
  601   1HD   PRO  73          1HD       PRO  73  -5.149  -8.875   0.826
  602   2HD   PRO  73          2HD       PRO  73  -3.432  -8.982   1.278
  603    H    TYR  74           H        TYR  74  -7.634 -10.213   4.749
  604    HA   TYR  74           HA       TYR  74  -9.533 -10.390   2.552
  605   1HB   TYR  74          1HB       TYR  74  -9.126 -12.526   3.963
  606   2HB   TYR  74          2HB       TYR  74  -9.798 -11.598   5.299
  607    HD1  TYR  74           HD1      TYR  74 -10.615 -12.654   1.835
  608    HD2  TYR  74           HD2      TYR  74 -12.109 -11.712   5.699
  609    HE1  TYR  74           HE1      TYR  74 -12.850 -13.342   1.133
  610    HE2  TYR  74           HE2      TYR  74 -14.355 -12.401   5.002
  611    HH   TYR  74           HH       TYR  74 -15.570 -12.514   2.753
  612    H    THR  75           H        THR  75  -8.505  -8.117   3.416
  613    HA   THR  75           HA       THR  75 -10.245  -7.122   5.424
  614    HB   THR  75           HB       THR  75  -8.841  -5.033   5.035
  615    HG1  THR  75           HG1      THR  75  -6.605  -5.962   4.272
  616   1HG2  THR  75          1HG2      THR  75  -6.987  -5.861   6.455
  617   2HG2  THR  75          2HG2      THR  75  -7.497  -7.517   6.121
  618   3HG2  THR  75          3HG2      THR  75  -8.559  -6.432   7.015
  619    H    LYS  76           H        LYS  76 -12.091  -6.427   4.648
  620    HA   LYS  76           HA       LYS  76 -12.174  -5.458   1.892
  621   1HB   LYS  76          1HB       LYS  76 -13.716  -7.307   2.423
  622   2HB   LYS  76          2HB       LYS  76 -14.497  -6.287   3.630
  623   1HG   LYS  76          1HG       LYS  76 -15.121  -4.691   1.859
  624   2HG   LYS  76          2HG       LYS  76 -14.377  -5.747   0.662
  625   1HD   LYS  76          1HD       LYS  76 -16.732  -6.132   0.611
  626   2HD   LYS  76          2HD       LYS  76 -15.976  -7.529   1.368
  627   1HE   LYS  76          1HE       LYS  76 -17.997  -6.900   2.558
  628   2HE   LYS  76          2HE       LYS  76 -16.589  -6.652   3.586
  629   1HZ   LYS  76          1HZ       LYS  76 -17.999  -4.499   2.074
  630   2HZ   LYS  76          2HZ       LYS  76 -16.732  -4.284   3.186
  631   3HZ   LYS  76          3HZ       LYS  76 -18.203  -4.834   3.701
  632    HA   PRO  77           HA       PRO  77 -13.126  -1.571   3.875
  633   1HB   PRO  77          1HB       PRO  77 -11.558  -0.080   2.132
  634   2HB   PRO  77          2HB       PRO  77 -10.975  -0.761   3.651
  635   1HG   PRO  77          1HG       PRO  77 -10.196  -1.493   0.998
  636   2HG   PRO  77          2HG       PRO  77  -9.666  -2.218   2.522
  637   1HD   PRO  77          1HD       PRO  77 -11.746  -3.138   0.618
  638   2HD   PRO  77          2HD       PRO  77 -10.762  -4.066   1.774
  639    H    CYS  78           H        CYS  78 -13.497   0.662   2.279
  640    HA   CYS  78           HA       CYS  78 -15.509  -0.259   0.393
  641   1HB   CYS  78          1HB       CYS  78 -16.185   1.317   2.190
  642   2HB   CYS  78          2HB       CYS  78 -15.022   2.483   1.590
  643    HG   CYS  78           HG       CYS  78 -16.341   2.589  -0.923
  644    H    TYR  79           H        TYR  79 -12.479   0.023   0.167
  645    HA   TYR  79           HA       TYR  79 -12.435   1.499  -2.371
  646   1HB   TYR  79          1HB       TYR  79 -10.954   2.515  -0.643
  647   2HB   TYR  79          2HB       TYR  79 -10.109   0.988  -0.473
  648    HD1  TYR  79           HD1      TYR  79  -8.272   0.475  -1.898
  649    HD2  TYR  79           HD2      TYR  79 -10.825   3.738  -2.847
  650    HE1  TYR  79           HE1      TYR  79  -6.698   1.186  -3.649
  651    HE2  TYR  79           HE2      TYR  79  -9.256   4.461  -4.604
  652    HH   TYR  79           HH       TYR  79  -6.667   2.490  -5.676
  653    H    GLY  80           H        GLY  80 -10.129  -0.888  -0.990
  654   1HA   GLY  80          1HA       GLY  80 -11.023  -3.106  -2.410
  655   2HA   GLY  80          2HA       GLY  80  -9.753  -2.293  -3.327
  656    H    THR  81           H        THR  81  -9.301  -4.813  -2.343
  657    HA   THR  81           HA       THR  81  -7.866  -4.487   0.154
  658    HB   THR  81           HB       THR  81  -8.198  -6.992  -1.494
  659    HG1  THR  81           HG1      THR  81  -9.875  -6.161   0.663
  660   1HG2  THR  81          1HG2      THR  81  -6.542  -7.097   0.315
  661   2HG2  THR  81          2HG2      THR  81  -7.935  -8.114   0.700
  662   3HG2  THR  81          3HG2      THR  81  -7.753  -6.538   1.466
  663    H    ALA  82           H        ALA  82  -5.630  -5.154   0.282
  664    HA   ALA  82           HA       ALA  82  -4.285  -4.617  -2.255
  665   1HB   ALA  82          1HB       ALA  82  -2.650  -3.398  -0.956
  666   2HB   ALA  82          2HB       ALA  82  -3.605  -3.688   0.501
  667   3HB   ALA  82          3HB       ALA  82  -4.276  -2.735  -0.825
  668    H    VAL  83           H        VAL  83  -2.669  -6.022  -2.785
  669    HA   VAL  83           HA       VAL  83  -1.381  -7.627  -0.684
  670    HB   VAL  83           HB       VAL  83  -1.834  -8.476  -3.569
  671   1HG1  VAL  83          1HG1      VAL  83  -1.194 -10.691  -2.809
  672   2HG1  VAL  83          2HG1      VAL  83  -1.015 -10.084  -1.165
  673   3HG1  VAL  83          3HG1      VAL  83   0.066  -9.515  -2.431
  674   1HG2  VAL  83          1HG2      VAL  83  -3.468  -9.297  -1.168
  675   2HG2  VAL  83          2HG2      VAL  83  -3.558 -10.053  -2.757
  676   3HG2  VAL  83          3HG2      VAL  83  -4.031  -8.365  -2.555
  677    H    VAL  84           H        VAL  84   0.826  -7.363  -0.726
  678    HA   VAL  84           HA       VAL  84   2.071  -6.249  -3.144
  679    HB   VAL  84           HB       VAL  84   3.524  -4.716  -1.792
  680   1HG1  VAL  84          1HG1      VAL  84   1.955  -3.106  -0.977
  681   2HG1  VAL  84          2HG1      VAL  84   0.660  -4.298  -1.098
  682   3HG1  VAL  84          3HG1      VAL  84   1.501  -3.756  -2.551
  683   1HG2  VAL  84          1HG2      VAL  84   3.211  -4.427   0.610
  684   2HG2  VAL  84          2HG2      VAL  84   3.672  -6.093   0.249
  685   3HG2  VAL  84          3HG2      VAL  84   1.995  -5.704   0.622
  686    H    GLU  85           H        GLU  85   4.201  -7.056  -3.500
  687    HA   GLU  85           HA       GLU  85   5.313  -8.845  -1.509
  688   1HB   GLU  85          1HB       GLU  85   3.899 -10.366  -2.820
  689   2HB   GLU  85          2HB       GLU  85   4.659  -9.808  -4.309
  690   1HG   GLU  85          1HG       GLU  85   6.837 -10.622  -3.434
  691   2HG   GLU  85          2HG       GLU  85   5.976 -11.283  -2.049
  692    H    LEU  86           H        LEU  86   7.330  -8.217  -1.360
  693    HA   LEU  86           HA       LEU  86   8.651  -7.069  -3.692
  694   1HB   LEU  86          1HB       LEU  86   8.712  -5.936  -1.440
  695   2HB   LEU  86          2HB       LEU  86   9.622  -7.300  -0.832
  696    HG   LEU  86           HG       LEU  86  11.331  -6.749  -2.631
  697   1HD1  LEU  86          1HD1      LEU  86  11.421  -4.420  -3.359
  698   2HD1  LEU  86          2HD1      LEU  86   9.801  -4.176  -2.702
  699   3HD1  LEU  86          3HD1      LEU  86  10.062  -5.321  -4.017
  700   1HD2  LEU  86          1HD2      LEU  86  12.380  -4.991  -1.231
  701   2HD2  LEU  86          2HD2      LEU  86  11.783  -6.361  -0.301
  702   3HD2  LEU  86          3HD2      LEU  86  10.866  -4.857  -0.334
  703    HA   PRO  87           HA       PRO  87  10.652 -11.145  -4.029
  704   1HB   PRO  87          1HB       PRO  87  12.326 -10.631  -6.085
  705   2HB   PRO  87          2HB       PRO  87  10.586 -10.827  -6.328
  706   1HG   PRO  87          1HG       PRO  87  12.200  -8.318  -6.146
  707   2HG   PRO  87          2HG       PRO  87  10.877  -8.723  -7.253
  708   1HD   PRO  87          1HD       PRO  87  10.555  -7.174  -5.022
  709   2HD   PRO  87          2HD       PRO  87   9.257  -8.163  -5.719
  710    H    VAL  88           H        VAL  88  12.009  -8.278  -3.129
  711    HA   VAL  88           HA       VAL  88  14.700  -9.339  -2.614
  712    HB   VAL  88           HB       VAL  88  13.730  -6.531  -2.107
  713   1HG1  VAL  88          1HG1      VAL  88  16.100  -5.924  -2.390
  714   2HG1  VAL  88          2HG1      VAL  88  16.479  -7.630  -2.606
  715   3HG1  VAL  88          3HG1      VAL  88  15.825  -7.059  -1.066
  716   1HG2  VAL  88          1HG2      VAL  88  14.625  -5.835  -4.305
  717   2HG2  VAL  88          2HG2      VAL  88  13.265  -6.946  -4.459
  718   3HG2  VAL  88          3HG2      VAL  88  14.910  -7.530  -4.703
  719    H    ASP  89           H        ASP  89  15.464  -9.038  -0.386
  720    HA   ASP  89           HA       ASP  89  13.573  -9.881   1.522
  721   1HB   ASP  89          1HB       ASP  89  16.397  -8.873   1.875
  722   2HB   ASP  89          2HB       ASP  89  15.455  -9.612   3.166
  723    HA   PRO  90           HA       PRO  90  11.646  -6.279   3.146
  724   1HB   PRO  90          1HB       PRO  90  11.650  -6.787   5.846
  725   2HB   PRO  90          2HB       PRO  90  10.527  -7.528   4.701
  726   1HG   PRO  90          1HG       PRO  90  13.062  -8.620   5.854
  727   2HG   PRO  90          2HG       PRO  90  11.505  -9.431   5.610
  728   1HD   PRO  90          1HD       PRO  90  13.544  -9.820   3.938
  729   2HD   PRO  90          2HD       PRO  90  11.875  -9.726   3.335
  730    H    GLU  91           H        GLU  91  14.799  -7.065   4.151
  731    HA   GLU  91           HA       GLU  91  15.469  -4.958   5.854
  732   1HB   GLU  91          1HB       GLU  91  17.799  -5.353   5.131
  733   2HB   GLU  91          2HB       GLU  91  16.961  -6.835   5.554
  734   1HG   GLU  91          1HG       GLU  91  16.567  -7.259   3.164
  735   2HG   GLU  91          2HG       GLU  91  17.484  -5.823   2.764
  736    H    GLU  92           H        GLU  92  14.929  -4.982   2.433
  737    HA   GLU  92           HA       GLU  92  16.299  -2.497   1.937
  738   1HB   GLU  92          1HB       GLU  92  14.443  -4.189   0.308
  739   2HB   GLU  92          2HB       GLU  92  14.844  -2.558  -0.210
  740   1HG   GLU  92          1HG       GLU  92  16.821  -4.764   0.304
  741   2HG   GLU  92          2HG       GLU  92  16.235  -4.237  -1.278
  742    H    ILE  93           H        ILE  93  13.208  -3.489   2.967
  743    HA   ILE  93           HA       ILE  93  11.990  -0.993   2.334
  744    HB   ILE  93           HB       ILE  93  10.930  -3.311   3.976
  745   1HG1  ILE  93          1HG1      ILE  93  11.394  -3.943   1.695
  746   2HG1  ILE  93          2HG1      ILE  93   9.655  -3.824   1.910
  747   1HG2  ILE  93          1HG2      ILE  93   9.459  -0.931   2.808
  748   2HG2  ILE  93          2HG2      ILE  93   9.787  -1.183   4.520
  749   3HG2  ILE  93          3HG2      ILE  93   8.711  -2.285   3.659
  750   1HD1  ILE  93          1HD1      ILE  93  10.266  -2.872  -0.225
  751   2HD1  ILE  93          2HD1      ILE  93  11.460  -1.836   0.532
  752   3HD1  ILE  93          3HD1      ILE  93   9.744  -1.565   0.841
  753    H    GLU  94           H        GLU  94  13.638  -2.415   5.017
  754    HA   GLU  94           HA       GLU  94  12.811  -0.536   6.962
  755   1HB   GLU  94          1HB       GLU  94  15.425  -2.052   6.731
  756   2HB   GLU  94          2HB       GLU  94  14.864  -1.215   8.174
  757   1HG   GLU  94          1HG       GLU  94  13.566  -3.584   6.857
  758   2HG   GLU  94          2HG       GLU  94  14.470  -3.588   8.371
  759    H    ARG  95           H        ARG  95  15.297  -0.632   4.576
  760    HA   ARG  95           HA       ARG  95  16.684   1.790   5.070
  761   1HB   ARG  95          1HB       ARG  95  17.636   0.120   3.636
  762   2HB   ARG  95          2HB       ARG  95  16.201   0.086   2.628
  763   1HG   ARG  95          1HG       ARG  95  16.774   2.483   2.002
  764   2HG   ARG  95          2HG       ARG  95  18.343   2.178   2.757
  765   1HD   ARG  95          1HD       ARG  95  18.770   0.348   1.256
  766   2HD   ARG  95          2HD       ARG  95  17.143   0.472   0.589
  767    HE   ARG  95           HE       ARG  95  18.806   2.817   0.382
  768   1HH1  ARG  95          1HH1      ARG  95  17.700  -0.159  -1.281
  769   2HH1  ARG  95          2HH1      ARG  95  17.922   0.486  -2.830
  770   1HH2  ARG  95          1HH2      ARG  95  19.145   3.636  -1.793
  771   2HH2  ARG  95          2HH2      ARG  95  18.794   2.652  -3.137
  772    H    ILE  96           H        ILE  96  14.006   0.927   2.975
  773    HA   ILE  96           HA       ILE  96  13.629   3.546   1.927
  774    HB   ILE  96           HB       ILE  96  12.022   0.994   1.751
  775   1HG1  ILE  96          1HG1      ILE  96  13.743   2.425  -0.278
  776   2HG1  ILE  96          2HG1      ILE  96  14.193   0.987   0.628
  777   1HG2  ILE  96          1HG2      ILE  96  11.498   3.554   0.252
  778   2HG2  ILE  96          2HG2      ILE  96  10.460   2.844   1.490
  779   3HG2  ILE  96          3HG2      ILE  96  10.700   2.008  -0.045
  780   1HD1  ILE  96          1HD1      ILE  96  11.977   1.178  -1.404
  781   2HD1  ILE  96          2HD1      ILE  96  12.429  -0.271  -0.505
  782   3HD1  ILE  96          3HD1      ILE  96  13.561   0.443  -1.652
  783    H    LEU  97           H        LEU  97  12.472   1.927   4.733
  784    HA   LEU  97           HA       LEU  97  10.206   3.575   5.236
  785   1HB   LEU  97          1HB       LEU  97  10.569   1.310   6.228
  786   2HB   LEU  97          2HB       LEU  97  11.895   1.963   7.162
  787    HG   LEU  97           HG       LEU  97  10.283   3.454   8.330
  788   1HD1  LEU  97          1HD1      LEU  97   8.226   1.861   6.813
  789   2HD1  LEU  97          2HD1      LEU  97   8.552   3.586   6.639
  790   3HD1  LEU  97          3HD1      LEU  97   7.886   2.962   8.144
  791   1HD2  LEU  97          1HD2      LEU  97   9.285   1.692   9.710
  792   2HD2  LEU  97          2HD2      LEU  97  10.968   1.332   9.321
  793   3HD2  LEU  97          3HD2      LEU  97   9.670   0.502   8.464
  794    H    GLU  98           H        GLU  98  13.603   3.754   5.784
  795    HA   GLU  98           HA       GLU  98  13.645   5.911   7.664
  796   1HB   GLU  98          1HB       GLU  98  15.501   4.230   7.089
  797   2HB   GLU  98          2HB       GLU  98  15.703   5.136   5.605
  798   1HG   GLU  98          1HG       GLU  98  17.388   5.834   7.142
  799   2HG   GLU  98          2HG       GLU  98  16.228   7.145   6.934
  800    H    VAL  99           H        VAL  99  13.344   5.453   4.307
  801    HA   VAL  99           HA       VAL  99  13.662   8.271   3.608
  802    HB   VAL  99           HB       VAL  99  13.537   5.784   1.861
  803   1HG1  VAL  99          1HG1      VAL  99  14.395   8.607   1.122
  804   2HG1  VAL  99          2HG1      VAL  99  12.900   7.826   0.606
  805   3HG1  VAL  99          3HG1      VAL  99  14.453   7.205   0.050
  806   1HG2  VAL  99          1HG2      VAL  99  15.929   7.388   2.737
  807   2HG2  VAL  99          2HG2      VAL  99  15.962   6.068   1.567
  808   3HG2  VAL  99          3HG2      VAL  99  15.502   5.753   3.241
  809    H    ALA 100           H        ALA 100  11.315   6.836   4.917
  810    HA   ALA 100           HA       ALA 100   9.110   6.592   3.314
  811   1HB   ALA 100          1HB       ALA 100   9.131   7.552   6.159
  812   2HB   ALA 100          2HB       ALA 100   9.212   5.867   5.645
  813   3HB   ALA 100          3HB       ALA 100   7.769   6.827   5.304
  814    H    GLU 101           H        GLU 101  10.187   9.486   5.012
  815    HA   GLU 101           HA       GLU 101   7.984  10.958   3.873
  816   1HB   GLU 101          1HB       GLU 101  10.010  11.826   5.911
  817   2HB   GLU 101          2HB       GLU 101   8.631  12.772   5.376
  818   1HG   GLU 101          1HG       GLU 101   7.110  11.134   6.297
  819   2HG   GLU 101          2HG       GLU 101   8.463  10.099   6.743
  820    HA   PRO 102           HA       PRO 102  12.202  13.395   2.492
  821   1HB   PRO 102          1HB       PRO 102  12.987  10.753   1.331
  822   2HB   PRO 102          2HB       PRO 102  14.010  12.188   1.576
  823   1HG   PRO 102          1HG       PRO 102  14.010  10.296   3.399
  824   2HG   PRO 102          2HG       PRO 102  13.923  11.995   3.893
  825   1HD   PRO 102          1HD       PRO 102  11.802   9.923   3.945
  826   2HD   PRO 102          2HD       PRO 102  12.000  11.368   4.957
  Start of MODEL    7
    1    H    HIS   1           H        HIS   1   6.096   7.978 -10.912
    2    HA   HIS   1           HA       HIS   1   3.201   8.395 -11.219
    3   1HB   HIS   1          1HB       HIS   1   4.819   5.997 -10.304
    4   2HB   HIS   1          2HB       HIS   1   3.084   6.151 -10.099
    5    HD1  HIS   1           HD1      HIS   1   5.681   5.204 -12.628
    6    HD2  HIS   1           HD2      HIS   1   1.583   5.935 -12.475
    7    HE1  HIS   1           HE1      HIS   1   4.731   4.259 -14.731
    8    H    MET   2           H        MET   2   2.180   9.108  -9.450
    9    HA   MET   2           HA       MET   2   2.953   8.629  -6.812
   10   1HB   MET   2          1HB       MET   2   3.363  10.930  -6.097
   11   2HB   MET   2          2HB       MET   2   4.674  10.291  -7.087
   12   1HG   MET   2          1HG       MET   2   3.796  11.564  -9.000
   13   2HG   MET   2          2HG       MET   2   2.499  12.185  -7.983
   14   1HE   MET   2          1HE       MET   2   3.142  14.678  -8.675
   15   2HE   MET   2          2HE       MET   2   4.413  14.030  -9.707
   16   3HE   MET   2          3HE       MET   2   4.779  15.328  -8.570
   17    H    THR   3           H        THR   3   1.269   8.884  -5.560
   18    HA   THR   3           HA       THR   3  -0.786  10.773  -6.291
   19    HB   THR   3           HB       THR   3  -1.339   7.835  -5.931
   20    HG1  THR   3           HG1      THR   3  -0.922   9.457  -8.108
   21   1HG2  THR   3          1HG2      THR   3  -3.241  10.130  -6.501
   22   2HG2  THR   3          2HG2      THR   3  -3.133   9.240  -4.987
   23   3HG2  THR   3          3HG2      THR   3  -3.711   8.432  -6.438
   24    H    PHE   4           H        PHE   4  -1.546  11.702  -4.566
   25    HA   PHE   4           HA       PHE   4  -0.999  10.523  -1.952
   26   1HB   PHE   4          1HB       PHE   4  -1.200  13.436  -2.720
   27   2HB   PHE   4          2HB       PHE   4  -0.779  12.793  -1.123
   28    HD1  PHE   4           HD1      PHE   4   1.409  11.857  -0.696
   29    HD2  PHE   4           HD2      PHE   4   0.407  13.281  -4.575
   30    HE1  PHE   4           HE1      PHE   4   3.761  11.664  -1.377
   31    HE2  PHE   4           HE2      PHE   4   2.756  13.096  -5.256
   32    HZ   PHE   4           HZ       PHE   4   4.429  12.266  -3.664
   33    H    CYS   5           H        CYS   5  -3.388  10.986  -4.098
   34    HA   CYS   5           HA       CYS   5  -5.491  11.950  -2.386
   35   1HB   CYS   5          1HB       CYS   5  -5.523  10.725  -5.153
   36   2HB   CYS   5          2HB       CYS   5  -6.902  11.447  -4.338
   37    HG   CYS   5           HG       CYS   5  -4.138  13.338  -4.876
   38    H    LEU   6           H        LEU   6  -6.137  10.674  -0.862
   39    HA   LEU   6           HA       LEU   6  -6.299   7.842  -1.446
   40   1HB   LEU   6          1HB       LEU   6  -6.431   7.501   1.017
   41   2HB   LEU   6          2HB       LEU   6  -4.938   8.232   0.494
   42    HG   LEU   6           HG       LEU   6  -6.165  10.444   1.194
   43   1HD1  LEU   6          1HD1      LEU   6  -7.510   8.419   2.996
   44   2HD1  LEU   6          2HD1      LEU   6  -8.313   9.416   1.786
   45   3HD1  LEU   6          3HD1      LEU   6  -7.568  10.173   3.194
   46   1HD2  LEU   6          1HD2      LEU   6  -4.139   9.842   2.172
   47   2HD2  LEU   6          2HD2      LEU   6  -4.892   8.495   3.029
   48   3HD2  LEU   6          3HD2      LEU   6  -5.261  10.152   3.496
   49    H    GLU   7           H        GLU   7  -8.030  10.575  -0.160
   50    HA   GLU   7           HA       GLU   7 -10.443   9.271   0.468
   51   1HB   GLU   7          1HB       GLU   7  -9.714  11.224   1.635
   52   2HB   GLU   7          2HB       GLU   7  -9.664  12.176   0.181
   53   1HG   GLU   7          1HG       GLU   7 -12.136  11.983   0.058
   54   2HG   GLU   7          2HG       GLU   7 -12.099  11.122   1.601
   55    H    THR   8           H        THR   8  -9.138  10.121  -2.471
   56    HA   THR   8           HA       THR   8 -11.502  10.800  -3.805
   57    HB   THR   8           HB       THR   8 -10.040  10.052  -5.819
   58    HG1  THR   8           HG1      THR   8  -8.316   9.038  -5.203
   59   1HG2  THR   8          1HG2      THR   8  -8.730  12.133  -5.689
   60   2HG2  THR   8          2HG2      THR   8  -9.106  12.260  -3.971
   61   3HG2  THR   8          3HG2      THR   8 -10.393  12.402  -5.167
   62    H    TYR   9           H        TYR   9  -9.942   7.882  -2.777
   63    HA   TYR   9           HA       TYR   9 -11.360   6.135  -4.534
   64   1HB   TYR   9          1HB       TYR   9  -9.559   5.659  -2.182
   65   2HB   TYR   9          2HB       TYR   9 -10.360   4.332  -3.022
   66    HD1  TYR   9           HD1      TYR   9  -7.579   6.614  -3.052
   67    HD2  TYR   9           HD2      TYR   9  -9.976   4.112  -5.510
   68    HE1  TYR   9           HE1      TYR   9  -5.866   6.703  -4.815
   69    HE2  TYR   9           HE2      TYR   9  -8.272   4.184  -7.265
   70    HH   TYR   9           HH       TYR   9  -5.173   5.331  -6.749
   71    H    LEU  10           H        LEU  10 -11.790   7.365  -1.351
   72    HA   LEU  10           HA       LEU  10 -13.756   5.709  -0.338
   73   1HB   LEU  10          1HB       LEU  10 -12.776   7.437   1.002
   74   2HB   LEU  10          2HB       LEU  10 -13.284   8.672  -0.118
   75    HG   LEU  10           HG       LEU  10 -15.629   8.315   0.538
   76   1HD1  LEU  10          1HD1      LEU  10 -14.519   6.434   2.606
   77   2HD1  LEU  10          2HD1      LEU  10 -15.474   5.975   1.197
   78   3HD1  LEU  10          3HD1      LEU  10 -16.185   6.982   2.456
   79   1HD2  LEU  10          1HD2      LEU  10 -15.465   9.318   2.748
   80   2HD2  LEU  10          2HD2      LEU  10 -14.282  10.022   1.644
   81   3HD2  LEU  10          3HD2      LEU  10 -13.775   8.835   2.848
   82    H    GLN  11           H        GLN  11 -13.900   8.414  -2.489
   83    HA   GLN  11           HA       GLN  11 -16.739   8.658  -2.706
   84   1HB   GLN  11          1HB       GLN  11 -14.523   9.743  -4.423
   85   2HB   GLN  11          2HB       GLN  11 -16.187  10.320  -4.375
   86   1HG   GLN  11          1HG       GLN  11 -15.924  11.130  -2.153
   87   2HG   GLN  11          2HG       GLN  11 -14.367  10.328  -1.984
   88   1HE2  GLN  11          1HE2      GLN  11 -13.272  12.118  -1.513
   89   2HE2  GLN  11          2HE2      GLN  11 -12.955  13.419  -2.594
   90    H    GLN  12           H        GLN  12 -14.455   6.577  -4.071
   91    HA   GLN  12           HA       GLN  12 -16.032   6.183  -6.470
   92   1HB   GLN  12          1HB       GLN  12 -13.288   5.181  -5.760
   93   2HB   GLN  12          2HB       GLN  12 -14.131   4.780  -7.250
   94   1HG   GLN  12          1HG       GLN  12 -14.186   7.130  -7.868
   95   2HG   GLN  12          2HG       GLN  12 -13.381   7.551  -6.359
   96   1HE2  GLN  12          1HE2      GLN  12 -12.577   7.972  -9.108
   97   2HE2  GLN  12          2HE2      GLN  12 -11.034   7.225  -9.280
   98    H    SER  13           H        SER  13 -15.061   4.538  -3.542
   99    HA   SER  13           HA       SER  13 -17.148   2.587  -3.942
  100   1HB   SER  13          1HB       SER  13 -14.258   1.656  -3.723
  101   2HB   SER  13          2HB       SER  13 -15.672   0.604  -3.660
  102    HG   SER  13           HG       SER  13 -15.995   2.000  -5.775
  103    H    GLY  14           H        GLY  14 -14.190   2.913  -2.027
  104   1HA   GLY  14          1HA       GLY  14 -15.536   3.602   0.342
  105   2HA   GLY  14          2HA       GLY  14 -15.021   1.907   0.334
  106    H    GLU  15           H        GLU  15 -13.828   3.698   2.079
  107    HA   GLU  15           HA       GLU  15 -11.447   4.623   0.753
  108   1HB   GLU  15          1HB       GLU  15 -12.593   5.980   2.477
  109   2HB   GLU  15          2HB       GLU  15 -12.224   4.786   3.696
  110   1HG   GLU  15          1HG       GLU  15 -10.727   6.691   3.762
  111   2HG   GLU  15          2HG       GLU  15  -9.854   5.205   3.371
  112    H    TYR  16           H        TYR  16  -9.343   3.895   1.284
  113    HA   TYR  16           HA       TYR  16  -9.240   1.193   2.498
  114   1HB   TYR  16          1HB       TYR  16  -9.322   1.070  -0.012
  115   2HB   TYR  16          2HB       TYR  16  -7.848   2.022  -0.076
  116    HD1  TYR  16           HD1      TYR  16  -9.214  -1.146   1.267
  117    HD2  TYR  16           HD2      TYR  16  -5.761   0.903  -0.124
  118    HE1  TYR  16           HE1      TYR  16  -7.942  -3.222   1.390
  119    HE2  TYR  16           HE2      TYR  16  -4.467  -1.193  -0.003
  120    HH   TYR  16           HH       TYR  16  -6.030  -4.149   0.321
  121    H    GLU  17           H        GLU  17  -8.522   3.951   3.277
  122    HA   GLU  17           HA       GLU  17  -5.773   3.659   4.079
  123   1HB   GLU  17          1HB       GLU  17  -6.876   6.029   2.539
  124   2HB   GLU  17          2HB       GLU  17  -5.276   5.943   3.229
  125   1HG   GLU  17          1HG       GLU  17  -6.166   4.033   1.078
  126   2HG   GLU  17          2HG       GLU  17  -5.579   5.638   0.681
  127    H    ILE  18           H        ILE  18  -5.499   5.588   5.686
  128    HA   ILE  18           HA       ILE  18  -8.130   6.182   6.747
  129    HB   ILE  18           HB       ILE  18  -6.629   5.065   8.437
  130   1HG1  ILE  18          1HG1      ILE  18  -7.341   7.899   9.228
  131   2HG1  ILE  18          2HG1      ILE  18  -8.465   6.551   9.186
  132   1HG2  ILE  18          1HG2      ILE  18  -4.476   5.840   7.902
  133   2HG2  ILE  18          2HG2      ILE  18  -4.845   6.490   9.506
  134   3HG2  ILE  18          3HG2      ILE  18  -4.963   7.524   8.087
  135   1HD1  ILE  18          1HD1      ILE  18  -6.047   6.774  10.969
  136   2HD1  ILE  18          2HD1      ILE  18  -7.200   5.438  10.952
  137   3HD1  ILE  18          3HD1      ILE  18  -7.721   7.045  11.451
  138    H    HIS  19           H        HIS  19  -8.396   8.464   7.623
  139    HA   HIS  19           HA       HIS  19  -7.585  10.167   5.495
  140   1HB   HIS  19          1HB       HIS  19  -9.338  10.728   7.886
  141   2HB   HIS  19          2HB       HIS  19  -9.054  11.874   6.574
  142    HD1  HIS  19           HD1      HIS  19 -10.153  11.279   4.236
  143    HD2  HIS  19           HD2      HIS  19 -11.064   8.633   7.305
  144    HE1  HIS  19           HE1      HIS  19 -11.985   9.803   3.358
  145    H    MET  20           H        MET  20  -5.558   9.857   5.950
  146    HA   MET  20           HA       MET  20  -4.151  11.879   7.594
  147   1HB   MET  20          1HB       MET  20  -3.769   8.966   7.146
  148   2HB   MET  20          2HB       MET  20  -2.304   9.921   7.249
  149   1HG   MET  20          1HG       MET  20  -4.450   9.980   9.352
  150   2HG   MET  20          2HG       MET  20  -3.156   8.784   9.363
  151   1HE   MET  20          1HE       MET  20   0.045  10.900   9.856
  152   2HE   MET  20          2HE       MET  20  -0.634  10.373   8.323
  153   3HE   MET  20          3HE       MET  20  -0.654   9.287   9.711
  154    H    LYS  21           H        LYS  21  -1.612  11.250   6.209
  155    HA   LYS  21           HA       LYS  21  -2.384  12.115   3.531
  156   1HB   LYS  21          1HB       LYS  21  -0.920  13.638   4.763
  157   2HB   LYS  21          2HB       LYS  21   0.249  12.349   4.997
  158   1HG   LYS  21          1HG       LYS  21   0.616  12.246   2.571
  159   2HG   LYS  21          2HG       LYS  21  -0.542  13.558   2.349
  160   1HD   LYS  21          1HD       LYS  21   1.975  13.761   4.001
  161   2HD   LYS  21          2HD       LYS  21   1.840  14.291   2.329
  162   1HE   LYS  21          1HE       LYS  21   0.161  15.929   2.945
  163   2HE   LYS  21          2HE       LYS  21   0.151  15.343   4.607
  164   1HZ   LYS  21          1HZ       LYS  21   2.539  16.545   3.284
  165   2HZ   LYS  21          2HZ       LYS  21   2.411  16.018   4.839
  166   3HZ   LYS  21          3HZ       LYS  21   1.521  17.353   4.376
  167    H    ARG  22           H        ARG  22  -2.195  10.689   1.921
  168    HA   ARG  22           HA       ARG  22  -0.679   8.271   2.459
  169   1HB   ARG  22          1HB       ARG  22  -2.293   7.194   1.205
  170   2HB   ARG  22          2HB       ARG  22  -3.094   8.727   1.082
  171   1HG   ARG  22          1HG       ARG  22  -2.174   9.232  -0.992
  172   2HG   ARG  22          2HG       ARG  22  -0.963   7.954  -0.883
  173   1HD   ARG  22          1HD       ARG  22  -3.940   7.662  -1.215
  174   2HD   ARG  22          2HD       ARG  22  -2.704   7.374  -2.434
  175    HE   ARG  22           HE       ARG  22  -3.089   5.731   0.001
  176   1HH1  ARG  22          1HH1      ARG  22  -1.869   5.940  -3.361
  177   2HH1  ARG  22          2HH1      ARG  22  -1.528   4.256  -3.399
  178   1HH2  ARG  22          1HH2      ARG  22  -2.690   3.495  -0.206
  179   2HH2  ARG  22          2HH2      ARG  22  -1.870   2.908  -1.625
  180    H    ALA  23           H        ALA  23   1.233   7.845   1.415
  181    HA   ALA  23           HA       ALA  23   1.993   9.762  -0.662
  182   1HB   ALA  23          1HB       ALA  23   3.767   8.372   1.355
  183   2HB   ALA  23          2HB       ALA  23   3.322  10.079   1.375
  184   3HB   ALA  23          3HB       ALA  23   4.321   9.443   0.067
  185    H    GLY  24           H        GLY  24   1.351   8.491  -2.375
  186   1HA   GLY  24          1HA       GLY  24   2.534   5.792  -2.381
  187   2HA   GLY  24          2HA       GLY  24   1.049   6.216  -3.226
  188    H    PHE  25           H        PHE  25   4.581   6.698  -3.173
  189    HA   PHE  25           HA       PHE  25   4.521   8.033  -5.693
  190   1HB   PHE  25          1HB       PHE  25   6.833   6.771  -4.192
  191   2HB   PHE  25          2HB       PHE  25   7.001   7.747  -5.643
  192    HD1  PHE  25           HD1      PHE  25   6.241   7.781  -2.057
  193    HD2  PHE  25           HD2      PHE  25   6.776  10.140  -5.553
  194    HE1  PHE  25           HE1      PHE  25   6.408   9.800  -0.664
  195    HE2  PHE  25           HE2      PHE  25   6.944  12.165  -4.165
  196    HZ   PHE  25           HZ       PHE  25   6.759  11.994  -1.718
  197    H    ARG  26           H        ARG  26   6.059   4.974  -4.809
  198    HA   ARG  26           HA       ARG  26   5.823   4.111  -7.554
  199   1HB   ARG  26          1HB       ARG  26   6.738   2.560  -5.157
  200   2HB   ARG  26          2HB       ARG  26   6.871   2.035  -6.823
  201   1HG   ARG  26          1HG       ARG  26   8.191   4.501  -5.739
  202   2HG   ARG  26          2HG       ARG  26   8.945   2.910  -5.772
  203   1HD   ARG  26          1HD       ARG  26   8.679   2.856  -8.199
  204   2HD   ARG  26          2HD       ARG  26   7.957   4.471  -8.155
  205    HE   ARG  26           HE       ARG  26  10.257   4.873  -6.899
  206   1HH1  ARG  26          1HH1      ARG  26   9.668   3.200  -9.991
  207   2HH1  ARG  26          2HH1      ARG  26  11.196   3.587 -10.617
  208   1HH2  ARG  26          1HH2      ARG  26  12.280   5.397  -7.777
  209   2HH2  ARG  26          2HH2      ARG  26  12.745   4.856  -9.333
  210    H    GLU  27           H        GLU  27   4.113   3.359  -4.448
  211    HA   GLU  27           HA       GLU  27   2.794   1.088  -5.480
  212   1HB   GLU  27          1HB       GLU  27   3.184   1.651  -3.076
  213   2HB   GLU  27          2HB       GLU  27   1.939   2.882  -3.195
  214   1HG   GLU  27          1HG       GLU  27   1.417  -0.042  -3.678
  215   2HG   GLU  27          2HG       GLU  27   1.406   0.640  -2.070
  216    H    CYS  28           H        CYS  28   2.457   4.341  -6.032
  217    HA   CYS  28           HA       CYS  28  -0.172   4.804  -6.614
  218   1HB   CYS  28          1HB       CYS  28   1.438   6.542  -7.027
  219   2HB   CYS  28          2HB       CYS  28   2.262   5.583  -8.239
  220    HG   CYS  28           HG       CYS  28  -0.624   7.382  -8.526
  221    H    ALA  29           H        ALA  29   2.137   2.943  -8.563
  222    HA   ALA  29           HA       ALA  29   0.341   2.415 -10.723
  223   1HB   ALA  29          1HB       ALA  29   2.874   0.976  -9.968
  224   2HB   ALA  29          2HB       ALA  29   2.781   2.383 -11.028
  225   3HB   ALA  29          3HB       ALA  29   2.033   0.860 -11.513
  226    H    ALA  30           H        ALA  30   1.348   0.666  -7.862
  227    HA   ALA  30           HA       ALA  30   0.078  -1.753  -8.366
  228   1HB   ALA  30          1HB       ALA  30   0.341  -2.192  -6.020
  229   2HB   ALA  30          2HB       ALA  30   0.577  -0.475  -5.702
  230   3HB   ALA  30          3HB       ALA  30   1.783  -1.368  -6.624
  231    H    MET  31           H        MET  31  -1.022   1.067  -6.542
  232    HA   MET  31           HA       MET  31  -3.398   0.073  -5.547
  233   1HB   MET  31          1HB       MET  31  -4.212   2.338  -5.251
  234   2HB   MET  31          2HB       MET  31  -2.486   2.306  -4.921
  235   1HG   MET  31          1HG       MET  31  -2.047   3.189  -7.134
  236   2HG   MET  31          2HG       MET  31  -3.768   3.200  -7.474
  237   1HE   MET  31          1HE       MET  31  -2.887   6.915  -7.416
  238   2HE   MET  31          2HE       MET  31  -3.709   5.608  -8.263
  239   3HE   MET  31          3HE       MET  31  -1.963   5.549  -8.040
  240    H    ILE  32           H        ILE  32  -2.839   1.428  -8.732
  241    HA   ILE  32           HA       ILE  32  -5.505   1.567  -9.569
  242    HB   ILE  32           HB       ILE  32  -2.974   1.096 -11.157
  243   1HG1  ILE  32          1HG1      ILE  32  -2.918   3.197  -9.931
  244   2HG1  ILE  32          2HG1      ILE  32  -3.062   3.510 -11.653
  245   1HG2  ILE  32          1HG2      ILE  32  -4.223   1.954 -13.128
  246   2HG2  ILE  32          2HG2      ILE  32  -5.705   1.918 -12.169
  247   3HG2  ILE  32          3HG2      ILE  32  -4.841   0.420 -12.524
  248   1HD1  ILE  32          1HD1      ILE  32  -5.282   3.678  -9.613
  249   2HD1  ILE  32          2HD1      ILE  32  -5.467   3.941 -11.345
  250   3HD1  ILE  32          3HD1      ILE  32  -4.458   5.029 -10.394
  251    H    GLU  33           H        GLU  33  -3.163  -1.030  -9.756
  252    HA   GLU  33           HA       GLU  33  -4.996  -2.782 -11.116
  253   1HB   GLU  33          1HB       GLU  33  -2.251  -3.301  -9.959
  254   2HB   GLU  33          2HB       GLU  33  -3.173  -4.414 -10.969
  255   1HG   GLU  33          1HG       GLU  33  -2.217  -1.706 -11.820
  256   2HG   GLU  33          2HG       GLU  33  -1.470  -3.248 -12.244
  257    H    LYS  34           H        LYS  34  -3.921  -2.217  -7.883
  258    HA   LYS  34           HA       LYS  34  -4.701  -4.547  -6.544
  259   1HB   LYS  34          1HB       LYS  34  -4.318  -1.719  -5.811
  260   2HB   LYS  34          2HB       LYS  34  -5.073  -2.801  -4.653
  261   1HG   LYS  34          1HG       LYS  34  -3.147  -4.120  -4.482
  262   2HG   LYS  34          2HG       LYS  34  -2.429  -3.404  -5.926
  263   1HD   LYS  34          1HD       LYS  34  -1.589  -2.645  -3.623
  264   2HD   LYS  34          2HD       LYS  34  -1.892  -1.426  -4.846
  265   1HE   LYS  34          1HE       LYS  34  -4.137  -0.994  -3.811
  266   2HE   LYS  34          2HE       LYS  34  -3.777  -2.173  -2.560
  267   1HZ   LYS  34          1HZ       LYS  34  -2.010  -0.748  -1.759
  268   2HZ   LYS  34          2HZ       LYS  34  -3.352   0.283  -1.971
  269   3HZ   LYS  34          3HZ       LYS  34  -2.123   0.197  -3.114
  270    H    LYS  35           H        LYS  35  -6.534  -1.867  -7.733
  271    HA   LYS  35           HA       LYS  35  -8.782  -2.098  -6.065
  272   1HB   LYS  35          1HB       LYS  35  -8.295  -0.123  -7.385
  273   2HB   LYS  35          2HB       LYS  35  -8.502  -1.060  -8.861
  274   1HG   LYS  35          1HG       LYS  35 -10.864  -1.425  -8.268
  275   2HG   LYS  35          2HG       LYS  35 -10.639  -0.420  -6.837
  276   1HD   LYS  35          1HD       LYS  35 -11.654   0.816  -8.638
  277   2HD   LYS  35          2HD       LYS  35 -10.035   1.455  -8.256
  278   1HE   LYS  35          1HE       LYS  35  -9.139   0.216 -10.187
  279   2HE   LYS  35          2HE       LYS  35 -10.761  -0.380 -10.543
  280   1HZ   LYS  35          1HZ       LYS  35  -9.876   2.443 -10.579
  281   2HZ   LYS  35          2HZ       LYS  35 -11.434   1.921 -10.908
  282   3HZ   LYS  35          3HZ       LYS  35 -10.166   1.481 -11.924
  283    H    ALA  36           H        ALA  36  -7.647  -3.939  -8.726
  284    HA   ALA  36           HA       ALA  36 -10.165  -4.814  -9.615
  285   1HB   ALA  36          1HB       ALA  36  -8.264  -4.765 -11.130
  286   2HB   ALA  36          2HB       ALA  36  -8.906  -6.405 -11.009
  287   3HB   ALA  36          3HB       ALA  36  -7.431  -5.968 -10.147
  288    H    ARG  37           H        ARG  37  -7.484  -6.443  -7.969
  289    HA   ARG  37           HA       ARG  37  -9.373  -8.081  -6.472
  290   1HB   ARG  37          1HB       ARG  37  -7.188  -9.254  -8.220
  291   2HB   ARG  37          2HB       ARG  37  -8.077 -10.168  -7.019
  292   1HG   ARG  37          1HG       ARG  37 -10.122  -9.905  -8.270
  293   2HG   ARG  37          2HG       ARG  37  -9.328  -8.813  -9.404
  294   1HD   ARG  37          1HD       ARG  37  -9.554 -11.048 -10.351
  295   2HD   ARG  37          2HD       ARG  37  -7.857 -10.629 -10.120
  296    HE   ARG  37           HE       ARG  37  -9.010 -12.061  -7.935
  297   1HH1  ARG  37          1HH1      ARG  37  -7.338 -12.400 -11.036
  298   2HH1  ARG  37          2HH1      ARG  37  -6.804 -13.986 -10.750
  299   1HH2  ARG  37          1HH2      ARG  37  -8.262 -14.221  -7.516
  300   2HH2  ARG  37          2HH2      ARG  37  -7.353 -15.077  -8.652
  301    H    ARG  38           H        ARG  38  -5.974  -8.396  -7.121
  302    HA   ARG  38           HA       ARG  38  -4.943  -7.119  -4.861
  303   1HB   ARG  38          1HB       ARG  38  -4.079  -9.104  -3.654
  304   2HB   ARG  38          2HB       ARG  38  -5.841  -9.086  -3.691
  305   1HG   ARG  38          1HG       ARG  38  -5.843 -10.797  -5.387
  306   2HG   ARG  38          2HG       ARG  38  -4.073 -10.819  -5.387
  307   1HD   ARG  38          1HD       ARG  38  -4.977 -12.624  -4.004
  308   2HD   ARG  38          2HD       ARG  38  -4.081 -11.447  -3.038
  309    HE   ARG  38           HE       ARG  38  -6.783 -10.712  -3.083
  310   1HH1  ARG  38          1HH1      ARG  38  -4.824 -13.303  -1.703
  311   2HH1  ARG  38          2HH1      ARG  38  -5.809 -13.488  -0.325
  312   1HH2  ARG  38          1HH2      ARG  38  -8.090 -10.946  -1.227
  313   2HH2  ARG  38          2HH2      ARG  38  -7.730 -12.107  -0.031
  314    H    VAL  39           H        VAL  39  -2.999  -6.548  -5.512
  315    HA   VAL  39           HA       VAL  39  -1.767  -8.188  -7.580
  316    HB   VAL  39           HB       VAL  39  -2.357  -5.228  -7.800
  317   1HG1  VAL  39          1HG1      VAL  39  -0.064  -5.585  -8.605
  318   2HG1  VAL  39          2HG1      VAL  39  -1.136  -5.272  -9.973
  319   3HG1  VAL  39          3HG1      VAL  39  -0.612  -6.918  -9.615
  320   1HG2  VAL  39          1HG2      VAL  39  -4.159  -6.700  -8.470
  321   2HG2  VAL  39          2HG2      VAL  39  -3.079  -7.576  -9.549
  322   3HG2  VAL  39          3HG2      VAL  39  -3.495  -5.901  -9.890
  323    H    VAL  40           H        VAL  40   0.406  -8.113  -7.695
  324    HA   VAL  40           HA       VAL  40   1.712  -6.904  -5.415
  325    HB   VAL  40           HB       VAL  40   2.078  -9.355  -5.673
  326   1HG1  VAL  40          1HG1      VAL  40   3.379 -10.263  -7.544
  327   2HG1  VAL  40          2HG1      VAL  40   3.315  -8.687  -8.333
  328   3HG1  VAL  40          3HG1      VAL  40   1.830  -9.595  -8.056
  329   1HG2  VAL  40          1HG2      VAL  40   3.888  -8.059  -4.659
  330   2HG2  VAL  40          2HG2      VAL  40   4.589  -7.776  -6.250
  331   3HG2  VAL  40          3HG2      VAL  40   4.536  -9.410  -5.590
  332    H    HIS  41           H        HIS  41   3.443  -5.544  -5.689
  333    HA   HIS  41           HA       HIS  41   4.049  -4.737  -8.419
  334   1HB   HIS  41          1HB       HIS  41   2.396  -3.177  -7.534
  335   2HB   HIS  41          2HB       HIS  41   3.356  -2.931  -6.088
  336    HD1  HIS  41           HD1      HIS  41   3.440  -2.068  -9.856
  337    HD2  HIS  41           HD2      HIS  41   5.031  -0.813  -6.214
  338    HE1  HIS  41           HE1      HIS  41   4.803  -0.048 -10.337
  339    H    ILE  42           H        ILE  42   6.145  -4.916  -8.705
  340    HA   ILE  42           HA       ILE  42   7.905  -5.218  -6.456
  341    HB   ILE  42           HB       ILE  42   8.148  -6.628  -8.539
  342   1HG1  ILE  42          1HG1      ILE  42  10.571  -4.944  -7.852
  343   2HG1  ILE  42          2HG1      ILE  42  10.031  -6.370  -6.980
  344   1HG2  ILE  42          1HG2      ILE  42   9.252  -5.654 -10.520
  345   2HG2  ILE  42          2HG2      ILE  42   9.086  -4.054  -9.798
  346   3HG2  ILE  42          3HG2      ILE  42   7.649  -4.978 -10.231
  347   1HD1  ILE  42          1HD1      ILE  42  11.912  -6.875  -8.425
  348   2HD1  ILE  42          2HD1      ILE  42  11.007  -6.301  -9.825
  349   3HD1  ILE  42          3HD1      ILE  42  10.468  -7.739  -8.956
  350    H    LYS  43           H        LYS  43   9.611  -3.867  -5.973
  351    HA   LYS  43           HA       LYS  43  10.658  -1.909  -5.568
  352   1HB   LYS  43          1HB       LYS  43   9.838  -1.152  -8.385
  353   2HB   LYS  43          2HB       LYS  43  11.005  -0.278  -7.406
  354   1HG   LYS  43          1HG       LYS  43  12.464  -2.245  -7.425
  355   2HG   LYS  43          2HG       LYS  43  11.274  -3.100  -8.411
  356   1HD   LYS  43          1HD       LYS  43  11.504  -1.384 -10.145
  357   2HD   LYS  43          2HD       LYS  43  12.741  -0.585  -9.169
  358   1HE   LYS  43          1HE       LYS  43  14.127  -2.591  -9.283
  359   2HE   LYS  43          2HE       LYS  43  12.891  -3.396 -10.241
  360   1HZ   LYS  43          1HZ       LYS  43  14.426  -0.983 -11.041
  361   2HZ   LYS  43          2HZ       LYS  43  13.228  -1.703 -11.975
  362   3HZ   LYS  43          3HZ       LYS  43  14.650  -2.532 -11.647
  363    HA   PRO  44           HA       PRO  44   6.576   0.269  -4.885
  364   1HB   PRO  44          1HB       PRO  44   6.055  -0.438  -2.346
  365   2HB   PRO  44          2HB       PRO  44   5.613  -1.495  -3.694
  366   1HG   PRO  44          1HG       PRO  44   8.028  -1.609  -1.925
  367   2HG   PRO  44          2HG       PRO  44   6.965  -2.944  -2.373
  368   1HD   PRO  44          1HD       PRO  44   9.289  -2.503  -3.600
  369   2HD   PRO  44          2HD       PRO  44   7.870  -3.132  -4.457
  370    H    GLY  45           H        GLY  45   6.289   2.130  -3.516
  371   1HA   GLY  45          1HA       GLY  45   8.411   3.039  -1.788
  372   2HA   GLY  45          2HA       GLY  45   8.412   3.823  -3.375
  373    H    GLU  46           H        GLU  46   5.937   2.728  -1.244
  374    HA   GLU  46           HA       GLU  46   4.756   5.387  -1.213
  375   1HB   GLU  46          1HB       GLU  46   2.687   4.241  -1.198
  376   2HB   GLU  46          2HB       GLU  46   3.723   3.327  -2.180
  377   1HG   GLU  46          1HG       GLU  46   3.257   2.542   0.693
  378   2HG   GLU  46          2HG       GLU  46   2.406   1.856  -0.685
  379    H    LYS  47           H        LYS  47   3.503   5.675   0.763
  380    HA   LYS  47           HA       LYS  47   4.209   4.379   3.170
  381   1HB   LYS  47          1HB       LYS  47   5.449   6.897   2.476
  382   2HB   LYS  47          2HB       LYS  47   4.387   7.100   3.865
  383   1HG   LYS  47          1HG       LYS  47   6.472   4.971   3.652
  384   2HG   LYS  47          2HG       LYS  47   6.756   6.528   4.424
  385   1HD   LYS  47          1HD       LYS  47   5.046   6.033   6.090
  386   2HD   LYS  47          2HD       LYS  47   4.596   4.573   5.235
  387   1HE   LYS  47          1HE       LYS  47   6.774   3.585   5.670
  388   2HE   LYS  47          2HE       LYS  47   7.331   5.075   6.426
  389   1HZ   LYS  47          1HZ       LYS  47   6.641   3.238   7.962
  390   2HZ   LYS  47          2HZ       LYS  47   5.031   3.520   7.546
  391   3HZ   LYS  47          3HZ       LYS  47   5.949   4.711   8.259
  392    H    ILE  48           H        ILE  48   2.222   3.792   3.176
  393    HA   ILE  48           HA       ILE  48   0.195   5.734   2.771
  394    HB   ILE  48           HB       ILE  48  -1.370   3.856   3.008
  395   1HG1  ILE  48          1HG1      ILE  48   1.145   2.150   3.120
  396   2HG1  ILE  48          2HG1      ILE  48  -0.014   2.352   4.428
  397   1HG2  ILE  48          1HG2      ILE  48   0.870   3.556   0.997
  398   2HG2  ILE  48          2HG2      ILE  48  -0.558   4.578   0.830
  399   3HG2  ILE  48          3HG2      ILE  48  -0.724   2.823   0.832
  400   1HD1  ILE  48          1HD1      ILE  48  -1.724   1.253   3.068
  401   2HD1  ILE  48          2HD1      ILE  48  -0.312   0.222   3.299
  402   3HD1  ILE  48          3HD1      ILE  48  -0.554   1.056   1.764
  403    H    LEU  49           H        LEU  49   0.018   7.075   4.307
  404    HA   LEU  49           HA       LEU  49  -0.634   8.072   6.228
  405   1HB   LEU  49          1HB       LEU  49  -1.836   5.486   7.175
  406   2HB   LEU  49          2HB       LEU  49  -2.338   7.112   7.545
  407    HG   LEU  49           HG       LEU  49  -4.026   6.535   6.182
  408   1HD1  LEU  49          1HD1      LEU  49  -2.048   7.464   4.200
  409   2HD1  LEU  49          2HD1      LEU  49  -3.256   8.403   5.090
  410   3HD1  LEU  49          3HD1      LEU  49  -3.754   7.213   3.879
  411   1HD2  LEU  49          1HD2      LEU  49  -2.189   4.713   4.657
  412   2HD2  LEU  49          2HD2      LEU  49  -3.901   4.927   4.303
  413   3HD2  LEU  49          3HD2      LEU  49  -3.399   4.241   5.848
  414    H    GLY  50           H        GLY  50   1.765   6.264   6.137
  415   1HA   GLY  50          1HA       GLY  50   3.558   6.086   7.689
  416   2HA   GLY  50          2HA       GLY  50   2.412   6.447   8.984
  417    H    ALA  51           H        ALA  51   0.475   4.688   8.679
  418    HA   ALA  51           HA       ALA  51   1.645   2.012   8.742
  419   1HB   ALA  51          1HB       ALA  51  -0.282   3.192  10.763
  420   2HB   ALA  51          2HB       ALA  51   1.405   2.783  11.067
  421   3HB   ALA  51          3HB       ALA  51   0.239   1.508  10.713
  422    H    ARG  52           H        ARG  52   0.225   0.443   7.969
  423    HA   ARG  52           HA       ARG  52  -1.678   1.390   6.079
  424   1HB   ARG  52          1HB       ARG  52  -0.336  -0.570   5.585
  425   2HB   ARG  52          2HB       ARG  52  -1.041  -1.429   6.944
  426   1HG   ARG  52          1HG       ARG  52  -3.249  -1.312   5.842
  427   2HG   ARG  52          2HG       ARG  52  -2.491  -0.527   4.457
  428   1HD   ARG  52          1HD       ARG  52  -1.099  -2.482   4.089
  429   2HD   ARG  52          2HD       ARG  52  -1.780  -3.253   5.520
  430    HE   ARG  52           HE       ARG  52  -3.452  -2.515   3.224
  431   1HH1  ARG  52          1HH1      ARG  52  -2.284  -4.936   5.518
  432   2HH1  ARG  52          2HH1      ARG  52  -3.336  -6.168   5.047
  433   1HH2  ARG  52          1HH2      ARG  52  -4.919  -4.244   2.463
  434   2HH2  ARG  52          2HH2      ARG  52  -4.921  -5.756   3.250
  435    H    ILE  53           H        ILE  53  -3.506   2.269   6.838
  436    HA   ILE  53           HA       ILE  53  -5.197   0.578   8.520
  437    HB   ILE  53           HB       ILE  53  -5.174   3.601   8.339
  438   1HG1  ILE  53          1HG1      ILE  53  -4.251   1.809  10.618
  439   2HG1  ILE  53          2HG1      ILE  53  -3.193   2.726   9.559
  440   1HG2  ILE  53          1HG2      ILE  53  -6.763   1.716  10.101
  441   2HG2  ILE  53          2HG2      ILE  53  -7.399   2.697   8.781
  442   3HG2  ILE  53          3HG2      ILE  53  -6.781   3.474  10.240
  443   1HD1  ILE  53          1HD1      ILE  53  -3.453   3.783  11.738
  444   2HD1  ILE  53          2HD1      ILE  53  -5.197   3.896  11.484
  445   3HD1  ILE  53          3HD1      ILE  53  -4.092   4.802  10.451
  446    H    ILE  54           H        ILE  54  -6.749  -0.190   7.244
  447    HA   ILE  54           HA       ILE  54  -7.329   0.952   4.668
  448    HB   ILE  54           HB       ILE  54  -8.700  -1.280   6.211
  449   1HG1  ILE  54          1HG1      ILE  54  -6.585  -1.443   4.046
  450   2HG1  ILE  54          2HG1      ILE  54  -6.302  -1.725   5.757
  451   1HG2  ILE  54          1HG2      ILE  54  -8.837  -0.635   3.280
  452   2HG2  ILE  54          2HG2      ILE  54 -10.112  -0.312   4.449
  453   3HG2  ILE  54          3HG2      ILE  54  -9.645  -1.979   4.087
  454   1HD1  ILE  54          1HD1      ILE  54  -6.466  -3.808   4.506
  455   2HD1  ILE  54          2HD1      ILE  54  -8.092  -3.371   3.977
  456   3HD1  ILE  54          3HD1      ILE  54  -7.766  -3.666   5.685
  457    H    GLY  55           H        GLY  55  -8.913   0.563   7.723
  458   1HA   GLY  55          1HA       GLY  55 -10.354   2.151   8.742
  459   2HA   GLY  55          2HA       GLY  55 -10.698   2.825   7.151
  460    H    ILE  56           H        ILE  56 -10.989   0.198   6.006
  461    HA   ILE  56           HA       ILE  56 -13.765  -0.290   6.696
  462    HB   ILE  56           HB       ILE  56 -11.975  -1.483   4.539
  463   1HG1  ILE  56          1HG1      ILE  56 -12.704   0.790   4.018
  464   2HG1  ILE  56          2HG1      ILE  56 -13.430  -0.371   2.928
  465   1HG2  ILE  56          1HG2      ILE  56 -13.922  -2.648   3.623
  466   2HG2  ILE  56          2HG2      ILE  56 -14.869  -2.137   5.020
  467   3HG2  ILE  56          3HG2      ILE  56 -13.493  -3.218   5.239
  468   1HD1  ILE  56          1HD1      ILE  56 -14.798   0.945   5.264
  469   2HD1  ILE  56          2HD1      ILE  56 -15.523  -0.253   4.194
  470   3HD1  ILE  56          3HD1      ILE  56 -15.037   1.318   3.557
  471    HA   PRO  57           HA       PRO  57 -12.353  -3.565   9.474
  472   1HB   PRO  57          1HB       PRO  57 -15.159  -4.480   9.321
  473   2HB   PRO  57          2HB       PRO  57 -14.220  -3.996  10.736
  474   1HG   PRO  57          1HG       PRO  57 -16.189  -2.452   9.762
  475   2HG   PRO  57          2HG       PRO  57 -14.719  -1.760  10.468
  476   1HD   PRO  57          1HD       PRO  57 -15.477  -2.062   7.594
  477   2HD   PRO  57          2HD       PRO  57 -14.646  -0.728   8.424
  478    HA   PRO  58           HA       PRO  58 -12.499  -6.710   6.163
  479   1HB   PRO  58          1HB       PRO  58  -9.911  -6.979   5.837
  480   2HB   PRO  58          2HB       PRO  58 -10.670  -5.441   5.403
  481   1HG   PRO  58          1HG       PRO  58  -8.914  -6.076   7.716
  482   2HG   PRO  58          2HG       PRO  58  -9.183  -4.526   6.902
  483   1HD   PRO  58          1HD       PRO  58 -10.472  -5.545   9.297
  484   2HD   PRO  58          2HD       PRO  58 -10.642  -3.948   8.529
  485    H    VAL  59           H        VAL  59 -10.734  -8.662   6.089
  486    HA   VAL  59           HA       VAL  59 -11.126 -10.140   8.553
  487    HB   VAL  59           HB       VAL  59 -10.066 -11.090   5.867
  488   1HG1  VAL  59          1HG1      VAL  59 -11.052 -12.650   8.257
  489   2HG1  VAL  59          2HG1      VAL  59  -9.379 -12.501   7.722
  490   3HG1  VAL  59          3HG1      VAL  59 -10.553 -13.347   6.714
  491   1HG2  VAL  59          1HG2      VAL  59 -12.374 -10.326   5.655
  492   2HG2  VAL  59          2HG2      VAL  59 -12.853 -11.358   7.002
  493   3HG2  VAL  59          3HG2      VAL  59 -12.280 -12.080   5.498
  494    HA   PRO  60           HA       PRO  60  -6.884  -8.674   9.293
  495   1HB   PRO  60          1HB       PRO  60  -7.024 -10.097  11.841
  496   2HB   PRO  60          2HB       PRO  60  -6.944  -8.361  11.539
  497   1HG   PRO  60          1HG       PRO  60  -9.164  -9.557  12.500
  498   2HG   PRO  60          2HG       PRO  60  -9.234  -8.142  11.438
  499   1HD   PRO  60          1HD       PRO  60  -9.620 -11.034  10.768
  500   2HD   PRO  60          2HD       PRO  60 -10.559  -9.603  10.266
  501    H    ILE  61           H        ILE  61  -6.827 -10.956   7.629
  502    HA   ILE  61           HA       ILE  61  -4.877 -12.648   9.019
  503    HB   ILE  61           HB       ILE  61  -6.530 -13.295   6.527
  504   1HG1  ILE  61          1HG1      ILE  61  -6.670 -14.496   9.293
  505   2HG1  ILE  61          2HG1      ILE  61  -7.823 -13.335   8.657
  506   1HG2  ILE  61          1HG2      ILE  61  -4.302 -14.368   6.473
  507   2HG2  ILE  61          2HG2      ILE  61  -5.588 -15.557   6.684
  508   3HG2  ILE  61          3HG2      ILE  61  -4.613 -15.057   8.067
  509   1HD1  ILE  61          1HD1      ILE  61  -8.454 -14.964   6.925
  510   2HD1  ILE  61          2HD1      ILE  61  -8.698 -15.597   8.553
  511   3HD1  ILE  61          3HD1      ILE  61  -7.302 -16.113   7.606
  512    H    GLY  62           H        GLY  62  -2.845 -12.987   7.896
  513   1HA   GLY  62          1HA       GLY  62  -2.372 -12.081   5.309
  514   2HA   GLY  62          2HA       GLY  62  -1.950 -10.795   6.435
  515    H    ILE  63           H        ILE  63  -0.049 -11.891   4.835
  516    HA   ILE  63           HA       ILE  63   1.655 -13.130   6.845
  517    HB   ILE  63           HB       ILE  63   1.669 -13.882   3.890
  518   1HG1  ILE  63          1HG1      ILE  63   0.795 -15.575   6.238
  519   2HG1  ILE  63          2HG1      ILE  63  -0.300 -14.828   5.082
  520   1HG2  ILE  63          1HG2      ILE  63   3.202 -15.043   6.218
  521   2HG2  ILE  63          2HG2      ILE  63   3.854 -13.970   4.987
  522   3HG2  ILE  63          3HG2      ILE  63   3.294 -15.584   4.539
  523   1HD1  ILE  63          1HD1      ILE  63   0.745 -16.172   3.291
  524   2HD1  ILE  63          2HD1      ILE  63   0.008 -17.155   4.553
  525   3HD1  ILE  63          3HD1      ILE  63   1.762 -16.949   4.508
  526    H    ASP  64           H        ASP  64   2.366 -10.939   7.160
  527    HA   ASP  64           HA       ASP  64   3.757  -9.833   4.879
  528   1HB   ASP  64          1HB       ASP  64   4.052  -7.743   6.126
  529   2HB   ASP  64          2HB       ASP  64   2.370  -8.218   6.194
  530    H    GLU  65           H        GLU  65   5.400 -10.980   4.548
  531    HA   GLU  65           HA       GLU  65   7.046 -12.117   6.554
  532   1HB   GLU  65          1HB       GLU  65   7.372 -11.792   3.589
  533   2HB   GLU  65          2HB       GLU  65   8.507 -12.695   4.560
  534   1HG   GLU  65          1HG       GLU  65   5.572 -13.275   4.271
  535   2HG   GLU  65          2HG       GLU  65   6.872 -14.118   3.432
  536    H    GLU  66           H        GLU  66   7.751  -9.709   4.086
  537    HA   GLU  66           HA       GLU  66   9.351  -8.179   5.859
  538   1HB   GLU  66          1HB       GLU  66  10.798 -10.145   5.192
  539   2HB   GLU  66          2HB       GLU  66  10.643  -9.642   3.528
  540   1HG   GLU  66          1HG       GLU  66  11.881  -7.634   3.983
  541   2HG   GLU  66          2HG       GLU  66  11.930  -8.025   5.707
  542    H    ARG  67           H        ARG  67  10.489  -6.562   4.189
  543    HA   ARG  67           HA       ARG  67   8.257  -5.393   2.671
  544   1HB   ARG  67          1HB       ARG  67   9.926  -4.244   4.402
  545   2HB   ARG  67          2HB       ARG  67  10.918  -4.068   2.966
  546   1HG   ARG  67          1HG       ARG  67   8.104  -3.010   3.250
  547   2HG   ARG  67          2HG       ARG  67   9.574  -2.075   3.506
  548   1HD   ARG  67          1HD       ARG  67  10.186  -2.277   1.217
  549   2HD   ARG  67          2HD       ARG  67   8.899  -3.441   0.911
  550    HE   ARG  67           HE       ARG  67   7.419  -1.449   1.655
  551   1HH1  ARG  67          1HH1      ARG  67  10.342  -1.132  -0.338
  552   2HH1  ARG  67          2HH1      ARG  67   9.708   0.154  -1.269
  553   1HH2  ARG  67          1HH2      ARG  67   6.574   0.345   0.321
  554   2HH2  ARG  67          2HH2      ARG  67   7.575   0.987  -0.858
  555    H    SER  68           H        SER  68  11.482  -6.636   2.385
  556    HA   SER  68           HA       SER  68  11.654  -6.243  -0.439
  557   1HB   SER  68          1HB       SER  68  13.835  -7.570   0.357
  558   2HB   SER  68          2HB       SER  68  13.663  -5.821   0.544
  559    HG   SER  68           HG       SER  68  13.598  -7.815   2.501
  560    H    THR  69           H        THR  69   9.553  -7.815   0.355
  561    HA   THR  69           HA       THR  69   9.994 -10.072  -1.241
  562    HB   THR  69           HB       THR  69  10.886 -10.654   1.105
  563    HG1  THR  69           HG1      THR  69  10.336 -12.743   0.644
  564   1HG2  THR  69          1HG2      THR  69   7.936 -10.993   1.582
  565   2HG2  THR  69          2HG2      THR  69   8.967  -9.798   2.354
  566   3HG2  THR  69          3HG2      THR  69   9.228 -11.519   2.664
  567    H    VAL  70           H        VAL  70   7.874 -11.417  -0.793
  568    HA   VAL  70           HA       VAL  70   5.797  -9.456  -1.369
  569    HB   VAL  70           HB       VAL  70   4.337 -11.345  -2.002
  570   1HG1  VAL  70          1HG1      VAL  70   5.616 -10.273  -3.698
  571   2HG1  VAL  70          2HG1      VAL  70   5.563 -12.009  -4.018
  572   3HG1  VAL  70          3HG1      VAL  70   7.016 -11.279  -3.337
  573   1HG2  VAL  70          1HG2      VAL  70   5.227 -13.110  -0.576
  574   2HG2  VAL  70          2HG2      VAL  70   6.757 -13.073  -1.444
  575   3HG2  VAL  70          3HG2      VAL  70   5.288 -13.607  -2.267
  576    H    MET  71           H        MET  71   4.953  -8.527   0.234
  577    HA   MET  71           HA       MET  71   4.145 -10.129   2.510
  578   1HB   MET  71          1HB       MET  71   3.365  -7.952   3.523
  579   2HB   MET  71          2HB       MET  71   5.076  -7.969   3.152
  580   1HG   MET  71          1HG       MET  71   4.657  -6.621   1.157
  581   2HG   MET  71          2HG       MET  71   2.930  -6.643   1.501
  582   1HE   MET  71          1HE       MET  71   1.800  -5.404   3.539
  583   2HE   MET  71          2HE       MET  71   2.690  -4.517   4.774
  584   3HE   MET  71          3HE       MET  71   2.830  -6.270   4.681
  585    H    ILE  72           H        ILE  72   2.491 -11.337   2.082
  586    HA   ILE  72           HA       ILE  72   0.373 -10.303   0.348
  587    HB   ILE  72           HB       ILE  72   0.911 -13.170   1.169
  588   1HG1  ILE  72          1HG1      ILE  72   1.442 -11.764  -1.466
  589   2HG1  ILE  72          2HG1      ILE  72   2.674 -12.229  -0.299
  590   1HG2  ILE  72          1HG2      ILE  72  -0.706 -13.743  -0.596
  591   2HG2  ILE  72          2HG2      ILE  72  -1.013 -12.028  -0.869
  592   3HG2  ILE  72          3HG2      ILE  72  -1.449 -12.768   0.673
  593   1HD1  ILE  72          1HD1      ILE  72   2.583 -13.786  -2.158
  594   2HD1  ILE  72          2HD1      ILE  72   0.879 -14.103  -1.830
  595   3HD1  ILE  72          3HD1      ILE  72   2.107 -14.583  -0.658
  596    HA   PRO  73           HA       PRO  73  -1.929 -10.281   4.240
  597   1HB   PRO  73          1HB       PRO  73  -3.563  -8.216   3.046
  598   2HB   PRO  73          2HB       PRO  73  -2.458  -8.066   4.409
  599   1HG   PRO  73          1HG       PRO  73  -2.022  -6.880   1.988
  600   2HG   PRO  73          2HG       PRO  73  -0.720  -7.366   3.085
  601   1HD   PRO  73          1HD       PRO  73  -1.783  -8.784   0.668
  602   2HD   PRO  73          2HD       PRO  73  -0.100  -8.545   1.197
  603    H    TYR  74           H        TYR  74  -3.980 -11.126   4.635
  604    HA   TYR  74           HA       TYR  74  -5.556 -11.813   2.287
  605   1HB   TYR  74          1HB       TYR  74  -5.197 -13.393   4.848
  606   2HB   TYR  74          2HB       TYR  74  -6.400 -13.769   3.622
  607    HD1  TYR  74           HD1      TYR  74  -5.629 -14.495   1.357
  608    HD2  TYR  74           HD2      TYR  74  -2.960 -14.127   4.641
  609    HE1  TYR  74           HE1      TYR  74  -4.008 -15.923   0.193
  610    HE2  TYR  74           HE2      TYR  74  -1.334 -15.551   3.479
  611    HH   TYR  74           HH       TYR  74  -1.361 -17.297   1.760
  612    H    THR  75           H        THR  75  -6.009  -9.581   2.933
  613    HA   THR  75           HA       THR  75  -8.027  -9.436   5.015
  614    HB   THR  75           HB       THR  75  -7.742  -6.974   4.713
  615    HG1  THR  75           HG1      THR  75  -6.699  -7.458   2.533
  616   1HG2  THR  75          1HG2      THR  75  -6.546  -8.133   6.511
  617   2HG2  THR  75          2HG2      THR  75  -5.556  -6.825   5.859
  618   3HG2  THR  75          3HG2      THR  75  -5.218  -8.495   5.406
  619    H    LYS  76           H        LYS  76 -10.076  -9.548   4.212
  620    HA   LYS  76           HA       LYS  76 -10.477  -8.843   1.429
  621   1HB   LYS  76          1HB       LYS  76 -11.320 -11.048   2.085
  622   2HB   LYS  76          2HB       LYS  76 -12.269 -10.326   3.373
  623   1HG   LYS  76          1HG       LYS  76 -13.666 -10.922   1.462
  624   2HG   LYS  76          2HG       LYS  76 -13.662  -9.181   1.733
  625   1HD   LYS  76          1HD       LYS  76 -11.995  -8.925  -0.074
  626   2HD   LYS  76          2HD       LYS  76 -12.059 -10.667  -0.358
  627   1HE   LYS  76          1HE       LYS  76 -14.439 -10.485  -0.897
  628   2HE   LYS  76          2HE       LYS  76 -14.371  -8.757  -0.571
  629   1HZ   LYS  76          1HZ       LYS  76 -12.893 -10.163  -2.731
  630   2HZ   LYS  76          2HZ       LYS  76 -12.869  -8.489  -2.426
  631   3HZ   LYS  76          3HZ       LYS  76 -14.287  -9.229  -2.901
  632    HA   PRO  77           HA       PRO  77 -12.516  -5.229   3.236
  633   1HB   PRO  77          1HB       PRO  77 -11.199  -3.414   1.804
  634   2HB   PRO  77          2HB       PRO  77 -10.383  -4.270   3.116
  635   1HG   PRO  77          1HG       PRO  77  -9.973  -4.512   0.214
  636   2HG   PRO  77          2HG       PRO  77  -8.924  -5.025   1.544
  637   1HD   PRO  77          1HD       PRO  77 -10.847  -6.605   0.012
  638   2HD   PRO  77          2HD       PRO  77  -9.578  -7.134   1.141
  639    H    CYS  78           H        CYS  78 -12.941  -3.138   1.583
  640    HA   CYS  78           HA       CYS  78 -14.858  -4.213  -0.334
  641   1HB   CYS  78          1HB       CYS  78 -14.670  -1.660   1.217
  642   2HB   CYS  78          2HB       CYS  78 -15.971  -2.025   0.060
  643    HG   CYS  78           HG       CYS  78 -16.819  -2.317   2.772
  644    H    TYR  79           H        TYR  79 -12.007  -3.840  -0.859
  645    HA   TYR  79           HA       TYR  79 -12.185  -2.044  -3.129
  646   1HB   TYR  79          1HB       TYR  79 -11.324  -0.604  -1.315
  647   2HB   TYR  79          2HB       TYR  79 -10.022  -1.742  -1.021
  648    HD1  TYR  79           HD1      TYR  79 -11.391   0.629  -3.530
  649    HD2  TYR  79           HD2      TYR  79  -7.990  -1.568  -2.222
  650    HE1  TYR  79           HE1      TYR  79  -9.973   1.893  -5.093
  651    HE2  TYR  79           HE2      TYR  79  -6.570  -0.314  -3.782
  652    HH   TYR  79           HH       TYR  79  -7.672   2.488  -5.401
  653    H    GLY  80           H        GLY  80  -9.304  -3.507  -1.567
  654   1HA   GLY  80          1HA       GLY  80  -9.173  -5.800  -3.159
  655   2HA   GLY  80          2HA       GLY  80  -8.248  -4.511  -3.929
  656    H    THR  81           H        THR  81  -6.593  -6.325  -3.323
  657    HA   THR  81           HA       THR  81  -5.585  -5.667  -0.642
  658    HB   THR  81           HB       THR  81  -5.250  -8.284  -2.118
  659    HG1  THR  81           HG1      THR  81  -7.288  -8.346  -1.361
  660   1HG2  THR  81          1HG2      THR  81  -4.522  -7.522   0.717
  661   2HG2  THR  81          2HG2      THR  81  -3.380  -7.799  -0.595
  662   3HG2  THR  81          3HG2      THR  81  -4.362  -9.132   0.017
  663    H    ALA  82           H        ALA  82  -3.341  -5.445  -0.372
  664    HA   ALA  82           HA       ALA  82  -1.905  -4.649  -2.813
  665   1HB   ALA  82          1HB       ALA  82  -0.704  -3.090  -1.408
  666   2HB   ALA  82          2HB       ALA  82  -1.557  -3.681   0.014
  667   3HB   ALA  82          3HB       ALA  82  -2.441  -2.825  -1.243
  668    H    VAL  83           H        VAL  83  -0.290  -6.014  -3.315
  669    HA   VAL  83           HA       VAL  83   1.266  -7.226  -1.126
  670    HB   VAL  83           HB       VAL  83   0.951  -8.257  -3.975
  671   1HG1  VAL  83          1HG1      VAL  83   2.031 -10.279  -3.125
  672   2HG1  VAL  83          2HG1      VAL  83   2.154  -9.542  -1.529
  673   3HG1  VAL  83          3HG1      VAL  83   3.050  -8.859  -2.882
  674   1HG2  VAL  83          1HG2      VAL  83  -0.427 -10.084  -3.061
  675   2HG2  VAL  83          2HG2      VAL  83  -1.194  -8.511  -2.840
  676   3HG2  VAL  83          3HG2      VAL  83  -0.400  -9.302  -1.479
  677    H    VAL  84           H        VAL  84   3.075  -6.075  -0.973
  678    HA   VAL  84           HA       VAL  84   4.134  -5.030  -3.486
  679    HB   VAL  84           HB       VAL  84   5.114  -3.124  -2.282
  680   1HG1  VAL  84          1HG1      VAL  84   2.929  -2.802  -3.160
  681   2HG1  VAL  84          2HG1      VAL  84   3.114  -1.915  -1.647
  682   3HG1  VAL  84          3HG1      VAL  84   2.205  -3.425  -1.679
  683   1HG2  VAL  84          1HG2      VAL  84   4.636  -2.693   0.082
  684   2HG2  VAL  84          2HG2      VAL  84   5.549  -4.191  -0.111
  685   3HG2  VAL  84          3HG2      VAL  84   3.815  -4.250   0.203
  686    H    GLU  85           H        GLU  85   6.334  -5.283  -3.909
  687    HA   GLU  85           HA       GLU  85   7.889  -6.824  -1.961
  688   1HB   GLU  85          1HB       GLU  85   6.903  -8.486  -3.414
  689   2HB   GLU  85          2HB       GLU  85   7.453  -7.600  -4.845
  690   1HG   GLU  85          1HG       GLU  85   9.784  -8.059  -4.168
  691   2HG   GLU  85          2HG       GLU  85   9.160  -8.980  -2.796
  692    H    LEU  86           H        LEU  86   9.634  -5.666  -1.637
  693    HA   LEU  86           HA       LEU  86  10.683  -3.980  -3.775
  694   1HB   LEU  86          1HB       LEU  86  10.355  -3.099  -1.462
  695   2HB   LEU  86          2HB       LEU  86  11.544  -4.241  -0.884
  696    HG   LEU  86           HG       LEU  86  13.174  -3.108  -2.460
  697   1HD1  LEU  86          1HD1      LEU  86  11.040  -1.002  -2.502
  698   2HD1  LEU  86          2HD1      LEU  86  11.635  -1.946  -3.867
  699   3HD1  LEU  86          3HD1      LEU  86  12.701  -0.799  -3.060
  700   1HD2  LEU  86          1HD2      LEU  86  13.609  -1.282  -0.855
  701   2HD2  LEU  86          2HD2      LEU  86  13.293  -2.822  -0.064
  702   3HD2  LEU  86          3HD2      LEU  86  12.040  -1.586  -0.114
  703    HA   PRO  87           HA       PRO  87  13.857  -7.166  -4.363
  704   1HB   PRO  87          1HB       PRO  87  14.974  -6.193  -6.568
  705   2HB   PRO  87          2HB       PRO  87  13.318  -6.816  -6.614
  706   1HG   PRO  87          1HG       PRO  87  14.286  -3.993  -6.513
  707   2HG   PRO  87          2HG       PRO  87  12.945  -4.682  -7.443
  708   1HD   PRO  87          1HD       PRO  87  12.706  -3.327  -5.026
  709   2HD   PRO  87          2HD       PRO  87  11.485  -4.415  -5.717
  710    H    VAL  88           H        VAL  88  14.186  -4.574  -2.797
  711    HA   VAL  88           HA       VAL  88  17.116  -4.356  -2.834
  712    HB   VAL  88           HB       VAL  88  15.143  -2.212  -1.981
  713   1HG1  VAL  88          1HG1      VAL  88  17.303  -2.017  -0.931
  714   2HG1  VAL  88          2HG1      VAL  88  17.013  -0.677  -2.036
  715   3HG1  VAL  88          3HG1      VAL  88  18.089  -1.990  -2.514
  716   1HG2  VAL  88          1HG2      VAL  88  15.648  -0.972  -4.042
  717   2HG2  VAL  88          2HG2      VAL  88  14.875  -2.521  -4.385
  718   3HG2  VAL  88          3HG2      VAL  88  16.611  -2.332  -4.612
  719    H    ASP  89           H        ASP  89  17.869  -4.018  -0.612
  720    HA   ASP  89           HA       ASP  89  16.589  -5.778   1.216
  721   1HB   ASP  89          1HB       ASP  89  18.926  -3.881   1.559
  722   2HB   ASP  89          2HB       ASP  89  18.381  -4.919   2.856
  723    HA   PRO  90           HA       PRO  90  13.829  -3.252   3.648
  724   1HB   PRO  90          1HB       PRO  90  14.618  -3.805   6.242
  725   2HB   PRO  90          2HB       PRO  90  13.578  -4.848   5.270
  726   1HG   PRO  90          1HG       PRO  90  16.524  -5.033   5.756
  727   2HG   PRO  90          2HG       PRO  90  15.311  -6.326   5.736
  728   1HD   PRO  90          1HD       PRO  90  16.912  -5.958   3.655
  729   2HD   PRO  90          2HD       PRO  90  15.203  -6.356   3.415
  730    H    GLU  91           H        GLU  91  17.065  -2.575   3.500
  731    HA   GLU  91           HA       GLU  91  17.570  -0.582   5.401
  732   1HB   GLU  91          1HB       GLU  91  19.289   0.215   3.805
  733   2HB   GLU  91          2HB       GLU  91  19.347  -1.530   4.014
  734   1HG   GLU  91          1HG       GLU  91  18.308  -1.893   1.890
  735   2HG   GLU  91          2HG       GLU  91  17.938  -0.184   1.716
  736    H    GLU  92           H        GLU  92  15.807  -0.604   2.417
  737    HA   GLU  92           HA       GLU  92  15.760   2.173   1.950
  738   1HB   GLU  92          1HB       GLU  92  15.329   0.442   0.228
  739   2HB   GLU  92          2HB       GLU  92  13.790   0.104   1.003
  740   1HG   GLU  92          1HG       GLU  92  13.594   1.534  -1.016
  741   2HG   GLU  92          2HG       GLU  92  12.951   2.276   0.448
  742    H    ILE  93           H        ILE  93  14.005   0.167   4.082
  743    HA   ILE  93           HA       ILE  93  11.629   1.604   4.403
  744    HB   ILE  93           HB       ILE  93  13.148  -0.034   6.451
  745   1HG1  ILE  93          1HG1      ILE  93  10.822  -0.779   4.672
  746   2HG1  ILE  93          2HG1      ILE  93  12.494  -1.271   4.420
  747   1HG2  ILE  93          1HG2      ILE  93  10.257   0.865   6.495
  748   2HG2  ILE  93          2HG2      ILE  93  11.538   1.464   7.545
  749   3HG2  ILE  93          3HG2      ILE  93  11.016  -0.219   7.665
  750   1HD1  ILE  93          1HD1      ILE  93  12.435  -2.486   6.550
  751   2HD1  ILE  93          2HD1      ILE  93  11.225  -3.065   5.411
  752   3HD1  ILE  93          3HD1      ILE  93  10.744  -2.021   6.752
  753    H    GLU  94           H        GLU  94  14.869   2.216   5.568
  754    HA   GLU  94           HA       GLU  94  14.269   3.967   7.708
  755   1HB   GLU  94          1HB       GLU  94  16.667   3.979   5.886
  756   2HB   GLU  94          2HB       GLU  94  16.561   4.752   7.458
  757   1HG   GLU  94          1HG       GLU  94  16.363   2.573   8.520
  758   2HG   GLU  94          2HG       GLU  94  16.437   1.793   6.935
  759    H    ARG  95           H        ARG  95  14.696   4.405   4.281
  760    HA   ARG  95           HA       ARG  95  14.638   7.288   4.445
  761   1HB   ARG  95          1HB       ARG  95  14.306   5.571   1.970
  762   2HB   ARG  95          2HB       ARG  95  14.657   7.294   1.995
  763   1HG   ARG  95          1HG       ARG  95  16.729   6.412   1.511
  764   2HG   ARG  95          2HG       ARG  95  16.822   6.482   3.272
  765   1HD   ARG  95          1HD       ARG  95  15.962   4.118   3.285
  766   2HD   ARG  95          2HD       ARG  95  16.184   4.128   1.544
  767    HE   ARG  95           HE       ARG  95  18.407   4.638   3.385
  768   1HH1  ARG  95          1HH1      ARG  95  17.125   2.863   0.535
  769   2HH1  ARG  95          2HH1      ARG  95  18.479   1.849   0.447
  770   1HH2  ARG  95          1HH2      ARG  95  20.238   3.107   3.201
  771   2HH2  ARG  95          2HH2      ARG  95  20.179   1.945   1.946
  772    H    ILE  96           H        ILE  96  12.561   4.647   3.693
  773    HA   ILE  96           HA       ILE  96  10.358   6.097   2.806
  774    HB   ILE  96           HB       ILE  96  10.643   3.317   3.956
  775   1HG1  ILE  96          1HG1      ILE  96  10.244   4.288   1.123
  776   2HG1  ILE  96          2HG1      ILE  96  11.761   3.744   1.824
  777   1HG2  ILE  96          1HG2      ILE  96   8.190   4.455   2.642
  778   2HG2  ILE  96          2HG2      ILE  96   8.353   4.017   4.344
  779   3HG2  ILE  96          3HG2      ILE  96   8.426   2.767   3.100
  780   1HD1  ILE  96          1HD1      ILE  96   9.302   2.057   1.433
  781   2HD1  ILE  96          2HD1      ILE  96  10.843   1.509   2.094
  782   3HD1  ILE  96          3HD1      ILE  96  10.740   2.042   0.416
  783    H    LEU  97           H        LEU  97  11.520   5.260   5.962
  784    HA   LEU  97           HA       LEU  97   9.234   5.765   7.525
  785   1HB   LEU  97          1HB       LEU  97  11.188   4.521   8.324
  786   2HB   LEU  97          2HB       LEU  97  12.173   5.958   8.188
  787    HG   LEU  97           HG       LEU  97  10.784   7.011   9.969
  788   1HD1  LEU  97          1HD1      LEU  97   8.752   5.719   9.702
  789   2HD1  LEU  97          2HD1      LEU  97   9.366   5.585  11.351
  790   3HD1  LEU  97          3HD1      LEU  97   9.597   4.257  10.215
  791   1HD2  LEU  97          1HD2      LEU  97  12.137   4.411  10.680
  792   2HD2  LEU  97          2HD2      LEU  97  11.770   5.718  11.804
  793   3HD2  LEU  97          3HD2      LEU  97  12.920   5.980  10.492
  794    H    GLU  98           H        GLU  98  11.763   7.779   6.207
  795    HA   GLU  98           HA       GLU  98  11.015  10.145   7.681
  796   1HB   GLU  98          1HB       GLU  98  13.318   9.509   6.705
  797   2HB   GLU  98          2HB       GLU  98  12.625  10.004   5.171
  798   1HG   GLU  98          1HG       GLU  98  13.926  11.823   6.183
  799   2HG   GLU  98          2HG       GLU  98  12.221  12.232   5.983
  800    H    VAL  99           H        VAL  99  10.251   8.570   4.774
  801    HA   VAL  99           HA       VAL  99   8.884  10.829   3.600
  802    HB   VAL  99           HB       VAL  99   9.508   8.019   2.635
  803   1HG1  VAL  99          1HG1      VAL  99   8.787   8.727   0.365
  804   2HG1  VAL  99          2HG1      VAL  99   8.327  10.303   0.999
  805   3HG1  VAL  99          3HG1      VAL  99   7.433   8.862   1.492
  806   1HG2  VAL  99          1HG2      VAL  99  11.440   9.424   2.782
  807   2HG2  VAL  99          2HG2      VAL  99  10.651  10.678   1.826
  808   3HG2  VAL  99          3HG2      VAL  99  11.054   9.130   1.086
  809    H    ALA 100           H        ALA 100   8.163   9.071   6.056
  810    HA   ALA 100           HA       ALA 100   5.908   7.628   5.923
  811   1HB   ALA 100          1HB       ALA 100   6.360   9.751   8.006
  812   2HB   ALA 100          2HB       ALA 100   7.084   8.145   8.011
  813   3HB   ALA 100          3HB       ALA 100   5.336   8.325   8.169
  814    H    GLU 101           H        GLU 101   5.891  11.136   6.073
  815    HA   GLU 101           HA       GLU 101   3.565  11.137   4.490
  816   1HB   GLU 101          1HB       GLU 101   2.250  12.689   6.028
  817   2HB   GLU 101          2HB       GLU 101   2.389  11.033   6.582
  818   1HG   GLU 101          1HG       GLU 101   4.066  11.664   8.176
  819   2HG   GLU 101          2HG       GLU 101   4.081  13.319   7.552
  820    HA   PRO 102           HA       PRO 102   6.179  14.751   3.584
  821   1HB   PRO 102          1HB       PRO 102   6.492  14.187   0.930
  822   2HB   PRO 102          2HB       PRO 102   7.477  13.475   2.203
  823   1HG   PRO 102          1HG       PRO 102   5.518  12.158   0.517
  824   2HG   PRO 102          2HG       PRO 102   6.618  11.442   1.702
  825   1HD   PRO 102          1HD       PRO 102   3.772  12.169   1.992
  826   2HD   PRO 102          2HD       PRO 102   4.768  11.033   2.937
  Start of MODEL    8
    1    H    HIS   1           H        HIS   1   1.801   6.755 -12.560
    2    HA   HIS   1           HA       HIS   1   1.775   9.140 -12.418
    3   1HB   HIS   1          1HB       HIS   1  -0.577   9.464 -12.914
    4   2HB   HIS   1          2HB       HIS   1  -0.049   7.946 -13.619
    5    HD1  HIS   1           HD1      HIS   1  -1.124   5.732 -12.574
    6    HD2  HIS   1           HD2      HIS   1  -2.522   9.307 -10.962
    7    HE1  HIS   1           HE1      HIS   1  -3.190   5.157 -11.282
    8    H    MET   2           H        MET   2   1.458   7.761  -9.426
    9    HA   MET   2           HA       MET   2   1.236   8.476  -7.411
   10   1HB   MET   2          1HB       MET   2   1.056  11.276  -8.529
   11   2HB   MET   2          2HB       MET   2   1.198  10.862  -6.825
   12   1HG   MET   2          1HG       MET   2   3.398   9.826  -7.265
   13   2HG   MET   2          2HG       MET   2   3.251  10.296  -8.954
   14   1HE   MET   2          1HE       MET   2   6.077  12.595  -7.473
   15   2HE   MET   2          2HE       MET   2   5.685  11.389  -8.699
   16   3HE   MET   2          3HE       MET   2   5.704  10.940  -6.994
   17    H    THR   3           H        THR   3  -0.510   7.956  -6.383
   18    HA   THR   3           HA       THR   3  -3.019   8.986  -7.414
   19    HB   THR   3           HB       THR   3  -2.419   6.393  -6.058
   20    HG1  THR   3           HG1      THR   3  -2.950   7.129  -8.766
   21   1HG2  THR   3          1HG2      THR   3  -5.028   7.414  -7.223
   22   2HG2  THR   3          2HG2      THR   3  -4.695   7.130  -5.514
   23   3HG2  THR   3          3HG2      THR   3  -4.761   5.772  -6.636
   24    H    PHE   4           H        PHE   4  -4.202  10.172  -6.033
   25    HA   PHE   4           HA       PHE   4  -3.843   9.817  -3.142
   26   1HB   PHE   4          1HB       PHE   4  -4.360  12.427  -4.565
   27   2HB   PHE   4          2HB       PHE   4  -4.082  12.181  -2.834
   28    HD1  PHE   4           HD1      PHE   4  -1.851  11.607  -2.005
   29    HD2  PHE   4           HD2      PHE   4  -2.512  12.462  -6.112
   30    HE1  PHE   4           HE1      PHE   4   0.577  11.771  -2.364
   31    HE2  PHE   4           HE2      PHE   4  -0.099  12.639  -6.476
   32    HZ   PHE   4           HZ       PHE   4   1.448  12.267  -4.608
   33    H    CYS   5           H        CYS   5  -5.618   8.862  -5.262
   34    HA   CYS   5           HA       CYS   5  -8.207  10.046  -4.715
   35   1HB   CYS   5          1HB       CYS   5  -7.464   7.676  -6.426
   36   2HB   CYS   5          2HB       CYS   5  -8.942   8.630  -6.501
   37    HG   CYS   5           HG       CYS   5  -7.262   9.125  -8.750
   38    H    LEU   6           H        LEU   6  -8.421   9.522  -2.541
   39    HA   LEU   6           HA       LEU   6  -8.229   6.769  -1.885
   40   1HB   LEU   6          1HB       LEU   6  -8.609   7.399   0.484
   41   2HB   LEU   6          2HB       LEU   6  -7.183   8.043  -0.251
   42    HG   LEU   6           HG       LEU   6  -8.018   9.525   1.308
   43   1HD1  LEU   6          1HD1      LEU   6  -8.318  11.615   0.114
   44   2HD1  LEU   6          2HD1      LEU   6  -8.616  10.728  -1.370
   45   3HD1  LEU   6          3HD1      LEU   6  -7.039  10.619  -0.582
   46   1HD2  LEU   6          1HD2      LEU   6 -10.226  10.641   1.183
   47   2HD2  LEU   6          2HD2      LEU   6 -10.306   8.911   1.510
   48   3HD2  LEU   6          3HD2      LEU   6 -10.673   9.520  -0.105
   49    H    GLU   7           H        GLU   7 -10.788   9.088  -2.110
   50    HA   GLU   7           HA       GLU   7 -12.717   7.254  -1.129
   51   1HB   GLU   7          1HB       GLU   7 -13.251   9.532  -0.913
   52   2HB   GLU   7          2HB       GLU   7 -12.863   9.896  -2.569
   53   1HG   GLU   7          1HG       GLU   7 -14.919   8.547  -3.190
   54   2HG   GLU   7          2HG       GLU   7 -15.296   8.507  -1.469
   55    H    THR   8           H        THR   8 -10.997   7.224  -3.758
   56    HA   THR   8           HA       THR   8 -12.830   6.238  -5.693
   57    HB   THR   8           HB       THR   8  -9.800   6.091  -5.675
   58    HG1  THR   8           HG1      THR   8 -11.637   8.089  -6.036
   59   1HG2  THR   8          1HG2      THR   8 -11.800   6.000  -7.959
   60   2HG2  THR   8          2HG2      THR   8 -10.892   4.614  -7.352
   61   3HG2  THR   8          3HG2      THR   8 -10.043   5.956  -8.123
   62    H    TYR   9           H        TYR   9 -11.011   4.968  -2.983
   63    HA   TYR   9           HA       TYR   9 -10.922   2.257  -3.826
   64   1HB   TYR   9          1HB       TYR   9 -10.404   1.644  -1.571
   65   2HB   TYR   9          2HB       TYR   9  -9.708   3.237  -1.736
   66    HD1  TYR   9           HD1      TYR   9 -10.155   4.799  -0.009
   67    HD2  TYR   9           HD2      TYR   9 -12.748   1.487  -0.424
   68    HE1  TYR   9           HE1      TYR   9 -11.243   5.397   2.100
   69    HE2  TYR   9           HE2      TYR   9 -13.852   2.081   1.698
   70    HH   TYR   9           HH       TYR   9 -13.180   3.319   3.779
   71    H    LEU  10           H        LEU  10 -13.221   4.305  -2.466
   72    HA   LEU  10           HA       LEU  10 -15.206   2.440  -1.803
   73   1HB   LEU  10          1HB       LEU  10 -14.790   5.282  -1.891
   74   2HB   LEU  10          2HB       LEU  10 -16.458   4.909  -2.096
   75    HG   LEU  10           HG       LEU  10 -14.677   4.025   0.201
   76   1HD1  LEU  10          1HD1      LEU  10 -16.839   6.149   0.083
   77   2HD1  LEU  10          2HD1      LEU  10 -15.106   6.454   0.207
   78   3HD1  LEU  10          3HD1      LEU  10 -15.959   5.665   1.532
   79   1HD2  LEU  10          1HD2      LEU  10 -16.763   3.366   1.311
   80   2HD2  LEU  10          2HD2      LEU  10 -16.492   2.450  -0.168
   81   3HD2  LEU  10          3HD2      LEU  10 -17.662   3.769  -0.149
   82    H    GLN  11           H        GLN  11 -14.441   4.353  -4.621
   83    HA   GLN  11           HA       GLN  11 -16.825   3.645  -6.040
   84   1HB   GLN  11          1HB       GLN  11 -14.246   4.915  -6.967
   85   2HB   GLN  11          2HB       GLN  11 -15.623   4.628  -8.016
   86   1HG   GLN  11          1HG       GLN  11 -15.592   6.406  -5.583
   87   2HG   GLN  11          2HG       GLN  11 -15.561   6.938  -7.264
   88   1HE2  GLN  11          1HE2      GLN  11 -17.523   5.738  -4.687
   89   2HE2  GLN  11          2HE2      GLN  11 -19.034   5.896  -5.491
   90    H    GLN  12           H        GLN  12 -13.629   2.336  -5.658
   91    HA   GLN  12           HA       GLN  12 -14.020   0.461  -7.790
   92   1HB   GLN  12          1HB       GLN  12 -11.860   0.450  -5.658
   93   2HB   GLN  12          2HB       GLN  12 -11.873  -0.550  -7.102
   94   1HG   GLN  12          1HG       GLN  12 -11.763   1.542  -8.468
   95   2HG   GLN  12          2HG       GLN  12 -11.596   2.444  -6.968
   96   1HE2  GLN  12          1HE2      GLN  12 -10.030   0.350  -9.224
   97   2HE2  GLN  12          2HE2      GLN  12  -8.451   0.466  -8.565
   98    H    SER  13           H        SER  13 -14.913   0.732  -4.587
   99    HA   SER  13           HA       SER  13 -16.273  -0.409  -3.332
  100   1HB   SER  13          1HB       SER  13 -16.392  -2.438  -5.571
  101   2HB   SER  13          2HB       SER  13 -17.467  -2.404  -4.167
  102    HG   SER  13           HG       SER  13 -17.778  -0.087  -4.940
  103    H    GLY  14           H        GLY  14 -13.507  -0.611  -3.140
  104   1HA   GLY  14          1HA       GLY  14 -13.340  -3.138  -1.715
  105   2HA   GLY  14          2HA       GLY  14 -12.056  -2.687  -2.830
  106    H    GLU  15           H        GLU  15 -13.631  -1.958   0.201
  107    HA   GLU  15           HA       GLU  15 -12.099   0.212   0.792
  108   1HB   GLU  15          1HB       GLU  15 -12.610  -0.340   3.261
  109   2HB   GLU  15          2HB       GLU  15 -13.947   0.023   2.192
  110   1HG   GLU  15          1HG       GLU  15 -13.166  -2.811   2.659
  111   2HG   GLU  15          2HG       GLU  15 -14.075  -1.931   3.880
  112    H    TYR  16           H        TYR  16 -10.179   0.564   1.367
  113    HA   TYR  16           HA       TYR  16  -8.385  -1.516   2.388
  114   1HB   TYR  16          1HB       TYR  16  -8.361  -1.590  -0.072
  115   2HB   TYR  16          2HB       TYR  16  -8.061   0.128  -0.133
  116    HD1  TYR  16           HD1      TYR  16  -6.550  -3.056   1.084
  117    HD2  TYR  16           HD2      TYR  16  -5.880   0.877  -0.388
  118    HE1  TYR  16           HE1      TYR  16  -4.152  -3.540   0.876
  119    HE2  TYR  16           HE2      TYR  16  -3.481   0.406  -0.586
  120    HH   TYR  16           HH       TYR  16  -1.835  -1.114   0.315
  121    H    GLU  17           H        GLU  17  -9.769   1.275   2.965
  122    HA   GLU  17           HA       GLU  17  -7.421   2.586   4.033
  123   1HB   GLU  17          1HB       GLU  17  -9.305   3.917   2.124
  124   2HB   GLU  17          2HB       GLU  17  -8.125   4.755   3.098
  125   1HG   GLU  17          1HG       GLU  17  -6.354   3.526   1.886
  126   2HG   GLU  17          2HG       GLU  17  -7.615   2.827   0.860
  127    H    ILE  18           H        ILE  18  -8.275   4.731   5.036
  128    HA   ILE  18           HA       ILE  18 -10.802   4.040   6.258
  129    HB   ILE  18           HB       ILE  18  -9.068   3.871   7.970
  130   1HG1  ILE  18          1HG1      ILE  18 -10.901   6.211   8.563
  131   2HG1  ILE  18          2HG1      ILE  18 -11.292   4.512   8.767
  132   1HG2  ILE  18          1HG2      ILE  18  -7.383   5.292   7.348
  133   2HG2  ILE  18          2HG2      ILE  18  -7.977   5.940   8.880
  134   3HG2  ILE  18          3HG2      ILE  18  -8.434   6.706   7.359
  135   1HD1  ILE  18          1HD1      ILE  18  -9.195   6.042  10.300
  136   2HD1  ILE  18          2HD1      ILE  18  -9.599   4.340  10.524
  137   3HD1  ILE  18          3HD1      ILE  18 -10.791   5.584  10.895
  138    H    HIS  19           H        HIS  19 -10.225   5.619   3.889
  139    HA   HIS  19           HA       HIS  19 -11.145   7.414   2.700
  140   1HB   HIS  19          1HB       HIS  19 -13.210   6.292   3.672
  141   2HB   HIS  19          2HB       HIS  19 -13.141   7.438   4.999
  142    HD1  HIS  19           HD1      HIS  19 -15.601   8.195   4.244
  143    HD2  HIS  19           HD2      HIS  19 -12.574   8.937   1.491
  144    HE1  HIS  19           HE1      HIS  19 -16.549   9.815   2.595
  145    H    MET  20           H        MET  20  -9.087   7.910   4.432
  146    HA   MET  20           HA       MET  20  -9.616  10.551   5.534
  147   1HB   MET  20          1HB       MET  20  -7.683   8.404   6.057
  148   2HB   MET  20          2HB       MET  20  -7.119  10.036   6.437
  149   1HG   MET  20          1HG       MET  20  -9.517   8.552   7.515
  150   2HG   MET  20          2HG       MET  20  -8.016   8.877   8.380
  151   1HE   MET  20          1HE       MET  20  -9.308   9.873  10.436
  152   2HE   MET  20          2HE       MET  20 -10.828   9.484   9.633
  153   3HE   MET  20          3HE       MET  20 -10.570  11.097  10.301
  154    H    LYS  21           H        LYS  21  -6.466   9.734   4.549
  155    HA   LYS  21           HA       LYS  21  -6.677  11.010   1.974
  156   1HB   LYS  21          1HB       LYS  21  -6.278  12.935   3.491
  157   2HB   LYS  21          2HB       LYS  21  -4.848  12.133   4.126
  158   1HG   LYS  21          1HG       LYS  21  -3.859  12.178   1.860
  159   2HG   LYS  21          2HG       LYS  21  -5.262  13.081   1.298
  160   1HD   LYS  21          1HD       LYS  21  -4.740  14.880   2.834
  161   2HD   LYS  21          2HD       LYS  21  -3.364  13.969   3.464
  162   1HE   LYS  21          1HE       LYS  21  -2.390  13.967   1.185
  163   2HE   LYS  21          2HE       LYS  21  -3.711  14.992   0.644
  164   1HZ   LYS  21          1HZ       LYS  21  -1.595  15.648   2.610
  165   2HZ   LYS  21          2HZ       LYS  21  -2.974  16.609   2.379
  166   3HZ   LYS  21          3HZ       LYS  21  -1.877  16.383   1.122
  167    H    ARG  22           H        ARG  22  -5.346   9.957   0.617
  168    HA   ARG  22           HA       ARG  22  -3.395   8.172   1.878
  169   1HB   ARG  22          1HB       ARG  22  -4.039   6.486   0.349
  170   2HB   ARG  22          2HB       ARG  22  -5.477   7.342   0.629
  171   1HG   ARG  22          1HG       ARG  22  -5.355   8.588  -1.403
  172   2HG   ARG  22          2HG       ARG  22  -3.746   7.963  -1.739
  173   1HD   ARG  22          1HD       ARG  22  -6.240   6.303  -1.549
  174   2HD   ARG  22          2HD       ARG  22  -5.540   6.924  -3.040
  175    HE   ARG  22           HE       ARG  22  -3.463   5.508  -2.165
  176   1HH1  ARG  22          1HH1      ARG  22  -6.827   4.481  -1.759
  177   2HH1  ARG  22          2HH1      ARG  22  -6.521   2.882  -2.210
  178   1HH2  ARG  22          1HH2      ARG  22  -3.038   3.379  -2.653
  179   2HH2  ARG  22          2HH2      ARG  22  -4.261   2.193  -2.714
  180    H    ALA  23           H        ALA  23  -1.359   7.925   0.727
  181    HA   ALA  23           HA       ALA  23  -0.897   9.832  -1.437
  182   1HB   ALA  23          1HB       ALA  23   0.947   9.432   0.925
  183   2HB   ALA  23          2HB       ALA  23  -0.064  10.849   0.644
  184   3HB   ALA  23          3HB       ALA  23   1.255  10.473  -0.465
  185    H    GLY  24           H        GLY  24  -0.932   8.164  -2.958
  186   1HA   GLY  24          1HA       GLY  24   1.078   6.088  -2.590
  187   2HA   GLY  24          2HA       GLY  24  -0.345   5.938  -3.616
  188    H    PHE  25           H        PHE  25   2.793   7.333  -3.232
  189    HA   PHE  25           HA       PHE  25   2.786   8.670  -5.736
  190   1HB   PHE  25          1HB       PHE  25   5.140   7.924  -4.000
  191   2HB   PHE  25          2HB       PHE  25   5.173   9.040  -5.360
  192    HD1  PHE  25           HD1      PHE  25   4.234   8.542  -1.913
  193    HD2  PHE  25           HD2      PHE  25   4.094  11.213  -5.202
  194    HE1  PHE  25           HE1      PHE  25   3.642  10.368  -0.391
  195    HE2  PHE  25           HE2      PHE  25   3.498  13.057  -3.683
  196    HZ   PHE  25           HZ       PHE  25   3.272  12.636  -1.280
  197    H    ARG  26           H        ARG  26   4.857   6.040  -4.679
  198    HA   ARG  26           HA       ARG  26   5.175   5.304  -7.472
  199   1HB   ARG  26          1HB       ARG  26   6.520   4.130  -5.052
  200   2HB   ARG  26          2HB       ARG  26   6.865   3.686  -6.710
  201   1HG   ARG  26          1HG       ARG  26   7.560   6.055  -7.100
  202   2HG   ARG  26          2HG       ARG  26   7.414   6.321  -5.359
  203   1HD   ARG  26          1HD       ARG  26   8.993   4.463  -4.961
  204   2HD   ARG  26          2HD       ARG  26   9.199   4.271  -6.691
  205    HE   ARG  26           HE       ARG  26   9.963   6.722  -5.237
  206   1HH1  ARG  26          1HH1      ARG  26  10.660   4.417  -7.812
  207   2HH1  ARG  26          2HH1      ARG  26  12.287   4.896  -8.013
  208   1HH2  ARG  26          1HH2      ARG  26  12.199   7.356  -5.488
  209   2HH2  ARG  26          2HH2      ARG  26  13.185   6.604  -6.659
  210    H    GLU  27           H        GLU  27   3.598   4.118  -4.654
  211    HA   GLU  27           HA       GLU  27   3.106   1.545  -5.809
  212   1HB   GLU  27          1HB       GLU  27   2.453   2.775  -3.237
  213   2HB   GLU  27          2HB       GLU  27   1.338   1.507  -3.780
  214   1HG   GLU  27          1HG       GLU  27   3.013  -0.052  -3.792
  215   2HG   GLU  27          2HG       GLU  27   4.287   1.165  -3.747
  216    H    CYS  28           H        CYS  28   1.769   4.474  -6.475
  217    HA   CYS  28           HA       CYS  28  -0.874   4.044  -6.901
  218   1HB   CYS  28          1HB       CYS  28  -0.646   5.640  -8.764
  219   2HB   CYS  28          2HB       CYS  28   0.318   6.110  -7.367
  220    HG   CYS  28           HG       CYS  28   2.656   6.019  -8.451
  221    H    ALA  29           H        ALA  29   1.854   2.846  -8.820
  222    HA   ALA  29           HA       ALA  29   0.267   1.675 -10.897
  223   1HB   ALA  29          1HB       ALA  29   2.351   0.659 -11.637
  224   2HB   ALA  29          2HB       ALA  29   3.128   1.119 -10.123
  225   3HB   ALA  29          3HB       ALA  29   2.600   2.363 -11.257
  226    H    ALA  30           H        ALA  30   1.809   0.492  -7.976
  227    HA   ALA  30           HA       ALA  30   1.288  -2.220  -8.247
  228   1HB   ALA  30          1HB       ALA  30   1.424  -0.590  -5.717
  229   2HB   ALA  30          2HB       ALA  30   2.807  -1.261  -6.578
  230   3HB   ALA  30          3HB       ALA  30   1.618  -2.339  -5.843
  231    H    MET  31           H        MET  31  -0.547   0.304  -6.569
  232    HA   MET  31           HA       MET  31  -2.581  -1.283  -5.544
  233   1HB   MET  31          1HB       MET  31  -4.019   0.655  -5.298
  234   2HB   MET  31          2HB       MET  31  -2.371   1.085  -4.885
  235   1HG   MET  31          1HG       MET  31  -2.087   2.249  -6.952
  236   2HG   MET  31          2HG       MET  31  -3.625   1.653  -7.553
  237   1HE   MET  31          1HE       MET  31  -5.616   2.019  -5.124
  238   2HE   MET  31          2HE       MET  31  -5.971   2.518  -6.777
  239   3HE   MET  31          3HE       MET  31  -6.217   3.646  -5.444
  240    H    ILE  32           H        ILE  32  -2.352   0.034  -8.780
  241    HA   ILE  32           HA       ILE  32  -4.970  -0.381  -9.647
  242    HB   ILE  32           HB       ILE  32  -2.376  -0.531 -11.213
  243   1HG1  ILE  32          1HG1      ILE  32  -4.321   1.756 -10.850
  244   2HG1  ILE  32          2HG1      ILE  32  -2.752   1.619 -10.072
  245   1HG2  ILE  32          1HG2      ILE  32  -3.740  -0.083 -13.213
  246   2HG2  ILE  32          2HG2      ILE  32  -5.199  -0.205 -12.229
  247   3HG2  ILE  32          3HG2      ILE  32  -4.170  -1.618 -12.452
  248   1HD1  ILE  32          1HD1      ILE  32  -1.664   1.732 -12.263
  249   2HD1  ILE  32          2HD1      ILE  32  -2.663   3.149 -11.954
  250   3HD1  ILE  32          3HD1      ILE  32  -3.243   1.878 -13.034
  251    H    GLU  33           H        GLU  33  -2.176  -2.502  -9.792
  252    HA   GLU  33           HA       GLU  33  -3.855  -4.580 -10.892
  253   1HB   GLU  33          1HB       GLU  33  -0.916  -4.656 -10.239
  254   2HB   GLU  33          2HB       GLU  33  -1.809  -5.946 -11.045
  255   1HG   GLU  33          1HG       GLU  33  -2.415  -4.302 -12.824
  256   2HG   GLU  33          2HG       GLU  33  -1.305  -3.172 -12.062
  257    H    LYS  34           H        LYS  34  -2.589  -3.730  -7.803
  258    HA   LYS  34           HA       LYS  34  -2.853  -6.085  -6.376
  259   1HB   LYS  34          1HB       LYS  34  -3.009  -3.202  -5.770
  260   2HB   LYS  34          2HB       LYS  34  -3.515  -4.330  -4.530
  261   1HG   LYS  34          1HG       LYS  34  -1.386  -5.234  -4.296
  262   2HG   LYS  34          2HG       LYS  34  -0.838  -4.651  -5.861
  263   1HD   LYS  34          1HD       LYS  34   0.076  -3.503  -3.852
  264   2HD   LYS  34          2HD       LYS  34  -0.630  -2.462  -5.075
  265   1HE   LYS  34          1HE       LYS  34  -1.237  -1.760  -2.754
  266   2HE   LYS  34          2HE       LYS  34  -2.648  -2.171  -3.714
  267   1HZ   LYS  34          1HZ       LYS  34  -1.422  -4.188  -1.947
  268   2HZ   LYS  34          2HZ       LYS  34  -3.043  -4.077  -2.424
  269   3HZ   LYS  34          3HZ       LYS  34  -2.389  -2.986  -1.322
  270    H    LYS  35           H        LYS  35  -5.265  -4.040  -7.697
  271    HA   LYS  35           HA       LYS  35  -7.436  -4.517  -6.026
  272   1HB   LYS  35          1HB       LYS  35  -7.465  -2.834  -7.807
  273   2HB   LYS  35          2HB       LYS  35  -7.437  -4.102  -9.024
  274   1HG   LYS  35          1HG       LYS  35  -9.612  -4.913  -8.142
  275   2HG   LYS  35          2HG       LYS  35  -9.648  -3.518  -7.068
  276   1HD   LYS  35          1HD       LYS  35  -9.673  -2.020  -8.960
  277   2HD   LYS  35          2HD       LYS  35  -9.496  -3.381 -10.076
  278   1HE   LYS  35          1HE       LYS  35 -11.615  -4.294  -9.258
  279   2HE   LYS  35          2HE       LYS  35 -11.809  -2.891  -8.211
  280   1HZ   LYS  35          1HZ       LYS  35 -11.857  -1.490 -10.210
  281   2HZ   LYS  35          2HZ       LYS  35 -13.070  -2.656 -10.265
  282   3HZ   LYS  35          3HZ       LYS  35 -11.682  -2.854 -11.176
  283    H    ALA  36           H        ALA  36  -5.863  -6.642  -8.234
  284    HA   ALA  36           HA       ALA  36  -8.058  -8.402  -8.683
  285   1HB   ALA  36          1HB       ALA  36  -6.180  -8.306 -10.244
  286   2HB   ALA  36          2HB       ALA  36  -6.350  -9.939  -9.606
  287   3HB   ALA  36          3HB       ALA  36  -5.089  -8.870  -8.987
  288    H    ARG  37           H        ARG  37  -5.050  -8.842  -6.836
  289    HA   ARG  37           HA       ARG  37  -6.342  -9.543  -4.488
  290   1HB   ARG  37          1HB       ARG  37  -5.510 -11.842  -4.185
  291   2HB   ARG  37          2HB       ARG  37  -6.900 -11.676  -5.262
  292   1HG   ARG  37          1HG       ARG  37  -5.295 -11.962  -7.162
  293   2HG   ARG  37          2HG       ARG  37  -4.017 -12.248  -5.972
  294   1HD   ARG  37          1HD       ARG  37  -5.350 -14.112  -5.050
  295   2HD   ARG  37          2HD       ARG  37  -6.542 -13.855  -6.320
  296    HE   ARG  37           HE       ARG  37  -3.844 -14.309  -7.206
  297   1HH1  ARG  37          1HH1      ARG  37  -6.964 -15.795  -6.428
  298   2HH1  ARG  37          2HH1      ARG  37  -6.685 -17.222  -7.309
  299   1HH2  ARG  37          1HH2      ARG  37  -3.431 -16.286  -8.423
  300   2HH2  ARG  37          2HH2      ARG  37  -4.633 -17.492  -8.505
  301    H    ARG  38           H        ARG  38  -3.255 -10.338  -6.064
  302    HA   ARG  38           HA       ARG  38  -2.146  -8.645  -4.161
  303   1HB   ARG  38          1HB       ARG  38  -0.453 -10.221  -3.212
  304   2HB   ARG  38          2HB       ARG  38  -2.103 -10.631  -2.795
  305   1HG   ARG  38          1HG       ARG  38  -2.105 -12.494  -4.261
  306   2HG   ARG  38          2HG       ARG  38  -0.577 -11.994  -5.000
  307   1HD   ARG  38          1HD       ARG  38   0.547 -12.289  -2.834
  308   2HD   ARG  38          2HD       ARG  38  -0.973 -12.816  -2.127
  309    HE   ARG  38           HE       ARG  38  -0.867 -14.783  -3.442
  310   1HH1  ARG  38          1HH1      ARG  38   2.074 -12.835  -3.789
  311   2HH1  ARG  38          2HH1      ARG  38   3.108 -14.162  -4.016
  312   1HH2  ARG  38          1HH2      ARG  38   0.567 -16.603  -3.724
  313   2HH2  ARG  38          2HH2      ARG  38   2.227 -16.371  -3.998
  314    H    VAL  39           H        VAL  39  -0.522  -7.544  -5.274
  315    HA   VAL  39           HA       VAL  39   0.845  -8.956  -7.435
  316    HB   VAL  39           HB       VAL  39  -0.358  -6.152  -7.622
  317   1HG1  VAL  39          1HG1      VAL  39   0.604  -6.006  -9.873
  318   2HG1  VAL  39          2HG1      VAL  39   1.426  -7.543  -9.633
  319   3HG1  VAL  39          3HG1      VAL  39   1.879  -6.146  -8.662
  320   1HG2  VAL  39          1HG2      VAL  39  -0.779  -8.615  -9.293
  321   2HG2  VAL  39          2HG2      VAL  39  -1.618  -7.066  -9.457
  322   3HG2  VAL  39          3HG2      VAL  39  -1.854  -8.051  -8.019
  323    H    VAL  40           H        VAL  40   2.951  -8.376  -7.799
  324    HA   VAL  40           HA       VAL  40   4.162  -6.986  -5.582
  325    HB   VAL  40           HB       VAL  40   5.144  -9.186  -5.808
  326   1HG1  VAL  40          1HG1      VAL  40   5.569  -8.554  -8.728
  327   2HG1  VAL  40          2HG1      VAL  40   4.414  -9.714  -8.066
  328   3HG1  VAL  40          3HG1      VAL  40   6.148  -9.998  -7.904
  329   1HG2  VAL  40          1HG2      VAL  40   7.056  -7.241  -7.116
  330   2HG2  VAL  40          2HG2      VAL  40   7.506  -8.765  -6.348
  331   3HG2  VAL  40          3HG2      VAL  40   6.823  -7.458  -5.382
  332    H    HIS  41           H        HIS  41   5.458  -5.207  -5.828
  333    HA   HIS  41           HA       HIS  41   5.805  -4.271  -8.529
  334   1HB   HIS  41          1HB       HIS  41   3.702  -3.280  -7.638
  335   2HB   HIS  41          2HB       HIS  41   4.606  -2.622  -6.288
  336    HD1  HIS  41           HD1      HIS  41   5.515  -0.259  -6.626
  337    HD2  HIS  41           HD2      HIS  41   4.400  -2.096 -10.186
  338    HE1  HIS  41           HE1      HIS  41   5.739   1.474  -8.414
  339    H    ILE  42           H        ILE  42   7.841  -3.472  -8.705
  340    HA   ILE  42           HA       ILE  42   9.400  -3.253  -6.277
  341    HB   ILE  42           HB       ILE  42  10.379  -4.568  -8.155
  342   1HG1  ILE  42          1HG1      ILE  42  11.908  -2.007  -7.601
  343   2HG1  ILE  42          2HG1      ILE  42  11.884  -3.425  -6.569
  344   1HG2  ILE  42          1HG2      ILE  42  10.341  -1.977  -9.693
  345   2HG2  ILE  42          2HG2      ILE  42   9.390  -3.421 -10.042
  346   3HG2  ILE  42          3HG2      ILE  42  11.145  -3.460 -10.210
  347   1HD1  ILE  42          1HD1      ILE  42  12.988  -4.716  -8.320
  348   2HD1  ILE  42          2HD1      ILE  42  13.932  -3.298  -7.861
  349   3HD1  ILE  42          3HD1      ILE  42  13.002  -3.291  -9.359
  350    H    LYS  43           H        LYS  43  10.438  -1.352  -5.686
  351    HA   LYS  43           HA       LYS  43  10.681   0.829  -5.359
  352   1HB   LYS  43          1HB       LYS  43   9.793   1.179  -8.229
  353   2HB   LYS  43          2HB       LYS  43  10.437   2.462  -7.223
  354   1HG   LYS  43          1HG       LYS  43  12.579   1.271  -7.091
  355   2HG   LYS  43          2HG       LYS  43  11.922  -0.011  -8.105
  356   1HD   LYS  43          1HD       LYS  43  12.181   2.876  -8.934
  357   2HD   LYS  43          2HD       LYS  43  13.343   1.614  -9.340
  358   1HE   LYS  43          1HE       LYS  43  11.596   0.403 -10.566
  359   2HE   LYS  43          2HE       LYS  43  10.426   1.649 -10.137
  360   1HZ   LYS  43          1HZ       LYS  43  12.864   2.095 -11.767
  361   2HZ   LYS  43          2HZ       LYS  43  11.701   3.251 -11.404
  362   3HZ   LYS  43          3HZ       LYS  43  11.309   1.930 -12.378
  363    HA   PRO  44           HA       PRO  44   6.082   1.313  -4.774
  364   1HB   PRO  44          1HB       PRO  44   5.870   0.613  -2.224
  365   2HB   PRO  44          2HB       PRO  44   5.977  -0.598  -3.518
  366   1HG   PRO  44          1HG       PRO  44   8.191   0.488  -1.805
  367   2HG   PRO  44          2HG       PRO  44   7.736  -1.214  -2.015
  368   1HD   PRO  44          1HD       PRO  44   9.678  -0.174  -3.466
  369   2HD   PRO  44          2HD       PRO  44   8.489  -1.280  -4.183
  370    H    GLY  45           H        GLY  45   5.029   2.819  -3.065
  371   1HA   GLY  45          1HA       GLY  45   6.535   4.337  -1.305
  372   2HA   GLY  45          2HA       GLY  45   6.513   5.182  -2.846
  373    H    GLU  46           H        GLU  46   4.060   3.323  -1.002
  374    HA   GLU  46           HA       GLU  46   2.451   5.745  -1.055
  375   1HB   GLU  46          1HB       GLU  46   1.385   4.195  -2.526
  376   2HB   GLU  46          2HB       GLU  46   1.579   2.882  -1.386
  377   1HG   GLU  46          1HG       GLU  46  -0.081   3.703   0.010
  378   2HG   GLU  46          2HG       GLU  46  -0.104   5.277  -0.780
  379    H    LYS  47           H        LYS  47   1.492   6.406   0.688
  380    HA   LYS  47           HA       LYS  47   1.690   4.834   3.112
  381   1HB   LYS  47          1HB       LYS  47   2.932   7.344   2.510
  382   2HB   LYS  47          2HB       LYS  47   1.664   7.620   3.700
  383   1HG   LYS  47          1HG       LYS  47   3.770   5.501   4.004
  384   2HG   LYS  47          2HG       LYS  47   3.950   7.136   4.633
  385   1HD   LYS  47          1HD       LYS  47   2.191   6.894   6.092
  386   2HD   LYS  47          2HD       LYS  47   1.587   5.413   5.345
  387   1HE   LYS  47          1HE       LYS  47   3.775   4.354   6.029
  388   2HE   LYS  47          2HE       LYS  47   4.145   5.842   6.896
  389   1HZ   LYS  47          1HZ       LYS  47   2.150   5.455   8.262
  390   2HZ   LYS  47          2HZ       LYS  47   3.288   4.263   8.381
  391   3HZ   LYS  47          3HZ       LYS  47   1.900   3.974   7.482
  392    H    ILE  48           H        ILE  48  -0.349   4.329   3.561
  393    HA   ILE  48           HA       ILE  48  -2.335   6.176   2.586
  394    HB   ILE  48           HB       ILE  48  -3.999   4.374   2.950
  395   1HG1  ILE  48          1HG1      ILE  48  -1.571   2.590   3.275
  396   2HG1  ILE  48          2HG1      ILE  48  -2.738   2.976   4.535
  397   1HG2  ILE  48          1HG2      ILE  48  -3.136   4.867   0.734
  398   2HG2  ILE  48          2HG2      ILE  48  -3.436   3.142   0.916
  399   3HG2  ILE  48          3HG2      ILE  48  -1.792   3.762   1.011
  400   1HD1  ILE  48          1HD1      ILE  48  -3.128   0.752   3.566
  401   2HD1  ILE  48          2HD1      ILE  48  -3.349   1.493   1.985
  402   3HD1  ILE  48          3HD1      ILE  48  -4.486   1.838   3.286
  403    H    LEU  49           H        LEU  49  -3.312   7.422   3.802
  404    HA   LEU  49           HA       LEU  49  -4.253   8.521   5.474
  405   1HB   LEU  49          1HB       LEU  49  -4.842   5.955   6.904
  406   2HB   LEU  49          2HB       LEU  49  -5.765   7.431   6.899
  407    HG   LEU  49           HG       LEU  49  -7.121   6.112   5.669
  408   1HD1  LEU  49          1HD1      LEU  49  -7.022   6.499   3.315
  409   2HD1  LEU  49          2HD1      LEU  49  -5.409   7.176   3.513
  410   3HD1  LEU  49          3HD1      LEU  49  -6.787   7.949   4.286
  411   1HD2  LEU  49          1HD2      LEU  49  -6.304   4.363   4.043
  412   2HD2  LEU  49          2HD2      LEU  49  -5.987   4.093   5.750
  413   3HD2  LEU  49          3HD2      LEU  49  -4.690   4.665   4.710
  414    H    GLY  50           H        GLY  50  -1.389   7.502   5.896
  415   1HA   GLY  50          1HA       GLY  50   0.142   8.069   7.545
  416   2HA   GLY  50          2HA       GLY  50  -1.190   8.470   8.624
  417    H    ALA  51           H        ALA  51  -2.611   6.163   8.542
  418    HA   ALA  51           HA       ALA  51  -0.846   4.096   9.614
  419   1HB   ALA  51          1HB       ALA  51  -3.550   4.947  10.669
  420   2HB   ALA  51          2HB       ALA  51  -2.003   5.256  11.452
  421   3HB   ALA  51          3HB       ALA  51  -2.582   3.599  11.272
  422    H    ARG  52           H        ARG  52  -1.133   2.284   8.581
  423    HA   ARG  52           HA       ARG  52  -2.924   2.044   6.416
  424   1HB   ARG  52          1HB       ARG  52  -0.743   0.995   6.430
  425   2HB   ARG  52          2HB       ARG  52  -1.184   0.022   7.817
  426   1HG   ARG  52          1HG       ARG  52  -2.822  -1.176   6.460
  427   2HG   ARG  52          2HG       ARG  52  -2.386  -0.184   5.066
  428   1HD   ARG  52          1HD       ARG  52  -1.238  -2.346   5.018
  429   2HD   ARG  52          2HD       ARG  52  -0.102  -1.005   5.170
  430    HE   ARG  52           HE       ARG  52  -0.957  -2.205   7.646
  431   1HH1  ARG  52          1HH1      ARG  52   1.583  -2.040   5.180
  432   2HH1  ARG  52          2HH1      ARG  52   2.728  -2.890   6.097
  433   1HH2  ARG  52          1HH2      ARG  52   0.630  -3.280   8.946
  434   2HH2  ARG  52          2HH2      ARG  52   2.172  -3.613   8.326
  435    H    ILE  53           H        ILE  53  -5.083   2.109   6.968
  436    HA   ILE  53           HA       ILE  53  -6.061  -0.056   8.674
  437    HB   ILE  53           HB       ILE  53  -7.242   2.708   8.214
  438   1HG1  ILE  53          1HG1      ILE  53  -6.068   1.500  10.732
  439   2HG1  ILE  53          2HG1      ILE  53  -5.273   2.695   9.716
  440   1HG2  ILE  53          1HG2      ILE  53  -8.944   2.058   9.878
  441   2HG2  ILE  53          2HG2      ILE  53  -8.247   0.439   9.942
  442   3HG2  ILE  53          3HG2      ILE  53  -8.991   1.018   8.452
  443   1HD1  ILE  53          1HD1      ILE  53  -7.814   3.087  11.277
  444   2HD1  ILE  53          2HD1      ILE  53  -7.056   4.291  10.234
  445   3HD1  ILE  53          3HD1      ILE  53  -6.221   3.726  11.680
  446    H    ILE  54           H        ILE  54  -7.237  -1.463   7.552
  447    HA   ILE  54           HA       ILE  54  -7.836  -0.961   4.771
  448    HB   ILE  54           HB       ILE  54  -8.407  -3.350   6.543
  449   1HG1  ILE  54          1HG1      ILE  54  -6.008  -3.002   6.381
  450   2HG1  ILE  54          2HG1      ILE  54  -6.458  -4.412   5.434
  451   1HG2  ILE  54          1HG2      ILE  54  -8.494  -3.190   3.539
  452   2HG2  ILE  54          2HG2      ILE  54  -9.884  -3.290   4.616
  453   3HG2  ILE  54          3HG2      ILE  54  -8.750  -4.637   4.516
  454   1HD1  ILE  54          1HD1      ILE  54  -6.307  -3.064   3.391
  455   2HD1  ILE  54          2HD1      ILE  54  -4.790  -3.097   4.286
  456   3HD1  ILE  54          3HD1      ILE  54  -5.822  -1.669   4.357
  457    H    GLY  55           H        GLY  55  -9.440  -1.356   7.806
  458   1HA   GLY  55          1HA       GLY  55 -11.533  -0.389   8.397
  459   2HA   GLY  55          2HA       GLY  55 -11.942  -0.308   6.684
  460    H    ILE  56           H        ILE  56 -10.632  -3.154   6.881
  461    HA   ILE  56           HA       ILE  56 -12.957  -4.653   7.808
  462    HB   ILE  56           HB       ILE  56 -11.609  -4.828   5.098
  463   1HG1  ILE  56          1HG1      ILE  56 -13.495  -3.310   5.256
  464   2HG1  ILE  56          2HG1      ILE  56 -13.877  -4.665   4.197
  465   1HG2  ILE  56          1HG2      ILE  56 -12.863  -6.889   4.608
  466   2HG2  ILE  56          2HG2      ILE  56 -13.428  -6.935   6.277
  467   3HG2  ILE  56          3HG2      ILE  56 -11.710  -7.116   5.924
  468   1HD1  ILE  56          1HD1      ILE  56 -14.825  -4.265   7.041
  469   2HD1  ILE  56          2HD1      ILE  56 -15.168  -5.678   6.049
  470   3HD1  ILE  56          3HD1      ILE  56 -15.785  -4.098   5.571
  471    HA   PRO  57           HA       PRO  57  -9.686  -6.829   9.953
  472   1HB   PRO  57          1HB       PRO  57 -11.573  -9.113   9.678
  473   2HB   PRO  57          2HB       PRO  57 -10.770  -8.494  11.125
  474   1HG   PRO  57          1HG       PRO  57 -13.344  -8.012  10.713
  475   2HG   PRO  57          2HG       PRO  57 -12.285  -6.753  11.374
  476   1HD   PRO  57          1HD       PRO  57 -13.376  -7.053   8.611
  477   2HD   PRO  57          2HD       PRO  57 -13.116  -5.587   9.581
  478    HA   PRO  58           HA       PRO  58  -8.230  -9.039   6.281
  479   1HB   PRO  58          1HB       PRO  58  -5.565  -8.312   6.812
  480   2HB   PRO  58          2HB       PRO  58  -6.658  -7.510   5.686
  481   1HG   PRO  58          1HG       PRO  58  -5.623  -6.417   8.068
  482   2HG   PRO  58          2HG       PRO  58  -6.938  -5.755   7.088
  483   1HD   PRO  58          1HD       PRO  58  -7.067  -7.363   9.585
  484   2HD   PRO  58          2HD       PRO  58  -8.158  -6.096   8.975
  485    H    VAL  59           H        VAL  59  -6.865 -10.808   6.039
  486    HA   VAL  59           HA       VAL  59  -6.766 -12.552   8.194
  487    HB   VAL  59           HB       VAL  59  -5.320 -12.737   5.514
  488   1HG1  VAL  59          1HG1      VAL  59  -4.245 -14.255   7.155
  489   2HG1  VAL  59          2HG1      VAL  59  -5.063 -15.118   5.857
  490   3HG1  VAL  59          3HG1      VAL  59  -5.815 -15.012   7.445
  491   1HG2  VAL  59          1HG2      VAL  59  -7.737 -12.626   5.358
  492   2HG2  VAL  59          2HG2      VAL  59  -7.884 -13.974   6.481
  493   3HG2  VAL  59          3HG2      VAL  59  -7.154 -14.227   4.898
  494    HA   PRO  60           HA       PRO  60  -3.366 -11.508  10.893
  495   1HB   PRO  60          1HB       PRO  60  -2.389 -14.125  11.223
  496   2HB   PRO  60          2HB       PRO  60  -3.585 -13.284  12.208
  497   1HG   PRO  60          1HG       PRO  60  -3.987 -15.154   9.921
  498   2HG   PRO  60          2HG       PRO  60  -4.910 -15.011  11.429
  499   1HD   PRO  60          1HD       PRO  60  -5.932 -14.069   9.224
  500   2HD   PRO  60          2HD       PRO  60  -6.010 -13.076  10.694
  501    H    ILE  61           H        ILE  61  -2.491 -11.504   7.980
  502    HA   ILE  61           HA       ILE  61  -0.836 -10.949   6.871
  503    HB   ILE  61           HB       ILE  61   1.056 -10.041   7.614
  504   1HG1  ILE  61          1HG1      ILE  61   0.942 -11.503  10.299
  505   2HG1  ILE  61          2HG1      ILE  61   2.015 -11.915   8.969
  506   1HG2  ILE  61          1HG2      ILE  61   0.494  -8.626   9.647
  507   2HG2  ILE  61          2HG2      ILE  61  -0.904  -9.673   9.892
  508   3HG2  ILE  61          3HG2      ILE  61  -0.772  -8.709   8.423
  509   1HD1  ILE  61          1HD1      ILE  61   3.186 -10.716  10.731
  510   2HD1  ILE  61          2HD1      ILE  61   2.073  -9.357  10.556
  511   3HD1  ILE  61          3HD1      ILE  61   3.164  -9.777   9.237
  512    H    GLY  62           H        GLY  62   1.816 -11.635   6.799
  513   1HA   GLY  62          1HA       GLY  62   1.545 -14.452   6.714
  514   2HA   GLY  62          2HA       GLY  62   1.799 -13.579   5.186
  515    H    ILE  63           H        ILE  63   3.822 -13.313   4.559
  516    HA   ILE  63           HA       ILE  63   5.996 -13.561   6.511
  517    HB   ILE  63           HB       ILE  63   5.891 -14.057   3.522
  518   1HG1  ILE  63          1HG1      ILE  63   4.852 -15.846   4.773
  519   2HG1  ILE  63          2HG1      ILE  63   6.388 -16.404   4.123
  520   1HG2  ILE  63          1HG2      ILE  63   8.060 -13.117   4.106
  521   2HG2  ILE  63          2HG2      ILE  63   8.202 -14.814   3.646
  522   3HG2  ILE  63          3HG2      ILE  63   8.268 -14.356   5.346
  523   1HD1  ILE  63          1HD1      ILE  63   6.064 -17.207   6.384
  524   2HD1  ILE  63          2HD1      ILE  63   5.847 -15.564   6.967
  525   3HD1  ILE  63          3HD1      ILE  63   7.415 -16.073   6.337
  526    H    ASP  64           H        ASP  64   7.059 -11.703   6.916
  527    HA   ASP  64           HA       ASP  64   7.153  -9.719   4.789
  528   1HB   ASP  64          1HB       ASP  64   6.695  -7.864   6.239
  529   2HB   ASP  64          2HB       ASP  64   5.433  -9.037   6.560
  530    H    GLU  65           H        GLU  65   9.126  -9.115   4.354
  531    HA   GLU  65           HA       GLU  65  11.167 -10.026   6.230
  532   1HB   GLU  65          1HB       GLU  65  11.395  -9.282   3.317
  533   2HB   GLU  65          2HB       GLU  65  12.716  -9.869   4.316
  534   1HG   GLU  65          1HG       GLU  65  10.206 -11.403   3.639
  535   2HG   GLU  65          2HG       GLU  65  11.788 -11.640   2.901
  536    H    GLU  66           H        GLU  66  10.801  -7.310   3.988
  537    HA   GLU  66           HA       GLU  66  11.182  -5.361   5.983
  538   1HB   GLU  66          1HB       GLU  66  13.548  -6.148   5.757
  539   2HB   GLU  66          2HB       GLU  66  13.472  -5.836   4.031
  540   1HG   GLU  66          1HG       GLU  66  14.714  -4.119   5.309
  541   2HG   GLU  66          2HG       GLU  66  13.352  -3.467   4.411
  542    H    ARG  67           H        ARG  67  11.347  -3.206   4.833
  543    HA   ARG  67           HA       ARG  67   9.239  -3.005   2.902
  544   1HB   ARG  67          1HB       ARG  67  10.259  -1.374   4.766
  545   2HB   ARG  67          2HB       ARG  67  11.168  -0.787   3.390
  546   1HG   ARG  67          1HG       ARG  67   8.161  -0.824   3.655
  547   2HG   ARG  67          2HG       ARG  67   9.205   0.574   3.844
  548   1HD   ARG  67          1HD       ARG  67   9.887   0.285   1.484
  549   2HD   ARG  67          2HD       ARG  67   8.696  -1.003   1.331
  550    HE   ARG  67           HE       ARG  67   8.080   1.837   1.904
  551   1HH1  ARG  67          1HH1      ARG  67   6.825  -1.334   0.946
  552   2HH1  ARG  67          2HH1      ARG  67   5.450  -0.675   0.185
  553   1HH2  ARG  67          1HH2      ARG  67   6.157   2.670   0.889
  554   2HH2  ARG  67          2HH2      ARG  67   5.084   1.600   0.084
  555    H    SER  68           H        SER  68  12.710  -3.006   2.893
  556    HA   SER  68           HA       SER  68  12.888  -2.376   0.104
  557   1HB   SER  68          1HB       SER  68  15.364  -2.571   0.698
  558   2HB   SER  68          2HB       SER  68  14.450  -1.224   1.401
  559    HG   SER  68           HG       SER  68  15.889  -2.728   2.726
  560    H    THR  69           H        THR  69  11.682  -4.766   0.895
  561    HA   THR  69           HA       THR  69  13.165  -6.679  -0.654
  562    HB   THR  69           HB       THR  69  12.427  -7.294   2.219
  563    HG1  THR  69           HG1      THR  69  14.560  -6.056   1.240
  564   1HG2  THR  69          1HG2      THR  69  13.710  -9.369   1.898
  565   2HG2  THR  69          2HG2      THR  69  14.059  -8.895   0.237
  566   3HG2  THR  69          3HG2      THR  69  12.401  -9.255   0.720
  567    H    VAL  70           H        VAL  70  11.689  -8.522  -1.057
  568    HA   VAL  70           HA       VAL  70   8.955  -7.712  -1.319
  569    HB   VAL  70           HB       VAL  70   8.530 -10.061  -2.078
  570   1HG1  VAL  70          1HG1      VAL  70  10.722  -8.576  -3.483
  571   2HG1  VAL  70          2HG1      VAL  70   8.981  -8.362  -3.697
  572   3HG1  VAL  70          3HG1      VAL  70   9.753  -9.866  -4.190
  573   1HG2  VAL  70          1HG2      VAL  70  10.285 -11.223  -0.844
  574   2HG2  VAL  70          2HG2      VAL  70  11.521 -10.370  -1.768
  575   3HG2  VAL  70          3HG2      VAL  70  10.455 -11.519  -2.574
  576    H    MET  71           H        MET  71   7.205  -8.418  -0.261
  577    HA   MET  71           HA       MET  71   7.569 -10.182   2.006
  578   1HB   MET  71          1HB       MET  71   6.093  -8.762   3.374
  579   2HB   MET  71          2HB       MET  71   7.529  -7.861   2.911
  580   1HG   MET  71          1HG       MET  71   6.243  -6.677   1.224
  581   2HG   MET  71          2HG       MET  71   4.821  -7.643   1.604
  582   1HE   MET  71          1HE       MET  71   3.734  -4.182   2.976
  583   2HE   MET  71          2HE       MET  71   3.296  -5.569   1.981
  584   3HE   MET  71          3HE       MET  71   4.639  -4.533   1.502
  585    H    ILE  72           H        ILE  72   5.802 -11.545   2.258
  586    HA   ILE  72           HA       ILE  72   3.701 -11.199   0.260
  587    HB   ILE  72           HB       ILE  72   4.782 -13.875   1.247
  588   1HG1  ILE  72          1HG1      ILE  72   5.164 -12.595  -1.477
  589   2HG1  ILE  72          2HG1      ILE  72   6.407 -12.698  -0.236
  590   1HG2  ILE  72          1HG2      ILE  72   3.362 -14.830  -0.533
  591   2HG2  ILE  72          2HG2      ILE  72   2.786 -13.213  -0.934
  592   3HG2  ILE  72          3HG2      ILE  72   2.407 -13.916   0.638
  593   1HD1  ILE  72          1HD1      ILE  72   5.091 -15.020  -1.630
  594   2HD1  ILE  72          2HD1      ILE  72   6.321 -15.138  -0.372
  595   3HD1  ILE  72          3HD1      ILE  72   6.720 -14.406  -1.926
  596    HA   PRO  73           HA       PRO  73   2.127 -11.309   4.499
  597   1HB   PRO  73          1HB       PRO  73   0.447  -9.079   3.962
  598   2HB   PRO  73          2HB       PRO  73   1.923  -9.087   4.926
  599   1HG   PRO  73          1HG       PRO  73   1.596  -7.772   2.493
  600   2HG   PRO  73          2HG       PRO  73   3.147  -8.174   3.244
  601   1HD   PRO  73          1HD       PRO  73   1.677  -9.575   1.061
  602   2HD   PRO  73          2HD       PRO  73   3.426  -9.365   1.298
  603    H    TYR  74           H        TYR  74   0.404 -12.547   4.954
  604    HA   TYR  74           HA       TYR  74  -1.495 -12.768   2.850
  605   1HB   TYR  74          1HB       TYR  74  -0.939 -14.570   5.208
  606   2HB   TYR  74          2HB       TYR  74  -2.400 -14.737   4.234
  607    HD1  TYR  74           HD1      TYR  74  -2.233 -15.333   1.856
  608    HD2  TYR  74           HD2      TYR  74   1.193 -15.341   4.376
  609    HE1  TYR  74           HE1      TYR  74  -1.023 -16.650   0.189
  610    HE2  TYR  74           HE2      TYR  74   2.421 -16.664   2.707
  611    HH   TYR  74           HH       TYR  74   1.962 -18.149   0.865
  612    H    THR  75           H        THR  75  -1.760 -10.538   3.564
  613    HA   THR  75           HA       THR  75  -3.706 -10.475   5.626
  614    HB   THR  75           HB       THR  75  -3.688  -8.095   5.323
  615    HG1  THR  75           HG1      THR  75  -2.635  -8.207   3.183
  616   1HG2  THR  75          1HG2      THR  75  -1.590  -7.653   6.519
  617   2HG2  THR  75          2HG2      THR  75  -0.990  -9.213   5.992
  618   3HG2  THR  75          3HG2      THR  75  -2.382  -9.128   7.088
  619    H    LYS  76           H        LYS  76  -5.605 -10.986   4.542
  620    HA   LYS  76           HA       LYS  76  -5.916 -10.107   1.788
  621   1HB   LYS  76          1HB       LYS  76  -7.633 -12.024   3.374
  622   2HB   LYS  76          2HB       LYS  76  -7.821 -11.641   1.668
  623   1HG   LYS  76          1HG       LYS  76  -5.626 -12.587   1.184
  624   2HG   LYS  76          2HG       LYS  76  -5.387 -12.934   2.894
  625   1HD   LYS  76          1HD       LYS  76  -6.054 -14.964   1.798
  626   2HD   LYS  76          2HD       LYS  76  -7.390 -14.415   2.804
  627   1HE   LYS  76          1HE       LYS  76  -8.442 -13.416   0.781
  628   2HE   LYS  76          2HE       LYS  76  -7.124 -14.076  -0.178
  629   1HZ   LYS  76          1HZ       LYS  76  -9.068 -15.511  -0.228
  630   2HZ   LYS  76          2HZ       LYS  76  -9.031 -15.656   1.440
  631   3HZ   LYS  76          3HZ       LYS  76  -7.777 -16.296   0.517
  632    HA   PRO  77           HA       PRO  77  -8.622  -7.064   3.609
  633   1HB   PRO  77          1HB       PRO  77  -8.010  -5.118   1.749
  634   2HB   PRO  77          2HB       PRO  77  -7.073  -5.422   3.211
  635   1HG   PRO  77          1HG       PRO  77  -6.283  -5.854   0.484
  636   2HG   PRO  77          2HG       PRO  77  -5.341  -6.134   1.952
  637   1HD   PRO  77          1HD       PRO  77  -6.858  -8.053   0.298
  638   2HD   PRO  77          2HD       PRO  77  -5.493  -8.311   1.415
  639    H    CYS  78           H        CYS  78 -10.042  -5.273   2.036
  640    HA   CYS  78           HA       CYS  78 -11.668  -7.069   0.427
  641   1HB   CYS  78          1HB       CYS  78 -12.673  -5.650   2.260
  642   2HB   CYS  78          2HB       CYS  78 -12.215  -4.229   1.336
  643    HG   CYS  78           HG       CYS  78 -14.569  -4.084   0.355
  644    H    TYR  79           H        TYR  79  -9.024  -5.708  -0.277
  645    HA   TYR  79           HA       TYR  79  -9.917  -4.656  -2.867
  646   1HB   TYR  79          1HB       TYR  79  -9.468  -2.738  -1.393
  647   2HB   TYR  79          2HB       TYR  79  -7.818  -3.312  -1.170
  648    HD1  TYR  79           HD1      TYR  79  -6.124  -2.635  -2.683
  649    HD2  TYR  79           HD2      TYR  79 -10.212  -2.112  -3.736
  650    HE1  TYR  79           HE1      TYR  79  -5.445  -1.303  -4.637
  651    HE2  TYR  79           HE2      TYR  79  -9.546  -0.786  -5.687
  652    HH   TYR  79           HH       TYR  79  -7.698   0.563  -6.400
  653    H    GLY  80           H        GLY  80  -6.800  -5.208  -1.157
  654   1HA   GLY  80          1HA       GLY  80  -6.041  -7.483  -2.471
  655   2HA   GLY  80          2HA       GLY  80  -5.587  -6.168  -3.545
  656    H    THR  81           H        THR  81  -3.905  -8.052  -2.125
  657    HA   THR  81           HA       THR  81  -2.639  -6.679   0.047
  658    HB   THR  81           HB       THR  81  -1.811  -9.199  -1.389
  659    HG1  THR  81           HG1      THR  81  -3.527  -9.271   0.879
  660   1HG2  THR  81          1HG2      THR  81  -1.562  -8.277   1.482
  661   2HG2  THR  81          2HG2      THR  81  -0.263  -8.282   0.289
  662   3HG2  THR  81          3HG2      THR  81  -0.962  -9.806   0.840
  663    H    ALA  82           H        ALA  82  -0.236  -6.291  -0.135
  664    HA   ALA  82           HA       ALA  82   0.444  -5.560  -2.878
  665   1HB   ALA  82          1HB       ALA  82   1.729  -3.670  -1.944
  666   2HB   ALA  82          2HB       ALA  82   1.161  -4.094  -0.337
  667   3HB   ALA  82          3HB       ALA  82   0.019  -3.543  -1.553
  668    H    VAL  83           H        VAL  83   2.283  -6.755  -3.491
  669    HA   VAL  83           HA       VAL  83   4.170  -7.482  -1.387
  670    HB   VAL  83           HB       VAL  83   3.903  -8.569  -4.238
  671   1HG1  VAL  83          1HG1      VAL  83   6.234  -8.617  -3.469
  672   2HG1  VAL  83          2HG1      VAL  83   5.579 -10.251  -3.581
  673   3HG1  VAL  83          3HG1      VAL  83   5.739  -9.470  -2.007
  674   1HG2  VAL  83          1HG2      VAL  83   3.210 -10.678  -3.144
  675   2HG2  VAL  83          2HG2      VAL  83   2.088  -9.349  -2.843
  676   3HG2  VAL  83          3HG2      VAL  83   3.224  -9.844  -1.590
  677    H    VAL  84           H        VAL  84   5.023  -5.471  -1.243
  678    HA   VAL  84           HA       VAL  84   6.120  -4.394  -3.701
  679    HB   VAL  84           HB       VAL  84   6.038  -2.150  -2.449
  680   1HG1  VAL  84          1HG1      VAL  84   4.510  -2.721  -4.235
  681   2HG1  VAL  84          2HG1      VAL  84   3.635  -1.896  -2.940
  682   3HG1  VAL  84          3HG1      VAL  84   3.515  -3.647  -3.115
  683   1HG2  VAL  84          1HG2      VAL  84   4.198  -3.773  -0.687
  684   2HG2  VAL  84          2HG2      VAL  84   4.395  -2.023  -0.643
  685   3HG2  VAL  84          3HG2      VAL  84   5.739  -3.073  -0.188
  686    H    GLU  85           H        GLU  85   8.159  -4.207  -3.986
  687    HA   GLU  85           HA       GLU  85   9.937  -4.535  -1.678
  688   1HB   GLU  85          1HB       GLU  85   9.993  -6.496  -3.132
  689   2HB   GLU  85          2HB       GLU  85  10.361  -5.476  -4.520
  690   1HG   GLU  85          1HG       GLU  85  12.457  -4.789  -3.414
  691   2HG   GLU  85          2HG       GLU  85  12.058  -5.886  -2.093
  692    H    LEU  86           H        LEU  86  11.128  -2.781  -1.333
  693    HA   LEU  86           HA       LEU  86  11.482  -0.840  -3.489
  694   1HB   LEU  86          1HB       LEU  86  10.595  -0.190  -1.226
  695   2HB   LEU  86          2HB       LEU  86  12.138  -0.636  -0.546
  696    HG   LEU  86           HG       LEU  86  13.138   1.095  -2.106
  697   1HD1  LEU  86          1HD1      LEU  86  11.315   1.413  -3.600
  698   2HD1  LEU  86          2HD1      LEU  86  11.682   2.925  -2.775
  699   3HD1  LEU  86          3HD1      LEU  86  10.283   1.970  -2.286
  700   1HD2  LEU  86          1HD2      LEU  86  12.610   2.924  -0.531
  701   2HD2  LEU  86          2HD2      LEU  86  13.003   1.416   0.288
  702   3HD2  LEU  86          3HD2      LEU  86  11.322   1.931   0.150
  703    HA   PRO  87           HA       PRO  87  15.718  -2.353  -3.784
  704   1HB   PRO  87          1HB       PRO  87  16.553  -0.791  -5.800
  705   2HB   PRO  87          2HB       PRO  87  15.388  -2.090  -6.082
  706   1HG   PRO  87          1HG       PRO  87  14.921   0.840  -5.779
  707   2HG   PRO  87          2HG       PRO  87  14.197  -0.296  -6.931
  708   1HD   PRO  87          1HD       PRO  87  12.976   0.560  -4.621
  709   2HD   PRO  87          2HD       PRO  87  12.602  -0.974  -5.432
  710    H    VAL  88           H        VAL  88  14.624   0.532  -2.727
  711    HA   VAL  88           HA       VAL  88  17.243   1.714  -2.139
  712    HB   VAL  88           HB       VAL  88  14.522   2.848  -1.428
  713   1HG1  VAL  88          1HG1      VAL  88  15.659   5.013  -1.485
  714   2HG1  VAL  88          2HG1      VAL  88  17.170   4.193  -1.878
  715   3HG1  VAL  88          3HG1      VAL  88  16.388   3.902  -0.324
  716   1HG2  VAL  88          1HG2      VAL  88  14.463   2.455  -3.828
  717   2HG2  VAL  88          2HG2      VAL  88  15.985   3.320  -4.029
  718   3HG2  VAL  88          3HG2      VAL  88  14.544   4.182  -3.489
  719    H    ASP  89           H        ASP  89  17.509   2.350   0.194
  720    HA   ASP  89           HA       ASP  89  16.890   0.127   1.882
  721   1HB   ASP  89          1HB       ASP  89  18.285   2.750   2.368
  722   2HB   ASP  89          2HB       ASP  89  18.007   1.617   3.678
  723    HA   PRO  90           HA       PRO  90  13.211   1.378   4.051
  724   1HB   PRO  90          1HB       PRO  90  13.925   1.070   6.701
  725   2HB   PRO  90          2HB       PRO  90  13.452  -0.256   5.636
  726   1HG   PRO  90          1HG       PRO  90  16.196   0.697   6.369
  727   2HG   PRO  90          2HG       PRO  90  15.579  -0.964   6.280
  728   1HD   PRO  90          1HD       PRO  90  17.060   0.005   4.317
  729   2HD   PRO  90          2HD       PRO  90  15.640  -0.990   3.955
  730    H    GLU  91           H        GLU  91  15.890   3.238   4.061
  731    HA   GLU  91           HA       GLU  91  15.464   5.205   6.048
  732   1HB   GLU  91          1HB       GLU  91  16.973   6.576   4.669
  733   2HB   GLU  91          2HB       GLU  91  17.616   4.956   4.904
  734   1HG   GLU  91          1HG       GLU  91  16.948   4.315   2.678
  735   2HG   GLU  91          2HG       GLU  91  16.131   5.852   2.440
  736    H    GLU  92           H        GLU  92  14.168   4.550   2.912
  737    HA   GLU  92           HA       GLU  92  13.086   7.058   2.290
  738   1HB   GLU  92          1HB       GLU  92  12.367   4.280   1.441
  739   2HB   GLU  92          2HB       GLU  92  11.479   5.687   0.874
  740   1HG   GLU  92          1HG       GLU  92  14.425   5.249   0.541
  741   2HG   GLU  92          2HG       GLU  92  13.198   4.966  -0.701
  742    H    ILE  93           H        ILE  93  12.062   4.536   4.387
  743    HA   ILE  93           HA       ILE  93   9.302   5.191   4.507
  744    HB   ILE  93           HB       ILE  93  10.949   4.040   6.740
  745   1HG1  ILE  93          1HG1      ILE  93   9.576   2.509   4.529
  746   2HG1  ILE  93          2HG1      ILE  93  11.315   2.760   4.649
  747   1HG2  ILE  93          1HG2      ILE  93   8.636   4.700   7.327
  748   2HG2  ILE  93          2HG2      ILE  93   8.821   2.948   7.405
  749   3HG2  ILE  93          3HG2      ILE  93   8.017   3.689   6.022
  750   1HD1  ILE  93          1HD1      ILE  93  10.724   0.554   5.444
  751   2HD1  ILE  93          2HD1      ILE  93   9.597   1.253   6.606
  752   3HD1  ILE  93          3HD1      ILE  93  11.328   1.536   6.778
  753    H    GLU  94           H        GLU  94  12.179   6.492   5.992
  754    HA   GLU  94           HA       GLU  94  10.895   7.954   8.043
  755   1HB   GLU  94          1HB       GLU  94  13.520   8.455   6.643
  756   2HB   GLU  94          2HB       GLU  94  13.014   9.220   8.144
  757   1HG   GLU  94          1HG       GLU  94  13.589   6.305   7.681
  758   2HG   GLU  94          2HG       GLU  94  14.534   7.441   8.644
  759    H    ARG  95           H        ARG  95  11.999   8.779   4.818
  760    HA   ARG  95           HA       ARG  95  11.013  11.424   4.827
  761   1HB   ARG  95          1HB       ARG  95  12.791  10.603   3.278
  762   2HB   ARG  95          2HB       ARG  95  11.614   9.589   2.480
  763   1HG   ARG  95          1HG       ARG  95  11.147  12.533   2.568
  764   2HG   ARG  95          2HG       ARG  95  12.357  11.896   1.463
  765   1HD   ARG  95          1HD       ARG  95   9.459  11.039   1.569
  766   2HD   ARG  95          2HD       ARG  95  10.129  12.187   0.411
  767    HE   ARG  95           HE       ARG  95  11.507   9.675   0.411
  768   1HH1  ARG  95          1HH1      ARG  95   8.651  11.341  -0.944
  769   2HH1  ARG  95          2HH1      ARG  95   8.593  10.367  -2.319
  770   1HH2  ARG  95          1HH2      ARG  95  11.383   8.339  -1.460
  771   2HH2  ARG  95          2HH2      ARG  95  10.197   8.620  -2.650
  772    H    ILE  96           H        ILE  96   9.605   8.342   4.109
  773    HA   ILE  96           HA       ILE  96   7.201   9.515   3.044
  774    HB   ILE  96           HB       ILE  96   7.960   6.610   3.543
  775   1HG1  ILE  96          1HG1      ILE  96   7.865   8.197   0.964
  776   2HG1  ILE  96          2HG1      ILE  96   9.322   7.738   1.833
  777   1HG2  ILE  96          1HG2      ILE  96   6.066   6.045   2.027
  778   2HG2  ILE  96          2HG2      ILE  96   5.607   7.751   1.998
  779   3HG2  ILE  96          3HG2      ILE  96   5.529   6.836   3.506
  780   1HD1  ILE  96          1HD1      ILE  96   8.944   6.303  -0.094
  781   2HD1  ILE  96          2HD1      ILE  96   7.364   5.844   0.542
  782   3HD1  ILE  96          3HD1      ILE  96   8.830   5.380   1.405
  783    H    LEU  97           H        LEU  97   8.409   8.982   6.088
  784    HA   LEU  97           HA       LEU  97   5.941   8.362   7.474
  785   1HB   LEU  97          1HB       LEU  97   8.122   7.733   8.442
  786   2HB   LEU  97          2HB       LEU  97   8.607   9.412   8.472
  787    HG   LEU  97           HG       LEU  97   6.780   9.843  10.125
  788   1HD1  LEU  97          1HD1      LEU  97   5.807   7.945  11.308
  789   2HD1  LEU  97          2HD1      LEU  97   6.555   6.847  10.148
  790   3HD1  LEU  97          3HD1      LEU  97   5.328   7.995   9.613
  791   1HD2  LEU  97          1HD2      LEU  97   9.086   9.538  10.848
  792   2HD2  LEU  97          2HD2      LEU  97   8.843   7.792  10.933
  793   3HD2  LEU  97          3HD2      LEU  97   7.964   8.859  12.024
  794    H    GLU  98           H        GLU  98   7.867  11.034   6.572
  795    HA   GLU  98           HA       GLU  98   6.560  13.141   7.939
  796   1HB   GLU  98          1HB       GLU  98   8.852  13.177   6.940
  797   2HB   GLU  98          2HB       GLU  98   8.115  13.075   5.357
  798   1HG   GLU  98          1HG       GLU  98   7.033  15.231   5.723
  799   2HG   GLU  98          2HG       GLU  98   7.815  15.347   7.294
  800    H    VAL  99           H        VAL  99   6.198  11.398   5.001
  801    HA   VAL  99           HA       VAL  99   4.004  13.070   4.059
  802    HB   VAL  99           HB       VAL  99   5.653  11.010   2.556
  803   1HG1  VAL  99          1HG1      VAL  99   3.855  13.240   1.545
  804   2HG1  VAL  99          2HG1      VAL  99   3.474  11.521   1.506
  805   3HG1  VAL  99          3HG1      VAL  99   4.800  12.153   0.526
  806   1HG2  VAL  99          1HG2      VAL  99   5.985  14.002   2.594
  807   2HG2  VAL  99          2HG2      VAL  99   6.887  12.881   1.572
  808   3HG2  VAL  99          3HG2      VAL  99   7.074  12.824   3.324
  809    H    ALA 100           H        ALA 100   3.872  10.917   6.194
  810    HA   ALA 100           HA       ALA 100   2.786   8.585   5.309
  811   1HB   ALA 100          1HB       ALA 100   3.601   9.078   7.586
  812   2HB   ALA 100          2HB       ALA 100   2.053   8.265   7.571
  813   3HB   ALA 100          3HB       ALA 100   2.132  10.003   7.879
  814    H    GLU 101           H        GLU 101   1.328  11.687   5.640
  815    HA   GLU 101           HA       GLU 101  -1.041  10.883   4.292
  816   1HB   GLU 101          1HB       GLU 101  -1.704  10.109   6.499
  817   2HB   GLU 101          2HB       GLU 101  -1.302  11.659   7.209
  818   1HG   GLU 101          1HG       GLU 101  -3.065  12.678   5.746
  819   2HG   GLU 101          2HG       GLU 101  -3.513  11.036   5.283
  820    HA   PRO 102           HA       PRO 102  -1.394  15.481   4.729
  821   1HB   PRO 102          1HB       PRO 102   0.239  16.987   6.189
  822   2HB   PRO 102          2HB       PRO 102  -1.153  16.111   6.883
  823   1HG   PRO 102          1HG       PRO 102   1.746  15.404   6.938
  824   2HG   PRO 102          2HG       PRO 102   0.552  15.304   8.249
  825   1HD   PRO 102          1HD       PRO 102   1.327  13.185   6.685
  826   2HD   PRO 102          2HD       PRO 102  -0.229  13.295   7.528
  Start of MODEL    9
    1    H    HIS   1           H        HIS   1   5.101   5.067 -10.902
    2    HA   HIS   1           HA       HIS   1   3.383   7.340 -11.545
    3   1HB   HIS   1          1HB       HIS   1   2.840   4.698 -10.173
    4   2HB   HIS   1          2HB       HIS   1   1.818   6.102  -9.940
    5    HD1  HIS   1           HD1      HIS   1   0.056   6.570 -11.746
    6    HD2  HIS   1           HD2      HIS   1   2.722   3.536 -12.754
    7    HE1  HIS   1           HE1      HIS   1  -0.911   5.430 -13.763
    8    H    MET   2           H        MET   2   2.442   8.110  -9.401
    9    HA   MET   2           HA       MET   2   3.694   7.706  -6.959
   10   1HB   MET   2          1HB       MET   2   4.687   9.960  -6.664
   11   2HB   MET   2          2HB       MET   2   5.628   8.916  -7.733
   12   1HG   MET   2          1HG       MET   2   4.714  10.129  -9.659
   13   2HG   MET   2          2HG       MET   2   3.753  11.130  -8.570
   14   1HE   MET   2          1HE       MET   2   5.713  12.275 -10.832
   15   2HE   MET   2          2HE       MET   2   6.475  13.607  -9.959
   16   3HE   MET   2          3HE       MET   2   4.749  13.302  -9.769
   17    H    THR   3           H        THR   3   2.226   8.239  -5.536
   18    HA   THR   3           HA       THR   3   0.438  10.406  -6.292
   19    HB   THR   3           HB       THR   3  -0.734   8.281  -6.507
   20    HG1  THR   3           HG1      THR   3  -2.531   8.970  -5.370
   21   1HG2  THR   3          1HG2      THR   3   0.455   6.976  -4.811
   22   2HG2  THR   3          2HG2      THR   3  -1.279   6.949  -4.494
   23   3HG2  THR   3          3HG2      THR   3  -0.224   7.990  -3.538
   24    H    PHE   4           H        PHE   4   0.089  11.875  -4.935
   25    HA   PHE   4           HA       PHE   4   0.896  11.560  -2.131
   26   1HB   PHE   4          1HB       PHE   4   1.369  14.010  -3.874
   27   2HB   PHE   4          2HB       PHE   4   1.827  13.825  -2.178
   28    HD1  PHE   4           HD1      PHE   4   2.836  13.357  -5.562
   29    HD2  PHE   4           HD2      PHE   4   3.430  11.951  -1.601
   30    HE1  PHE   4           HE1      PHE   4   4.931  12.283  -6.255
   31    HE2  PHE   4           HE2      PHE   4   5.529  10.888  -2.288
   32    HZ   PHE   4           HZ       PHE   4   6.269  11.030  -4.597
   33    H    CYS   5           H        CYS   5  -1.652  11.395  -3.653
   34    HA   CYS   5           HA       CYS   5  -3.139  13.493  -2.247
   35   1HB   CYS   5          1HB       CYS   5  -3.755  12.269  -4.948
   36   2HB   CYS   5          2HB       CYS   5  -4.737  13.469  -4.118
   37    HG   CYS   5           HG       CYS   5  -3.648  15.439  -5.227
   38    H    LEU   6           H        LEU   6  -3.902  12.284  -0.491
   39    HA   LEU   6           HA       LEU   6  -4.590   9.552  -0.982
   40   1HB   LEU   6          1HB       LEU   6  -4.872   9.228   1.368
   41   2HB   LEU   6          2HB       LEU   6  -3.366  10.045   1.073
   42    HG   LEU   6           HG       LEU   6  -4.123  10.870   3.032
   43   1HD1  LEU   6          1HD1      LEU   6  -4.820  13.209   2.795
   44   2HD1  LEU   6          2HD1      LEU   6  -5.044  12.930   1.069
   45   3HD1  LEU   6          3HD1      LEU   6  -3.450  12.745   1.793
   46   1HD2  LEU   6          1HD2      LEU   6  -6.911  11.003   1.930
   47   2HD2  LEU   6          2HD2      LEU   6  -6.461  11.687   3.479
   48   3HD2  LEU   6          3HD2      LEU   6  -6.301   9.945   3.204
   49    H    GLU   7           H        GLU   7  -6.281  12.468  -0.046
   50    HA   GLU   7           HA       GLU   7  -8.742  11.157   0.404
   51   1HB   GLU   7          1HB       GLU   7  -8.226  13.011   1.714
   52   2HB   GLU   7          2HB       GLU   7  -7.862  14.040   0.365
   53   1HG   GLU   7          1HG       GLU   7 -10.285  14.027  -0.195
   54   2HG   GLU   7          2HG       GLU   7 -10.568  13.023   1.231
   55    H    THR   8           H        THR   8  -7.106  12.122  -2.261
   56    HA   THR   8           HA       THR   8  -9.274  12.774  -3.958
   57    HB   THR   8           HB       THR   8  -6.492  11.825  -4.665
   58    HG1  THR   8           HG1      THR   8  -7.595  14.326  -3.892
   59   1HG2  THR   8          1HG2      THR   8  -6.856  13.150  -6.708
   60   2HG2  THR   8          2HG2      THR   8  -8.467  13.590  -6.143
   61   3HG2  THR   8          3HG2      THR   8  -8.105  11.914  -6.554
   62    H    TYR   9           H        TYR   9  -7.751   9.821  -2.804
   63    HA   TYR   9           HA       TYR   9  -8.859   8.175  -4.827
   64   1HB   TYR   9          1HB       TYR   9  -7.601   7.578  -2.167
   65   2HB   TYR   9          2HB       TYR   9  -8.375   6.310  -3.113
   66    HD1  TYR   9           HD1      TYR   9  -5.391   8.161  -2.600
   67    HD2  TYR   9           HD2      TYR   9  -7.612   6.031  -5.520
   68    HE1  TYR   9           HE1      TYR   9  -3.367   7.923  -3.964
   69    HE2  TYR   9           HE2      TYR   9  -5.604   5.777  -6.885
   70    HH   TYR   9           HH       TYR   9  -2.606   6.253  -5.704
   71    H    LEU  10           H        LEU  10  -9.813   9.332  -1.743
   72    HA   LEU  10           HA       LEU  10 -12.069   7.734  -1.336
   73   1HB   LEU  10          1HB       LEU  10 -11.128   9.163   0.412
   74   2HB   LEU  10          2HB       LEU  10 -11.523  10.593  -0.513
   75    HG   LEU  10           HG       LEU  10 -13.927  10.109  -0.204
   76   1HD1  LEU  10          1HD1      LEU  10 -14.624   8.441   1.417
   77   2HD1  LEU  10          2HD1      LEU  10 -12.959   7.889   1.585
   78   3HD1  LEU  10          3HD1      LEU  10 -13.804   7.697   0.048
   79   1HD2  LEU  10          1HD2      LEU  10 -12.773  11.615   1.324
   80   2HD2  LEU  10          2HD2      LEU  10 -12.324  10.249   2.345
   81   3HD2  LEU  10          3HD2      LEU  10 -14.020  10.697   2.170
   82    H    GLN  11           H        GLN  11 -11.539  10.749  -3.068
   83    HA   GLN  11           HA       GLN  11 -14.223  11.224  -3.819
   84   1HB   GLN  11          1HB       GLN  11 -11.641  12.178  -5.064
   85   2HB   GLN  11          2HB       GLN  11 -13.230  12.775  -5.500
   86   1HG   GLN  11          1HG       GLN  11 -11.924  13.043  -2.792
   87   2HG   GLN  11          2HG       GLN  11 -12.031  14.303  -4.014
   88   1HE2  GLN  11          1HE2      GLN  11 -13.172  15.689  -2.725
   89   2HE2  GLN  11          2HE2      GLN  11 -14.815  15.430  -2.271
   90    H    GLN  12           H        GLN  12 -11.665   9.306  -5.068
   91    HA   GLN  12           HA       GLN  12 -12.921   8.871  -7.569
   92   1HB   GLN  12          1HB       GLN  12 -10.614   7.424  -6.266
   93   2HB   GLN  12          2HB       GLN  12 -11.192   7.073  -7.888
   94   1HG   GLN  12          1HG       GLN  12 -10.630   9.307  -8.612
   95   2HG   GLN  12          2HG       GLN  12 -10.157   9.748  -6.975
   96   1HE2  GLN  12          1HE2      GLN  12  -9.393   6.655  -8.450
   97   2HE2  GLN  12          2HE2      GLN  12  -7.691   6.942  -8.556
   98    H    SER  13           H        SER  13 -12.603   7.026  -4.538
   99    HA   SER  13           HA       SER  13 -15.010   5.586  -5.077
  100   1HB   SER  13          1HB       SER  13 -12.419   4.015  -4.984
  101   2HB   SER  13          2HB       SER  13 -14.039   3.326  -5.012
  102    HG   SER  13           HG       SER  13 -13.829   5.015  -7.037
  103    H    GLY  14           H        GLY  14 -12.065   5.042  -3.151
  104   1HA   GLY  14          1HA       GLY  14 -13.571   5.548  -0.755
  105   2HA   GLY  14          2HA       GLY  14 -13.044   3.884  -0.987
  106    H    GLU  15           H        GLU  15 -12.122   4.950   1.139
  107    HA   GLU  15           HA       GLU  15  -9.625   6.321   0.647
  108   1HB   GLU  15          1HB       GLU  15 -11.161   7.125   2.394
  109   2HB   GLU  15          2HB       GLU  15 -11.090   5.571   3.193
  110   1HG   GLU  15          1HG       GLU  15  -8.824   5.953   3.846
  111   2HG   GLU  15          2HG       GLU  15  -8.738   7.414   2.860
  112    H    TYR  16           H        TYR  16  -7.602   5.454   1.218
  113    HA   TYR  16           HA       TYR  16  -7.410   2.635   2.015
  114   1HB   TYR  16          1HB       TYR  16  -7.349   2.659  -0.428
  115   2HB   TYR  16          2HB       TYR  16  -6.242   4.010  -0.430
  116    HD1  TYR  16           HD1      TYR  16  -4.144   3.509  -1.142
  117    HD2  TYR  16           HD2      TYR  16  -6.282   0.501   0.974
  118    HE1  TYR  16           HE1      TYR  16  -2.259   1.973  -1.440
  119    HE2  TYR  16           HE2      TYR  16  -4.387  -1.050   0.674
  120    HH   TYR  16           HH       TYR  16  -1.359   0.120  -0.725
  121    H    GLU  17           H        GLU  17  -7.105   5.300   3.171
  122    HA   GLU  17           HA       GLU  17  -4.357   5.209   4.047
  123   1HB   GLU  17          1HB       GLU  17  -5.689   7.734   3.041
  124   2HB   GLU  17          2HB       GLU  17  -4.074   7.654   3.678
  125   1HG   GLU  17          1HG       GLU  17  -3.629   7.718   1.423
  126   2HG   GLU  17          2HG       GLU  17  -3.689   5.993   1.701
  127    H    ILE  18           H        ILE  18  -4.167   7.022   6.001
  128    HA   ILE  18           HA       ILE  18  -6.636   6.794   7.380
  129    HB   ILE  18           HB       ILE  18  -4.509   5.724   8.415
  130   1HG1  ILE  18          1HG1      ILE  18  -6.165   7.565  10.165
  131   2HG1  ILE  18          2HG1      ILE  18  -6.645   5.958   9.640
  132   1HG2  ILE  18          1HG2      ILE  18  -3.252   7.227   9.985
  133   2HG2  ILE  18          2HG2      ILE  18  -3.917   8.605   9.097
  134   3HG2  ILE  18          3HG2      ILE  18  -2.883   7.425   8.285
  135   1HD1  ILE  18          1HD1      ILE  18  -5.867   5.944  11.942
  136   2HD1  ILE  18          2HD1      ILE  18  -4.315   6.610  11.434
  137   3HD1  ILE  18          3HD1      ILE  18  -4.790   4.994  10.915
  138    H    HIS  19           H        HIS  19  -5.229   8.755   5.578
  139    HA   HIS  19           HA       HIS  19  -5.385  10.894   4.941
  140   1HB   HIS  19          1HB       HIS  19  -7.675  10.967   6.025
  141   2HB   HIS  19          2HB       HIS  19  -6.910  11.493   7.518
  142    HD1  HIS  19           HD1      HIS  19  -5.787  13.964   7.419
  143    HD2  HIS  19           HD2      HIS  19  -8.196  12.916   4.196
  144    HE1  HIS  19           HE1      HIS  19  -6.310  16.094   6.219
  145    H    MET  20           H        MET  20  -3.218  10.663   5.163
  146    HA   MET  20           HA       MET  20  -1.999  12.551   6.914
  147   1HB   MET  20          1HB       MET  20  -2.312  10.128   8.000
  148   2HB   MET  20          2HB       MET  20  -0.961   9.748   6.965
  149   1HG   MET  20          1HG       MET  20  -0.991  11.835   9.040
  150   2HG   MET  20          2HG       MET  20  -0.528  10.139   9.273
  151   1HE   MET  20          1HE       MET  20   3.014  11.988   9.396
  152   2HE   MET  20          2HE       MET  20   1.912  10.916  10.262
  153   3HE   MET  20          3HE       MET  20   1.488  12.611  10.022
  154    H    LYS  21           H        LYS  21   0.521  12.173   6.272
  155    HA   LYS  21           HA       LYS  21   0.688  12.825   3.529
  156   1HB   LYS  21          1HB       LYS  21   2.893  11.844   5.335
  157   2HB   LYS  21          2HB       LYS  21   3.075  12.785   3.866
  158   1HG   LYS  21          1HG       LYS  21   2.155  14.718   4.904
  159   2HG   LYS  21          2HG       LYS  21   1.679  13.788   6.332
  160   1HD   LYS  21          1HD       LYS  21   4.056  13.241   6.699
  161   2HD   LYS  21          2HD       LYS  21   4.469  14.310   5.359
  162   1HE   LYS  21          1HE       LYS  21   3.574  16.208   6.532
  163   2HE   LYS  21          2HE       LYS  21   2.968  15.172   7.825
  164   1HZ   LYS  21          1HZ       LYS  21   5.234  14.569   8.360
  165   2HZ   LYS  21          2HZ       LYS  21   5.030  16.248   8.467
  166   3HZ   LYS  21          3HZ       LYS  21   5.829  15.580   7.142
  167    H    ARG  22           H        ARG  22   0.318  11.500   2.055
  168    HA   ARG  22           HA       ARG  22   1.153   8.766   2.283
  169   1HB   ARG  22          1HB       ARG  22  -0.542   8.218   0.640
  170   2HB   ARG  22          2HB       ARG  22  -1.240   9.204   1.881
  171   1HG   ARG  22          1HG       ARG  22  -0.429  10.212  -0.847
  172   2HG   ARG  22          2HG       ARG  22  -2.065   9.781  -0.397
  173   1HD   ARG  22          1HD       ARG  22  -2.023  12.127  -0.218
  174   2HD   ARG  22          2HD       ARG  22  -1.765  11.589   1.453
  175    HE   ARG  22           HE       ARG  22   0.650  12.028   0.008
  176   1HH1  ARG  22          1HH1      ARG  22  -1.789  13.725   2.031
  177   2HH1  ARG  22          2HH1      ARG  22  -0.744  14.999   2.382
  178   1HH2  ARG  22          1HH2      ARG  22   2.019  13.832   0.551
  179   2HH2  ARG  22          2HH2      ARG  22   1.404  15.085   1.521
  180    H    ALA  23           H        ALA  23   2.955   8.287   1.213
  181    HA   ALA  23           HA       ALA  23   3.545   9.822  -1.165
  182   1HB   ALA  23          1HB       ALA  23   5.497   8.592   0.798
  183   2HB   ALA  23          2HB       ALA  23   5.164  10.311   0.607
  184   3HB   ALA  23          3HB       ALA  23   5.956   9.414  -0.693
  185    H    GLY  24           H        GLY  24   2.519   8.358  -2.469
  186   1HA   GLY  24          1HA       GLY  24   3.367   5.561  -2.195
  187   2HA   GLY  24          2HA       GLY  24   1.897   6.090  -3.016
  188    H    PHE  25           H        PHE  25   5.408   5.951  -3.203
  189    HA   PHE  25           HA       PHE  25   5.463   7.072  -5.803
  190   1HB   PHE  25          1HB       PHE  25   7.569   5.362  -4.448
  191   2HB   PHE  25          2HB       PHE  25   7.809   6.334  -5.888
  192    HD1  PHE  25           HD1      PHE  25   7.717   6.284  -2.289
  193    HD2  PHE  25           HD2      PHE  25   7.735   8.821  -5.696
  194    HE1  PHE  25           HE1      PHE  25   8.413   8.169  -0.872
  195    HE2  PHE  25           HE2      PHE  25   8.433  10.712  -4.287
  196    HZ   PHE  25           HZ       PHE  25   8.773  10.391  -1.878
  197    H    ARG  26           H        ARG  26   6.580   3.796  -5.016
  198    HA   ARG  26           HA       ARG  26   5.702   3.089  -7.669
  199   1HB   ARG  26          1HB       ARG  26   7.021   1.294  -5.665
  200   2HB   ARG  26          2HB       ARG  26   6.722   0.909  -7.345
  201   1HG   ARG  26          1HG       ARG  26   8.147   3.167  -7.650
  202   2HG   ARG  26          2HG       ARG  26   8.821   2.587  -6.124
  203   1HD   ARG  26          1HD       ARG  26  10.187   1.569  -7.711
  204   2HD   ARG  26          2HD       ARG  26   9.005   0.309  -7.352
  205    HE   ARG  26           HE       ARG  26   9.071   2.014  -9.732
  206   1HH1  ARG  26          1HH1      ARG  26   7.713  -0.891  -8.196
  207   2HH1  ARG  26          2HH1      ARG  26   7.144  -1.555  -9.654
  208   1HH2  ARG  26          1HH2      ARG  26   8.262   1.091 -11.715
  209   2HH2  ARG  26          2HH2      ARG  26   7.430  -0.389 -11.684
  210    H    GLU  27           H        GLU  27   4.302   2.749  -4.479
  211    HA   GLU  27           HA       GLU  27   2.790   0.464  -5.326
  212   1HB   GLU  27          1HB       GLU  27   3.680   1.086  -3.005
  213   2HB   GLU  27          2HB       GLU  27   2.305   2.196  -2.927
  214   1HG   GLU  27          1HG       GLU  27   1.928  -0.721  -3.440
  215   2HG   GLU  27          2HG       GLU  27   2.236  -0.141  -1.815
  216    H    CYS  28           H        CYS  28   2.706   3.789  -5.783
  217    HA   CYS  28           HA       CYS  28   0.028   4.470  -5.880
  218   1HB   CYS  28          1HB       CYS  28   1.784   6.060  -6.459
  219   2HB   CYS  28          2HB       CYS  28   2.084   5.194  -7.960
  220    HG   CYS  28           HG       CYS  28  -1.049   5.835  -8.072
  221    H    ALA  29           H        ALA  29   1.821   2.547  -8.247
  222    HA   ALA  29           HA       ALA  29  -0.278   2.432 -10.164
  223   1HB   ALA  29          1HB       ALA  29   2.075   0.589  -9.769
  224   2HB   ALA  29          2HB       ALA  29   2.061   2.043 -10.766
  225   3HB   ALA  29          3HB       ALA  29   1.049   0.663 -11.200
  226    H    ALA  30           H        ALA  30   0.847   0.309  -7.605
  227    HA   ALA  30           HA       ALA  30  -0.770  -1.864  -7.995
  228   1HB   ALA  30          1HB       ALA  30   0.173  -0.827  -5.355
  229   2HB   ALA  30          2HB       ALA  30   1.213  -1.594  -6.531
  230   3HB   ALA  30          3HB       ALA  30  -0.122  -2.509  -5.828
  231    H    MET  31           H        MET  31  -1.221   0.841  -5.819
  232    HA   MET  31           HA       MET  31  -3.626   0.048  -4.632
  233   1HB   MET  31          1HB       MET  31  -3.975   2.369  -3.963
  234   2HB   MET  31          2HB       MET  31  -2.311   1.858  -3.723
  235   1HG   MET  31          1HG       MET  31  -1.723   2.980  -5.841
  236   2HG   MET  31          2HG       MET  31  -3.374   3.576  -5.938
  237   1HE   MET  31          1HE       MET  31  -0.047   3.587  -3.905
  238   2HE   MET  31          2HE       MET  31  -1.204   3.217  -2.621
  239   3HE   MET  31          3HE       MET  31  -0.390   4.779  -2.659
  240    H    ILE  32           H        ILE  32  -3.210   1.757  -7.650
  241    HA   ILE  32           HA       ILE  32  -5.877   2.477  -8.103
  242    HB   ILE  32           HB       ILE  32  -3.713   1.683 -10.065
  243   1HG1  ILE  32          1HG1      ILE  32  -4.613   4.425  -9.139
  244   2HG1  ILE  32          2HG1      ILE  32  -3.143   3.608  -8.633
  245   1HG2  ILE  32          1HG2      ILE  32  -5.923   1.546 -11.117
  246   2HG2  ILE  32          2HG2      ILE  32  -5.028   2.923 -11.763
  247   3HG2  ILE  32          3HG2      ILE  32  -6.305   3.180 -10.572
  248   1HD1  ILE  32          1HD1      ILE  32  -3.787   4.522 -11.430
  249   2HD1  ILE  32          2HD1      ILE  32  -2.309   3.698 -10.932
  250   3HD1  ILE  32          3HD1      ILE  32  -2.677   5.305 -10.305
  251    H    GLU  33           H        GLU  33  -4.086  -0.451  -8.818
  252    HA   GLU  33           HA       GLU  33  -6.324  -1.698 -10.081
  253   1HB   GLU  33          1HB       GLU  33  -3.579  -2.683  -9.370
  254   2HB   GLU  33          2HB       GLU  33  -4.776  -3.634 -10.248
  255   1HG   GLU  33          1HG       GLU  33  -3.623  -1.016 -11.140
  256   2HG   GLU  33          2HG       GLU  33  -3.171  -2.608 -11.756
  257    H    LYS  34           H        LYS  34  -4.784  -1.757  -6.941
  258    HA   LYS  34           HA       LYS  34  -5.942  -4.047  -5.844
  259   1HB   LYS  34          1HB       LYS  34  -5.040  -1.468  -4.624
  260   2HB   LYS  34          2HB       LYS  34  -5.774  -2.714  -3.637
  261   1HG   LYS  34          1HG       LYS  34  -4.028  -4.180  -3.944
  262   2HG   LYS  34          2HG       LYS  34  -3.361  -3.338  -5.352
  263   1HD   LYS  34          1HD       LYS  34  -2.828  -1.460  -3.849
  264   2HD   LYS  34          2HD       LYS  34  -3.444  -2.426  -2.494
  265   1HE   LYS  34          1HE       LYS  34  -1.695  -4.068  -2.957
  266   2HE   LYS  34          2HE       LYS  34  -1.138  -3.066  -4.293
  267   1HZ   LYS  34          1HZ       LYS  34   0.111  -2.645  -2.189
  268   2HZ   LYS  34          2HZ       LYS  34  -1.348  -1.962  -1.554
  269   3HZ   LYS  34          3HZ       LYS  34  -0.664  -1.337  -2.890
  270    H    LYS  35           H        LYS  35  -7.244  -0.924  -6.460
  271    HA   LYS  35           HA       LYS  35  -9.509  -0.967  -4.792
  272   1HB   LYS  35          1HB       LYS  35  -8.558   0.994  -6.023
  273   2HB   LYS  35          2HB       LYS  35  -9.254   0.338  -7.495
  274   1HG   LYS  35          1HG       LYS  35 -11.448   0.356  -5.985
  275   2HG   LYS  35          2HG       LYS  35 -10.564   1.654  -5.187
  276   1HD   LYS  35          1HD       LYS  35 -11.924   2.638  -6.880
  277   2HD   LYS  35          2HD       LYS  35 -10.248   2.695  -7.443
  278   1HE   LYS  35          1HE       LYS  35 -11.804   2.011  -9.220
  279   2HE   LYS  35          2HE       LYS  35 -10.641   0.744  -8.865
  280   1HZ   LYS  35          1HZ       LYS  35 -12.891  -0.140  -9.110
  281   2HZ   LYS  35          2HZ       LYS  35 -13.449   0.861  -7.897
  282   3HZ   LYS  35          3HZ       LYS  35 -12.382  -0.377  -7.519
  283    H    ALA  36           H        ALA  36  -8.777  -2.845  -7.575
  284    HA   ALA  36           HA       ALA  36 -11.472  -3.203  -8.444
  285   1HB   ALA  36          1HB       ALA  36  -9.615  -3.514 -10.019
  286   2HB   ALA  36          2HB       ALA  36 -10.556  -4.997  -9.858
  287   3HB   ALA  36          3HB       ALA  36  -9.003  -4.845  -9.037
  288    H    ARG  37           H        ARG  37  -9.120  -5.428  -7.020
  289    HA   ARG  37           HA       ARG  37 -11.198  -6.511  -5.278
  290   1HB   ARG  37          1HB       ARG  37  -9.572  -8.197  -7.194
  291   2HB   ARG  37          2HB       ARG  37 -10.460  -8.849  -5.830
  292   1HG   ARG  37          1HG       ARG  37 -11.669  -7.385  -8.166
  293   2HG   ARG  37          2HG       ARG  37 -11.625  -9.139  -7.968
  294   1HD   ARG  37          1HD       ARG  37 -12.905  -8.881  -5.863
  295   2HD   ARG  37          2HD       ARG  37 -13.006  -7.149  -6.174
  296    HE   ARG  37           HE       ARG  37 -13.981  -8.880  -8.262
  297   1HH1  ARG  37          1HH1      ARG  37 -14.787  -6.821  -5.483
  298   2HH1  ARG  37          2HH1      ARG  37 -16.443  -6.754  -5.835
  299   1HH2  ARG  37          1HH2      ARG  37 -16.279  -8.801  -8.723
  300   2HH2  ARG  37          2HH2      ARG  37 -17.315  -7.917  -7.709
  301    H    ARG  38           H        ARG  38  -8.036  -7.634  -6.267
  302    HA   ARG  38           HA       ARG  38  -6.700  -6.692  -3.935
  303   1HB   ARG  38          1HB       ARG  38  -6.019  -8.915  -3.137
  304   2HB   ARG  38          2HB       ARG  38  -7.776  -8.842  -3.140
  305   1HG   ARG  38          1HG       ARG  38  -7.833 -10.124  -5.203
  306   2HG   ARG  38          2HG       ARG  38  -6.072 -10.163  -5.235
  307   1HD   ARG  38          1HD       ARG  38  -6.207 -11.275  -2.964
  308   2HD   ARG  38          2HD       ARG  38  -7.935 -11.464  -3.278
  309    HE   ARG  38           HE       ARG  38  -6.373 -12.380  -5.440
  310   1HH1  ARG  38          1HH1      ARG  38  -7.812 -13.393  -2.385
  311   2HH1  ARG  38          2HH1      ARG  38  -7.347 -15.029  -2.549
  312   1HH2  ARG  38          1HH2      ARG  38  -5.813 -14.622  -5.703
  313   2HH2  ARG  38          2HH2      ARG  38  -6.226 -15.759  -4.508
  314    H    VAL  39           H        VAL  39  -4.656  -6.230  -4.672
  315    HA   VAL  39           HA       VAL  39  -3.736  -7.697  -7.013
  316    HB   VAL  39           HB       VAL  39  -4.053  -4.680  -6.936
  317   1HG1  VAL  39          1HG1      VAL  39  -1.823  -5.170  -7.845
  318   2HG1  VAL  39          2HG1      VAL  39  -2.900  -4.618  -9.133
  319   3HG1  VAL  39          3HG1      VAL  39  -2.531  -6.331  -8.964
  320   1HG2  VAL  39          1HG2      VAL  39  -5.295  -5.029  -9.017
  321   2HG2  VAL  39          2HG2      VAL  39  -5.987  -5.957  -7.687
  322   3HG2  VAL  39          3HG2      VAL  39  -4.984  -6.759  -8.894
  323    H    VAL  40           H        VAL  40  -1.619  -7.918  -7.201
  324    HA   VAL  40           HA       VAL  40  -0.030  -6.833  -5.039
  325    HB   VAL  40           HB       VAL  40  -0.015  -9.314  -5.076
  326   1HG1  VAL  40          1HG1      VAL  40   1.005  -9.094  -7.892
  327   2HG1  VAL  40          2HG1      VAL  40  -0.569  -9.709  -7.383
  328   3HG1  VAL  40          3HG1      VAL  40   0.899 -10.582  -6.952
  329   1HG2  VAL  40          1HG2      VAL  40   2.396  -9.763  -5.238
  330   2HG2  VAL  40          2HG2      VAL  40   2.084  -8.239  -4.398
  331   3HG2  VAL  40          3HG2      VAL  40   2.623  -8.227  -6.074
  332    H    HIS  41           H        HIS  41   1.985  -5.866  -5.595
  333    HA   HIS  41           HA       HIS  41   2.503  -5.458  -8.433
  334   1HB   HIS  41          1HB       HIS  41   1.253  -3.517  -7.377
  335   2HB   HIS  41          2HB       HIS  41   2.637  -3.299  -6.320
  336    HD1  HIS  41           HD1      HIS  41   4.112  -1.392  -7.153
  337    HD2  HIS  41           HD2      HIS  41   2.070  -3.292 -10.236
  338    HE1  HIS  41           HE1      HIS  41   4.828  -0.266  -9.263
  339    H    ILE  42           H        ILE  42   4.638  -5.652  -8.814
  340    HA   ILE  42           HA       ILE  42   6.223  -6.377  -6.525
  341    HB   ILE  42           HB       ILE  42   6.130  -7.918  -8.501
  342   1HG1  ILE  42          1HG1      ILE  42   8.921  -6.834  -8.100
  343   2HG1  ILE  42          2HG1      ILE  42   8.088  -7.827  -6.909
  344   1HG2  ILE  42          1HG2      ILE  42   7.355  -7.362 -10.545
  345   2HG2  ILE  42          2HG2      ILE  42   7.611  -5.726  -9.938
  346   3HG2  ILE  42          3HG2      ILE  42   5.977  -6.293 -10.284
  347   1HD1  ILE  42          1HD1      ILE  42   7.971  -9.653  -8.512
  348   2HD1  ILE  42          2HD1      ILE  42   9.639  -9.134  -8.264
  349   3HD1  ILE  42          3HD1      ILE  42   8.768  -8.653  -9.721
  350    H    LYS  43           H        LYS  43   8.111  -5.385  -6.006
  351    HA   LYS  43           HA       LYS  43   9.496  -3.695  -5.611
  352   1HB   LYS  43          1HB       LYS  43   8.907  -2.787  -8.448
  353   2HB   LYS  43          2HB       LYS  43  10.023  -1.962  -7.389
  354   1HG   LYS  43          1HG       LYS  43  11.356  -4.102  -7.326
  355   2HG   LYS  43          2HG       LYS  43  10.295  -4.695  -8.609
  356   1HD   LYS  43          1HD       LYS  43  10.923  -2.847 -10.044
  357   2HD   LYS  43          2HD       LYS  43  11.888  -2.133  -8.760
  358   1HE   LYS  43          1HE       LYS  43  13.393  -3.205 -10.263
  359   2HE   LYS  43          2HE       LYS  43  13.319  -4.188  -8.808
  360   1HZ   LYS  43          1HZ       LYS  43  13.259  -5.594 -10.717
  361   2HZ   LYS  43          2HZ       LYS  43  12.028  -4.745 -11.423
  362   3HZ   LYS  43          3HZ       LYS  43  11.721  -5.669 -10.050
  363    HA   PRO  44           HA       PRO  44   5.899  -0.893  -4.777
  364   1HB   PRO  44          1HB       PRO  44   5.707  -1.234  -2.121
  365   2HB   PRO  44          2HB       PRO  44   4.908  -2.336  -3.256
  366   1HG   PRO  44          1HG       PRO  44   7.545  -2.668  -1.861
  367   2HG   PRO  44          2HG       PRO  44   6.223  -3.842  -1.977
  368   1HD   PRO  44          1HD       PRO  44   8.336  -3.968  -3.608
  369   2HD   PRO  44          2HD       PRO  44   6.701  -4.348  -4.181
  370    H    GLY  45           H        GLY  45   6.015   0.980  -3.144
  371   1HA   GLY  45          1HA       GLY  45   8.442   1.613  -1.898
  372   2HA   GLY  45          2HA       GLY  45   8.404   2.339  -3.510
  373    H    GLU  46           H        GLU  46   5.958   1.737  -1.059
  374    HA   GLU  46           HA       GLU  46   5.279   4.570  -1.286
  375   1HB   GLU  46          1HB       GLU  46   3.070   3.882  -1.207
  376   2HB   GLU  46          2HB       GLU  46   3.900   2.575  -1.875
  377   1HG   GLU  46          1HG       GLU  46   3.199   2.565   1.042
  378   2HG   GLU  46          2HG       GLU  46   2.291   1.752  -0.226
  379    H    LYS  47           H        LYS  47   4.639   5.627   0.463
  380    HA   LYS  47           HA       LYS  47   5.059   4.615   3.083
  381   1HB   LYS  47          1HB       LYS  47   6.638   6.850   1.869
  382   2HB   LYS  47          2HB       LYS  47   6.183   6.965   3.572
  383   1HG   LYS  47          1HG       LYS  47   7.505   4.545   2.426
  384   2HG   LYS  47          2HG       LYS  47   8.437   5.894   3.085
  385   1HD   LYS  47          1HD       LYS  47   7.766   5.505   5.203
  386   2HD   LYS  47          2HD       LYS  47   6.208   4.866   4.746
  387   1HE   LYS  47          1HE       LYS  47   8.829   3.386   4.339
  388   2HE   LYS  47          2HE       LYS  47   7.801   3.166   5.751
  389   1HZ   LYS  47          1HZ       LYS  47   6.956   2.570   2.927
  390   2HZ   LYS  47          2HZ       LYS  47   6.044   2.356   4.319
  391   3HZ   LYS  47          3HZ       LYS  47   7.406   1.443   4.110
  392    H    ILE  48           H        ILE  48   2.917   4.526   2.798
  393    HA   ILE  48           HA       ILE  48   1.466   6.996   2.578
  394    HB   ILE  48           HB       ILE  48   0.548   4.140   2.806
  395   1HG1  ILE  48          1HG1      ILE  48   0.647   5.908   0.365
  396   2HG1  ILE  48          2HG1      ILE  48   1.788   4.619   0.733
  397   1HG2  ILE  48          1HG2      ILE  48  -1.625   5.044   1.916
  398   2HG2  ILE  48          2HG2      ILE  48  -1.034   6.664   2.319
  399   3HG2  ILE  48          3HG2      ILE  48  -1.244   5.437   3.576
  400   1HD1  ILE  48          1HD1      ILE  48  -0.048   2.998   0.638
  401   2HD1  ILE  48          2HD1      ILE  48   0.177   3.866  -0.875
  402   3HD1  ILE  48          3HD1      ILE  48  -1.155   4.302   0.202
  403    H    LEU  49           H        LEU  49   1.461   8.119   4.450
  404    HA   LEU  49           HA       LEU  49   0.873   8.735   6.578
  405   1HB   LEU  49          1HB       LEU  49  -0.093   5.985   7.217
  406   2HB   LEU  49          2HB       LEU  49  -0.720   7.522   7.761
  407    HG   LEU  49           HG       LEU  49  -1.004   6.735   4.928
  408   1HD1  LEU  49          1HD1      LEU  49  -3.106   5.636   5.468
  409   2HD1  LEU  49          2HD1      LEU  49  -2.694   5.752   7.182
  410   3HD1  LEU  49          3HD1      LEU  49  -1.687   4.807   6.088
  411   1HD2  LEU  49          1HD2      LEU  49  -3.105   7.938   5.138
  412   2HD2  LEU  49          2HD2      LEU  49  -1.660   8.876   5.339
  413   3HD2  LEU  49          3HD2      LEU  49  -2.618   8.440   6.750
  414    H    GLY  50           H        GLY  50   3.248   6.980   5.757
  415   1HA   GLY  50          1HA       GLY  50   5.209   6.406   6.910
  416   2HA   GLY  50          2HA       GLY  50   4.315   6.499   8.432
  417    H    ALA  51           H        ALA  51   2.255   4.900   8.166
  418    HA   ALA  51           HA       ALA  51   3.221   2.258   7.401
  419   1HB   ALA  51          1HB       ALA  51   1.642   3.044   9.875
  420   2HB   ALA  51          2HB       ALA  51   3.299   2.443   9.857
  421   3HB   ALA  51          3HB       ALA  51   1.971   1.387   9.374
  422    H    ARG  52           H        ARG  52   1.932   1.548   5.896
  423    HA   ARG  52           HA       ARG  52  -0.306   2.981   5.004
  424   1HB   ARG  52          1HB       ARG  52   1.231   1.758   3.520
  425   2HB   ARG  52          2HB       ARG  52   0.688   0.243   4.194
  426   1HG   ARG  52          1HG       ARG  52  -1.185   2.090   2.714
  427   2HG   ARG  52          2HG       ARG  52  -0.169   0.923   1.876
  428   1HD   ARG  52          1HD       ARG  52  -2.310   0.344   3.923
  429   2HD   ARG  52          2HD       ARG  52  -2.364  -0.025   2.196
  430    HE   ARG  52           HE       ARG  52  -0.103  -1.231   3.267
  431   1HH1  ARG  52          1HH1      ARG  52  -3.612  -1.643   3.393
  432   2HH1  ARG  52          2HH1      ARG  52  -3.527  -3.258   3.934
  433   1HH2  ARG  52          1HH2      ARG  52   0.003  -3.394   4.007
  434   2HH2  ARG  52          2HH2      ARG  52  -1.423  -4.285   4.314
  435    H    ILE  53           H        ILE  53  -2.014   3.142   6.139
  436    HA   ILE  53           HA       ILE  53  -3.448   0.776   7.166
  437    HB   ILE  53           HB       ILE  53  -3.660   3.710   7.900
  438   1HG1  ILE  53          1HG1      ILE  53  -1.592   2.781   8.793
  439   2HG1  ILE  53          2HG1      ILE  53  -2.717   3.090  10.109
  440   1HG2  ILE  53          1HG2      ILE  53  -5.147   2.984   9.749
  441   2HG2  ILE  53          2HG2      ILE  53  -5.073   1.334   9.132
  442   3HG2  ILE  53          3HG2      ILE  53  -5.810   2.606   8.157
  443   1HD1  ILE  53          1HD1      ILE  53  -1.543   0.994  10.428
  444   2HD1  ILE  53          2HD1      ILE  53  -2.121   0.406   8.872
  445   3HD1  ILE  53          3HD1      ILE  53  -3.264   0.700  10.183
  446    H    ILE  54           H        ILE  54  -5.512   0.470   6.244
  447    HA   ILE  54           HA       ILE  54  -6.109   1.956   3.844
  448    HB   ILE  54           HB       ILE  54  -7.757  -0.165   5.279
  449   1HG1  ILE  54          1HG1      ILE  54  -5.781  -0.499   3.005
  450   2HG1  ILE  54          2HG1      ILE  54  -5.490  -0.975   4.670
  451   1HG2  ILE  54          1HG2      ILE  54  -7.886   0.727   2.392
  452   2HG2  ILE  54          2HG2      ILE  54  -9.030   1.187   3.646
  453   3HG2  ILE  54          3HG2      ILE  54  -8.892  -0.503   3.158
  454   1HD1  ILE  54          1HD1      ILE  54  -6.057  -2.887   3.297
  455   2HD1  ILE  54          2HD1      ILE  54  -7.576  -2.124   2.827
  456   3HD1  ILE  54          3HD1      ILE  54  -7.312  -2.609   4.504
  457    H    GLY  55           H        GLY  55  -7.354   1.800   7.113
  458   1HA   GLY  55          1HA       GLY  55  -8.376   3.603   8.215
  459   2HA   GLY  55          2HA       GLY  55  -8.598   4.387   6.653
  460    H    ILE  56           H        ILE  56  -9.601   1.818   5.627
  461    HA   ILE  56           HA       ILE  56 -12.347   2.100   6.523
  462    HB   ILE  56           HB       ILE  56 -11.162   0.731   4.098
  463   1HG1  ILE  56          1HG1      ILE  56 -11.021   3.157   3.918
  464   2HG1  ILE  56          2HG1      ILE  56 -12.209   2.540   2.780
  465   1HG2  ILE  56          1HG2      ILE  56 -13.489   0.490   3.277
  466   2HG2  ILE  56          2HG2      ILE  56 -14.077   1.121   4.815
  467   3HG2  ILE  56          3HG2      ILE  56 -13.205  -0.410   4.767
  468   1HD1  ILE  56          1HD1      ILE  56 -14.000   3.230   4.312
  469   2HD1  ILE  56          2HD1      ILE  56 -12.988   4.582   3.809
  470   3HD1  ILE  56          3HD1      ILE  56 -12.789   3.883   5.415
  471    HA   PRO  57           HA       PRO  57 -11.515  -1.625   8.913
  472   1HB   PRO  57          1HB       PRO  57 -14.476  -1.751   8.970
  473   2HB   PRO  57          2HB       PRO  57 -13.327  -1.754  10.313
  474   1HG   PRO  57          1HG       PRO  57 -14.801   0.391   9.769
  475   2HG   PRO  57          2HG       PRO  57 -13.118   0.543  10.312
  476   1HD   PRO  57          1HD       PRO  57 -14.267   0.837   7.573
  477   2HD   PRO  57          2HD       PRO  57 -12.979   1.763   8.377
  478    HA   PRO  58           HA       PRO  58 -12.710  -4.453   5.591
  479   1HB   PRO  58          1HB       PRO  58 -10.353  -5.715   5.467
  480   2HB   PRO  58          2HB       PRO  58 -10.597  -4.139   4.719
  481   1HG   PRO  58          1HG       PRO  58  -8.960  -4.835   7.042
  482   2HG   PRO  58          2HG       PRO  58  -8.988  -3.330   6.112
  483   1HD   PRO  58          1HD       PRO  58 -10.306  -3.960   8.643
  484   2HD   PRO  58          2HD       PRO  58 -10.063  -2.388   7.845
  485    H    VAL  59           H        VAL  59 -12.326  -6.894   5.487
  486    HA   VAL  59           HA       VAL  59 -13.177  -8.125   7.874
  487    HB   VAL  59           HB       VAL  59 -11.990  -9.398   5.365
  488   1HG1  VAL  59          1HG1      VAL  59 -13.048 -11.486   6.108
  489   2HG1  VAL  59          2HG1      VAL  59 -13.567 -10.694   7.594
  490   3HG1  VAL  59          3HG1      VAL  59 -11.849 -10.929   7.276
  491   1HG2  VAL  59          1HG2      VAL  59 -14.860  -9.043   6.211
  492   2HG2  VAL  59          2HG2      VAL  59 -14.302  -9.850   4.744
  493   3HG2  VAL  59          3HG2      VAL  59 -14.030  -8.119   4.963
  494    HA   PRO  60           HA       PRO  60  -9.166  -7.932   9.700
  495   1HB   PRO  60          1HB       PRO  60  -9.736  -9.014  12.073
  496   2HB   PRO  60          2HB       PRO  60 -10.386  -7.443  11.590
  497   1HG   PRO  60          1HG       PRO  60 -11.698 -10.136  11.500
  498   2HG   PRO  60          2HG       PRO  60 -12.356  -8.607  12.111
  499   1HD   PRO  60          1HD       PRO  60 -12.921  -9.568   9.643
  500   2HD   PRO  60          2HD       PRO  60 -12.831  -7.832  10.005
  501    H    ILE  61           H        ILE  61  -8.993  -9.991   7.828
  502    HA   ILE  61           HA       ILE  61  -7.658 -12.062   9.432
  503    HB   ILE  61           HB       ILE  61  -9.108 -12.450   6.774
  504   1HG1  ILE  61          1HG1      ILE  61  -9.911 -13.476   9.504
  505   2HG1  ILE  61          2HG1      ILE  61 -10.645 -12.090   8.712
  506   1HG2  ILE  61          1HG2      ILE  61  -7.177 -13.952   7.063
  507   2HG2  ILE  61          2HG2      ILE  61  -8.692 -14.852   7.133
  508   3HG2  ILE  61          3HG2      ILE  61  -7.819 -14.482   8.619
  509   1HD1  ILE  61          1HD1      ILE  61 -11.410 -13.534   6.910
  510   2HD1  ILE  61          2HD1      ILE  61 -12.002 -14.090   8.476
  511   3HD1  ILE  61          3HD1      ILE  61 -10.647 -14.914   7.696
  512    H    GLY  62           H        GLY  62  -5.566 -12.635   8.506
  513   1HA   GLY  62          1HA       GLY  62  -4.678 -12.257   6.003
  514   2HA   GLY  62          2HA       GLY  62  -4.617 -10.629   6.673
  515    H    ILE  63           H        ILE  63  -2.496 -12.386   5.698
  516    HA   ILE  63           HA       ILE  63  -0.894 -12.455   8.136
  517    HB   ILE  63           HB       ILE  63   0.296 -14.404   7.210
  518   1HG1  ILE  63          1HG1      ILE  63  -1.952 -14.491   5.182
  519   2HG1  ILE  63          2HG1      ILE  63  -0.277 -14.083   4.841
  520   1HG2  ILE  63          1HG2      ILE  63  -1.435 -14.746   8.888
  521   2HG2  ILE  63          2HG2      ILE  63  -1.415 -16.097   7.754
  522   3HG2  ILE  63          3HG2      ILE  63  -2.663 -14.856   7.629
  523   1HD1  ILE  63          1HD1      ILE  63  -1.287 -16.742   5.813
  524   2HD1  ILE  63          2HD1      ILE  63   0.396 -16.330   5.468
  525   3HD1  ILE  63          3HD1      ILE  63  -0.795 -16.337   4.168
  526    H    ASP  64           H        ASP  64   1.308 -12.055   7.800
  527    HA   ASP  64           HA       ASP  64   2.049 -10.896   5.196
  528   1HB   ASP  64          1HB       ASP  64   1.680  -9.183   7.007
  529   2HB   ASP  64          2HB       ASP  64   2.942  -9.969   7.945
  530    H    GLU  65           H        GLU  65   3.609 -12.180   4.326
  531    HA   GLU  65           HA       GLU  65   4.927 -14.080   6.025
  532   1HB   GLU  65          1HB       GLU  65   4.966 -13.641   3.045
  533   2HB   GLU  65          2HB       GLU  65   5.942 -14.868   3.815
  534   1HG   GLU  65          1HG       GLU  65   3.868 -15.853   4.765
  535   2HG   GLU  65          2HG       GLU  65   2.939 -14.662   3.862
  536    H    GLU  66           H        GLU  66   6.215 -11.963   3.545
  537    HA   GLU  66           HA       GLU  66   8.383 -11.131   5.274
  538   1HB   GLU  66          1HB       GLU  66   9.028 -13.310   4.113
  539   2HB   GLU  66          2HB       GLU  66   8.825 -12.445   2.596
  540   1HG   GLU  66          1HG       GLU  66  10.609 -10.894   3.350
  541   2HG   GLU  66          2HG       GLU  66  10.890 -12.008   4.697
  542    H    ARG  67           H        ARG  67   9.530  -9.403   3.997
  543    HA   ARG  67           HA       ARG  67   7.501  -7.883   2.634
  544   1HB   ARG  67          1HB       ARG  67   8.994  -6.776   4.265
  545   2HB   ARG  67          2HB       ARG  67  10.349  -7.133   3.195
  546   1HG   ARG  67          1HG       ARG  67   9.403  -4.776   3.098
  547   2HG   ARG  67          2HG       ARG  67   9.636  -5.622   1.563
  548   1HD   ARG  67          1HD       ARG  67   7.467  -4.512   1.619
  549   2HD   ARG  67          2HD       ARG  67   7.352  -6.266   1.520
  550    HE   ARG  67           HE       ARG  67   7.071  -4.901   4.107
  551   1HH1  ARG  67          1HH1      ARG  67   5.639  -7.070   1.634
  552   2HH1  ARG  67          2HH1      ARG  67   4.424  -7.619   2.697
  553   1HH2  ARG  67          1HH2      ARG  67   5.356  -5.728   5.481
  554   2HH2  ARG  67          2HH2      ARG  67   4.287  -6.910   4.888
  555    H    SER  68           H        SER  68  10.454  -9.443   1.892
  556    HA   SER  68           HA       SER  68  10.365  -8.676  -0.850
  557   1HB   SER  68          1HB       SER  68  12.450 -10.308  -0.701
  558   2HB   SER  68          2HB       SER  68  12.507  -8.650  -0.062
  559    HG   SER  68           HG       SER  68  12.125 -11.078   1.337
  560    H    THR  69           H        THR  69   8.251 -10.143   0.165
  561    HA   THR  69           HA       THR  69   7.912 -12.240  -1.730
  562    HB   THR  69           HB       THR  69   7.641 -12.741   1.261
  563    HG1  THR  69           HG1      THR  69   9.874 -12.996   0.709
  564   1HG2  THR  69          1HG2      THR  69   7.118 -15.094   0.663
  565   2HG2  THR  69          2HG2      THR  69   7.206 -14.664  -1.042
  566   3HG2  THR  69          3HG2      THR  69   5.945 -13.970  -0.022
  567    H    VAL  70           H        VAL  70   5.417 -12.809  -1.381
  568    HA   VAL  70           HA       VAL  70   4.028 -10.262  -1.150
  569    HB   VAL  70           HB       VAL  70   2.053 -11.502  -1.780
  570   1HG1  VAL  70          1HG1      VAL  70   4.417 -12.108  -3.517
  571   2HG1  VAL  70          2HG1      VAL  70   3.343 -10.704  -3.585
  572   3HG1  VAL  70          3HG1      VAL  70   2.736 -12.299  -4.009
  573   1HG2  VAL  70          1HG2      VAL  70   2.433 -13.606  -0.638
  574   2HG2  VAL  70          2HG2      VAL  70   3.786 -13.975  -1.701
  575   3HG2  VAL  70          3HG2      VAL  70   2.149 -13.907  -2.352
  576    H    MET  71           H        MET  71   2.224 -10.009   0.034
  577    HA   MET  71           HA       MET  71   2.161 -11.463   2.567
  578   1HB   MET  71          1HB       MET  71   1.359  -9.395   3.646
  579   2HB   MET  71          2HB       MET  71   2.905  -9.085   2.883
  580   1HG   MET  71          1HG       MET  71   1.732  -8.015   1.001
  581   2HG   MET  71          2HG       MET  71   0.198  -8.300   1.818
  582   1HE   MET  71          1HE       MET  71  -0.473  -5.736   1.736
  583   2HE   MET  71          2HE       MET  71   0.987  -5.469   0.797
  584   3HE   MET  71          3HE       MET  71   0.628  -4.433   2.182
  585    H    ILE  72           H        ILE  72   0.147 -12.339   2.976
  586    HA   ILE  72           HA       ILE  72  -1.833 -11.692   0.924
  587    HB   ILE  72           HB       ILE  72  -1.502 -14.382   2.298
  588   1HG1  ILE  72          1HG1      ILE  72   0.307 -13.954   0.660
  589   2HG1  ILE  72          2HG1      ILE  72  -0.765 -15.240   0.123
  590   1HG2  ILE  72          1HG2      ILE  72  -3.360 -13.518   0.080
  591   2HG2  ILE  72          2HG2      ILE  72  -3.824 -13.903   1.736
  592   3HG2  ILE  72          3HG2      ILE  72  -3.186 -15.166   0.682
  593   1HD1  ILE  72          1HD1      ILE  72  -0.148 -13.796  -1.725
  594   2HD1  ILE  72          2HD1      ILE  72  -0.765 -12.389  -0.864
  595   3HD1  ILE  72          3HD1      ILE  72  -1.875 -13.652  -1.395
  596    HA   PRO  73           HA       PRO  73  -3.904 -10.804   4.754
  597   1HB   PRO  73          1HB       PRO  73  -4.817  -8.297   3.806
  598   2HB   PRO  73          2HB       PRO  73  -3.477  -8.573   4.918
  599   1HG   PRO  73          1HG       PRO  73  -3.265  -7.576   2.303
  600   2HG   PRO  73          2HG       PRO  73  -1.935  -8.200   3.292
  601   1HD   PRO  73          1HD       PRO  73  -3.502  -9.558   1.146
  602   2HD   PRO  73          2HD       PRO  73  -1.781  -9.717   1.574
  603    H    TYR  74           H        TYR  74  -6.125 -11.062   5.085
  604    HA   TYR  74           HA       TYR  74  -7.735 -11.130   2.688
  605   1HB   TYR  74          1HB       TYR  74  -7.872 -12.885   5.146
  606   2HB   TYR  74          2HB       TYR  74  -9.207 -12.771   3.997
  607    HD1  TYR  74           HD1      TYR  74  -8.683 -13.289   1.552
  608    HD2  TYR  74           HD2      TYR  74  -6.110 -14.396   4.746
  609    HE1  TYR  74           HE1      TYR  74  -7.618 -14.960   0.098
  610    HE2  TYR  74           HE2      TYR  74  -5.035 -16.072   3.300
  611    HH   TYR  74           HH       TYR  74  -5.672 -17.385   1.292
  612    H    THR  75           H        THR  75  -7.168  -8.927   3.728
  613    HA   THR  75           HA       THR  75  -9.324  -8.064   5.412
  614    HB   THR  75           HB       THR  75  -8.252  -5.889   5.171
  615    HG1  THR  75           HG1      THR  75  -7.228  -6.590   3.123
  616   1HG2  THR  75          1HG2      THR  75  -6.404  -8.091   6.129
  617   2HG2  THR  75          2HG2      THR  75  -7.643  -7.273   7.081
  618   3HG2  THR  75          3HG2      THR  75  -6.218  -6.386   6.540
  619    H    LYS  76           H        LYS  76 -11.053  -7.940   4.328
  620    HA   LYS  76           HA       LYS  76 -11.031  -7.010   1.533
  621   1HB   LYS  76          1HB       LYS  76 -13.302  -8.385   2.988
  622   2HB   LYS  76          2HB       LYS  76 -13.114  -8.166   1.253
  623   1HG   LYS  76          1HG       LYS  76 -11.228  -9.704   1.227
  624   2HG   LYS  76          2HG       LYS  76 -11.307  -9.861   2.975
  625   1HD   LYS  76          1HD       LYS  76 -12.323 -11.796   2.004
  626   2HD   LYS  76          2HD       LYS  76 -13.593 -10.813   2.719
  627   1HE   LYS  76          1HE       LYS  76 -14.333 -11.629   0.576
  628   2HE   LYS  76          2HE       LYS  76 -14.082  -9.890   0.460
  629   1HZ   LYS  76          1HZ       LYS  76 -13.166 -11.008  -1.460
  630   2HZ   LYS  76          2HZ       LYS  76 -12.274 -12.027  -0.513
  631   3HZ   LYS  76          3HZ       LYS  76 -11.872 -10.392  -0.566
  632    HA   PRO  77           HA       PRO  77 -13.088  -3.471   3.589
  633   1HB   PRO  77          1HB       PRO  77 -11.543  -1.571   2.348
  634   2HB   PRO  77          2HB       PRO  77 -11.096  -2.347   3.864
  635   1HG   PRO  77          1HG       PRO  77  -9.801  -2.589   1.313
  636   2HG   PRO  77          2HG       PRO  77  -9.372  -3.393   2.828
  637   1HD   PRO  77          1HD       PRO  77 -10.934  -4.421   0.524
  638   2HD   PRO  77          2HD       PRO  77  -9.969  -5.300   1.732
  639    H    CYS  78           H        CYS  78 -13.494  -1.150   2.264
  640    HA   CYS  78           HA       CYS  78 -15.171  -1.968   0.051
  641   1HB   CYS  78          1HB       CYS  78 -15.995  -0.444   1.863
  642   2HB   CYS  78          2HB       CYS  78 -14.843   0.763   1.316
  643    HG   CYS  78           HG       CYS  78 -17.303  -0.449  -0.723
  644    H    TYR  79           H        TYR  79 -12.041  -1.017   0.399
  645    HA   TYR  79           HA       TYR  79 -11.909   0.414  -2.151
  646   1HB   TYR  79          1HB       TYR  79 -10.646   1.300  -0.161
  647   2HB   TYR  79          2HB       TYR  79  -9.679  -0.163  -0.168
  648    HD1  TYR  79           HD1      TYR  79  -7.962  -0.505  -1.927
  649    HD2  TYR  79           HD2      TYR  79 -10.307   3.043  -1.789
  650    HE1  TYR  79           HE1      TYR  79  -6.361   0.607  -3.433
  651    HE2  TYR  79           HE2      TYR  79  -8.721   4.156  -3.296
  652    HH   TYR  79           HH       TYR  79  -6.288   3.909  -3.840
  653    H    GLY  80           H        GLY  80  -9.705  -2.000  -0.679
  654   1HA   GLY  80          1HA       GLY  80 -10.267  -4.170  -2.247
  655   2HA   GLY  80          2HA       GLY  80  -9.068  -3.207  -3.116
  656    H    THR  81           H        THR  81  -8.227  -5.609  -2.368
  657    HA   THR  81           HA       THR  81  -6.915  -5.350   0.218
  658    HB   THR  81           HB       THR  81  -6.965  -7.710  -1.673
  659    HG1  THR  81           HG1      THR  81  -8.562  -7.155   0.629
  660   1HG2  THR  81          1HG2      THR  81  -6.308  -7.518   1.275
  661   2HG2  THR  81          2HG2      THR  81  -5.139  -7.757  -0.022
  662   3HG2  THR  81          3HG2      THR  81  -6.339  -9.003   0.324
  663    H    ALA  82           H        ALA  82  -4.687  -5.366   0.452
  664    HA   ALA  82           HA       ALA  82  -3.317  -4.547  -1.969
  665   1HB   ALA  82          1HB       ALA  82  -1.877  -3.303  -0.450
  666   2HB   ALA  82          2HB       ALA  82  -2.817  -3.886   0.923
  667   3HB   ALA  82          3HB       ALA  82  -3.569  -2.838  -0.279
  668    H    VAL  83           H        VAL  83  -1.761  -5.912  -2.660
  669    HA   VAL  83           HA       VAL  83  -0.257  -7.512  -0.703
  670    HB   VAL  83           HB       VAL  83  -0.908  -8.253  -3.582
  671   1HG1  VAL  83          1HG1      VAL  83   1.175  -9.200  -2.744
  672   2HG1  VAL  83          2HG1      VAL  83  -0.034 -10.464  -2.975
  673   3HG1  VAL  83          3HG1      VAL  83   0.321  -9.869  -1.355
  674   1HG2  VAL  83          1HG2      VAL  83  -2.171  -9.366  -1.073
  675   2HG2  VAL  83          2HG2      VAL  83  -2.421  -9.987  -2.703
  676   3HG2  VAL  83          3HG2      VAL  83  -2.970  -8.364  -2.283
  677    H    VAL  84           H        VAL  84   1.871  -6.926  -0.736
  678    HA   VAL  84           HA       VAL  84   2.878  -5.724  -3.201
  679    HB   VAL  84           HB       VAL  84   4.238  -4.052  -1.941
  680   1HG1  VAL  84          1HG1      VAL  84   2.555  -2.613  -1.041
  681   2HG1  VAL  84          2HG1      VAL  84   1.392  -3.938  -1.078
  682   3HG1  VAL  84          3HG1      VAL  84   2.078  -3.326  -2.582
  683   1HG2  VAL  84          1HG2      VAL  84   4.027  -3.773   0.485
  684   2HG2  VAL  84          2HG2      VAL  84   4.680  -5.360   0.089
  685   3HG2  VAL  84          3HG2      VAL  84   2.995  -5.202   0.573
  686    H    GLU  85           H        GLU  85   4.856  -6.461  -3.865
  687    HA   GLU  85           HA       GLU  85   6.318  -8.153  -2.003
  688   1HB   GLU  85          1HB       GLU  85   5.060  -9.682  -3.392
  689   2HB   GLU  85          2HB       GLU  85   5.625  -8.873  -4.857
  690   1HG   GLU  85          1HG       GLU  85   7.912  -9.563  -4.333
  691   2HG   GLU  85          2HG       GLU  85   7.316 -10.347  -2.870
  692    H    LEU  86           H        LEU  86   8.316  -7.567  -1.903
  693    HA   LEU  86           HA       LEU  86   9.338  -5.768  -3.963
  694   1HB   LEU  86          1HB       LEU  86   9.209  -5.042  -1.572
  695   2HB   LEU  86          2HB       LEU  86  10.306  -6.337  -1.160
  696    HG   LEU  86           HG       LEU  86  11.968  -5.242  -2.703
  697   1HD1  LEU  86          1HD1      LEU  86  10.528  -3.855  -3.985
  698   2HD1  LEU  86          2HD1      LEU  86  11.697  -2.857  -3.124
  699   3HD1  LEU  86          3HD1      LEU  86  10.034  -2.959  -2.548
  700   1HD2  LEU  86          1HD2      LEU  86  11.038  -3.794  -0.239
  701   2HD2  LEU  86          2HD2      LEU  86  12.598  -3.547  -1.017
  702   3HD2  LEU  86          3HD2      LEU  86  12.206  -5.116  -0.310
  703    HA   PRO  87           HA       PRO  87  11.991  -9.347  -4.841
  704   1HB   PRO  87          1HB       PRO  87  13.243  -8.424  -7.026
  705   2HB   PRO  87          2HB       PRO  87  11.537  -8.882  -7.084
  706   1HG   PRO  87          1HG       PRO  87  12.762  -6.168  -6.884
  707   2HG   PRO  87          2HG       PRO  87  11.367  -6.698  -7.837
  708   1HD   PRO  87          1HD       PRO  87  11.202  -5.395  -5.402
  709   2HD   PRO  87          2HD       PRO  87   9.921  -6.418  -6.081
  710    H    VAL  88           H        VAL  88  12.696  -6.494  -3.629
  711    HA   VAL  88           HA       VAL  88  15.622  -6.723  -3.531
  712    HB   VAL  88           HB       VAL  88  13.899  -4.475  -2.467
  713   1HG1  VAL  88          1HG1      VAL  88  16.131  -4.480  -1.638
  714   2HG1  VAL  88          2HG1      VAL  88  15.874  -3.096  -2.699
  715   3HG1  VAL  88          3HG1      VAL  88  16.772  -4.498  -3.280
  716   1HG2  VAL  88          1HG2      VAL  88  13.319  -4.637  -4.808
  717   2HG2  VAL  88          2HG2      VAL  88  15.021  -4.650  -5.256
  718   3HG2  VAL  88          3HG2      VAL  88  14.311  -3.201  -4.542
  719    H    ASP  89           H        ASP  89  16.481  -6.565  -1.337
  720    HA   ASP  89           HA       ASP  89  15.144  -8.113   0.597
  721   1HB   ASP  89          1HB       ASP  89  17.547  -6.324   0.721
  722   2HB   ASP  89          2HB       ASP  89  16.903  -7.056   2.184
  723    HA   PRO  90           HA       PRO  90  12.336  -5.454   2.665
  724   1HB   PRO  90          1HB       PRO  90  12.961  -6.060   5.327
  725   2HB   PRO  90          2HB       PRO  90  11.836  -6.972   4.333
  726   1HG   PRO  90          1HG       PRO  90  14.708  -7.503   4.928
  727   2HG   PRO  90          2HG       PRO  90  13.366  -8.649   4.764
  728   1HD   PRO  90          1HD       PRO  90  15.153  -8.357   2.813
  729   2HD   PRO  90          2HD       PRO  90  13.431  -8.572   2.436
  730    H    GLU  91           H        GLU  91  15.662  -5.324   3.439
  731    HA   GLU  91           HA       GLU  91  15.821  -3.170   5.209
  732   1HB   GLU  91          1HB       GLU  91  18.150  -2.965   4.480
  733   2HB   GLU  91          2HB       GLU  91  17.708  -4.644   4.759
  734   1HG   GLU  91          1HG       GLU  91  17.440  -4.971   2.358
  735   2HG   GLU  91          2HG       GLU  91  17.870  -3.293   2.077
  736    H    GLU  92           H        GLU  92  15.080  -3.234   1.830
  737    HA   GLU  92           HA       GLU  92  15.988  -0.578   1.210
  738   1HB   GLU  92          1HB       GLU  92  15.475  -2.333  -0.531
  739   2HB   GLU  92          2HB       GLU  92  13.773  -2.116  -0.118
  740   1HG   GLU  92          1HG       GLU  92  14.270  -0.891  -2.129
  741   2HG   GLU  92          2HG       GLU  92  13.901   0.226  -0.819
  742    H    ILE  93           H        ILE  93  12.975  -2.036   2.218
  743    HA   ILE  93           HA       ILE  93  11.629   0.419   2.050
  744    HB   ILE  93           HB       ILE  93  10.722  -2.265   3.103
  745   1HG1  ILE  93          1HG1      ILE  93   9.969  -0.545   0.738
  746   2HG1  ILE  93          2HG1      ILE  93  10.986  -1.973   0.699
  747   1HG2  ILE  93          1HG2      ILE  93   9.066   0.271   2.989
  748   2HG2  ILE  93          2HG2      ILE  93   9.588  -0.543   4.464
  749   3HG2  ILE  93          3HG2      ILE  93   8.462  -1.344   3.367
  750   1HD1  ILE  93          1HD1      ILE  93   8.060  -1.895   1.398
  751   2HD1  ILE  93          2HD1      ILE  93   9.084  -3.333   1.344
  752   3HD1  ILE  93          3HD1      ILE  93   8.760  -2.426  -0.133
  753    H    GLU  94           H        GLU  94  13.443  -1.125   4.539
  754    HA   GLU  94           HA       GLU  94  12.448   0.522   6.652
  755   1HB   GLU  94          1HB       GLU  94  13.714  -1.551   7.141
  756   2HB   GLU  94          2HB       GLU  94  15.153  -0.843   6.419
  757   1HG   GLU  94          1HG       GLU  94  15.253   0.833   8.146
  758   2HG   GLU  94          2HG       GLU  94  13.735   0.267   8.833
  759    H    ARG  95           H        ARG  95  15.015   0.769   4.301
  760    HA   ARG  95           HA       ARG  95  16.047   3.241   5.169
  761   1HB   ARG  95          1HB       ARG  95  17.419   1.815   3.804
  762   2HB   ARG  95          2HB       ARG  95  16.174   1.664   2.593
  763   1HG   ARG  95          1HG       ARG  95  17.374   4.348   3.064
  764   2HG   ARG  95          2HG       ARG  95  18.312   3.135   2.190
  765   1HD   ARG  95          1HD       ARG  95  16.442   2.838   0.631
  766   2HD   ARG  95          2HD       ARG  95  15.533   4.069   1.499
  767    HE   ARG  95           HE       ARG  95  17.486   5.545   0.886
  768   1HH1  ARG  95          1HH1      ARG  95  16.595   2.767  -1.167
  769   2HH1  ARG  95          2HH1      ARG  95  16.866   3.594  -2.629
  770   1HH2  ARG  95          1HH2      ARG  95  17.834   6.672  -1.127
  771   2HH2  ARG  95          2HH2      ARG  95  17.606   5.877  -2.612
  772    H    ILE  96           H        ILE  96  13.498   2.287   2.990
  773    HA   ILE  96           HA       ILE  96  12.860   4.924   2.142
  774    HB   ILE  96           HB       ILE  96  11.310   2.310   1.965
  775   1HG1  ILE  96          1HG1      ILE  96  13.299   2.378   0.578
  776   2HG1  ILE  96          2HG1      ILE  96  11.860   2.395  -0.428
  777   1HG2  ILE  96          1HG2      ILE  96  10.525   4.930   0.687
  778   2HG2  ILE  96          2HG2      ILE  96   9.660   4.103   1.981
  779   3HG2  ILE  96          3HG2      ILE  96   9.764   3.368   0.381
  780   1HD1  ILE  96          1HD1      ILE  96  13.538   3.896  -1.309
  781   2HD1  ILE  96          2HD1      ILE  96  13.622   4.759   0.221
  782   3HD1  ILE  96          3HD1      ILE  96  12.147   4.824  -0.746
  783    H    LEU  97           H        LEU  97  12.232   3.184   5.001
  784    HA   LEU  97           HA       LEU  97   9.910   4.641   5.862
  785   1HB   LEU  97          1HB       LEU  97  10.446   2.412   6.773
  786   2HB   LEU  97          2HB       LEU  97  11.939   3.031   7.437
  787    HG   LEU  97           HG       LEU  97  10.582   4.511   8.929
  788   1HD1  LEU  97          1HD1      LEU  97   8.274   2.865   7.922
  789   2HD1  LEU  97          2HD1      LEU  97   8.522   4.592   7.659
  790   3HD1  LEU  97          3HD1      LEU  97   8.230   3.982   9.286
  791   1HD2  LEU  97          1HD2      LEU  97  11.534   2.443   9.748
  792   2HD2  LEU  97          2HD2      LEU  97  10.138   1.541   9.166
  793   3HD2  LEU  97          3HD2      LEU  97   9.948   2.710  10.473
  794    H    GLU  98           H        GLU  98  13.258   5.169   5.772
  795    HA   GLU  98           HA       GLU  98  13.358   7.256   7.745
  796   1HB   GLU  98          1HB       GLU  98  15.260   5.766   6.957
  797   2HB   GLU  98          2HB       GLU  98  15.198   6.666   5.459
  798   1HG   GLU  98          1HG       GLU  98  15.829   8.691   6.539
  799   2HG   GLU  98          2HG       GLU  98  15.734   7.927   8.127
  800    H    VAL  99           H        VAL  99  12.660   6.810   4.474
  801    HA   VAL  99           HA       VAL  99  12.587   9.631   3.703
  802    HB   VAL  99           HB       VAL  99  12.203   7.024   2.203
  803   1HG1  VAL  99          1HG1      VAL  99  12.668   9.793   1.078
  804   2HG1  VAL  99          2HG1      VAL  99  11.145   8.903   1.008
  805   3HG1  VAL  99          3HG1      VAL  99  12.555   8.313   0.124
  806   1HG2  VAL  99          1HG2      VAL  99  14.440   7.346   1.290
  807   2HG2  VAL  99          2HG2      VAL  99  14.454   7.213   3.051
  808   3HG2  VAL  99          3HG2      VAL  99  14.624   8.791   2.277
  809    H    ALA 100           H        ALA 100  10.723   7.933   5.516
  810    HA   ALA 100           HA       ALA 100   8.248   7.344   4.445
  811   1HB   ALA 100          1HB       ALA 100   7.332   7.405   6.644
  812   2HB   ALA 100          2HB       ALA 100   8.661   8.412   7.210
  813   3HB   ALA 100          3HB       ALA 100   8.969   6.745   6.722
  814    H    GLU 101           H        GLU 101   9.115  10.416   5.929
  815    HA   GLU 101           HA       GLU 101   6.625  11.316   4.857
  816   1HB   GLU 101          1HB       GLU 101   8.149  12.493   7.176
  817   2HB   GLU 101          2HB       GLU 101   6.735  13.246   6.461
  818   1HG   GLU 101          1HG       GLU 101   5.374  11.338   7.048
  819   2HG   GLU 101          2HG       GLU 101   6.788  10.497   7.677
  820    HA   PRO 102           HA       PRO 102   9.363  14.705   3.298
  821   1HB   PRO 102          1HB       PRO 102  12.139  14.122   3.642
  822   2HB   PRO 102          2HB       PRO 102  11.165  15.466   4.321
  823   1HG   PRO 102          1HG       PRO 102  12.263  13.465   5.847
  824   2HG   PRO 102          2HG       PRO 102  10.787  14.347   6.278
  825   1HD   PRO 102          1HD       PRO 102  11.063  11.691   4.929
  826   2HD   PRO 102          2HD       PRO 102   9.983  12.168   6.261
  Start of MODEL   10
    1    H    HIS   1           H        HIS   1   2.498   9.347 -12.040
    2    HA   HIS   1           HA       HIS   1   0.413   8.315 -11.491
    3   1HB   HIS   1          1HB       HIS   1   2.105   5.822 -11.109
    4   2HB   HIS   1          2HB       HIS   1   0.426   5.983 -10.644
    5    HD1  HIS   1           HD1      HIS   1  -1.360   5.734 -12.590
    6    HD2  HIS   1           HD2      HIS   1   2.613   5.368 -13.778
    7    HE1  HIS   1           HE1      HIS   1  -1.404   4.698 -14.864
    8    H    MET   2           H        MET   2   0.231   9.531  -9.674
    9    HA   MET   2           HA       MET   2   1.704   8.693  -7.325
   10   1HB   MET   2          1HB       MET   2   1.278  11.612  -8.070
   11   2HB   MET   2          2HB       MET   2   2.077  10.992  -6.647
   12   1HG   MET   2          1HG       MET   2   3.795  11.810  -8.024
   13   2HG   MET   2          2HG       MET   2   3.854  10.061  -8.196
   14   1HE   MET   2          1HE       MET   2   1.286  12.585  -9.886
   15   2HE   MET   2          2HE       MET   2   2.128  12.939 -11.392
   16   3HE   MET   2          3HE       MET   2   2.815  13.462  -9.856
   17    H    THR   3           H        THR   3   0.242   8.482  -5.685
   18    HA   THR   3           HA       THR   3  -2.314   9.847  -6.053
   19    HB   THR   3           HB       THR   3  -1.870   7.040  -5.035
   20    HG1  THR   3           HG1      THR   3  -3.025   8.285  -7.259
   21   1HG2  THR   3          1HG2      THR   3  -4.453   8.624  -5.116
   22   2HG2  THR   3          2HG2      THR   3  -3.593   8.147  -3.652
   23   3HG2  THR   3          3HG2      THR   3  -4.294   6.915  -4.706
   24    H    PHE   4           H        PHE   4  -2.668  11.338  -4.653
   25    HA   PHE   4           HA       PHE   4  -1.876  10.874  -1.862
   26   1HB   PHE   4          1HB       PHE   4  -2.052  13.531  -3.271
   27   2HB   PHE   4          2HB       PHE   4  -1.530  13.242  -1.606
   28    HD1  PHE   4           HD1      PHE   4   0.568  12.032  -1.178
   29    HD2  PHE   4           HD2      PHE   4  -0.552  13.273  -5.079
   30    HE1  PHE   4           HE1      PHE   4   2.862  11.667  -1.959
   31    HE2  PHE   4           HE2      PHE   4   1.740  12.913  -5.859
   32    HZ   PHE   4           HZ       PHE   4   3.441  12.082  -4.287
   33    H    CYS   5           H        CYS   5  -4.388  10.943  -3.879
   34    HA   CYS   5           HA       CYS   5  -6.162  12.590  -2.323
   35   1HB   CYS   5          1HB       CYS   5  -6.732  10.803  -4.695
   36   2HB   CYS   5          2HB       CYS   5  -7.840  11.982  -4.001
   37    HG   CYS   5           HG       CYS   5  -6.663  14.174  -4.898
   38    H    LEU   6           H        LEU   6  -6.309  11.595  -0.362
   39    HA   LEU   6           HA       LEU   6  -6.889   8.799  -0.254
   40   1HB   LEU   6          1HB       LEU   6  -6.902   9.136   2.259
   41   2HB   LEU   6          2HB       LEU   6  -5.365   9.212   1.431
   42    HG   LEU   6           HG       LEU   6  -5.449  10.683   3.283
   43   1HD1  LEU   6          1HD1      LEU   6  -4.141  11.535   1.496
   44   2HD1  LEU   6          2HD1      LEU   6  -4.886  12.840   2.404
   45   3HD1  LEU   6          3HD1      LEU   6  -5.531  12.400   0.832
   46   1HD2  LEU   6          1HD2      LEU   6  -6.992  12.606   3.477
   47   2HD2  LEU   6          2HD2      LEU   6  -7.813  11.051   3.568
   48   3HD2  LEU   6          3HD2      LEU   6  -7.880  11.997   2.083
   49    H    GLU   7           H        GLU   7  -8.661  11.725   0.218
   50    HA   GLU   7           HA       GLU   7 -10.815  10.313   1.471
   51   1HB   GLU   7          1HB       GLU   7 -10.347  12.507   2.315
   52   2HB   GLU   7          2HB       GLU   7 -10.394  13.203   0.716
   53   1HG   GLU   7          1HG       GLU   7 -12.900  11.998   1.733
   54   2HG   GLU   7          2HG       GLU   7 -12.340  13.484   2.501
   55    H    THR   8           H        THR   8  -9.829  10.970  -1.600
   56    HA   THR   8           HA       THR   8 -12.285  10.981  -2.992
   57    HB   THR   8           HB       THR   8  -9.553  10.093  -3.906
   58    HG1  THR   8           HG1      THR   8 -10.748  12.617  -3.489
   59   1HG2  THR   8          1HG2      THR   8 -11.385   9.647  -5.504
   60   2HG2  THR   8          2HG2      THR   8 -10.307  10.911  -6.099
   61   3HG2  THR   8          3HG2      THR   8 -11.869  11.340  -5.399
   62    H    TYR   9           H        TYR   9 -10.382   8.521  -1.446
   63    HA   TYR   9           HA       TYR   9 -11.482   6.477  -3.055
   64   1HB   TYR   9          1HB       TYR   9  -9.560   6.472  -0.799
   65   2HB   TYR   9          2HB       TYR   9 -10.312   4.966  -1.320
   66    HD1  TYR   9           HD1      TYR   9 -10.280   4.543  -3.902
   67    HD2  TYR   9           HD2      TYR   9  -7.643   7.193  -1.896
   68    HE1  TYR   9           HE1      TYR   9  -8.741   4.439  -5.813
   69    HE2  TYR   9           HE2      TYR   9  -6.100   7.102  -3.790
   70    HH   TYR   9           HH       TYR   9  -5.580   5.520  -5.626
   71    H    LEU  10           H        LEU  10 -12.465   8.077  -0.252
   72    HA   LEU  10           HA       LEU  10 -14.175   5.999   0.686
   73   1HB   LEU  10          1HB       LEU  10 -13.440   8.106   1.968
   74   2HB   LEU  10          2HB       LEU  10 -14.590   8.990   0.998
   75    HG   LEU  10           HG       LEU  10 -15.366   6.747   2.878
   76   1HD1  LEU  10          1HD1      LEU  10 -14.340   8.555   4.141
   77   2HD1  LEU  10          2HD1      LEU  10 -16.080   8.523   4.424
   78   3HD1  LEU  10          3HD1      LEU  10 -15.384   9.730   3.342
   79   1HD2  LEU  10          1HD2      LEU  10 -17.615   7.726   2.747
   80   2HD2  LEU  10          2HD2      LEU  10 -17.047   7.239   1.150
   81   3HD2  LEU  10          3HD2      LEU  10 -17.026   8.940   1.613
   82    H    GLN  11           H        GLN  11 -14.279   8.627  -1.563
   83    HA   GLN  11           HA       GLN  11 -17.042   8.630  -2.168
   84   1HB   GLN  11          1HB       GLN  11 -14.739   9.544  -3.897
   85   2HB   GLN  11          2HB       GLN  11 -16.414  10.036  -4.063
   86   1HG   GLN  11          1HG       GLN  11 -14.497  10.730  -1.847
   87   2HG   GLN  11          2HG       GLN  11 -15.170  11.812  -3.058
   88   1HE2  GLN  11          1HE2      GLN  11 -15.232  12.036  -0.230
   89   2HE2  GLN  11          2HE2      GLN  11 -16.887  12.068   0.269
   90    H    GLN  12           H        GLN  12 -14.271   6.901  -3.269
   91    HA   GLN  12           HA       GLN  12 -15.760   5.750  -5.453
   92   1HB   GLN  12          1HB       GLN  12 -12.863   5.406  -4.703
   93   2HB   GLN  12          2HB       GLN  12 -13.600   4.719  -6.136
   94   1HG   GLN  12          1HG       GLN  12 -13.307   7.646  -5.504
   95   2HG   GLN  12          2HG       GLN  12 -12.366   6.731  -6.674
   96   1HE2  GLN  12          1HE2      GLN  12 -14.667   5.245  -7.732
   97   2HE2  GLN  12          2HE2      GLN  12 -15.568   6.396  -8.639
   98    H    SER  13           H        SER  13 -15.359   5.093  -2.271
   99    HA   SER  13           HA       SER  13 -15.734   3.405  -0.945
  100   1HB   SER  13          1HB       SER  13 -17.044   2.170  -3.384
  101   2HB   SER  13          2HB       SER  13 -17.278   1.612  -1.724
  102    HG   SER  13           HG       SER  13 -18.229   3.534  -1.212
  103    H    GLY  14           H        GLY  14 -13.241   3.520  -1.922
  104   1HA   GLY  14          1HA       GLY  14 -12.410   0.731  -1.930
  105   2HA   GLY  14          2HA       GLY  14 -11.865   1.756  -3.259
  106    H    GLU  15           H        GLU  15 -12.313   2.321   0.166
  107    HA   GLU  15           HA       GLU  15 -10.141   3.968   0.537
  108   1HB   GLU  15          1HB       GLU  15 -11.571   2.172   2.502
  109   2HB   GLU  15          2HB       GLU  15 -10.477   3.474   2.956
  110   1HG   GLU  15          1HG       GLU  15 -11.944   5.118   2.030
  111   2HG   GLU  15          2HG       GLU  15 -12.971   3.874   1.324
  112    H    TYR  16           H        TYR  16  -8.075   3.632   1.148
  113    HA   TYR  16           HA       TYR  16  -7.020   0.912   1.533
  114   1HB   TYR  16          1HB       TYR  16  -7.016   1.486  -0.920
  115   2HB   TYR  16          2HB       TYR  16  -6.037   2.887  -0.558
  116    HD1  TYR  16           HD1      TYR  16  -5.951  -0.838  -0.100
  117    HD2  TYR  16           HD2      TYR  16  -3.767   2.707  -0.964
  118    HE1  TYR  16           HE1      TYR  16  -3.955  -2.190  -0.598
  119    HE2  TYR  16           HE2      TYR  16  -1.762   1.370  -1.450
  120    HH   TYR  16           HH       TYR  16  -0.814  -0.744  -1.129
  121    H    GLU  17           H        GLU  17  -7.529   3.461   2.970
  122    HA   GLU  17           HA       GLU  17  -4.998   3.752   4.271
  123   1HB   GLU  17          1HB       GLU  17  -4.863   6.140   4.058
  124   2HB   GLU  17          2HB       GLU  17  -4.808   5.332   2.514
  125   1HG   GLU  17          1HG       GLU  17  -7.369   6.519   3.530
  126   2HG   GLU  17          2HG       GLU  17  -6.139   7.501   2.733
  127    H    ILE  18           H        ILE  18  -5.373   5.638   5.990
  128    HA   ILE  18           HA       ILE  18  -7.903   5.001   6.722
  129    HB   ILE  18           HB       ILE  18  -6.448   4.075   8.406
  130   1HG1  ILE  18          1HG1      ILE  18  -8.047   6.300   9.713
  131   2HG1  ILE  18          2HG1      ILE  18  -8.676   4.727   9.252
  132   1HG2  ILE  18          1HG2      ILE  18  -5.189   5.489   9.998
  133   2HG2  ILE  18          2HG2      ILE  18  -5.488   6.867   8.922
  134   3HG2  ILE  18          3HG2      ILE  18  -4.601   5.443   8.349
  135   1HD1  ILE  18          1HD1      ILE  18  -7.235   3.662  10.910
  136   2HD1  ILE  18          2HD1      ILE  18  -8.260   4.889  11.651
  137   3HD1  ILE  18          3HD1      ILE  18  -6.560   5.233  11.336
  138    H    HIS  19           H        HIS  19  -7.473   7.089   5.093
  139    HA   HIS  19           HA       HIS  19  -8.032   9.190   4.502
  140   1HB   HIS  19          1HB       HIS  19  -9.780   8.813   6.879
  141   2HB   HIS  19          2HB       HIS  19  -9.735  10.378   6.071
  142    HD1  HIS  19           HD1      HIS  19 -10.919   6.846   5.592
  143    HD2  HIS  19           HD2      HIS  19 -10.763  10.446   3.543
  144    HE1  HIS  19           HE1      HIS  19 -12.403   6.578   3.611
  145    H    MET  20           H        MET  20  -5.885   8.758   6.415
  146    HA   MET  20           HA       MET  20  -5.625  11.357   7.625
  147   1HB   MET  20          1HB       MET  20  -4.299   8.777   7.754
  148   2HB   MET  20          2HB       MET  20  -3.224  10.114   8.142
  149   1HG   MET  20          1HG       MET  20  -5.808   9.265   9.465
  150   2HG   MET  20          2HG       MET  20  -4.185   9.188  10.150
  151   1HE   MET  20          1HE       MET  20  -2.797  11.307  10.941
  152   2HE   MET  20          2HE       MET  20  -3.351  12.969  10.751
  153   3HE   MET  20          3HE       MET  20  -2.944  12.010   9.329
  154    H    LYS  21           H        LYS  21  -2.634  10.330   6.476
  155    HA   LYS  21           HA       LYS  21  -2.885  12.094   4.141
  156   1HB   LYS  21          1HB       LYS  21  -1.766  13.257   5.997
  157   2HB   LYS  21          2HB       LYS  21  -0.620  11.939   6.141
  158   1HG   LYS  21          1HG       LYS  21   0.334  12.461   4.018
  159   2HG   LYS  21          2HG       LYS  21  -0.904  13.685   3.717
  160   1HD   LYS  21          1HD       LYS  21  -0.122  14.985   5.588
  161   2HD   LYS  21          2HD       LYS  21   1.044  13.735   6.008
  162   1HE   LYS  21          1HE       LYS  21   2.139  15.558   4.832
  163   2HE   LYS  21          2HE       LYS  21   2.177  14.089   3.868
  164   1HZ   LYS  21          1HZ       LYS  21   1.682  15.931   2.534
  165   2HZ   LYS  21          2HZ       LYS  21   0.363  16.402   3.481
  166   3HZ   LYS  21          3HZ       LYS  21   0.302  14.962   2.577
  167    H    ARG  22           H        ARG  22  -2.444  10.908   2.329
  168    HA   ARG  22           HA       ARG  22  -0.857   8.486   2.743
  169   1HB   ARG  22          1HB       ARG  22  -2.252   7.354   1.120
  170   2HB   ARG  22          2HB       ARG  22  -3.304   8.368   2.043
  171   1HG   ARG  22          1HG       ARG  22  -3.549   9.929   0.326
  172   2HG   ARG  22          2HG       ARG  22  -2.178   9.263  -0.562
  173   1HD   ARG  22          1HD       ARG  22  -4.779   7.836  -0.035
  174   2HD   ARG  22          2HD       ARG  22  -4.299   8.620  -1.541
  175    HE   ARG  22           HE       ARG  22  -2.269   6.917  -1.209
  176   1HH1  ARG  22          1HH1      ARG  22  -5.700   6.118  -0.659
  177   2HH1  ARG  22          2HH1      ARG  22  -5.578   4.608  -1.375
  178   1HH2  ARG  22          1HH2      ARG  22  -2.125   4.954  -2.099
  179   2HH2  ARG  22          2HH2      ARG  22  -3.454   3.880  -2.322
  180    H    ALA  23           H        ALA  23   0.458   7.817   0.772
  181    HA   ALA  23           HA       ALA  23   1.043   9.905  -1.154
  182   1HB   ALA  23          1HB       ALA  23   2.376  10.683   0.704
  183   2HB   ALA  23          2HB       ALA  23   3.437  10.119  -0.596
  184   3HB   ALA  23          3HB       ALA  23   3.161   9.115   0.826
  185    H    GLY  24           H        GLY  24   0.500   8.279  -2.694
  186   1HA   GLY  24          1HA       GLY  24   2.237   5.924  -2.858
  187   2HA   GLY  24          2HA       GLY  24   0.675   6.131  -3.622
  188    H    PHE  25           H        PHE  25   3.999   7.036  -3.693
  189    HA   PHE  25           HA       PHE  25   3.847   8.343  -6.276
  190   1HB   PHE  25          1HB       PHE  25   6.132   7.393  -4.588
  191   2HB   PHE  25          2HB       PHE  25   6.381   8.198  -6.123
  192    HD1  PHE  25           HD1      PHE  25   6.065  10.583  -6.300
  193    HD2  PHE  25           HD2      PHE  25   5.326   8.585  -2.627
  194    HE1  PHE  25           HE1      PHE  25   6.081  12.743  -5.132
  195    HE2  PHE  25           HE2      PHE  25   5.337  10.743  -1.447
  196    HZ   PHE  25           HZ       PHE  25   5.720  12.826  -2.697
  197    H    ARG  26           H        ARG  26   4.883   5.255  -5.087
  198    HA   ARG  26           HA       ARG  26   5.413   4.441  -7.872
  199   1HB   ARG  26          1HB       ARG  26   6.361   3.346  -5.257
  200   2HB   ARG  26          2HB       ARG  26   6.533   2.464  -6.756
  201   1HG   ARG  26          1HG       ARG  26   7.667   5.208  -6.312
  202   2HG   ARG  26          2HG       ARG  26   8.556   3.706  -6.018
  203   1HD   ARG  26          1HD       ARG  26   8.135   3.035  -8.310
  204   2HD   ARG  26          2HD       ARG  26   7.323   4.571  -8.608
  205    HE   ARG  26           HE       ARG  26   9.947   4.939  -7.591
  206   1HH1  ARG  26          1HH1      ARG  26   8.162   4.182 -10.531
  207   2HH1  ARG  26          2HH1      ARG  26   9.364   4.694 -11.619
  208   1HH2  ARG  26          1HH2      ARG  26  11.650   5.608  -9.019
  209   2HH2  ARG  26          2HH2      ARG  26  11.442   5.576 -10.711
  210    H    GLU  27           H        GLU  27   3.757   3.531  -4.953
  211    HA   GLU  27           HA       GLU  27   2.756   1.128  -6.099
  212   1HB   GLU  27          1HB       GLU  27   3.404   1.581  -3.683
  213   2HB   GLU  27          2HB       GLU  27   1.859   2.406  -3.580
  214   1HG   GLU  27          1HG       GLU  27   0.685   0.408  -4.037
  215   2HG   GLU  27          2HG       GLU  27   2.192  -0.452  -4.378
  216    H    CYS  28           H        CYS  28   1.871   4.329  -6.567
  217    HA   CYS  28           HA       CYS  28  -0.822   4.470  -6.471
  218   1HB   CYS  28          1HB       CYS  28   0.538   6.311  -7.200
  219   2HB   CYS  28          2HB       CYS  28   1.060   5.422  -8.623
  220    HG   CYS  28           HG       CYS  28  -2.047   6.624  -7.981
  221    H    ALA  29           H        ALA  29   1.223   3.040  -9.028
  222    HA   ALA  29           HA       ALA  29  -0.946   2.269 -10.710
  223   1HB   ALA  29          1HB       ALA  29   1.311   2.681 -11.590
  224   2HB   ALA  29          2HB       ALA  29   0.732   1.064 -11.998
  225   3HB   ALA  29          3HB       ALA  29   1.899   1.283 -10.692
  226    H    ALA  30           H        ALA  30   0.922   0.682  -8.277
  227    HA   ALA  30           HA       ALA  30   0.118  -1.926  -8.596
  228   1HB   ALA  30          1HB       ALA  30   0.786  -2.234  -6.325
  229   2HB   ALA  30          2HB       ALA  30   0.697  -0.495  -6.042
  230   3HB   ALA  30          3HB       ALA  30   1.911  -1.147  -7.142
  231    H    MET  31           H        MET  31  -1.348   0.656  -6.702
  232    HA   MET  31           HA       MET  31  -3.260  -1.089  -5.516
  233   1HB   MET  31          1HB       MET  31  -4.418   0.782  -4.620
  234   2HB   MET  31          2HB       MET  31  -2.700   1.097  -4.480
  235   1HG   MET  31          1HG       MET  31  -2.798   2.630  -6.347
  236   2HG   MET  31          2HG       MET  31  -4.496   2.249  -6.608
  237   1HE   MET  31          1HE       MET  31  -6.110   3.632  -3.280
  238   2HE   MET  31          2HE       MET  31  -5.406   2.031  -3.406
  239   3HE   MET  31          3HE       MET  31  -6.378   2.674  -4.735
  240    H    ILE  32           H        ILE  32  -3.290   0.727  -8.447
  241    HA   ILE  32           HA       ILE  32  -6.016   0.495  -9.075
  242    HB   ILE  32           HB       ILE  32  -3.592   0.599 -10.894
  243   1HG1  ILE  32          1HG1      ILE  32  -5.389   2.836  -9.913
  244   2HG1  ILE  32          2HG1      ILE  32  -3.759   2.511  -9.342
  245   1HG2  ILE  32          1HG2      ILE  32  -5.152   1.439 -12.624
  246   2HG2  ILE  32          2HG2      ILE  32  -6.500   1.204 -11.514
  247   3HG2  ILE  32          3HG2      ILE  32  -5.589  -0.189 -12.099
  248   1HD1  ILE  32          1HD1      ILE  32  -4.529   3.339 -12.133
  249   2HD1  ILE  32          2HD1      ILE  32  -2.889   3.012 -11.576
  250   3HD1  ILE  32          3HD1      ILE  32  -3.794   4.368 -10.904
  251    H    GLU  33           H        GLU  33  -3.240  -1.604  -9.500
  252    HA   GLU  33           HA       GLU  33  -4.637  -3.533 -11.073
  253   1HB   GLU  33          1HB       GLU  33  -2.009  -3.818  -9.615
  254   2HB   GLU  33          2HB       GLU  33  -2.593  -4.780 -10.973
  255   1HG   GLU  33          1HG       GLU  33  -2.491  -2.813 -12.408
  256   2HG   GLU  33          2HG       GLU  33  -1.888  -1.858 -11.057
  257    H    LYS  34           H        LYS  34  -3.709  -3.106  -7.714
  258    HA   LYS  34           HA       LYS  34  -4.339  -5.662  -6.725
  259   1HB   LYS  34          1HB       LYS  34  -4.171  -2.971  -5.418
  260   2HB   LYS  34          2HB       LYS  34  -4.581  -4.411  -4.507
  261   1HG   LYS  34          1HG       LYS  34  -2.528  -5.325  -4.725
  262   2HG   LYS  34          2HG       LYS  34  -2.082  -4.390  -6.159
  263   1HD   LYS  34          1HD       LYS  34  -2.008  -2.368  -4.760
  264   2HD   LYS  34          2HD       LYS  34  -2.443  -3.349  -3.349
  265   1HE   LYS  34          1HE       LYS  34  -0.340  -4.572  -3.631
  266   2HE   LYS  34          2HE       LYS  34   0.056  -3.547  -5.010
  267   1HZ   LYS  34          1HZ       LYS  34  -0.491  -2.460  -2.288
  268   2HZ   LYS  34          2HZ       LYS  34   0.099  -1.615  -3.554
  269   3HZ   LYS  34          3HZ       LYS  34   1.045  -2.784  -2.834
  270    H    LYS  35           H        LYS  35  -6.276  -3.061  -7.653
  271    HA   LYS  35           HA       LYS  35  -8.586  -3.520  -6.102
  272   1HB   LYS  35          1HB       LYS  35  -8.192  -1.411  -7.219
  273   2HB   LYS  35          2HB       LYS  35  -8.176  -2.201  -8.785
  274   1HG   LYS  35          1HG       LYS  35 -10.535  -2.770  -8.510
  275   2HG   LYS  35          2HG       LYS  35 -10.540  -1.951  -6.946
  276   1HD   LYS  35          1HD       LYS  35  -9.995   0.144  -8.013
  277   2HD   LYS  35          2HD       LYS  35  -9.867  -0.678  -9.575
  278   1HE   LYS  35          1HE       LYS  35 -12.176  -1.252  -9.539
  279   2HE   LYS  35          2HE       LYS  35 -12.356  -0.630  -7.903
  280   1HZ   LYS  35          1HZ       LYS  35 -11.682   1.029 -10.288
  281   2HZ   LYS  35          2HZ       LYS  35 -11.954   1.588  -8.714
  282   3HZ   LYS  35          3HZ       LYS  35 -13.213   0.889  -9.581
  283    H    ALA  36           H        ALA  36  -7.200  -5.162  -8.797
  284    HA   ALA  36           HA       ALA  36  -9.533  -6.188  -9.931
  285   1HB   ALA  36          1HB       ALA  36  -6.740  -7.358  -9.924
  286   2HB   ALA  36          2HB       ALA  36  -7.394  -6.249 -11.126
  287   3HB   ALA  36          3HB       ALA  36  -8.049  -7.882 -10.982
  288    H    ARG  37           H        ARG  37  -7.104  -7.726  -7.900
  289    HA   ARG  37           HA       ARG  37  -8.962  -8.902  -6.098
  290   1HB   ARG  37          1HB       ARG  37  -7.594 -10.676  -8.095
  291   2HB   ARG  37          2HB       ARG  37  -7.916 -11.267  -6.480
  292   1HG   ARG  37          1HG       ARG  37  -9.996 -10.296  -8.440
  293   2HG   ARG  37          2HG       ARG  37  -9.607 -11.984  -8.106
  294   1HD   ARG  37          1HD       ARG  37 -11.551 -11.480  -6.832
  295   2HD   ARG  37          2HD       ARG  37 -10.198 -11.528  -5.706
  296    HE   ARG  37           HE       ARG  37 -11.105  -8.971  -6.789
  297   1HH1  ARG  37          1HH1      ARG  37 -10.610 -11.039  -3.966
  298   2HH1  ARG  37          2HH1      ARG  37 -11.058  -9.862  -2.823
  299   1HH2  ARG  37          1HH2      ARG  37 -11.715  -7.346  -5.236
  300   2HH2  ARG  37          2HH2      ARG  37 -11.724  -7.696  -3.571
  301    H    ARG  38           H        ARG  38  -5.732  -9.709  -7.275
  302    HA   ARG  38           HA       ARG  38  -4.538  -8.518  -4.962
  303   1HB   ARG  38          1HB       ARG  38  -3.444 -10.537  -4.116
  304   2HB   ARG  38          2HB       ARG  38  -5.191 -10.731  -4.101
  305   1HG   ARG  38          1HG       ARG  38  -5.122 -12.195  -5.963
  306   2HG   ARG  38          2HG       ARG  38  -3.385 -11.917  -6.171
  307   1HD   ARG  38          1HD       ARG  38  -3.005 -12.780  -3.906
  308   2HD   ARG  38          2HD       ARG  38  -4.724 -13.120  -3.761
  309    HE   ARG  38           HE       ARG  38  -4.339 -14.589  -5.764
  310   1HH1  ARG  38          1HH1      ARG  38  -1.701 -13.945  -3.458
  311   2HH1  ARG  38          2HH1      ARG  38  -1.084 -15.516  -3.524
  312   1HH2  ARG  38          1HH2      ARG  38  -3.435 -16.747  -5.862
  313   2HH2  ARG  38          2HH2      ARG  38  -2.086 -17.145  -4.916
  314    H    VAL  39           H        VAL  39  -2.737  -7.573  -5.644
  315    HA   VAL  39           HA       VAL  39  -1.279  -8.839  -7.820
  316    HB   VAL  39           HB       VAL  39  -2.268  -5.978  -7.877
  317   1HG1  VAL  39          1HG1      VAL  39   0.065  -6.046  -8.681
  318   2HG1  VAL  39          2HG1      VAL  39  -1.024  -5.751 -10.036
  319   3HG1  VAL  39          3HG1      VAL  39  -0.345  -7.357  -9.782
  320   1HG2  VAL  39          1HG2      VAL  39  -2.703  -8.272  -9.794
  321   2HG2  VAL  39          2HG2      VAL  39  -3.296  -6.626 -10.021
  322   3HG2  VAL  39          3HG2      VAL  39  -3.891  -7.601  -8.679
  323    H    VAL  40           H        VAL  40   0.829  -8.427  -7.879
  324    HA   VAL  40           HA       VAL  40   1.945  -6.987  -5.625
  325    HB   VAL  40           HB       VAL  40   2.560  -9.378  -5.612
  326   1HG1  VAL  40          1HG1      VAL  40   3.856 -10.397  -7.435
  327   2HG1  VAL  40          2HG1      VAL  40   3.587  -8.946  -8.404
  328   3HG1  VAL  40          3HG1      VAL  40   2.223  -9.944  -7.916
  329   1HG2  VAL  40          1HG2      VAL  40   4.283  -7.833  -4.848
  330   2HG2  VAL  40          2HG2      VAL  40   4.876  -7.663  -6.498
  331   3HG2  VAL  40          3HG2      VAL  40   5.009  -9.218  -5.672
  332    H    HIS  41           H        HIS  41   3.615  -5.459  -6.096
  333    HA   HIS  41           HA       HIS  41   4.079  -4.904  -8.925
  334   1HB   HIS  41          1HB       HIS  41   2.179  -3.544  -7.925
  335   2HB   HIS  41          2HB       HIS  41   3.349  -2.858  -6.821
  336    HD1  HIS  41           HD1      HIS  41   1.943  -2.453 -10.312
  337    HD2  HIS  41           HD2      HIS  41   5.036  -0.891  -7.969
  338    HE1  HIS  41           HE1      HIS  41   2.856  -0.510 -11.535
  339    H    ILE  42           H        ILE  42   6.198  -4.489  -9.249
  340    HA   ILE  42           HA       ILE  42   7.962  -4.647  -6.970
  341    HB   ILE  42           HB       ILE  42   8.447  -5.937  -9.077
  342   1HG1  ILE  42          1HG1      ILE  42  10.580  -3.907  -8.348
  343   2HG1  ILE  42          2HG1      ILE  42  10.267  -5.413  -7.499
  344   1HG2  ILE  42          1HG2      ILE  42   9.013  -3.234 -10.294
  345   2HG2  ILE  42          2HG2      ILE  42   7.689  -4.307 -10.729
  346   3HG2  ILE  42          3HG2      ILE  42   9.355  -4.790 -11.050
  347   1HD1  ILE  42          1HD1      ILE  42  11.242  -5.151 -10.338
  348   2HD1  ILE  42          2HD1      ILE  42  10.926  -6.667  -9.497
  349   3HD1  ILE  42          3HD1      ILE  42  12.216  -5.602  -8.939
  350    H    LYS  43           H        LYS  43   9.381  -3.042  -6.300
  351    HA   LYS  43           HA       LYS  43  10.087  -0.966  -5.815
  352   1HB   LYS  43          1HB       LYS  43   9.291  -0.219  -8.654
  353   2HB   LYS  43          2HB       LYS  43  10.266   0.770  -7.583
  354   1HG   LYS  43          1HG       LYS  43  11.984  -0.964  -7.581
  355   2HG   LYS  43          2HG       LYS  43  11.008  -1.923  -8.694
  356   1HD   LYS  43          1HD       LYS  43  11.149  -0.098 -10.346
  357   2HD   LYS  43          2HD       LYS  43  12.164   0.813  -9.225
  358   1HE   LYS  43          1HE       LYS  43  13.790  -1.054  -9.241
  359   2HE   LYS  43          2HE       LYS  43  12.794  -1.874 -10.435
  360   1HZ   LYS  43          1HZ       LYS  43  14.116   0.759 -10.822
  361   2HZ   LYS  43          2HZ       LYS  43  13.200  -0.077 -11.981
  362   3HZ   LYS  43          3HZ       LYS  43  14.644  -0.712 -11.425
  363    HA   PRO  44           HA       PRO  44   5.729   0.452  -5.210
  364   1HB   PRO  44          1HB       PRO  44   5.316  -0.228  -2.662
  365   2HB   PRO  44          2HB       PRO  44   5.171  -1.438  -3.951
  366   1HG   PRO  44          1HG       PRO  44   7.541  -0.849  -2.200
  367   2HG   PRO  44          2HG       PRO  44   6.786  -2.423  -2.484
  368   1HD   PRO  44          1HD       PRO  44   8.947  -1.668  -3.851
  369   2HD   PRO  44          2HD       PRO  44   7.645  -2.589  -4.623
  370    H    GLY  45           H        GLY  45   4.995   2.120  -3.542
  371   1HA   GLY  45          1HA       GLY  45   6.822   3.285  -1.786
  372   2HA   GLY  45          2HA       GLY  45   6.806   4.160  -3.313
  373    H    GLU  46           H        GLU  46   4.270   2.583  -1.341
  374    HA   GLU  46           HA       GLU  46   2.955   5.178  -1.328
  375   1HB   GLU  46          1HB       GLU  46   1.454   3.840  -2.453
  376   2HB   GLU  46          2HB       GLU  46   1.747   2.414  -1.471
  377   1HG   GLU  46          1HG       GLU  46  -0.440   3.227  -1.041
  378   2HG   GLU  46          2HG       GLU  46   0.546   3.617   0.362
  379    H    LYS  47           H        LYS  47   2.853   6.155   0.311
  380    HA   LYS  47           HA       LYS  47   3.485   4.827   2.808
  381   1HB   LYS  47          1HB       LYS  47   4.003   7.608   1.877
  382   2HB   LYS  47          2HB       LYS  47   4.383   6.964   3.474
  383   1HG   LYS  47          1HG       LYS  47   5.990   5.562   2.709
  384   2HG   LYS  47          2HG       LYS  47   5.359   5.560   1.061
  385   1HD   LYS  47          1HD       LYS  47   6.377   7.966   2.373
  386   2HD   LYS  47          2HD       LYS  47   7.464   6.833   1.500
  387   1HE   LYS  47          1HE       LYS  47   6.054   7.232  -0.515
  388   2HE   LYS  47          2HE       LYS  47   5.095   8.387   0.404
  389   1HZ   LYS  47          1HZ       LYS  47   6.765   9.550  -0.889
  390   2HZ   LYS  47          2HZ       LYS  47   7.948   8.584  -0.283
  391   3HZ   LYS  47          3HZ       LYS  47   7.143   9.663   0.766
  392    H    ILE  48           H        ILE  48   1.474   4.424   2.573
  393    HA   ILE  48           HA       ILE  48  -0.554   6.369   2.869
  394    HB   ILE  48           HB       ILE  48  -1.963   4.474   3.833
  395   1HG1  ILE  48          1HG1      ILE  48   0.218   2.794   2.568
  396   2HG1  ILE  48          2HG1      ILE  48  -0.179   2.858   4.277
  397   1HG2  ILE  48          1HG2      ILE  48  -1.252   4.568   0.963
  398   2HG2  ILE  48          2HG2      ILE  48  -2.557   5.389   1.819
  399   3HG2  ILE  48          3HG2      ILE  48  -2.594   3.639   1.625
  400   1HD1  ILE  48          1HD1      ILE  48  -2.355   1.857   3.809
  401   2HD1  ILE  48          2HD1      ILE  48  -1.039   0.838   3.224
  402   3HD1  ILE  48          3HD1      ILE  48  -1.969   1.820   2.090
  403    H    LEU  49           H        LEU  49  -0.282   7.661   4.426
  404    HA   LEU  49           HA       LEU  49  -0.610   8.607   6.387
  405   1HB   LEU  49          1HB       LEU  49  -1.172   5.966   7.727
  406   2HB   LEU  49          2HB       LEU  49  -1.702   7.548   8.232
  407    HG   LEU  49           HG       LEU  49  -3.655   6.809   7.455
  408   1HD1  LEU  49          1HD1      LEU  49  -2.637   7.504   4.753
  409   2HD1  LEU  49          2HD1      LEU  49  -3.160   8.633   5.986
  410   3HD1  LEU  49          3HD1      LEU  49  -4.318   7.494   5.316
  411   1HD2  LEU  49          1HD2      LEU  49  -3.899   5.036   5.639
  412   2HD2  LEU  49          2HD2      LEU  49  -3.097   4.562   7.129
  413   3HD2  LEU  49          3HD2      LEU  49  -2.138   4.922   5.706
  414    H    GLY  50           H        GLY  50   1.493   5.979   6.178
  415   1HA   GLY  50          1HA       GLY  50   3.755   6.064   6.938
  416   2HA   GLY  50          2HA       GLY  50   3.229   7.084   8.289
  417    H    ALA  51           H        ALA  51   0.847   5.057   7.872
  418    HA   ALA  51           HA       ALA  51   1.791   2.808   9.451
  419   1HB   ALA  51          1HB       ALA  51  -0.617   4.549  10.051
  420   2HB   ALA  51          2HB       ALA  51   0.826   4.411  11.052
  421   3HB   ALA  51          3HB       ALA  51  -0.249   3.024  10.854
  422    H    ARG  52           H        ARG  52   1.213   1.122   8.260
  423    HA   ARG  52           HA       ARG  52  -0.459   1.394   5.980
  424   1HB   ARG  52          1HB       ARG  52   1.500  -0.052   5.997
  425   2HB   ARG  52          2HB       ARG  52   0.792  -1.036   7.258
  426   1HG   ARG  52          1HG       ARG  52  -0.970  -1.745   5.690
  427   2HG   ARG  52          2HG       ARG  52  -0.207  -0.773   4.425
  428   1HD   ARG  52          1HD       ARG  52   0.447  -3.155   4.293
  429   2HD   ARG  52          2HD       ARG  52   1.829  -2.099   4.598
  430    HE   ARG  52           HE       ARG  52   0.657  -3.062   6.996
  431   1HH1  ARG  52          1HH1      ARG  52   2.899  -4.095   4.420
  432   2HH1  ARG  52          2HH1      ARG  52   3.767  -5.166   5.387
  433   1HH2  ARG  52          1HH2      ARG  52   1.813  -4.519   8.322
  434   2HH2  ARG  52          2HH2      ARG  52   3.146  -5.402   7.741
  435    H    ILE  53           H        ILE  53  -2.542   2.026   6.755
  436    HA   ILE  53           HA       ILE  53  -4.069  -0.160   7.944
  437    HB   ILE  53           HB       ILE  53  -4.570   2.829   8.166
  438   1HG1  ILE  53          1HG1      ILE  53  -2.611   2.235   9.522
  439   2HG1  ILE  53          2HG1      ILE  53  -3.974   2.647  10.554
  440   1HG2  ILE  53          1HG2      ILE  53  -5.959   0.499   9.491
  441   2HG2  ILE  53          2HG2      ILE  53  -6.624   1.546   8.236
  442   3HG2  ILE  53          3HG2      ILE  53  -6.279   2.197   9.836
  443   1HD1  ILE  53          1HD1      ILE  53  -2.754   0.751  11.432
  444   2HD1  ILE  53          2HD1      ILE  53  -2.984  -0.128   9.923
  445   3HD1  ILE  53          3HD1      ILE  53  -4.374   0.257  10.940
  446    H    ILE  54           H        ILE  54  -5.637  -0.841   6.577
  447    HA   ILE  54           HA       ILE  54  -6.004   0.423   3.991
  448    HB   ILE  54           HB       ILE  54  -7.590  -1.858   5.246
  449   1HG1  ILE  54          1HG1      ILE  54  -5.167  -1.998   3.426
  450   2HG1  ILE  54          2HG1      ILE  54  -5.165  -2.360   5.146
  451   1HG2  ILE  54          1HG2      ILE  54  -8.717  -0.838   3.318
  452   2HG2  ILE  54          2HG2      ILE  54  -8.170  -2.472   2.944
  453   3HG2  ILE  54          3HG2      ILE  54  -7.269  -1.083   2.337
  454   1HD1  ILE  54          1HD1      ILE  54  -5.180  -4.391   3.805
  455   2HD1  ILE  54          2HD1      ILE  54  -6.672  -3.874   3.017
  456   3HD1  ILE  54          3HD1      ILE  54  -6.669  -4.250   4.740
  457    H    GLY  55           H        GLY  55  -7.647   0.365   7.006
  458   1HA   GLY  55          1HA       GLY  55  -9.077   2.122   7.760
  459   2HA   GLY  55          2HA       GLY  55  -9.345   2.562   6.074
  460    H    ILE  56           H        ILE  56  -9.751  -0.215   5.409
  461    HA   ILE  56           HA       ILE  56 -12.540  -0.461   6.207
  462    HB   ILE  56           HB       ILE  56 -10.979  -1.983   4.093
  463   1HG1  ILE  56          1HG1      ILE  56 -12.835   0.382   3.718
  464   2HG1  ILE  56          2HG1      ILE  56 -11.086   0.404   3.533
  465   1HG2  ILE  56          1HG2      ILE  56 -13.950  -1.728   4.552
  466   2HG2  ILE  56          2HG2      ILE  56 -12.958  -3.131   4.934
  467   3HG2  ILE  56          3HG2      ILE  56 -13.180  -2.646   3.252
  468   1HD1  ILE  56          1HD1      ILE  56 -13.022  -1.170   1.847
  469   2HD1  ILE  56          2HD1      ILE  56 -11.269  -1.154   1.654
  470   3HD1  ILE  56          3HD1      ILE  56 -12.201   0.317   1.372
  471    HA   PRO  57           HA       PRO  57 -10.866  -3.645   9.007
  472   1HB   PRO  57          1HB       PRO  57 -13.710  -4.397   9.314
  473   2HB   PRO  57          2HB       PRO  57 -12.548  -3.905  10.548
  474   1HG   PRO  57          1HG       PRO  57 -14.531  -2.281   9.789
  475   2HG   PRO  57          2HG       PRO  57 -12.925  -1.651  10.196
  476   1HD   PRO  57          1HD       PRO  57 -14.142  -2.123   7.496
  477   2HD   PRO  57          2HD       PRO  57 -13.156  -0.764   8.084
  478    HA   PRO  58           HA       PRO  58 -11.589  -6.927   5.953
  479   1HB   PRO  58          1HB       PRO  58  -9.077  -7.476   5.452
  480   2HB   PRO  58          2HB       PRO  58  -9.744  -5.916   4.958
  481   1HG   PRO  58          1HG       PRO  58  -7.860  -6.534   7.175
  482   2HG   PRO  58          2HG       PRO  58  -8.027  -5.050   6.223
  483   1HD   PRO  58          1HD       PRO  58  -9.174  -5.643   8.803
  484   2HD   PRO  58          2HD       PRO  58  -9.321  -4.155   7.841
  485    H    VAL  59           H        VAL  59 -10.681  -9.188   5.865
  486    HA   VAL  59           HA       VAL  59 -10.542 -10.338   8.526
  487    HB   VAL  59           HB       VAL  59 -10.205 -11.737   5.838
  488   1HG1  VAL  59          1HG1      VAL  59 -10.882 -12.864   8.555
  489   2HG1  VAL  59          2HG1      VAL  59  -9.325 -12.991   7.743
  490   3HG1  VAL  59          3HG1      VAL  59 -10.739 -13.789   7.059
  491   1HG2  VAL  59          1HG2      VAL  59 -12.551 -12.415   6.028
  492   2HG2  VAL  59          2HG2      VAL  59 -12.402 -10.656   5.960
  493   3HG2  VAL  59          3HG2      VAL  59 -12.712 -11.461   7.499
  494    HA   PRO  60           HA       PRO  60  -6.248  -9.459   7.921
  495   1HB   PRO  60          1HB       PRO  60  -5.473  -9.321  10.467
  496   2HB   PRO  60          2HB       PRO  60  -6.503  -8.094   9.731
  497   1HG   PRO  60          1HG       PRO  60  -7.231 -10.274  11.617
  498   2HG   PRO  60          2HG       PRO  60  -7.931  -8.656  11.447
  499   1HD   PRO  60          1HD       PRO  60  -8.968 -11.065  10.385
  500   2HD   PRO  60          2HD       PRO  60  -9.492  -9.411  10.006
  501    H    ILE  61           H        ILE  61  -5.445 -11.257   6.921
  502    HA   ILE  61           HA       ILE  61  -4.143 -13.224   8.659
  503    HB   ILE  61           HB       ILE  61  -5.311 -13.715   5.877
  504   1HG1  ILE  61          1HG1      ILE  61  -6.418 -14.726   8.503
  505   2HG1  ILE  61          2HG1      ILE  61  -7.092 -13.379   7.591
  506   1HG2  ILE  61          1HG2      ILE  61  -4.875 -16.098   6.345
  507   2HG2  ILE  61          2HG2      ILE  61  -4.186 -15.658   7.907
  508   3HG2  ILE  61          3HG2      ILE  61  -3.394 -15.142   6.419
  509   1HD1  ILE  61          1HD1      ILE  61  -8.344 -15.421   7.237
  510   2HD1  ILE  61          2HD1      ILE  61  -6.886 -16.229   6.651
  511   3HD1  ILE  61          3HD1      ILE  61  -7.581 -14.885   5.741
  512    H    GLY  62           H        GLY  62  -2.016 -13.837   7.574
  513   1HA   GLY  62          1HA       GLY  62  -0.875 -13.391   5.341
  514   2HA   GLY  62          2HA       GLY  62  -1.306 -11.728   5.708
  515    H    ILE  63           H        ILE  63   1.241 -12.326   5.173
  516    HA   ILE  63           HA       ILE  63   2.571 -11.895   7.737
  517    HB   ILE  63           HB       ILE  63   3.567 -13.971   5.738
  518   1HG1  ILE  63          1HG1      ILE  63   3.500 -15.517   7.847
  519   2HG1  ILE  63          2HG1      ILE  63   2.357 -14.343   8.478
  520   1HG2  ILE  63          1HG2      ILE  63   4.861 -13.076   8.296
  521   2HG2  ILE  63          2HG2      ILE  63   5.419 -12.765   6.653
  522   3HG2  ILE  63          3HG2      ILE  63   5.406 -14.413   7.284
  523   1HD1  ILE  63          1HD1      ILE  63   0.887 -14.778   6.565
  524   2HD1  ILE  63          2HD1      ILE  63   1.214 -16.236   7.498
  525   3HD1  ILE  63          3HD1      ILE  63   2.038 -15.969   5.960
  526    H    ASP  64           H        ASP  64   3.840 -10.138   7.484
  527    HA   ASP  64           HA       ASP  64   4.628  -9.266   4.817
  528   1HB   ASP  64          1HB       ASP  64   3.944  -7.621   6.663
  529   2HB   ASP  64          2HB       ASP  64   5.372  -8.125   7.550
  530    H    GLU  65           H        GLU  65   6.213 -10.584   4.002
  531    HA   GLU  65           HA       GLU  65   7.855 -12.130   5.688
  532   1HB   GLU  65          1HB       GLU  65   8.017 -11.643   2.726
  533   2HB   GLU  65          2HB       GLU  65   9.004 -12.811   3.593
  534   1HG   GLU  65          1HG       GLU  65   6.912 -13.928   4.342
  535   2HG   GLU  65          2HG       GLU  65   6.011 -12.825   3.304
  536    H    GLU  66           H        GLU  66   8.652  -9.465   3.547
  537    HA   GLU  66           HA       GLU  66  10.532  -8.383   5.276
  538   1HB   GLU  66          1HB       GLU  66  11.670 -10.553   4.333
  539   2HB   GLU  66          2HB       GLU  66  11.730  -9.693   2.809
  540   1HG   GLU  66          1HG       GLU  66  12.877  -8.225   5.058
  541   2HG   GLU  66          2HG       GLU  66  13.697  -9.733   4.682
  542    H    ARG  67           H        ARG  67  11.705  -6.608   3.760
  543    HA   ARG  67           HA       ARG  67   9.426  -5.529   2.389
  544   1HB   ARG  67          1HB       ARG  67  10.583  -4.098   3.991
  545   2HB   ARG  67          2HB       ARG  67  12.040  -4.212   3.008
  546   1HG   ARG  67          1HG       ARG  67  10.712  -2.092   2.724
  547   2HG   ARG  67          2HG       ARG  67  11.077  -2.976   1.240
  548   1HD   ARG  67          1HD       ARG  67   8.812  -2.260   1.176
  549   2HD   ARG  67          2HD       ARG  67   8.884  -4.016   1.329
  550    HE   ARG  67           HE       ARG  67   8.173  -2.145   3.515
  551   1HH1  ARG  67          1HH1      ARG  67   7.776  -5.468   2.117
  552   2HH1  ARG  67          2HH1      ARG  67   6.692  -5.898   3.365
  553   1HH2  ARG  67          1HH2      ARG  67   6.617  -2.910   5.101
  554   2HH2  ARG  67          2HH2      ARG  67   6.053  -4.534   4.988
  555    H    SER  68           H        SER  68  12.618  -6.546   1.688
  556    HA   SER  68           HA       SER  68  12.305  -5.876  -1.107
  557   1HB   SER  68          1HB       SER  68  14.482  -5.514   0.167
  558   2HB   SER  68          2HB       SER  68  14.648  -7.269   0.245
  559    HG   SER  68           HG       SER  68  14.172  -6.068  -2.212
  560    H    THR  69           H        THR  69  10.638  -7.687   0.170
  561    HA   THR  69           HA       THR  69  10.835 -10.007  -1.547
  562    HB   THR  69           HB       THR  69  10.207 -10.194   1.434
  563    HG1  THR  69           HG1      THR  69  12.561 -10.023   0.203
  564   1HG2  THR  69          1HG2      THR  69   9.182 -11.972   0.046
  565   2HG2  THR  69          2HG2      THR  69  10.425 -12.621   1.113
  566   3HG2  THR  69          3HG2      THR  69  10.775 -12.375  -0.597
  567    H    VAL  70           H        VAL  70   8.584 -10.994  -1.569
  568    HA   VAL  70           HA       VAL  70   6.568  -8.949  -1.692
  569    HB   VAL  70           HB       VAL  70   5.047 -10.827  -2.302
  570   1HG1  VAL  70          1HG1      VAL  70   6.099 -11.343  -4.456
  571   2HG1  VAL  70          2HG1      VAL  70   7.621 -10.676  -3.854
  572   3HG1  VAL  70          3HG1      VAL  70   6.207  -9.638  -4.032
  573   1HG2  VAL  70          1HG2      VAL  70   5.974 -13.054  -2.746
  574   2HG2  VAL  70          2HG2      VAL  70   6.130 -12.632  -1.041
  575   3HG2  VAL  70          3HG2      VAL  70   7.532 -12.539  -2.103
  576    H    MET  71           H        MET  71   5.423  -8.276  -0.192
  577    HA   MET  71           HA       MET  71   5.247  -9.802   2.272
  578   1HB   MET  71          1HB       MET  71   4.066  -7.922   3.244
  579   2HB   MET  71          2HB       MET  71   5.423  -7.267   2.350
  580   1HG   MET  71          1HG       MET  71   3.922  -6.632   0.521
  581   2HG   MET  71          2HG       MET  71   2.562  -7.342   1.376
  582   1HE   MET  71          1HE       MET  71   1.642  -3.585   1.681
  583   2HE   MET  71          2HE       MET  71   1.070  -5.207   1.293
  584   3HE   MET  71          3HE       MET  71   2.298  -4.443   0.287
  585    H    ILE  72           H        ILE  72   3.456 -11.069   2.777
  586    HA   ILE  72           HA       ILE  72   1.413 -10.950   0.724
  587    HB   ILE  72           HB       ILE  72   2.659 -12.966   0.373
  588   1HG1  ILE  72          1HG1      ILE  72   0.903 -14.733   0.647
  589   2HG1  ILE  72          2HG1      ILE  72  -0.003 -13.618   1.660
  590   1HG2  ILE  72          1HG2      ILE  72   3.728 -13.295   2.473
  591   2HG2  ILE  72          2HG2      ILE  72   2.885 -14.774   2.011
  592   3HG2  ILE  72          3HG2      ILE  72   2.195 -13.711   3.237
  593   1HD1  ILE  72          1HD1      ILE  72  -0.237 -12.089  -0.227
  594   2HD1  ILE  72          2HD1      ILE  72  -0.877 -13.687  -0.609
  595   3HD1  ILE  72          3HD1      ILE  72   0.694 -13.193  -1.239
  596    HA   PRO  73           HA       PRO  73  -0.864 -10.394   4.510
  597   1HB   PRO  73          1HB       PRO  73  -2.079  -8.025   3.668
  598   2HB   PRO  73          2HB       PRO  73  -0.670  -8.163   4.732
  599   1HG   PRO  73          1HG       PRO  73  -0.691  -7.078   2.110
  600   2HG   PRO  73          2HG       PRO  73   0.730  -7.437   3.103
  601   1HD   PRO  73          1HD       PRO  73  -0.525  -9.058   0.938
  602   2HD   PRO  73          2HD       PRO  73   1.181  -8.938   1.419
  603    H    TYR  74           H        TYR  74  -2.360 -11.889   4.240
  604    HA   TYR  74           HA       TYR  74  -4.055 -11.996   1.890
  605   1HB   TYR  74          1HB       TYR  74  -2.866 -13.998   2.933
  606   2HB   TYR  74          2HB       TYR  74  -3.985 -13.817   4.279
  607    HD1  TYR  74           HD1      TYR  74  -5.960 -15.025   4.260
  608    HD2  TYR  74           HD2      TYR  74  -4.001 -14.274   0.564
  609    HE1  TYR  74           HE1      TYR  74  -7.584 -16.449   3.124
  610    HE2  TYR  74           HE2      TYR  74  -5.630 -15.709  -0.595
  611    HH   TYR  74           HH       TYR  74  -7.131 -17.518  -0.081
  612    H    THR  75           H        THR  75  -4.598  -9.844   2.986
  613    HA   THR  75           HA       THR  75  -6.540 -10.145   5.025
  614    HB   THR  75           HB       THR  75  -6.625  -7.631   4.856
  615    HG1  THR  75           HG1      THR  75  -5.641  -7.945   2.569
  616   1HG2  THR  75          1HG2      THR  75  -4.401  -7.269   5.851
  617   2HG2  THR  75          2HG2      THR  75  -3.883  -8.844   5.253
  618   3HG2  THR  75          3HG2      THR  75  -5.140  -8.742   6.480
  619    H    LYS  76           H        LYS  76  -8.662 -10.217   4.515
  620    HA   LYS  76           HA       LYS  76  -9.443  -9.870   1.704
  621   1HB   LYS  76          1HB       LYS  76 -11.036 -11.050   3.998
  622   2HB   LYS  76          2HB       LYS  76 -11.503 -11.045   2.314
  623   1HG   LYS  76          1HG       LYS  76  -9.667 -12.557   1.776
  624   2HG   LYS  76          2HG       LYS  76  -9.149 -12.537   3.465
  625   1HD   LYS  76          1HD       LYS  76 -11.316 -13.467   4.143
  626   2HD   LYS  76          2HD       LYS  76 -11.832 -13.483   2.459
  627   1HE   LYS  76          1HE       LYS  76 -10.026 -15.067   1.937
  628   2HE   LYS  76          2HE       LYS  76  -9.539 -15.052   3.630
  629   1HZ   LYS  76          1HZ       LYS  76 -11.679 -16.006   4.232
  630   2HZ   LYS  76          2HZ       LYS  76 -10.953 -16.982   3.079
  631   3HZ   LYS  76          3HZ       LYS  76 -12.197 -15.959   2.638
  632    HA   PRO  77           HA       PRO  77 -11.495  -6.203   3.498
  633   1HB   PRO  77          1HB       PRO  77 -10.412  -4.361   1.864
  634   2HB   PRO  77          2HB       PRO  77  -9.509  -5.013   3.229
  635   1HG   PRO  77          1HG       PRO  77  -9.058  -5.415   0.376
  636   2HG   PRO  77          2HG       PRO  77  -8.011  -5.846   1.735
  637   1HD   PRO  77          1HD       PRO  77  -9.906  -7.532   0.234
  638   2HD   PRO  77          2HD       PRO  77  -8.578  -8.012   1.315
  639    H    CYS  78           H        CYS  78 -12.429  -4.209   1.998
  640    HA   CYS  78           HA       CYS  78 -14.164  -5.464   0.029
  641   1HB   CYS  78          1HB       CYS  78 -15.174  -4.077   1.828
  642   2HB   CYS  78          2HB       CYS  78 -14.250  -2.691   1.276
  643    HG   CYS  78           HG       CYS  78 -15.545  -2.584  -1.196
  644    H    TYR  79           H        TYR  79 -11.208  -4.484  -0.186
  645    HA   TYR  79           HA       TYR  79 -11.618  -2.992  -2.675
  646   1HB   TYR  79          1HB       TYR  79 -10.516  -1.603  -0.934
  647   2HB   TYR  79          2HB       TYR  79  -9.218  -2.782  -0.824
  648    HD1  TYR  79           HD1      TYR  79 -10.903  -0.500  -3.235
  649    HD2  TYR  79           HD2      TYR  79  -7.313  -2.520  -2.176
  650    HE1  TYR  79           HE1      TYR  79  -9.705   0.722  -4.995
  651    HE2  TYR  79           HE2      TYR  79  -6.105  -1.304  -3.940
  652    HH   TYR  79           HH       TYR  79  -6.631  -0.170  -6.052
  653    H    GLY  80           H        GLY  80  -8.651  -4.574  -1.401
  654   1HA   GLY  80          1HA       GLY  80  -8.848  -6.882  -2.960
  655   2HA   GLY  80          2HA       GLY  80  -7.908  -5.660  -3.818
  656    H    THR  81           H        THR  81  -6.493  -7.755  -3.256
  657    HA   THR  81           HA       THR  81  -5.176  -7.409  -0.679
  658    HB   THR  81           HB       THR  81  -4.773  -9.484  -2.809
  659    HG1  THR  81           HG1      THR  81  -6.514  -9.412  -0.563
  660   1HG2  THR  81          1HG2      THR  81  -2.890  -9.311  -1.267
  661   2HG2  THR  81          2HG2      THR  81  -3.749 -10.828  -1.006
  662   3HG2  THR  81          3HG2      THR  81  -3.980  -9.483   0.108
  663    H    ALA  82           H        ALA  82  -3.201  -6.727  -0.452
  664    HA   ALA  82           HA       ALA  82  -1.985  -5.568  -2.831
  665   1HB   ALA  82          1HB       ALA  82  -1.874  -4.666   0.032
  666   2HB   ALA  82          2HB       ALA  82  -2.872  -3.969  -1.244
  667   3HB   ALA  82          3HB       ALA  82  -1.111  -3.866  -1.341
  668    H    VAL  83           H        VAL  83  -0.252  -6.739  -3.426
  669    HA   VAL  83           HA       VAL  83   1.652  -7.657  -1.359
  670    HB   VAL  83           HB       VAL  83   1.300  -8.672  -4.204
  671   1HG1  VAL  83          1HG1      VAL  83   2.801  -9.842  -1.864
  672   2HG1  VAL  83          2HG1      VAL  83   3.521  -9.035  -3.255
  673   3HG1  VAL  83          3HG1      VAL  83   2.672 -10.568  -3.464
  674   1HG2  VAL  83          1HG2      VAL  83   0.249  -9.944  -1.676
  675   2HG2  VAL  83          2HG2      VAL  83   0.227 -10.683  -3.278
  676   3HG2  VAL  83          3HG2      VAL  83  -0.720  -9.229  -2.966
  677    H    VAL  84           H        VAL  84   3.684  -6.792  -1.536
  678    HA   VAL  84           HA       VAL  84   4.329  -5.272  -3.952
  679    HB   VAL  84           HB       VAL  84   5.097  -3.288  -2.734
  680   1HG1  VAL  84          1HG1      VAL  84   2.403  -4.017  -1.766
  681   2HG1  VAL  84          2HG1      VAL  84   2.844  -3.193  -3.261
  682   3HG1  VAL  84          3HG1      VAL  84   3.134  -2.414  -1.706
  683   1HG2  VAL  84          1HG2      VAL  84   6.027  -4.407  -0.743
  684   2HG2  VAL  84          2HG2      VAL  84   4.392  -4.712  -0.159
  685   3HG2  VAL  84          3HG2      VAL  84   4.979  -3.057  -0.307
  686    H    GLU  85           H        GLU  85   6.582  -5.105  -4.326
  687    HA   GLU  85           HA       GLU  85   8.324  -6.517  -2.470
  688   1HB   GLU  85          1HB       GLU  85   7.569  -8.134  -4.233
  689   2HB   GLU  85          2HB       GLU  85   8.276  -7.066  -5.442
  690   1HG   GLU  85          1HG       GLU  85  10.455  -7.326  -4.206
  691   2HG   GLU  85          2HG       GLU  85   9.676  -8.609  -3.288
  692    H    LEU  86           H        LEU  86  10.034  -5.252  -2.157
  693    HA   LEU  86           HA       LEU  86  10.490  -3.110  -4.078
  694   1HB   LEU  86          1HB       LEU  86   9.969  -2.582  -1.712
  695   2HB   LEU  86          2HB       LEU  86  11.416  -3.436  -1.227
  696    HG   LEU  86           HG       LEU  86  12.684  -1.754  -2.639
  697   1HD1  LEU  86          1HD1      LEU  86  10.078  -0.291  -2.522
  698   2HD1  LEU  86          2HD1      LEU  86  10.934  -0.864  -3.961
  699   3HD1  LEU  86          3HD1      LEU  86  11.631   0.413  -2.970
  700   1HD2  LEU  86          1HD2      LEU  86  11.200  -0.836  -0.184
  701   2HD2  LEU  86          2HD2      LEU  86  12.648  -0.080  -0.845
  702   3HD2  LEU  86          3HD2      LEU  86  12.724  -1.725  -0.215
  703    HA   PRO  87           HA       PRO  87  14.458  -5.322  -4.843
  704   1HB   PRO  87          1HB       PRO  87  15.361  -3.115  -6.464
  705   2HB   PRO  87          2HB       PRO  87  14.777  -4.687  -7.001
  706   1HG   PRO  87          1HG       PRO  87  13.441  -2.380  -7.465
  707   2HG   PRO  87          2HG       PRO  87  12.639  -3.948  -7.287
  708   1HD   PRO  87          1HD       PRO  87  12.972  -1.762  -5.254
  709   2HD   PRO  87          2HD       PRO  87  11.530  -2.724  -5.661
  710    H    VAL  88           H        VAL  88  14.035  -2.644  -3.090
  711    HA   VAL  88           HA       VAL  88  16.885  -2.075  -2.684
  712    HB   VAL  88           HB       VAL  88  14.604  -0.540  -1.457
  713   1HG1  VAL  88          1HG1      VAL  88  16.175   1.309  -1.336
  714   2HG1  VAL  88          2HG1      VAL  88  17.413   0.296  -2.077
  715   3HG1  VAL  88          3HG1      VAL  88  16.756  -0.128  -0.493
  716   1HG2  VAL  88          1HG2      VAL  88  15.837   0.054  -4.152
  717   2HG2  VAL  88          2HG2      VAL  88  14.711   1.109  -3.294
  718   3HG2  VAL  88          3HG2      VAL  88  14.181  -0.474  -3.860
  719    H    ASP  89           H        ASP  89  17.634  -2.126  -0.568
  720    HA   ASP  89           HA       ASP  89  16.839  -4.307   0.992
  721   1HB   ASP  89          1HB       ASP  89  19.127  -3.319   0.872
  722   2HB   ASP  89          2HB       ASP  89  18.554  -1.939   1.787
  723    HA   PRO  90           HA       PRO  90  13.401  -2.907   3.483
  724   1HB   PRO  90          1HB       PRO  90  14.276  -3.923   5.947
  725   2HB   PRO  90          2HB       PRO  90  13.300  -4.780   4.751
  726   1HG   PRO  90          1HG       PRO  90  16.249  -4.866   5.202
  727   2HG   PRO  90          2HG       PRO  90  15.140  -6.180   4.770
  728   1HD   PRO  90          1HD       PRO  90  16.725  -5.120   2.942
  729   2HD   PRO  90          2HD       PRO  90  15.041  -5.516   2.530
  730    H    GLU  91           H        GLU  91  16.652  -2.013   4.348
  731    HA   GLU  91           HA       GLU  91  16.159  -0.274   6.508
  732   1HB   GLU  91          1HB       GLU  91  18.251   0.839   5.896
  733   2HB   GLU  91          2HB       GLU  91  18.422  -0.908   5.837
  734   1HG   GLU  91          1HG       GLU  91  18.403  -0.940   3.497
  735   2HG   GLU  91          2HG       GLU  91  17.822   0.712   3.379
  736    H    GLU  92           H        GLU  92  15.366  -0.014   3.201
  737    HA   GLU  92           HA       GLU  92  15.214   2.738   2.750
  738   1HB   GLU  92          1HB       GLU  92  15.026   0.995   1.005
  739   2HB   GLU  92          2HB       GLU  92  13.497   0.486   1.679
  740   1HG   GLU  92          1HG       GLU  92  13.111   1.772  -0.324
  741   2HG   GLU  92          2HG       GLU  92  12.531   2.677   1.065
  742    H    ILE  93           H        ILE  93  13.185   0.559   4.601
  743    HA   ILE  93           HA       ILE  93  10.816   2.053   4.630
  744    HB   ILE  93           HB       ILE  93  11.899   0.139   6.721
  745   1HG1  ILE  93          1HG1      ILE  93   9.816  -0.219   4.551
  746   2HG1  ILE  93          2HG1      ILE  93  11.452  -0.865   4.529
  747   1HG2  ILE  93          1HG2      ILE  93   9.607   0.019   7.622
  748   2HG2  ILE  93          2HG2      ILE  93   9.109   1.294   6.510
  749   3HG2  ILE  93          3HG2      ILE  93  10.282   1.643   7.779
  750   1HD1  ILE  93          1HD1      ILE  93  10.935  -2.281   6.428
  751   2HD1  ILE  93          2HD1      ILE  93   9.780  -2.555   5.118
  752   3HD1  ILE  93          3HD1      ILE  93   9.316  -1.593   6.518
  753    H    GLU  94           H        GLU  94  13.721   2.313   6.604
  754    HA   GLU  94           HA       GLU  94  12.596   4.114   8.515
  755   1HB   GLU  94          1HB       GLU  94  15.474   3.847   7.700
  756   2HB   GLU  94          2HB       GLU  94  14.886   4.621   9.162
  757   1HG   GLU  94          1HG       GLU  94  13.908   2.420   9.812
  758   2HG   GLU  94          2HG       GLU  94  14.781   1.715   8.450
  759    H    ARG  95           H        ARG  95  14.141   4.506   5.461
  760    HA   ARG  95           HA       ARG  95  14.426   7.351   5.482
  761   1HB   ARG  95          1HB       ARG  95  15.685   5.820   4.005
  762   2HB   ARG  95          2HB       ARG  95  14.186   5.354   3.232
  763   1HG   ARG  95          1HG       ARG  95  13.940   7.720   2.469
  764   2HG   ARG  95          2HG       ARG  95  15.573   8.015   3.089
  765   1HD   ARG  95          1HD       ARG  95  16.389   6.147   1.727
  766   2HD   ARG  95          2HD       ARG  95  14.770   5.956   1.078
  767    HE   ARG  95           HE       ARG  95  15.954   8.563   0.712
  768   1HH1  ARG  95          1HH1      ARG  95  15.209   5.414  -0.712
  769   2HH1  ARG  95          2HH1      ARG  95  15.704   5.821  -2.284
  770   1HH2  ARG  95          1HH2      ARG  95  16.566   9.185  -1.475
  771   2HH2  ARG  95          2HH2      ARG  95  16.481   8.047  -2.733
  772    H    ILE  96           H        ILE  96  12.154   5.014   4.227
  773    HA   ILE  96           HA       ILE  96  10.320   6.783   3.073
  774    HB   ILE  96           HB       ILE  96  10.443   3.979   3.872
  775   1HG1  ILE  96          1HG1      ILE  96  11.547   4.525   1.842
  776   2HG1  ILE  96          2HG1      ILE  96  10.177   3.490   1.463
  777   1HG2  ILE  96          1HG2      ILE  96   8.211   3.435   2.887
  778   2HG2  ILE  96          2HG2      ILE  96   7.915   5.168   2.746
  779   3HG2  ILE  96          3HG2      ILE  96   8.100   4.436   4.341
  780   1HD1  ILE  96          1HD1      ILE  96  10.384   5.233  -0.170
  781   2HD1  ILE  96          2HD1      ILE  96  10.345   6.475   1.074
  782   3HD1  ILE  96          3HD1      ILE  96   8.915   5.482   0.765
  783    H    LEU  97           H        LEU  97  10.802   5.740   6.330
  784    HA   LEU  97           HA       LEU  97   8.225   6.437   7.300
  785   1HB   LEU  97          1HB       LEU  97   9.733   4.892   8.487
  786   2HB   LEU  97          2HB       LEU  97  10.855   6.203   8.770
  787    HG   LEU  97           HG       LEU  97   9.177   7.323  10.187
  788   1HD1  LEU  97          1HD1      LEU  97   7.545   4.835   9.714
  789   2HD1  LEU  97          2HD1      LEU  97   7.142   6.473   9.188
  790   3HD1  LEU  97          3HD1      LEU  97   7.190   6.083  10.906
  791   1HD2  LEU  97          1HD2      LEU  97   9.297   5.752  12.064
  792   2HD2  LEU  97          2HD2      LEU  97  10.834   5.866  11.208
  793   3HD2  LEU  97          3HD2      LEU  97   9.785   4.471  10.954
  794    H    GLU  98           H        GLU  98  11.185   8.148   6.736
  795    HA   GLU  98           HA       GLU  98  10.430  10.571   8.119
  796   1HB   GLU  98          1HB       GLU  98  12.810   9.856   7.634
  797   2HB   GLU  98          2HB       GLU  98  12.469  10.135   5.937
  798   1HG   GLU  98          1HG       GLU  98  11.899  12.508   6.550
  799   2HG   GLU  98          2HG       GLU  98  12.580  12.168   8.138
  800    H    VAL  99           H        VAL  99  10.526   9.280   4.924
  801    HA   VAL  99           HA       VAL  99   9.426  11.626   3.643
  802    HB   VAL  99           HB       VAL  99  10.211   8.908   2.514
  803   1HG1  VAL  99          1HG1      VAL  99  10.465  10.119   0.360
  804   2HG1  VAL  99          2HG1      VAL  99   9.899  11.601   1.131
  805   3HG1  VAL  99          3HG1      VAL  99   8.809  10.227   0.956
  806   1HG2  VAL  99          1HG2      VAL  99  11.843  11.431   2.745
  807   2HG2  VAL  99          2HG2      VAL  99  12.332   9.982   1.865
  808   3HG2  VAL  99          3HG2      VAL  99  12.101   9.918   3.613
  809    H    ALA 100           H        ALA 100   7.971   9.678   5.552
  810    HA   ALA 100           HA       ALA 100   6.000   8.198   4.163
  811   1HB   ALA 100          1HB       ALA 100   6.656   7.705   6.457
  812   2HB   ALA 100          2HB       ALA 100   4.914   7.943   6.307
  813   3HB   ALA 100          3HB       ALA 100   5.923   9.219   6.987
  814    H    GLU 101           H        GLU 101   6.129  11.458   5.265
  815    HA   GLU 101           HA       GLU 101   3.454  11.802   4.230
  816   1HB   GLU 101          1HB       GLU 101   4.548  12.962   6.792
  817   2HB   GLU 101          2HB       GLU 101   3.026  13.449   6.070
  818   1HG   GLU 101          1HG       GLU 101   2.164  11.177   6.358
  819   2HG   GLU 101          2HG       GLU 101   3.707  10.679   7.048
  820    HA   PRO 102           HA       PRO 102   6.148  14.948   2.274
  821   1HB   PRO 102          1HB       PRO 102   4.255  14.656   0.048
  822   2HB   PRO 102          2HB       PRO 102   5.995  14.348   0.066
  823   1HG   PRO 102          1HG       PRO 102   4.263  12.300  -0.112
  824   2HG   PRO 102          2HG       PRO 102   5.737  12.181   0.878
  825   1HD   PRO 102          1HD       PRO 102   2.958  12.872   1.769
  826   2HD   PRO 102          2HD       PRO 102   4.055  11.599   2.372
  Start of MODEL   11
    1    H    HIS   1           H        HIS   1   2.871   9.189 -11.942
    2    HA   HIS   1           HA       HIS   1   1.969   7.165 -11.318
    3   1HB   HIS   1          1HB       HIS   1   4.814   6.146 -11.439
    4   2HB   HIS   1          2HB       HIS   1   3.544   5.314 -10.556
    5    HD1  HIS   1           HD1      HIS   1   5.229   4.763 -13.520
    6    HD2  HIS   1           HD2      HIS   1   1.185   5.178 -12.634
    7    HE1  HIS   1           HE1      HIS   1   3.992   3.658 -15.387
    8    H    MET   2           H        MET   2   1.286   8.222  -9.635
    9    HA   MET   2           HA       MET   2   2.287   7.718  -7.143
   10   1HB   MET   2          1HB       MET   2   2.873   9.942  -6.330
   11   2HB   MET   2          2HB       MET   2   4.031   9.378  -7.528
   12   1HG   MET   2          1HG       MET   2   2.977  10.828  -9.196
   13   2HG   MET   2          2HG       MET   2   1.813  11.373  -7.987
   14   1HE   MET   2          1HE       MET   2   3.450  13.462  -9.646
   15   2HE   MET   2          2HE       MET   2   3.939  14.573  -8.361
   16   3HE   MET   2          3HE       MET   2   2.327  13.867  -8.348
   17    H    THR   3           H        THR   3   0.700   7.924  -5.772
   18    HA   THR   3           HA       THR   3  -1.543   9.598  -6.563
   19    HB   THR   3           HB       THR   3  -1.696   6.752  -5.590
   20    HG1  THR   3           HG1      THR   3  -2.149   8.058  -8.051
   21   1HG2  THR   3          1HG2      THR   3  -3.948   8.632  -6.367
   22   2HG2  THR   3          2HG2      THR   3  -3.576   8.123  -4.723
   23   3HG2  THR   3          3HG2      THR   3  -4.136   6.940  -5.906
   24    H    PHE   4           H        PHE   4  -2.095  10.929  -5.016
   25    HA   PHE   4           HA       PHE   4  -1.446  10.278  -2.225
   26   1HB   PHE   4          1HB       PHE   4  -1.564  13.013  -3.539
   27   2HB   PHE   4          2HB       PHE   4  -1.175  12.701  -1.843
   28    HD1  PHE   4           HD1      PHE   4   0.033  12.610  -5.262
   29    HD2  PHE   4           HD2      PHE   4   0.904  11.584  -1.236
   30    HE1  PHE   4           HE1      PHE   4   2.358  12.168  -5.875
   31    HE2  PHE   4           HE2      PHE   4   3.237  11.149  -1.849
   32    HZ   PHE   4           HZ       PHE   4   3.952  11.409  -4.175
   33    H    CYS   5           H        CYS   5  -3.877  10.705  -4.424
   34    HA   CYS   5           HA       CYS   5  -5.852  11.868  -2.652
   35   1HB   CYS   5          1HB       CYS   5  -6.053  10.614  -5.378
   36   2HB   CYS   5          2HB       CYS   5  -7.342  11.472  -4.539
   37    HG   CYS   5           HG       CYS   5  -4.754  13.427  -4.585
   38    H    LEU   6           H        LEU   6  -6.168  10.809  -0.999
   39    HA   LEU   6           HA       LEU   6  -6.700   8.008  -1.238
   40   1HB   LEU   6          1HB       LEU   6  -6.896   7.912   1.249
   41   2HB   LEU   6          2HB       LEU   6  -5.347   8.465   0.707
   42    HG   LEU   6           HG       LEU   6  -5.885   9.606   2.673
   43   1HD1  LEU   6          1HD1      LEU   6  -6.330  11.563   0.473
   44   2HD1  LEU   6          2HD1      LEU   6  -4.780  10.983   1.073
   45   3HD1  LEU   6          3HD1      LEU   6  -5.837  11.929   2.124
   46   1HD2  LEU   6          1HD2      LEU   6  -7.889  11.067   2.931
   47   2HD2  LEU   6          2HD2      LEU   6  -8.241   9.337   2.870
   48   3HD2  LEU   6          3HD2      LEU   6  -8.531  10.348   1.456
   49    H    GLU   7           H        GLU   7  -8.452  10.936  -0.675
   50    HA   GLU   7           HA       GLU   7 -10.839   9.643   0.149
   51   1HB   GLU   7          1HB       GLU   7 -10.559  11.775   0.958
   52   2HB   GLU   7          2HB       GLU   7 -10.048  12.459  -0.550
   53   1HG   GLU   7          1HG       GLU   7 -12.396  12.321  -1.335
   54   2HG   GLU   7          2HG       GLU   7 -12.840  11.613   0.218
   55    H    THR   8           H        THR   8  -9.375   9.797  -2.784
   56    HA   THR   8           HA       THR   8 -11.645   9.882  -4.456
   57    HB   THR   8           HB       THR   8  -8.884   8.757  -5.028
   58    HG1  THR   8           HG1      THR   8  -9.896  11.311  -4.733
   59   1HG2  THR   8          1HG2      THR   8 -11.003   9.878  -6.882
   60   2HG2  THR   8          2HG2      THR   8 -10.576   8.175  -6.728
   61   3HG2  THR   8          3HG2      THR   8  -9.400   9.325  -7.365
   62    H    TYR   9           H        TYR   9 -10.252   7.597  -2.354
   63    HA   TYR   9           HA       TYR   9 -10.727   5.174  -3.684
   64   1HB   TYR   9          1HB       TYR   9 -10.668   4.041  -1.474
   65   2HB   TYR   9          2HB       TYR   9  -9.325   5.130  -1.696
   66    HD1  TYR   9           HD1      TYR   9  -8.770   5.243   0.641
   67    HD2  TYR   9           HD2      TYR   9 -12.687   6.320  -0.545
   68    HE1  TYR   9           HE1      TYR   9  -9.199   6.229   2.863
   69    HE2  TYR   9           HE2      TYR   9 -13.105   7.292   1.650
   70    HH   TYR   9           HH       TYR   9 -12.293   7.093   3.888
   71    H    LEU  10           H        LEU  10 -12.853   7.323  -2.124
   72    HA   LEU  10           HA       LEU  10 -14.826   5.467  -1.560
   73   1HB   LEU  10          1HB       LEU  10 -14.507   7.702  -0.457
   74   2HB   LEU  10          2HB       LEU  10 -15.158   8.450  -1.889
   75    HG   LEU  10           HG       LEU  10 -16.738   6.538  -0.162
   76   1HD1  LEU  10          1HD1      LEU  10 -16.072   8.460   1.163
   77   2HD1  LEU  10          2HD1      LEU  10 -17.796   8.528   0.796
   78   3HD1  LEU  10          3HD1      LEU  10 -16.662   9.546  -0.094
   79   1HD2  LEU  10          1HD2      LEU  10 -17.609   8.576  -2.219
   80   2HD2  LEU  10          2HD2      LEU  10 -18.687   7.579  -1.246
   81   3HD2  LEU  10          3HD2      LEU  10 -17.622   6.826  -2.432
   82    H    GLN  11           H        GLN  11 -14.057   7.565  -4.183
   83    HA   GLN  11           HA       GLN  11 -16.461   7.226  -5.678
   84   1HB   GLN  11          1HB       GLN  11 -13.788   8.479  -6.320
   85   2HB   GLN  11          2HB       GLN  11 -15.078   8.372  -7.498
   86   1HG   GLN  11          1HG       GLN  11 -15.008  10.584  -6.519
   87   2HG   GLN  11          2HG       GLN  11 -16.496   9.774  -6.062
   88   1HE2  GLN  11          1HE2      GLN  11 -13.434  11.018  -4.936
   89   2HE2  GLN  11          2HE2      GLN  11 -13.809  10.915  -3.267
   90    H    GLN  12           H        GLN  12 -14.010   5.200  -5.030
   91    HA   GLN  12           HA       GLN  12 -14.238   3.896  -7.618
   92   1HB   GLN  12          1HB       GLN  12 -11.852   4.062  -5.820
   93   2HB   GLN  12          2HB       GLN  12 -11.989   2.829  -7.066
   94   1HG   GLN  12          1HG       GLN  12 -12.133   5.796  -7.561
   95   2HG   GLN  12          2HG       GLN  12 -10.690   4.806  -7.783
   96   1HE2  GLN  12          1HE2      GLN  12 -13.895   5.517  -9.007
   97   2HE2  GLN  12          2HE2      GLN  12 -13.683   4.763 -10.530
   98    H    SER  13           H        SER  13 -14.471   3.365  -4.110
   99    HA   SER  13           HA       SER  13 -15.754   0.869  -4.651
  100   1HB   SER  13          1HB       SER  13 -13.339   0.228  -4.859
  101   2HB   SER  13          2HB       SER  13 -13.082   0.785  -3.210
  102    HG   SER  13           HG       SER  13 -13.811  -1.578  -4.014
  103    H    GLY  14           H        GLY  14 -13.973   2.637  -2.167
  104   1HA   GLY  14          1HA       GLY  14 -15.923   3.460  -0.541
  105   2HA   GLY  14          2HA       GLY  14 -15.661   1.775  -0.051
  106    H    GLU  15           H        GLU  15 -14.678   2.498   1.950
  107    HA   GLU  15           HA       GLU  15 -12.369   4.097   1.556
  108   1HB   GLU  15          1HB       GLU  15 -13.268   2.796   4.158
  109   2HB   GLU  15          2HB       GLU  15 -11.970   3.956   3.994
  110   1HG   GLU  15          1HG       GLU  15 -13.741   5.203   4.815
  111   2HG   GLU  15          2HG       GLU  15 -13.745   5.551   3.092
  112    H    TYR  16           H        TYR  16 -10.261   3.497   1.609
  113    HA   TYR  16           HA       TYR  16  -9.602   0.708   2.124
  114   1HB   TYR  16          1HB       TYR  16 -10.073   0.914  -0.295
  115   2HB   TYR  16          2HB       TYR  16  -8.856   2.172  -0.425
  116    HD1  TYR  16           HD1      TYR  16  -6.925   1.445  -1.485
  117    HD2  TYR  16           HD2      TYR  16  -9.009  -1.256   1.055
  118    HE1  TYR  16           HE1      TYR  16  -5.212  -0.271  -1.905
  119    HE2  TYR  16           HE2      TYR  16  -7.313  -2.967   0.641
  120    HH   TYR  16           HH       TYR  16  -5.658  -3.527  -1.009
  121    H    GLU  17           H        GLU  17  -9.095   3.733   2.954
  122    HA   GLU  17           HA       GLU  17  -6.325   3.474   3.682
  123   1HB   GLU  17          1HB       GLU  17  -7.374   5.890   2.151
  124   2HB   GLU  17          2HB       GLU  17  -5.759   5.694   2.756
  125   1HG   GLU  17          1HG       GLU  17  -6.916   3.955   0.591
  126   2HG   GLU  17          2HG       GLU  17  -6.121   5.488   0.262
  127    H    ILE  18           H        ILE  18  -5.996   5.654   5.046
  128    HA   ILE  18           HA       ILE  18  -8.553   6.337   6.210
  129    HB   ILE  18           HB       ILE  18  -7.202   5.276   7.945
  130   1HG1  ILE  18          1HG1      ILE  18  -7.309   8.254   8.470
  131   2HG1  ILE  18          2HG1      ILE  18  -8.618   7.111   8.726
  132   1HG2  ILE  18          1HG2      ILE  18  -5.079   7.275   7.307
  133   2HG2  ILE  18          2HG2      ILE  18  -4.997   5.498   7.213
  134   3HG2  ILE  18          3HG2      ILE  18  -5.104   6.303   8.769
  135   1HD1  ILE  18          1HD1      ILE  18  -5.989   7.153  10.193
  136   2HD1  ILE  18          2HD1      ILE  18  -7.298   6.003  10.465
  137   3HD1  ILE  18          3HD1      ILE  18  -7.539   7.715  10.818
  138    H    HIS  19           H        HIS  19  -8.768   8.695   6.874
  139    HA   HIS  19           HA       HIS  19  -7.896  10.367   4.749
  140   1HB   HIS  19          1HB       HIS  19 -10.102  10.575   6.037
  141   2HB   HIS  19          2HB       HIS  19  -9.165  11.286   7.341
  142    HD1  HIS  19           HD1      HIS  19 -11.114  12.252   4.467
  143    HD2  HIS  19           HD2      HIS  19  -7.714  13.718   6.360
  144    HE1  HIS  19           HE1      HIS  19 -10.860  14.626   3.717
  145    H    MET  20           H        MET  20  -5.801   9.842   5.137
  146    HA   MET  20           HA       MET  20  -4.295  11.773   6.765
  147   1HB   MET  20          1HB       MET  20  -3.930   8.805   6.548
  148   2HB   MET  20          2HB       MET  20  -2.569   9.814   7.016
  149   1HG   MET  20          1HG       MET  20  -5.199   9.481   8.452
  150   2HG   MET  20          2HG       MET  20  -3.656   8.777   8.924
  151   1HE   MET  20          1HE       MET  20  -5.464  10.376  10.937
  152   2HE   MET  20          2HE       MET  20  -4.243  11.360  11.751
  153   3HE   MET  20          3HE       MET  20  -3.896   9.682  11.343
  154    H    LYS  21           H        LYS  21  -1.768  11.117   5.849
  155    HA   LYS  21           HA       LYS  21  -1.952  11.845   3.061
  156   1HB   LYS  21          1HB       LYS  21   0.271  11.691   5.035
  157   2HB   LYS  21          2HB       LYS  21   0.618  11.768   3.318
  158   1HG   LYS  21          1HG       LYS  21  -1.064  13.771   4.767
  159   2HG   LYS  21          2HG       LYS  21   0.686  13.925   4.518
  160   1HD   LYS  21          1HD       LYS  21   0.275  13.725   2.065
  161   2HD   LYS  21          2HD       LYS  21  -1.457  13.786   2.398
  162   1HE   LYS  21          1HE       LYS  21  -0.543  15.971   1.745
  163   2HE   LYS  21          2HE       LYS  21  -1.228  15.992   3.367
  164   1HZ   LYS  21          1HZ       LYS  21   0.993  15.868   4.294
  165   2HZ   LYS  21          2HZ       LYS  21   0.953  17.133   3.180
  166   3HZ   LYS  21          3HZ       LYS  21   1.672  15.678   2.766
  167    H    ARG  22           H        ARG  22  -2.155  10.336   1.605
  168    HA   ARG  22           HA       ARG  22  -0.732   7.821   2.073
  169   1HB   ARG  22          1HB       ARG  22  -2.294   6.687   0.733
  170   2HB   ARG  22          2HB       ARG  22  -3.309   8.015   1.236
  171   1HG   ARG  22          1HG       ARG  22  -2.860   9.187  -0.844
  172   2HG   ARG  22          2HG       ARG  22  -1.772   7.903  -1.349
  173   1HD   ARG  22          1HD       ARG  22  -4.750   7.757  -0.962
  174   2HD   ARG  22          2HD       ARG  22  -3.846   7.658  -2.462
  175    HE   ARG  22           HE       ARG  22  -3.584   5.599  -0.366
  176   1HH1  ARG  22          1HH1      ARG  22  -4.438   6.464  -3.684
  177   2HH1  ARG  22          2HH1      ARG  22  -4.467   4.850  -4.246
  178   1HH2  ARG  22          1HH2      ARG  22  -3.788   3.431  -1.063
  179   2HH2  ARG  22          2HH2      ARG  22  -4.126   3.049  -2.693
  180    H    ALA  23           H        ALA  23   1.072   7.490   0.936
  181    HA   ALA  23           HA       ALA  23   1.519   9.263  -1.339
  182   1HB   ALA  23          1HB       ALA  23   3.901   9.306  -0.766
  183   2HB   ALA  23          2HB       ALA  23   3.580   8.293   0.643
  184   3HB   ALA  23          3HB       ALA  23   2.916   9.925   0.561
  185    H    GLY  24           H        GLY  24   0.785   7.726  -2.746
  186   1HA   GLY  24          1HA       GLY  24   2.221   5.175  -2.689
  187   2HA   GLY  24          2HA       GLY  24   0.713   5.469  -3.556
  188    H    PHE  25           H        PHE  25   4.189   6.285  -3.490
  189    HA   PHE  25           HA       PHE  25   4.111   7.582  -5.992
  190   1HB   PHE  25          1HB       PHE  25   6.439   6.331  -4.510
  191   2HB   PHE  25          2HB       PHE  25   6.609   7.285  -5.970
  192    HD1  PHE  25           HD1      PHE  25   6.266   9.700  -5.915
  193    HD2  PHE  25           HD2      PHE  25   5.975   7.351  -2.382
  194    HE1  PHE  25           HE1      PHE  25   6.470  11.737  -4.541
  195    HE2  PHE  25           HE2      PHE  25   6.173   9.379  -1.008
  196    HZ   PHE  25           HZ       PHE  25   6.423  11.575  -2.089
  197    H    ARG  26           H        ARG  26   5.969   4.676  -5.422
  198    HA   ARG  26           HA       ARG  26   5.661   3.886  -8.160
  199   1HB   ARG  26          1HB       ARG  26   6.883   2.535  -5.800
  200   2HB   ARG  26          2HB       ARG  26   6.789   1.770  -7.372
  201   1HG   ARG  26          1HG       ARG  26   8.933   2.649  -7.008
  202   2HG   ARG  26          2HG       ARG  26   8.119   3.567  -8.291
  203   1HD   ARG  26          1HD       ARG  26   7.777   5.416  -6.780
  204   2HD   ARG  26          2HD       ARG  26   8.348   4.461  -5.425
  205    HE   ARG  26           HE       ARG  26  10.517   4.403  -6.599
  206   1HH1  ARG  26          1HH1      ARG  26   8.316   7.100  -7.346
  207   2HH1  ARG  26          2HH1      ARG  26   9.562   8.250  -7.483
  208   1HH2  ARG  26          1HH2      ARG  26  12.214   6.025  -6.805
  209   2HH2  ARG  26          2HH2      ARG  26  11.781   7.637  -7.171
  210    H    GLU  27           H        GLU  27   4.219   2.896  -5.119
  211    HA   GLU  27           HA       GLU  27   3.037   0.497  -6.032
  212   1HB   GLU  27          1HB       GLU  27   3.578   0.973  -3.719
  213   2HB   GLU  27          2HB       GLU  27   2.485   2.343  -3.753
  214   1HG   GLU  27          1HG       GLU  27   1.819   0.223  -2.519
  215   2HG   GLU  27          2HG       GLU  27   0.596   0.961  -3.574
  216    H    CYS  28           H        CYS  28   2.311   3.716  -6.623
  217    HA   CYS  28           HA       CYS  28  -0.377   3.881  -6.930
  218   1HB   CYS  28          1HB       CYS  28   1.031   5.757  -7.465
  219   2HB   CYS  28          2HB       CYS  28   1.782   4.886  -8.791
  220    HG   CYS  28           HG       CYS  28  -1.281   6.296  -8.620
  221    H    ALA  29           H        ALA  29   1.956   2.327  -9.101
  222    HA   ALA  29           HA       ALA  29   0.134   1.649 -11.182
  223   1HB   ALA  29          1HB       ALA  29   2.826   0.463 -10.557
  224   2HB   ALA  29          2HB       ALA  29   2.555   1.890 -11.558
  225   3HB   ALA  29          3HB       ALA  29   1.945   0.318 -12.077
  226    H    ALA  30           H        ALA  30   1.420  -0.035  -8.470
  227    HA   ALA  30           HA       ALA  30   0.413  -2.551  -9.048
  228   1HB   ALA  30          1HB       ALA  30   2.174  -1.990  -7.548
  229   2HB   ALA  30          2HB       ALA  30   0.932  -3.022  -6.826
  230   3HB   ALA  30          3HB       ALA  30   0.994  -1.300  -6.449
  231    H    MET  31           H        MET  31  -0.819   0.042  -6.960
  232    HA   MET  31           HA       MET  31  -2.922  -1.387  -5.882
  233   1HB   MET  31          1HB       MET  31  -3.952   0.738  -5.239
  234   2HB   MET  31          2HB       MET  31  -2.230   0.719  -4.915
  235   1HG   MET  31          1HG       MET  31  -1.871   2.040  -6.965
  236   2HG   MET  31          2HG       MET  31  -3.610   2.110  -7.199
  237   1HE   MET  31          1HE       MET  31  -1.600   2.315  -3.771
  238   2HE   MET  31          2HE       MET  31  -1.356   4.056  -3.659
  239   3HE   MET  31          3HE       MET  31  -0.584   3.139  -4.951
  240    H    ILE  32           H        ILE  32  -2.748   0.245  -8.948
  241    HA   ILE  32           HA       ILE  32  -5.485   0.181  -9.569
  242    HB   ILE  32           HB       ILE  32  -3.100   0.018 -11.442
  243   1HG1  ILE  32          1HG1      ILE  32  -3.005   2.018 -10.062
  244   2HG1  ILE  32          2HG1      ILE  32  -3.403   2.452 -11.718
  245   1HG2  ILE  32          1HG2      ILE  32  -4.622   0.899 -13.173
  246   2HG2  ILE  32          2HG2      ILE  32  -5.963   0.789 -12.034
  247   3HG2  ILE  32          3HG2      ILE  32  -5.146  -0.677 -12.576
  248   1HD1  ILE  32          1HD1      ILE  32  -4.694   3.760 -10.143
  249   2HD1  ILE  32          2HD1      ILE  32  -5.326   2.297  -9.398
  250   3HD1  ILE  32          3HD1      ILE  32  -5.760   2.699 -11.061
  251    H    GLU  33           H        GLU  33  -2.953  -2.209  -9.814
  252    HA   GLU  33           HA       GLU  33  -4.514  -4.186 -11.268
  253   1HB   GLU  33          1HB       GLU  33  -1.961  -4.571  -9.705
  254   2HB   GLU  33          2HB       GLU  33  -2.612  -5.621 -10.951
  255   1HG   GLU  33          1HG       GLU  33  -1.532  -2.845 -11.350
  256   2HG   GLU  33          2HG       GLU  33  -0.719  -4.348 -11.768
  257    H    LYS  34           H        LYS  34  -3.715  -3.414  -8.002
  258    HA   LYS  34           HA       LYS  34  -4.552  -5.813  -6.740
  259   1HB   LYS  34          1HB       LYS  34  -3.957  -3.055  -5.791
  260   2HB   LYS  34          2HB       LYS  34  -4.546  -4.278  -4.682
  261   1HG   LYS  34          1HG       LYS  34  -2.685  -5.550  -4.801
  262   2HG   LYS  34          2HG       LYS  34  -2.260  -5.075  -6.440
  263   1HD   LYS  34          1HD       LYS  34  -1.547  -2.888  -5.461
  264   2HD   LYS  34          2HD       LYS  34  -1.835  -3.581  -3.858
  265   1HE   LYS  34          1HE       LYS  34  -0.316  -5.459  -4.503
  266   2HE   LYS  34          2HE       LYS  34   0.064  -4.594  -5.974
  267   1HZ   LYS  34          1HZ       LYS  34   0.903  -2.775  -4.578
  268   2HZ   LYS  34          2HZ       LYS  34   1.773  -4.177  -4.328
  269   3HZ   LYS  34          3HZ       LYS  34   0.622  -3.659  -3.207
  270    H    LYS  35           H        LYS  35  -6.362  -3.401  -8.133
  271    HA   LYS  35           HA       LYS  35  -8.631  -3.462  -6.438
  272   1HB   LYS  35          1HB       LYS  35  -8.291  -1.722  -8.159
  273   2HB   LYS  35          2HB       LYS  35  -8.488  -2.944  -9.411
  274   1HG   LYS  35          1HG       LYS  35 -10.780  -3.375  -8.567
  275   2HG   LYS  35          2HG       LYS  35 -10.570  -2.053  -7.425
  276   1HD   LYS  35          1HD       LYS  35 -11.814  -1.330  -9.334
  277   2HD   LYS  35          2HD       LYS  35 -10.217  -0.533  -9.305
  278   1HE   LYS  35          1HE       LYS  35  -9.428  -2.075 -11.004
  279   2HE   LYS  35          2HE       LYS  35 -10.972  -2.927 -10.979
  280   1HZ   LYS  35          1HZ       LYS  35 -10.541  -0.113 -11.812
  281   2HZ   LYS  35          2HZ       LYS  35 -12.027  -0.878 -11.793
  282   3HZ   LYS  35          3HZ       LYS  35 -10.820  -1.410 -12.844
  283    H    ALA  36           H        ALA  36  -7.312  -5.668  -8.723
  284    HA   ALA  36           HA       ALA  36  -9.714  -6.884  -9.478
  285   1HB   ALA  36          1HB       ALA  36  -7.683  -7.127 -10.826
  286   2HB   ALA  36          2HB       ALA  36  -8.310  -8.710 -10.372
  287   3HB   ALA  36          3HB       ALA  36  -6.917  -8.035  -9.528
  288    H    ARG  37           H        ARG  37  -7.065  -8.107  -7.473
  289    HA   ARG  37           HA       ARG  37  -8.876  -8.992  -5.399
  290   1HB   ARG  37          1HB       ARG  37  -7.141 -11.077  -6.773
  291   2HB   ARG  37          2HB       ARG  37  -8.038 -11.321  -5.293
  292   1HG   ARG  37          1HG       ARG  37 -10.133 -10.939  -6.567
  293   2HG   ARG  37          2HG       ARG  37  -9.166 -10.857  -8.039
  294   1HD   ARG  37          1HD       ARG  37 -10.015 -13.084  -7.843
  295   2HD   ARG  37          2HD       ARG  37  -8.285 -13.103  -7.500
  296    HE   ARG  37           HE       ARG  37 -10.052 -12.894  -5.216
  297   1HH1  ARG  37          1HH1      ARG  37  -7.970 -14.972  -7.179
  298   2HH1  ARG  37          2HH1      ARG  37  -7.965 -16.262  -6.080
  299   1HH2  ARG  37          1HH2      ARG  37 -10.077 -14.665  -3.716
  300   2HH2  ARG  37          2HH2      ARG  37  -9.206 -16.094  -4.047
  301    H    ARG  38           H        ARG  38  -5.560  -9.765  -6.425
  302    HA   ARG  38           HA       ARG  38  -4.348  -8.229  -4.364
  303   1HB   ARG  38          1HB       ARG  38  -5.094 -10.039  -2.971
  304   2HB   ARG  38          2HB       ARG  38  -4.459 -11.235  -4.084
  305   1HG   ARG  38          1HG       ARG  38  -2.182 -10.483  -3.576
  306   2HG   ARG  38          2HG       ARG  38  -2.827  -9.321  -2.419
  307   1HD   ARG  38          1HD       ARG  38  -2.069 -11.344  -1.279
  308   2HD   ARG  38          2HD       ARG  38  -3.817 -11.166  -1.134
  309    HE   ARG  38           HE       ARG  38  -3.112 -12.760  -3.374
  310   1HH1  ARG  38          1HH1      ARG  38  -3.525 -12.930   0.153
  311   2HH1  ARG  38          2HH1      ARG  38  -3.792 -14.624   0.143
  312   1HH2  ARG  38          1HH2      ARG  38  -3.474 -15.033  -3.333
  313   2HH2  ARG  38          2HH2      ARG  38  -3.736 -15.841  -1.860
  314    H    VAL  39           H        VAL  39  -2.598  -7.553  -5.425
  315    HA   VAL  39           HA       VAL  39  -1.175  -9.445  -7.180
  316    HB   VAL  39           HB       VAL  39  -1.636  -6.465  -7.790
  317   1HG1  VAL  39          1HG1      VAL  39  -0.365  -8.593  -9.506
  318   2HG1  VAL  39          2HG1      VAL  39   0.477  -7.262  -8.712
  319   3HG1  VAL  39          3HG1      VAL  39  -0.697  -6.928  -9.985
  320   1HG2  VAL  39          1HG2      VAL  39  -3.675  -7.748  -8.026
  321   2HG2  VAL  39          2HG2      VAL  39  -2.838  -8.898  -9.069
  322   3HG2  VAL  39          3HG2      VAL  39  -3.062  -7.227  -9.596
  323    H    VAL  40           H        VAL  40   1.146  -8.800  -7.503
  324    HA   VAL  40           HA       VAL  40   2.237  -7.440  -5.154
  325    HB   VAL  40           HB       VAL  40   2.853  -9.830  -5.185
  326   1HG1  VAL  40          1HG1      VAL  40   4.188 -10.804  -7.014
  327   2HG1  VAL  40          2HG1      VAL  40   3.961  -9.320  -7.941
  328   3HG1  VAL  40          3HG1      VAL  40   2.572 -10.323  -7.528
  329   1HG2  VAL  40          1HG2      VAL  40   5.309  -9.679  -5.167
  330   2HG2  VAL  40          2HG2      VAL  40   4.575  -8.287  -4.370
  331   3HG2  VAL  40          3HG2      VAL  40   5.214  -8.129  -6.002
  332    H    HIS  41           H        HIS  41   4.077  -5.973  -5.559
  333    HA   HIS  41           HA       HIS  41   4.541  -5.367  -8.370
  334   1HB   HIS  41          1HB       HIS  41   2.782  -3.881  -7.347
  335   2HB   HIS  41          2HB       HIS  41   4.004  -3.303  -6.237
  336    HD1  HIS  41           HD1      HIS  41   5.213  -1.190  -7.021
  337    HD2  HIS  41           HD2      HIS  41   3.317  -3.150 -10.169
  338    HE1  HIS  41           HE1      HIS  41   5.569   0.214  -9.058
  339    H    ILE  42           H        ILE  42   6.641  -5.515  -8.587
  340    HA   ILE  42           HA       ILE  42   8.328  -5.268  -6.281
  341    HB   ILE  42           HB       ILE  42   8.794  -7.034  -8.015
  342   1HG1  ILE  42          1HG1      ILE  42  11.011  -4.988  -7.700
  343   2HG1  ILE  42          2HG1      ILE  42  10.608  -6.251  -6.550
  344   1HG2  ILE  42          1HG2      ILE  42   9.499  -4.717  -9.807
  345   2HG2  ILE  42          2HG2      ILE  42   8.146  -5.824 -10.020
  346   3HG2  ILE  42          3HG2      ILE  42   9.800  -6.416 -10.169
  347   1HD1  ILE  42          1HD1      ILE  42  12.568  -6.834  -7.850
  348   2HD1  ILE  42          2HD1      ILE  42  11.643  -6.669  -9.343
  349   3HD1  ILE  42          3HD1      ILE  42  11.239  -7.942  -8.194
  350    H    LYS  43           H        LYS  43   9.863  -3.694  -6.032
  351    HA   LYS  43           HA       LYS  43  10.804  -1.633  -6.086
  352   1HB   LYS  43          1HB       LYS  43   9.727  -1.393  -8.916
  353   2HB   LYS  43          2HB       LYS  43  10.899  -0.318  -8.172
  354   1HG   LYS  43          1HG       LYS  43  12.504  -2.110  -8.047
  355   2HG   LYS  43          2HG       LYS  43  11.324  -3.246  -8.708
  356   1HD   LYS  43          1HD       LYS  43  11.247  -1.892 -10.776
  357   2HD   LYS  43          2HD       LYS  43  12.501  -0.843 -10.106
  358   1HE   LYS  43          1HE       LYS  43  14.012  -2.770  -9.939
  359   2HE   LYS  43          2HE       LYS  43  12.757  -3.803 -10.614
  360   1HZ   LYS  43          1HZ       LYS  43  12.849  -2.497 -12.652
  361   2HZ   LYS  43          2HZ       LYS  43  14.341  -3.171 -12.291
  362   3HZ   LYS  43          3HZ       LYS  43  14.074  -1.535 -12.013
  363    HA   PRO  44           HA       PRO  44   6.690   0.467  -5.516
  364   1HB   PRO  44          1HB       PRO  44   5.837  -0.288  -3.100
  365   2HB   PRO  44          2HB       PRO  44   5.555  -1.294  -4.525
  366   1HG   PRO  44          1HG       PRO  44   7.517  -1.637  -2.329
  367   2HG   PRO  44          2HG       PRO  44   6.673  -2.859  -3.294
  368   1HD   PRO  44          1HD       PRO  44   9.296  -1.933  -3.684
  369   2HD   PRO  44          2HD       PRO  44   8.339  -2.959  -4.767
  370    H    GLY  45           H        GLY  45   6.318   2.263  -4.005
  371   1HA   GLY  45          1HA       GLY  45   8.409   2.948  -2.091
  372   2HA   GLY  45          2HA       GLY  45   8.340   3.974  -3.531
  373    H    GLU  46           H        GLU  46   5.833   2.404  -1.772
  374    HA   GLU  46           HA       GLU  46   4.415   4.881  -1.607
  375   1HB   GLU  46          1HB       GLU  46   2.586   3.461  -1.847
  376   2HB   GLU  46          2HB       GLU  46   3.874   2.588  -2.448
  377   1HG   GLU  46          1HG       GLU  46   3.134   2.089   0.401
  378   2HG   GLU  46          2HG       GLU  46   2.446   1.181  -0.933
  379    H    LYS  47           H        LYS  47   3.442   5.503   0.230
  380    HA   LYS  47           HA       LYS  47   3.914   4.271   2.731
  381   1HB   LYS  47          1HB       LYS  47   5.120   6.833   1.987
  382   2HB   LYS  47          2HB       LYS  47   4.177   6.895   3.476
  383   1HG   LYS  47          1HG       LYS  47   6.325   4.883   2.895
  384   2HG   LYS  47          2HG       LYS  47   6.556   6.350   3.855
  385   1HD   LYS  47          1HD       LYS  47   5.667   5.378   5.669
  386   2HD   LYS  47          2HD       LYS  47   4.239   4.888   4.769
  387   1HE   LYS  47          1HE       LYS  47   6.880   3.383   4.880
  388   2HE   LYS  47          2HE       LYS  47   5.430   2.991   5.782
  389   1HZ   LYS  47          1HZ       LYS  47   5.566   2.975   2.799
  390   2HZ   LYS  47          2HZ       LYS  47   4.281   2.452   3.783
  391   3HZ   LYS  47          3HZ       LYS  47   5.726   1.630   3.788
  392    H    ILE  48           H        ILE  48   2.008   3.688   2.705
  393    HA   ILE  48           HA       ILE  48  -0.059   5.569   2.170
  394    HB   ILE  48           HB       ILE  48  -1.530   3.473   2.502
  395   1HG1  ILE  48          1HG1      ILE  48   1.227   2.226   2.185
  396   2HG1  ILE  48          2HG1      ILE  48   0.087   1.971   3.500
  397   1HG2  ILE  48          1HG2      ILE  48  -1.175   4.588   0.359
  398   2HG2  ILE  48          2HG2      ILE  48  -1.128   2.840   0.130
  399   3HG2  ILE  48          3HG2      ILE  48   0.372   3.764   0.161
  400   1HD1  ILE  48          1HD1      ILE  48  -1.401   0.802   1.950
  401   2HD1  ILE  48          2HD1      ILE  48   0.197   0.058   2.019
  402   3HD1  ILE  48          3HD1      ILE  48  -0.245   1.074   0.647
  403    H    LEU  49           H        LEU  49  -0.288   6.891   3.693
  404    HA   LEU  49           HA       LEU  49  -1.149   7.863   5.456
  405   1HB   LEU  49          1HB       LEU  49  -2.165   5.210   6.434
  406   2HB   LEU  49          2HB       LEU  49  -2.724   6.793   6.903
  407    HG   LEU  49           HG       LEU  49  -4.413   6.203   5.541
  408   1HD1  LEU  49          1HD1      LEU  49  -2.570   7.341   3.520
  409   2HD1  LEU  49          2HD1      LEU  49  -3.658   8.208   4.601
  410   3HD1  LEU  49          3HD1      LEU  49  -4.313   7.163   3.344
  411   1HD2  LEU  49          1HD2      LEU  49  -3.668   3.986   5.024
  412   2HD2  LEU  49          2HD2      LEU  49  -2.508   4.614   3.860
  413   3HD2  LEU  49          3HD2      LEU  49  -4.233   4.744   3.533
  414    H    GLY  50           H        GLY  50   1.402   6.020   5.651
  415   1HA   GLY  50          1HA       GLY  50   3.145   6.031   7.180
  416   2HA   GLY  50          2HA       GLY  50   2.128   6.942   8.297
  417    H    ALA  51           H        ALA  51   0.046   4.803   7.858
  418    HA   ALA  51           HA       ALA  51   1.096   2.421   9.055
  419   1HB   ALA  51          1HB       ALA  51   0.574   3.798  11.033
  420   2HB   ALA  51          2HB       ALA  51  -0.616   2.507  10.868
  421   3HB   ALA  51          3HB       ALA  51  -1.025   4.151  10.377
  422    H    ARG  52           H        ARG  52  -0.475   0.720   8.679
  423    HA   ARG  52           HA       ARG  52  -2.029   1.394   6.356
  424   1HB   ARG  52          1HB       ARG  52  -0.542  -0.610   6.400
  425   2HB   ARG  52          2HB       ARG  52  -1.632  -1.340   7.570
  426   1HG   ARG  52          1HG       ARG  52  -2.064  -2.189   5.330
  427   2HG   ARG  52          2HG       ARG  52  -3.449  -1.258   5.922
  428   1HD   ARG  52          1HD       ARG  52  -2.655   0.699   4.696
  429   2HD   ARG  52          2HD       ARG  52  -1.285  -0.232   4.100
  430    HE   ARG  52           HE       ARG  52  -3.166  -1.664   3.117
  431   1HH1  ARG  52          1HH1      ARG  52  -3.287   1.908   3.501
  432   2HH1  ARG  52          2HH1      ARG  52  -4.188   2.091   2.062
  433   1HH2  ARG  52          1HH2      ARG  52  -4.419  -1.196   1.094
  434   2HH2  ARG  52          2HH2      ARG  52  -4.811   0.457   0.820
  435    H    ILE  53           H        ILE  53  -4.044   2.269   6.734
  436    HA   ILE  53           HA       ILE  53  -5.836   0.692   8.419
  437    HB   ILE  53           HB       ILE  53  -5.863   3.721   8.045
  438   1HG1  ILE  53          1HG1      ILE  53  -5.810   3.722  10.629
  439   2HG1  ILE  53          2HG1      ILE  53  -5.275   2.057  10.493
  440   1HG2  ILE  53          1HG2      ILE  53  -8.128   2.894   8.056
  441   2HG2  ILE  53          2HG2      ILE  53  -7.813   3.766   9.558
  442   3HG2  ILE  53          3HG2      ILE  53  -7.829   2.003   9.548
  443   1HD1  ILE  53          1HD1      ILE  53  -3.415   3.557  10.843
  444   2HD1  ILE  53          2HD1      ILE  53  -3.863   4.479   9.408
  445   3HD1  ILE  53          3HD1      ILE  53  -3.311   2.812   9.248
  446    H    ILE  54           H        ILE  54  -7.772   0.187   7.403
  447    HA   ILE  54           HA       ILE  54  -7.892   0.894   4.581
  448    HB   ILE  54           HB       ILE  54  -9.423  -1.212   6.147
  449   1HG1  ILE  54          1HG1      ILE  54  -7.036  -1.761   6.118
  450   2HG1  ILE  54          2HG1      ILE  54  -7.935  -2.872   5.095
  451   1HG2  ILE  54          1HG2      ILE  54 -10.571  -0.456   4.099
  452   2HG2  ILE  54          2HG2      ILE  54 -10.067  -2.140   4.021
  453   3HG2  ILE  54          3HG2      ILE  54  -9.138  -0.913   3.165
  454   1HD1  ILE  54          1HD1      ILE  54  -5.830  -2.246   4.075
  455   2HD1  ILE  54          2HD1      ILE  54  -6.273  -0.543   4.154
  456   3HD1  ILE  54          3HD1      ILE  54  -7.182  -1.643   3.114
  457    H    GLY  55           H        GLY  55  -9.741   0.948   7.575
  458   1HA   GLY  55          1HA       GLY  55 -11.326   2.655   8.123
  459   2HA   GLY  55          2HA       GLY  55 -11.526   2.981   6.400
  460    H    ILE  56           H        ILE  56 -11.594   0.164   5.846
  461    HA   ILE  56           HA       ILE  56 -14.319  -0.528   6.699
  462    HB   ILE  56           HB       ILE  56 -12.724  -1.282   4.232
  463   1HG1  ILE  56          1HG1      ILE  56 -13.695   0.922   4.052
  464   2HG1  ILE  56          2HG1      ILE  56 -14.511  -0.171   2.949
  465   1HG2  ILE  56          1HG2      ILE  56 -14.683  -2.565   3.455
  466   2HG2  ILE  56          2HG2      ILE  56 -15.483  -2.246   4.991
  467   3HG2  ILE  56          3HG2      ILE  56 -14.014  -3.222   4.952
  468   1HD1  ILE  56          1HD1      ILE  56 -16.097   1.320   4.014
  469   2HD1  ILE  56          2HD1      ILE  56 -15.567   0.794   5.606
  470   3HD1  ILE  56          3HD1      ILE  56 -16.388  -0.341   4.530
  471    HA   PRO  57           HA       PRO  57 -11.841  -3.465   9.128
  472   1HB   PRO  57          1HB       PRO  57 -14.588  -4.541   9.570
  473   2HB   PRO  57          2HB       PRO  57 -13.324  -4.179  10.753
  474   1HG   PRO  57          1HG       PRO  57 -15.410  -2.563  10.475
  475   2HG   PRO  57          2HG       PRO  57 -13.785  -1.902  10.740
  476   1HD   PRO  57          1HD       PRO  57 -15.389  -2.053   8.225
  477   2HD   PRO  57          2HD       PRO  57 -14.302  -0.771   8.806
  478    HA   PRO  58           HA       PRO  58 -12.269  -6.746   5.984
  479   1HB   PRO  58          1HB       PRO  58  -9.706  -6.914   5.411
  480   2HB   PRO  58          2HB       PRO  58 -10.595  -5.472   4.912
  481   1HG   PRO  58          1HG       PRO  58  -8.584  -5.793   7.068
  482   2HG   PRO  58          2HG       PRO  58  -9.011  -4.351   6.135
  483   1HD   PRO  58          1HD       PRO  58  -9.945  -5.115   8.752
  484   2HD   PRO  58          2HD       PRO  58 -10.354  -3.664   7.808
  485    H    VAL  59           H        VAL  59 -10.500  -8.648   5.845
  486    HA   VAL  59           HA       VAL  59 -10.724 -10.050   8.306
  487    HB   VAL  59           HB       VAL  59  -9.138 -10.705   5.805
  488   1HG1  VAL  59          1HG1      VAL  59  -9.880 -12.497   8.142
  489   2HG1  VAL  59          2HG1      VAL  59  -8.253 -11.941   7.744
  490   3HG1  VAL  59          3HG1      VAL  59  -9.100 -13.044   6.658
  491   1HG2  VAL  59          1HG2      VAL  59 -10.970 -12.229   5.257
  492   2HG2  VAL  59          2HG2      VAL  59 -11.551 -10.567   5.439
  493   3HG2  VAL  59          3HG2      VAL  59 -11.812 -11.739   6.724
  494    HA   PRO  60           HA       PRO  60  -7.192  -7.870   9.901
  495   1HB   PRO  60          1HB       PRO  60  -7.215  -8.846  12.379
  496   2HB   PRO  60          2HB       PRO  60  -8.511  -7.795  11.792
  497   1HG   PRO  60          1HG       PRO  60  -8.462 -10.784  12.026
  498   2HG   PRO  60          2HG       PRO  60  -9.736  -9.649  12.513
  499   1HD   PRO  60          1HD       PRO  60  -9.796 -11.035  10.170
  500   2HD   PRO  60          2HD       PRO  60 -10.534  -9.432  10.377
  501    H    ILE  61           H        ILE  61  -6.388 -10.196   8.292
  502    HA   ILE  61           HA       ILE  61  -4.295 -11.221  10.070
  503    HB   ILE  61           HB       ILE  61  -5.550 -12.658   7.685
  504   1HG1  ILE  61          1HG1      ILE  61  -5.756 -13.285  10.638
  505   2HG1  ILE  61          2HG1      ILE  61  -7.025 -12.546   9.670
  506   1HG2  ILE  61          1HG2      ILE  61  -3.149 -13.230   8.008
  507   2HG2  ILE  61          2HG2      ILE  61  -4.208 -14.598   8.343
  508   3HG2  ILE  61          3HG2      ILE  61  -3.506 -13.686   9.676
  509   1HD1  ILE  61          1HD1      ILE  61  -7.168 -14.573   8.319
  510   2HD1  ILE  61          2HD1      ILE  61  -7.429 -14.917  10.029
  511   3HD1  ILE  61          3HD1      ILE  61  -5.881 -15.304   9.277
  512    H    GLY  62           H        GLY  62  -2.139 -11.345   9.112
  513   1HA   GLY  62          1HA       GLY  62  -1.481 -10.867   6.531
  514   2HA   GLY  62          2HA       GLY  62  -1.703  -9.256   7.198
  515    H    ILE  63           H        ILE  63   0.689 -10.863   6.262
  516    HA   ILE  63           HA       ILE  63   2.321 -10.623   8.689
  517    HB   ILE  63           HB       ILE  63   2.652 -12.559   6.383
  518   1HG1  ILE  63          1HG1      ILE  63   1.817 -13.107   9.243
  519   2HG1  ILE  63          2HG1      ILE  63   0.725 -13.075   7.866
  520   1HG2  ILE  63          1HG2      ILE  63   4.790 -11.905   7.348
  521   2HG2  ILE  63          2HG2      ILE  63   4.408 -13.575   7.774
  522   3HG2  ILE  63          3HG2      ILE  63   4.196 -12.291   8.963
  523   1HD1  ILE  63          1HD1      ILE  63   1.890 -14.968   6.892
  524   2HD1  ILE  63          2HD1      ILE  63   1.323 -15.345   8.522
  525   3HD1  ILE  63          3HD1      ILE  63   3.024 -14.969   8.240
  526    H    ASP  64           H        ASP  64   3.605  -8.898   8.448
  527    HA   ASP  64           HA       ASP  64   4.495  -8.059   5.781
  528   1HB   ASP  64          1HB       ASP  64   5.000  -6.738   8.479
  529   2HB   ASP  64          2HB       ASP  64   5.392  -6.054   6.910
  530    H    GLU  65           H        GLU  65   6.207  -9.213   5.098
  531    HA   GLU  65           HA       GLU  65   7.904 -10.555   6.923
  532   1HB   GLU  65          1HB       GLU  65   7.955 -10.244   3.940
  533   2HB   GLU  65          2HB       GLU  65   9.112 -11.220   4.836
  534   1HG   GLU  65          1HG       GLU  65   6.139 -11.635   4.984
  535   2HG   GLU  65          2HG       GLU  65   7.183 -12.465   3.830
  536    H    GLU  66           H        GLU  66   8.656  -8.179   4.427
  537    HA   GLU  66           HA       GLU  66  10.441  -6.718   6.040
  538   1HB   GLU  66          1HB       GLU  66  11.668  -8.931   5.696
  539   2HB   GLU  66          2HB       GLU  66  11.665  -8.617   3.983
  540   1HG   GLU  66          1HG       GLU  66  12.983  -6.657   5.784
  541   2HG   GLU  66          2HG       GLU  66  13.776  -8.203   5.489
  542    H    ARG  67           H        ARG  67  11.863  -5.341   4.123
  543    HA   ARG  67           HA       ARG  67   9.658  -4.212   2.597
  544   1HB   ARG  67          1HB       ARG  67  11.637  -3.031   4.025
  545   2HB   ARG  67          2HB       ARG  67  12.357  -3.009   2.426
  546   1HG   ARG  67          1HG       ARG  67   9.727  -1.768   3.236
  547   2HG   ARG  67          2HG       ARG  67  11.221  -0.922   2.834
  548   1HD   ARG  67          1HD       ARG  67  11.102  -1.778   0.586
  549   2HD   ARG  67          2HD       ARG  67   9.615  -2.643   0.961
  550    HE   ARG  67           HE       ARG  67   9.931   0.282   0.915
  551   1HH1  ARG  67          1HH1      ARG  67   7.730  -2.554   0.705
  552   2HH1  ARG  67          2HH1      ARG  67   6.458  -1.603   0.079
  553   1HH2  ARG  67          1HH2      ARG  67   8.085   1.473  -0.029
  554   2HH2  ARG  67          2HH2      ARG  67   6.663   0.591  -0.379
  555    H    SER  68           H        SER  68  12.844  -5.647   2.169
  556    HA   SER  68           HA       SER  68  12.584  -5.564  -0.695
  557   1HB   SER  68          1HB       SER  68  14.752  -4.991   0.307
  558   2HB   SER  68          2HB       SER  68  14.818  -6.543   1.128
  559    HG   SER  68           HG       SER  68  14.729  -7.439  -1.054
  560    H    THR  69           H        THR  69  10.814  -7.010   0.892
  561    HA   THR  69           HA       THR  69  10.910  -9.623  -0.348
  562    HB   THR  69           HB       THR  69  10.307  -9.250   2.608
  563    HG1  THR  69           HG1      THR  69  12.645  -9.014   2.172
  564   1HG2  THR  69          1HG2      THR  69  10.759 -11.788   1.015
  565   2HG2  THR  69          2HG2      THR  69   9.193 -11.178   1.544
  566   3HG2  THR  69          3HG2      THR  69  10.377 -11.702   2.736
  567    H    VAL  70           H        VAL  70   8.675 -10.528  -0.261
  568    HA   VAL  70           HA       VAL  70   6.626  -8.513  -0.686
  569    HB   VAL  70           HB       VAL  70   5.151 -10.470  -1.116
  570   1HG1  VAL  70          1HG1      VAL  70   6.302  -9.535  -2.986
  571   2HG1  VAL  70          2HG1      VAL  70   6.277 -11.291  -3.147
  572   3HG1  VAL  70          3HG1      VAL  70   7.750 -10.472  -2.622
  573   1HG2  VAL  70          1HG2      VAL  70   6.121 -12.721  -1.266
  574   2HG2  VAL  70          2HG2      VAL  70   6.149 -12.094   0.381
  575   3HG2  VAL  70          3HG2      VAL  70   7.625 -12.112  -0.579
  576    H    MET  71           H        MET  71   4.916  -8.123   0.550
  577    HA   MET  71           HA       MET  71   4.956  -9.374   3.195
  578   1HB   MET  71          1HB       MET  71   3.517  -7.569   4.006
  579   2HB   MET  71          2HB       MET  71   4.895  -6.854   3.194
  580   1HG   MET  71          1HG       MET  71   3.477  -6.397   1.245
  581   2HG   MET  71          2HG       MET  71   2.107  -7.130   2.080
  582   1HE   MET  71          1HE       MET  71   0.605  -4.927   1.814
  583   2HE   MET  71          2HE       MET  71   1.911  -4.179   0.899
  584   3HE   MET  71          3HE       MET  71   1.168  -3.313   2.244
  585    H    ILE  72           H        ILE  72   3.203 -10.608   3.855
  586    HA   ILE  72           HA       ILE  72   1.382 -11.251   1.635
  587    HB   ILE  72           HB       ILE  72   2.134 -13.070   3.948
  588   1HG1  ILE  72          1HG1      ILE  72   4.102 -12.691   2.511
  589   2HG1  ILE  72          2HG1      ILE  72   3.513 -14.339   2.360
  590   1HG2  ILE  72          1HG2      ILE  72   0.649 -13.626   1.377
  591   2HG2  ILE  72          2HG2      ILE  72  -0.047 -13.568   2.997
  592   3HG2  ILE  72          3HG2      ILE  72   1.101 -14.839   2.575
  593   1HD1  ILE  72          1HD1      ILE  72   4.168 -13.458   0.205
  594   2HD1  ILE  72          2HD1      ILE  72   3.071 -12.094   0.402
  595   3HD1  ILE  72          3HD1      ILE  72   2.424 -13.727   0.240
  596    HA   PRO  73           HA       PRO  73  -1.333  -9.682   4.897
  597   1HB   PRO  73          1HB       PRO  73  -2.813  -8.179   3.015
  598   2HB   PRO  73          2HB       PRO  73  -1.632  -7.571   4.174
  599   1HG   PRO  73          1HG       PRO  73  -1.317  -7.549   1.409
  600   2HG   PRO  73          2HG       PRO  73  -0.008  -7.400   2.590
  601   1HD   PRO  73          1HD       PRO  73  -0.932  -9.811   1.079
  602   2HD   PRO  73          2HD       PRO  73   0.720  -9.295   1.503
  603    H    TYR  74           H        TYR  74  -3.352 -10.340   5.416
  604    HA   TYR  74           HA       TYR  74  -4.846 -11.736   3.380
  605   1HB   TYR  74          1HB       TYR  74  -4.280 -12.542   6.209
  606   2HB   TYR  74          2HB       TYR  74  -5.690 -13.179   5.354
  607    HD1  TYR  74           HD1      TYR  74  -2.138 -13.438   5.900
  608    HD2  TYR  74           HD2      TYR  74  -5.298 -14.474   3.255
  609    HE1  TYR  74           HE1      TYR  74  -0.724 -15.175   4.889
  610    HE2  TYR  74           HE2      TYR  74  -3.904 -16.203   2.247
  611    HH   TYR  74           HH       TYR  74  -1.002 -17.254   3.629
  612    H    THR  75           H        THR  75  -5.066  -9.142   3.816
  613    HA   THR  75           HA       THR  75  -7.397  -8.829   5.471
  614    HB   THR  75           HB       THR  75  -7.144  -6.462   4.982
  615    HG1  THR  75           HG1      THR  75  -5.862  -6.912   2.997
  616   1HG2  THR  75          1HG2      THR  75  -6.163  -7.344   7.009
  617   2HG2  THR  75          2HG2      THR  75  -5.111  -6.082   6.366
  618   3HG2  THR  75          3HG2      THR  75  -4.691  -7.781   6.142
  619    H    LYS  76           H        LYS  76  -9.178  -9.281   4.395
  620    HA   LYS  76           HA       LYS  76  -9.390  -8.763   1.518
  621   1HB   LYS  76          1HB       LYS  76  -9.946 -11.030   2.321
  622   2HB   LYS  76          2HB       LYS  76 -11.149 -10.355   3.397
  623   1HG   LYS  76          1HG       LYS  76 -12.210 -11.353   1.471
  624   2HG   LYS  76          2HG       LYS  76 -12.451  -9.609   1.459
  625   1HD   LYS  76          1HD       LYS  76 -10.800  -9.318  -0.240
  626   2HD   LYS  76          2HD       LYS  76 -10.287 -11.005  -0.105
  627   1HE   LYS  76          1HE       LYS  76 -12.423 -11.761  -0.917
  628   2HE   LYS  76          2HE       LYS  76 -13.038 -10.112  -0.960
  629   1HZ   LYS  76          1HZ       LYS  76 -12.333 -10.997  -3.133
  630   2HZ   LYS  76          2HZ       LYS  76 -10.721 -11.024  -2.584
  631   3HZ   LYS  76          3HZ       LYS  76 -11.580  -9.577  -2.681
  632    HA   PRO  77           HA       PRO  77 -12.076  -5.423   3.028
  633   1HB   PRO  77          1HB       PRO  77 -10.882  -3.401   1.743
  634   2HB   PRO  77          2HB       PRO  77 -10.167  -4.121   3.189
  635   1HG   PRO  77          1HG       PRO  77  -9.259  -4.291   0.402
  636   2HG   PRO  77          2HG       PRO  77  -8.377  -4.652   1.893
  637   1HD   PRO  77          1HD       PRO  77  -9.777  -6.485   0.087
  638   2HD   PRO  77          2HD       PRO  77  -8.645  -6.852   1.408
  639    H    CYS  78           H        CYS  78 -12.849  -3.383   1.404
  640    HA   CYS  78           HA       CYS  78 -14.559  -4.652  -0.474
  641   1HB   CYS  78          1HB       CYS  78 -15.249  -2.719   0.910
  642   2HB   CYS  78          2HB       CYS  78 -14.065  -1.714   0.091
  643    HG   CYS  78           HG       CYS  78 -15.318  -1.584  -2.280
  644    H    TYR  79           H        TYR  79 -11.448  -3.238  -0.635
  645    HA   TYR  79           HA       TYR  79 -11.712  -2.782  -3.478
  646   1HB   TYR  79          1HB       TYR  79 -10.683  -1.018  -2.051
  647   2HB   TYR  79          2HB       TYR  79  -9.361  -2.111  -1.697
  648    HD1  TYR  79           HD1      TYR  79  -7.546  -2.389  -3.281
  649    HD2  TYR  79           HD2      TYR  79 -10.972  -0.087  -4.304
  650    HE1  TYR  79           HE1      TYR  79  -6.337  -1.471  -5.213
  651    HE2  TYR  79           HE2      TYR  79  -9.772   0.834  -6.245
  652    HH   TYR  79           HH       TYR  79  -7.522   1.226  -6.996
  653    H    GLY  80           H        GLY  80  -8.755  -3.907  -1.783
  654   1HA   GLY  80          1HA       GLY  80  -8.840  -6.547  -2.699
  655   2HA   GLY  80          2HA       GLY  80  -7.897  -5.549  -3.809
  656    H    THR  81           H        THR  81  -6.361  -7.290  -2.781
  657    HA   THR  81           HA       THR  81  -5.237  -6.200  -0.315
  658    HB   THR  81           HB       THR  81  -4.693  -8.885  -1.553
  659    HG1  THR  81           HG1      THR  81  -6.597  -8.296   0.534
  660   1HG2  THR  81          1HG2      THR  81  -4.397  -7.853   1.273
  661   2HG2  THR  81          2HG2      THR  81  -3.085  -8.130   0.129
  662   3HG2  THR  81          3HG2      THR  81  -4.020  -9.493   0.743
  663    H    ALA  82           H        ALA  82  -3.029  -5.825  -0.238
  664    HA   ALA  82           HA       ALA  82  -1.799  -5.436  -2.890
  665   1HB   ALA  82          1HB       ALA  82  -0.800  -3.409  -1.996
  666   2HB   ALA  82          2HB       ALA  82  -1.560  -3.711  -0.437
  667   3HB   ALA  82          3HB       ALA  82  -2.559  -3.358  -1.845
  668    H    VAL  83           H        VAL  83  -0.002  -6.642  -3.154
  669    HA   VAL  83           HA       VAL  83   1.743  -7.176  -0.835
  670    HB   VAL  83           HB       VAL  83   1.648  -8.554  -3.553
  671   1HG1  VAL  83          1HG1      VAL  83   3.102 -10.218  -2.531
  672   2HG1  VAL  83          2HG1      VAL  83   3.079  -9.313  -1.019
  673   3HG1  VAL  83          3HG1      VAL  83   3.834  -8.613  -2.448
  674   1HG2  VAL  83          1HG2      VAL  83  -0.388  -9.052  -2.309
  675   2HG2  VAL  83          2HG2      VAL  83   0.572  -9.537  -0.911
  676   3HG2  VAL  83          3HG2      VAL  83   0.649 -10.475  -2.403
  677    H    VAL  84           H        VAL  84   3.488  -5.943  -0.759
  678    HA   VAL  84           HA       VAL  84   4.414  -4.641  -3.222
  679    HB   VAL  84           HB       VAL  84   5.356  -2.900  -1.765
  680   1HG1  VAL  84          1HG1      VAL  84   3.146  -2.560  -2.670
  681   2HG1  VAL  84          2HG1      VAL  84   3.243  -1.856  -1.055
  682   3HG1  VAL  84          3HG1      VAL  84   2.427  -3.402  -1.300
  683   1HG2  VAL  84          1HG2      VAL  84   5.714  -4.189   0.268
  684   2HG2  VAL  84          2HG2      VAL  84   3.976  -4.345   0.501
  685   3HG2  VAL  84          3HG2      VAL  84   4.744  -2.759   0.614
  686    H    GLU  85           H        GLU  85   6.730  -4.866  -3.670
  687    HA   GLU  85           HA       GLU  85   8.422  -6.097  -1.636
  688   1HB   GLU  85          1HB       GLU  85   7.551  -7.994  -2.928
  689   2HB   GLU  85          2HB       GLU  85   8.131  -7.252  -4.417
  690   1HG   GLU  85          1HG       GLU  85  10.437  -7.302  -3.351
  691   2HG   GLU  85          2HG       GLU  85   9.736  -8.373  -2.143
  692    H    LEU  86           H        LEU  86  10.185  -4.783  -1.578
  693    HA   LEU  86           HA       LEU  86  10.881  -3.250  -3.973
  694   1HB   LEU  86          1HB       LEU  86  10.556  -2.177  -1.711
  695   2HB   LEU  86          2HB       LEU  86  11.928  -3.089  -1.136
  696    HG   LEU  86           HG       LEU  86  13.318  -1.861  -2.845
  697   1HD1  LEU  86          1HD1      LEU  86  12.471   0.217  -3.738
  698   2HD1  LEU  86          2HD1      LEU  86  10.884  -0.125  -3.052
  699   3HD1  LEU  86          3HD1      LEU  86  11.535  -1.158  -4.322
  700   1HD2  LEU  86          1HD2      LEU  86  13.370  -1.254  -0.493
  701   2HD2  LEU  86          2HD2      LEU  86  11.936  -0.250  -0.707
  702   3HD2  LEU  86          3HD2      LEU  86  13.443   0.199  -1.493
  703    HA   PRO  87           HA       PRO  87  14.473  -6.020  -4.256
  704   1HB   PRO  87          1HB       PRO  87  15.621  -5.061  -6.446
  705   2HB   PRO  87          2HB       PRO  87  14.020  -5.814  -6.538
  706   1HG   PRO  87          1HG       PRO  87  14.755  -2.925  -6.549
  707   2HG   PRO  87          2HG       PRO  87  13.525  -3.781  -7.499
  708   1HD   PRO  87          1HD       PRO  87  13.054  -2.321  -5.158
  709   2HD   PRO  87          2HD       PRO  87  11.953  -3.520  -5.865
  710    H    VAL  88           H        VAL  88  14.466  -2.902  -3.388
  711    HA   VAL  88           HA       VAL  88  17.351  -2.455  -3.311
  712    HB   VAL  88           HB       VAL  88  15.167  -0.648  -2.281
  713   1HG1  VAL  88          1HG1      VAL  88  18.009  -0.030  -3.047
  714   2HG1  VAL  88          2HG1      VAL  88  17.336  -0.069  -1.418
  715   3HG1  VAL  88          3HG1      VAL  88  16.811   1.170  -2.558
  716   1HG2  VAL  88          1HG2      VAL  88  16.398  -0.602  -5.034
  717   2HG2  VAL  88          2HG2      VAL  88  15.316   0.633  -4.390
  718   3HG2  VAL  88          3HG2      VAL  88  14.730  -1.013  -4.640
  719    H    ASP  89           H        ASP  89  18.288  -1.952  -1.272
  720    HA   ASP  89           HA       ASP  89  17.728  -3.891   0.621
  721   1HB   ASP  89          1HB       ASP  89  19.538  -1.498   0.660
  722   2HB   ASP  89          2HB       ASP  89  19.416  -2.611   2.017
  723    HA   PRO  90           HA       PRO  90  14.708  -2.286   3.354
  724   1HB   PRO  90          1HB       PRO  90  15.764  -3.120   5.778
  725   2HB   PRO  90          2HB       PRO  90  14.822  -4.134   4.684
  726   1HG   PRO  90          1HG       PRO  90  17.789  -3.935   4.992
  727   2HG   PRO  90          2HG       PRO  90  16.780  -5.375   4.766
  728   1HD   PRO  90          1HD       PRO  90  18.165  -4.341   2.738
  729   2HD   PRO  90          2HD       PRO  90  16.535  -4.997   2.486
  730    H    GLU  91           H        GLU  91  17.897  -1.156   3.411
  731    HA   GLU  91           HA       GLU  91  17.938   0.636   5.560
  732   1HB   GLU  91          1HB       GLU  91  19.600   1.914   4.231
  733   2HB   GLU  91          2HB       GLU  91  19.957   0.199   4.244
  734   1HG   GLU  91          1HG       GLU  91  19.019  -0.032   2.016
  735   2HG   GLU  91          2HG       GLU  91  18.585   1.671   1.995
  736    H    GLU  92           H        GLU  92  16.331   0.714   2.512
  737    HA   GLU  92           HA       GLU  92  15.698   3.415   2.249
  738   1HB   GLU  92          1HB       GLU  92  14.616   0.881   1.173
  739   2HB   GLU  92          2HB       GLU  92  13.579   2.294   1.079
  740   1HG   GLU  92          1HG       GLU  92  16.405   2.374   0.098
  741   2HG   GLU  92          2HG       GLU  92  15.096   1.762  -0.911
  742    H    ILE  93           H        ILE  93  14.400   1.019   4.387
  743    HA   ILE  93           HA       ILE  93  11.818   2.060   4.812
  744    HB   ILE  93           HB       ILE  93  13.633   0.669   6.763
  745   1HG1  ILE  93          1HG1      ILE  93  11.387  -0.481   5.096
  746   2HG1  ILE  93          2HG1      ILE  93  13.108  -0.706   4.799
  747   1HG2  ILE  93          1HG2      ILE  93  11.871   1.843   7.990
  748   2HG2  ILE  93          2HG2      ILE  93  11.566   0.107   8.059
  749   3HG2  ILE  93          3HG2      ILE  93  10.636   1.121   6.956
  750   1HD1  ILE  93          1HD1      ILE  93  13.319  -1.899   6.925
  751   2HD1  ILE  93          2HD1      ILE  93  12.130  -2.676   5.885
  752   3HD1  ILE  93          3HD1      ILE  93  11.602  -1.666   7.228
  753    H    GLU  94           H        GLU  94  14.912   2.948   6.244
  754    HA   GLU  94           HA       GLU  94  13.912   4.643   8.285
  755   1HB   GLU  94          1HB       GLU  94  16.272   3.897   8.163
  756   2HB   GLU  94          2HB       GLU  94  16.498   4.897   6.737
  757   1HG   GLU  94          1HG       GLU  94  15.947   6.886   8.117
  758   2HG   GLU  94          2HG       GLU  94  15.909   5.834   9.531
  759    H    ARG  95           H        ARG  95  14.945   5.284   5.023
  760    HA   ARG  95           HA       ARG  95  14.432   8.047   4.941
  761   1HB   ARG  95          1HB       ARG  95  15.936   6.714   3.413
  762   2HB   ARG  95          2HB       ARG  95  14.512   6.009   2.691
  763   1HG   ARG  95          1HG       ARG  95  15.009   8.971   2.644
  764   2HG   ARG  95          2HG       ARG  95  15.708   7.890   1.446
  765   1HD   ARG  95          1HD       ARG  95  12.758   8.157   2.018
  766   2HD   ARG  95          2HD       ARG  95  13.609   8.980   0.715
  767    HE   ARG  95           HE       ARG  95  14.113   6.243   0.462
  768   1HH1  ARG  95          1HH1      ARG  95  11.389   8.510   0.180
  769   2HH1  ARG  95          2HH1      ARG  95  10.546   7.555  -0.949
  770   1HH2  ARG  95          1HH2      ARG  95  12.979   5.005  -1.179
  771   2HH2  ARG  95          2HH2      ARG  95  11.447   5.550  -1.724
  772    H    ILE  96           H        ILE  96  12.588   5.198   4.066
  773    HA   ILE  96           HA       ILE  96  10.346   6.557   3.012
  774    HB   ILE  96           HB       ILE  96  10.764   3.684   3.880
  775   1HG1  ILE  96          1HG1      ILE  96  10.610   4.947   1.135
  776   2HG1  ILE  96          2HG1      ILE  96  12.078   4.421   1.944
  777   1HG2  ILE  96          1HG2      ILE  96   8.699   3.116   2.700
  778   2HG2  ILE  96          2HG2      ILE  96   8.440   4.820   2.334
  779   3HG2  ILE  96          3HG2      ILE  96   8.380   4.264   4.008
  780   1HD1  ILE  96          1HD1      ILE  96   9.810   2.642   1.060
  781   2HD1  ILE  96          2HD1      ILE  96  11.286   2.106   1.862
  782   3HD1  ILE  96          3HD1      ILE  96  11.368   2.825   0.253
  783    H    LEU  97           H        LEU  97  11.222   5.568   6.225
  784    HA   LEU  97           HA       LEU  97   8.651   5.674   7.409
  785   1HB   LEU  97          1HB       LEU  97  10.575   4.475   8.381
  786   2HB   LEU  97          2HB       LEU  97  11.388   5.999   8.643
  787    HG   LEU  97           HG       LEU  97   9.590   6.637  10.239
  788   1HD1  LEU  97          1HD1      LEU  97   8.095   4.890  11.085
  789   2HD1  LEU  97          2HD1      LEU  97   8.666   3.797   9.823
  790   3HD1  LEU  97          3HD1      LEU  97   7.786   5.262   9.390
  791   1HD2  LEU  97          1HD2      LEU  97  11.015   4.051  10.851
  792   2HD2  LEU  97          2HD2      LEU  97  10.352   5.175  12.039
  793   3HD2  LEU  97          3HD2      LEU  97  11.696   5.668  11.011
  794    H    GLU  98           H        GLU  98  11.117   8.012   6.708
  795    HA   GLU  98           HA       GLU  98   9.956  10.117   8.293
  796   1HB   GLU  98          1HB       GLU  98  12.381   9.973   7.524
  797   2HB   GLU  98          2HB       GLU  98  11.777  10.368   5.921
  798   1HG   GLU  98          1HG       GLU  98  10.817  12.446   6.796
  799   2HG   GLU  98          2HG       GLU  98  11.537  12.101   8.364
  800    H    VAL  99           H        VAL  99   9.771   8.854   5.116
  801    HA   VAL  99           HA       VAL  99   8.164  10.981   4.018
  802    HB   VAL  99           HB       VAL  99   9.295   8.398   2.877
  803   1HG1  VAL  99          1HG1      VAL  99   8.760   9.283   0.616
  804   2HG1  VAL  99          2HG1      VAL  99   7.992  10.691   1.347
  805   3HG1  VAL  99          3HG1      VAL  99   7.281   9.090   1.560
  806   1HG2  VAL  99          1HG2      VAL  99  10.145  11.257   2.493
  807   2HG2  VAL  99          2HG2      VAL  99  10.859   9.854   1.693
  808   3HG2  VAL  99          3HG2      VAL  99  10.972  10.024   3.445
  809    H    ALA 100           H        ALA 100   7.424   8.908   6.201
  810    HA   ALA 100           HA       ALA 100   5.352   7.240   5.435
  811   1HB   ALA 100          1HB       ALA 100   5.489   8.823   7.992
  812   2HB   ALA 100          2HB       ALA 100   6.308   7.289   7.705
  813   3HB   ALA 100          3HB       ALA 100   4.545   7.360   7.731
  814    H    GLU 101           H        GLU 101   5.108  10.615   6.377
  815    HA   GLU 101           HA       GLU 101   2.671  10.744   4.837
  816   1HB   GLU 101          1HB       GLU 101   3.098  11.919   7.581
  817   2HB   GLU 101          2HB       GLU 101   1.773  12.387   6.535
  818   1HG   GLU 101          1HG       GLU 101   0.890  10.124   6.636
  819   2HG   GLU 101          2HG       GLU 101   2.262   9.626   7.632
  820    HA   PRO 102           HA       PRO 102   5.727  13.994   3.605
  821   1HB   PRO 102          1HB       PRO 102   4.557  13.666   0.941
  822   2HB   PRO 102          2HB       PRO 102   6.226  13.410   1.460
  823   1HG   PRO 102          1HG       PRO 102   4.630  11.357   0.764
  824   2HG   PRO 102          2HG       PRO 102   5.845  11.213   2.046
  825   1HD   PRO 102          1HD       PRO 102   2.893  11.683   2.302
  826   2HD   PRO 102          2HD       PRO 102   3.938  10.546   3.186
  Start of MODEL   12
    1    H    HIS   1           H        HIS   1   1.641   6.808 -12.584
    2    HA   HIS   1           HA       HIS   1  -0.843   6.436 -11.068
    3   1HB   HIS   1          1HB       HIS   1   1.467   4.519 -11.516
    4   2HB   HIS   1          2HB       HIS   1   0.138   4.260 -10.400
    5    HD1  HIS   1           HD1      HIS   1   1.042   4.010 -14.013
    6    HD2  HIS   1           HD2      HIS   1  -2.325   3.630 -11.600
    7    HE1  HIS   1           HE1      HIS   1  -0.686   2.858 -15.408
    8    H    MET   2           H        MET   2  -0.543   7.979  -9.568
    9    HA   MET   2           HA       MET   2   1.387   7.490  -7.526
   10   1HB   MET   2          1HB       MET   2   1.288  10.171  -8.943
   11   2HB   MET   2          2HB       MET   2   2.017   9.908  -7.373
   12   1HG   MET   2          1HG       MET   2   3.676   8.420  -8.433
   13   2HG   MET   2          2HG       MET   2   2.956   8.775 -10.001
   14   1HE   MET   2          1HE       MET   2   3.619  12.663 -10.265
   15   2HE   MET   2          2HE       MET   2   2.210  11.923  -9.522
   16   3HE   MET   2          3HE       MET   2   2.863  11.269 -11.027
   17    H    THR   3           H        THR   3   0.275   7.715  -5.719
   18    HA   THR   3           HA       THR   3  -2.312   9.084  -5.835
   19    HB   THR   3           HB       THR   3  -1.233   7.087  -3.825
   20    HG1  THR   3           HG1      THR   3  -2.951   5.808  -4.882
   21   1HG2  THR   3          1HG2      THR   3  -4.035   8.148  -4.208
   22   2HG2  THR   3          2HG2      THR   3  -2.945   8.613  -2.904
   23   3HG2  THR   3          3HG2      THR   3  -3.528   6.952  -3.016
   24    H    PHE   4           H        PHE   4  -2.229  11.146  -5.085
   25    HA   PHE   4           HA       PHE   4  -0.699  11.494  -2.645
   26   1HB   PHE   4          1HB       PHE   4  -0.797  13.511  -4.894
   27   2HB   PHE   4          2HB       PHE   4  -0.124  13.854  -3.305
   28    HD1  PHE   4           HD1      PHE   4   0.685  12.794  -6.527
   29    HD2  PHE   4           HD2      PHE   4   1.588  12.079  -2.444
   30    HE1  PHE   4           HE1      PHE   4   2.790  11.732  -7.174
   31    HE2  PHE   4           HE2      PHE   4   3.694  11.016  -3.093
   32    HZ   PHE   4           HZ       PHE   4   4.278  10.811  -5.441
   33    H    CYS   5           H        CYS   5  -3.597  11.254  -3.549
   34    HA   CYS   5           HA       CYS   5  -4.561  13.140  -1.580
   35   1HB   CYS   5          1HB       CYS   5  -5.753  12.744  -4.336
   36   2HB   CYS   5          2HB       CYS   5  -6.566  13.617  -3.048
   37    HG   CYS   5           HG       CYS   5  -3.622  14.890  -3.283
   38    H    LEU   6           H        LEU   6  -5.225  11.678  -0.018
   39    HA   LEU   6           HA       LEU   6  -5.971   9.121  -0.892
   40   1HB   LEU   6          1HB       LEU   6  -5.958   8.297   1.304
   41   2HB   LEU   6          2HB       LEU   6  -4.641   9.429   1.214
   42    HG   LEU   6           HG       LEU   6  -5.491   9.588   3.342
   43   1HD1  LEU   6          1HD1      LEU   6  -6.784  11.872   1.942
   44   2HD1  LEU   6          2HD1      LEU   6  -5.112  11.769   2.493
   45   3HD1  LEU   6          3HD1      LEU   6  -6.430  11.791   3.664
   46   1HD2  LEU   6          1HD2      LEU   6  -7.530   8.347   3.163
   47   2HD2  LEU   6          2HD2      LEU   6  -8.297   9.640   2.247
   48   3HD2  LEU   6          3HD2      LEU   6  -7.902   9.885   3.945
   49    H    GLU   7           H        GLU   7  -7.577  11.927   0.354
   50    HA   GLU   7           HA       GLU   7 -10.065  10.715   0.936
   51   1HB   GLU   7          1HB       GLU   7  -9.447  12.655   2.119
   52   2HB   GLU   7          2HB       GLU   7  -9.141  13.594   0.691
   53   1HG   GLU   7          1HG       GLU   7 -11.173  14.410   1.574
   54   2HG   GLU   7          2HG       GLU   7 -11.633  13.341   0.246
   55    H    THR   8           H        THR   8  -8.570  12.015  -1.878
   56    HA   THR   8           HA       THR   8 -10.974  12.208  -3.360
   57    HB   THR   8           HB       THR   8  -8.143  12.029  -4.426
   58    HG1  THR   8           HG1      THR   8  -9.521  14.444  -4.099
   59   1HG2  THR   8          1HG2      THR   8  -9.895  11.780  -6.132
   60   2HG2  THR   8          2HG2      THR   8  -9.070  13.331  -6.305
   61   3HG2  THR   8          3HG2      THR   8 -10.665  13.259  -5.563
   62    H    TYR   9           H        TYR   9  -8.710   9.687  -2.538
   63    HA   TYR   9           HA       TYR   9  -9.442   7.944  -4.655
   64   1HB   TYR   9          1HB       TYR   9  -7.520   7.905  -2.558
   65   2HB   TYR   9          2HB       TYR   9  -8.476   6.426  -2.451
   66    HD1  TYR   9           HD1      TYR   9  -6.256   8.407  -4.567
   67    HD2  TYR   9           HD2      TYR   9  -8.397   4.767  -4.173
   68    HE1  TYR   9           HE1      TYR   9  -5.028   7.491  -6.484
   69    HE2  TYR   9           HE2      TYR   9  -7.172   3.833  -6.081
   70    HH   TYR   9           HH       TYR   9  -4.408   5.111  -7.264
   71    H    LEU  10           H        LEU  10 -10.698   8.770  -1.613
   72    HA   LEU  10           HA       LEU  10 -12.354   6.578  -1.062
   73   1HB   LEU  10          1HB       LEU  10 -11.865   8.828   0.355
   74   2HB   LEU  10          2HB       LEU  10 -13.144   9.440  -0.610
   75    HG   LEU  10           HG       LEU  10 -13.633   7.026   1.117
   76   1HD1  LEU  10          1HD1      LEU  10 -14.556   8.575   2.774
   77   2HD1  LEU  10          2HD1      LEU  10 -13.935   9.932   1.834
   78   3HD1  LEU  10          3HD1      LEU  10 -12.818   8.778   2.563
   79   1HD2  LEU  10          1HD2      LEU  10 -15.463   9.150  -0.011
   80   2HD2  LEU  10          2HD2      LEU  10 -15.952   7.784   0.992
   81   3HD2  LEU  10          3HD2      LEU  10 -15.299   7.504  -0.624
   82    H    GLN  11           H        GLN  11 -12.714   9.466  -3.001
   83    HA   GLN  11           HA       GLN  11 -15.394   9.139  -3.867
   84   1HB   GLN  11          1HB       GLN  11 -13.105  10.646  -5.110
   85   2HB   GLN  11          2HB       GLN  11 -14.805  10.862  -5.485
   86   1HG   GLN  11          1HG       GLN  11 -15.218  11.746  -3.299
   87   2HG   GLN  11          2HG       GLN  11 -13.569  11.372  -2.797
   88   1HE2  GLN  11          1HE2      GLN  11 -13.128  13.485  -2.326
   89   2HE2  GLN  11          2HE2      GLN  11 -12.885  14.684  -3.548
   90    H    GLN  12           H        GLN  12 -12.245   8.208  -5.061
   91    HA   GLN  12           HA       GLN  12 -13.168   7.491  -7.619
   92   1HB   GLN  12          1HB       GLN  12 -10.555   6.938  -6.249
   93   2HB   GLN  12          2HB       GLN  12 -10.911   6.393  -7.878
   94   1HG   GLN  12          1HG       GLN  12 -11.277   8.735  -8.553
   95   2HG   GLN  12          2HG       GLN  12 -10.830   9.244  -6.926
   96   1HE2  GLN  12          1HE2      GLN  12  -9.706   7.836  -9.886
   97   2HE2  GLN  12          2HE2      GLN  12  -8.018   8.063  -9.593
   98    H    SER  13           H        SER  13 -12.686   5.712  -4.623
   99    HA   SER  13           HA       SER  13 -14.203   3.591  -5.734
  100   1HB   SER  13          1HB       SER  13 -11.942   3.132  -6.692
  101   2HB   SER  13          2HB       SER  13 -11.306   3.017  -5.057
  102    HG   SER  13           HG       SER  13 -12.523   1.172  -4.725
  103    H    GLY  14           H        GLY  14 -11.812   4.317  -3.229
  104   1HA   GLY  14          1HA       GLY  14 -13.450   4.377  -1.072
  105   2HA   GLY  14          2HA       GLY  14 -13.000   2.678  -1.274
  106    H    GLU  15           H        GLU  15 -12.116   3.765   0.935
  107    HA   GLU  15           HA       GLU  15  -9.617   5.058   0.531
  108   1HB   GLU  15          1HB       GLU  15 -10.834   3.920   3.037
  109   2HB   GLU  15          2HB       GLU  15  -9.385   4.917   2.980
  110   1HG   GLU  15          1HG       GLU  15 -10.669   6.764   2.088
  111   2HG   GLU  15          2HG       GLU  15 -12.120   5.764   2.075
  112    H    TYR  16           H        TYR  16  -7.635   4.285   0.726
  113    HA   TYR  16           HA       TYR  16  -7.121   1.462   1.353
  114   1HB   TYR  16          1HB       TYR  16  -7.248   1.711  -1.098
  115   2HB   TYR  16          2HB       TYR  16  -6.143   3.065  -1.039
  116    HD1  TYR  16           HD1      TYR  16  -3.791   2.713  -1.080
  117    HD2  TYR  16           HD2      TYR  16  -6.407  -0.608  -0.657
  118    HE1  TYR  16           HE1      TYR  16  -1.921   1.191  -1.554
  119    HE2  TYR  16           HE2      TYR  16  -4.540  -2.139  -1.131
  120    HH   TYR  16           HH       TYR  16  -1.279  -1.126  -1.202
  121    H    GLU  17           H        GLU  17  -6.828   4.462   2.305
  122    HA   GLU  17           HA       GLU  17  -4.231   4.313   3.416
  123   1HB   GLU  17          1HB       GLU  17  -5.145   6.609   1.658
  124   2HB   GLU  17          2HB       GLU  17  -3.647   6.582   2.571
  125   1HG   GLU  17          1HG       GLU  17  -2.755   4.885   1.135
  126   2HG   GLU  17          2HG       GLU  17  -4.322   4.694   0.347
  127    H    ILE  18           H        ILE  18  -4.370   5.621   5.310
  128    HA   ILE  18           HA       ILE  18  -7.069   6.382   5.964
  129    HB   ILE  18           HB       ILE  18  -5.690   5.133   7.673
  130   1HG1  ILE  18          1HG1      ILE  18  -6.704   7.811   8.666
  131   2HG1  ILE  18          2HG1      ILE  18  -7.714   6.407   8.344
  132   1HG2  ILE  18          1HG2      ILE  18  -3.562   6.119   7.461
  133   2HG2  ILE  18          2HG2      ILE  18  -4.141   6.502   9.087
  134   3HG2  ILE  18          3HG2      ILE  18  -4.196   7.726   7.822
  135   1HD1  ILE  18          1HD1      ILE  18  -6.564   5.183  10.113
  136   2HD1  ILE  18          2HD1      ILE  18  -7.280   6.676  10.715
  137   3HD1  ILE  18          3HD1      ILE  18  -5.543   6.589  10.418
  138    H    HIS  19           H        HIS  19  -7.497   8.576   7.076
  139    HA   HIS  19           HA       HIS  19  -6.623  10.624   5.338
  140   1HB   HIS  19          1HB       HIS  19  -8.884  10.689   6.333
  141   2HB   HIS  19          2HB       HIS  19  -8.178  10.897   7.932
  142    HD1  HIS  19           HD1      HIS  19  -7.582  13.273   8.621
  143    HD2  HIS  19           HD2      HIS  19  -8.509  12.934   4.589
  144    HE1  HIS  19           HE1      HIS  19  -7.620  15.629   7.714
  145    H    MET  20           H        MET  20  -4.609  10.273   5.622
  146    HA   MET  20           HA       MET  20  -3.241  12.140   7.393
  147   1HB   MET  20          1HB       MET  20  -2.752   9.227   7.043
  148   2HB   MET  20          2HB       MET  20  -1.353  10.215   7.413
  149   1HG   MET  20          1HG       MET  20  -3.846  10.005   9.123
  150   2HG   MET  20          2HG       MET  20  -2.471   8.935   9.307
  151   1HE   MET  20          1HE       MET  20  -2.578  13.410  10.556
  152   2HE   MET  20          2HE       MET  20  -3.900  12.565   9.737
  153   3HE   MET  20          3HE       MET  20  -2.446  13.042   8.850
  154    H    LYS  21           H        LYS  21  -0.650  11.866   6.297
  155    HA   LYS  21           HA       LYS  21  -1.299  12.692   3.602
  156   1HB   LYS  21          1HB       LYS  21   1.247  13.139   5.177
  157   2HB   LYS  21          2HB       LYS  21   1.011  13.660   3.511
  158   1HG   LYS  21          1HG       LYS  21  -1.006  14.938   4.312
  159   2HG   LYS  21          2HG       LYS  21  -0.480  14.580   5.948
  160   1HD   LYS  21          1HD       LYS  21   1.191  16.060   3.912
  161   2HD   LYS  21          2HD       LYS  21   0.136  16.851   5.069
  162   1HE   LYS  21          1HE       LYS  21   2.337  16.977   5.953
  163   2HE   LYS  21          2HE       LYS  21   1.499  15.745   6.885
  164   1HZ   LYS  21          1HZ       LYS  21   3.800  15.304   6.199
  165   2HZ   LYS  21          2HZ       LYS  21   3.293  15.054   4.607
  166   3HZ   LYS  21          3HZ       LYS  21   2.735  14.075   5.906
  167    H    ARG  22           H        ARG  22  -1.142  11.474   2.000
  168    HA   ARG  22           HA       ARG  22   0.338   9.004   2.239
  169   1HB   ARG  22          1HB       ARG  22  -1.370   8.078   0.864
  170   2HB   ARG  22          2HB       ARG  22  -2.169   9.160   1.959
  171   1HG   ARG  22          1HG       ARG  22  -1.625   9.591  -0.958
  172   2HG   ARG  22          2HG       ARG  22  -3.178   9.371  -0.182
  173   1HD   ARG  22          1HD       ARG  22  -1.330  11.745  -0.011
  174   2HD   ARG  22          2HD       ARG  22  -2.883  11.668  -0.811
  175    HE   ARG  22           HE       ARG  22  -3.240  11.174   1.930
  176   1HH1  ARG  22          1HH1      ARG  22  -2.440  13.844  -0.343
  177   2HH1  ARG  22          2HH1      ARG  22  -2.917  15.059   0.720
  178   1HH2  ARG  22          1HH2      ARG  22  -3.833  12.988   3.425
  179   2HH2  ARG  22          2HH2      ARG  22  -3.721  14.580   2.866
  180    H    ALA  23           H        ALA  23   1.563   8.305   0.482
  181    HA   ALA  23           HA       ALA  23   1.935  10.027  -1.753
  182   1HB   ALA  23          1HB       ALA  23   3.638  10.906  -0.254
  183   2HB   ALA  23          2HB       ALA  23   4.462   9.950  -1.496
  184   3HB   ALA  23          3HB       ALA  23   4.200   9.281   0.111
  185    H    GLY  24           H        GLY  24   0.895   8.225  -2.686
  186   1HA   GLY  24          1HA       GLY  24   2.249   5.633  -2.505
  187   2HA   GLY  24          2HA       GLY  24   0.599   5.909  -3.062
  188    H    PHE  25           H        PHE  25   4.004   6.172  -3.950
  189    HA   PHE  25           HA       PHE  25   3.427   7.032  -6.610
  190   1HB   PHE  25          1HB       PHE  25   5.944   5.786  -5.474
  191   2HB   PHE  25          2HB       PHE  25   5.812   6.457  -7.086
  192    HD1  PHE  25           HD1      PHE  25   5.612   7.324  -3.480
  193    HD2  PHE  25           HD2      PHE  25   6.231   8.718  -7.450
  194    HE1  PHE  25           HE1      PHE  25   6.363   9.496  -2.601
  195    HE2  PHE  25           HE2      PHE  25   6.978  10.886  -6.575
  196    HZ   PHE  25           HZ       PHE  25   7.043  11.274  -4.141
  197    H    ARG  26           H        ARG  26   5.203   4.104  -5.911
  198    HA   ARG  26           HA       ARG  26   4.299   2.908  -8.315
  199   1HB   ARG  26          1HB       ARG  26   5.862   1.843  -6.019
  200   2HB   ARG  26          2HB       ARG  26   5.469   0.887  -7.436
  201   1HG   ARG  26          1HG       ARG  26   6.885   3.512  -7.643
  202   2HG   ARG  26          2HG       ARG  26   7.723   2.000  -7.280
  203   1HD   ARG  26          1HD       ARG  26   7.847   2.399  -9.665
  204   2HD   ARG  26          2HD       ARG  26   6.771   1.039  -9.376
  205    HE   ARG  26           HE       ARG  26   5.687   3.732  -9.791
  206   1HH1  ARG  26          1HH1      ARG  26   5.849   0.327 -10.823
  207   2HH1  ARG  26          2HH1      ARG  26   4.806   0.566 -12.143
  208   1HH2  ARG  26          1HH2      ARG  26   4.239   4.003 -11.595
  209   2HH2  ARG  26          2HH2      ARG  26   3.869   2.655 -12.592
  210    H    GLU  27           H        GLU  27   3.262   2.492  -4.908
  211    HA   GLU  27           HA       GLU  27   1.860   0.116  -5.538
  212   1HB   GLU  27          1HB       GLU  27   2.600   0.821  -3.243
  213   2HB   GLU  27          2HB       GLU  27   1.291   2.003  -3.262
  214   1HG   GLU  27          1HG       GLU  27   0.549   0.122  -1.982
  215   2HG   GLU  27          2HG       GLU  27  -0.273  -0.011  -3.559
  216    H    CYS  28           H        CYS  28   1.272   3.477  -6.232
  217    HA   CYS  28           HA       CYS  28  -1.470   3.536  -6.231
  218   1HB   CYS  28          1HB       CYS  28  -0.041   5.487  -6.689
  219   2HB   CYS  28          2HB       CYS  28   0.316   4.831  -8.281
  220    HG   CYS  28           HG       CYS  28  -2.352   6.358  -7.095
  221    H    ALA  29           H        ALA  29   0.803   2.110  -8.511
  222    HA   ALA  29           HA       ALA  29  -1.058   1.562 -10.610
  223   1HB   ALA  29          1HB       ALA  29   1.346   1.734 -11.037
  224   2HB   ALA  29          2HB       ALA  29   0.716   0.148 -11.500
  225   3HB   ALA  29          3HB       ALA  29   1.619   0.337  -9.996
  226    H    ALA  30           H        ALA  30   0.280  -0.148  -7.944
  227    HA   ALA  30           HA       ALA  30  -0.846  -2.651  -8.327
  228   1HB   ALA  30          1HB       ALA  30  -0.212  -1.230  -5.809
  229   2HB   ALA  30          2HB       ALA  30   0.941  -2.069  -6.839
  230   3HB   ALA  30          3HB       ALA  30  -0.358  -2.968  -6.048
  231    H    MET  31           H        MET  31  -1.936   0.104  -6.387
  232    HA   MET  31           HA       MET  31  -4.073  -1.180  -5.212
  233   1HB   MET  31          1HB       MET  31  -4.992   1.009  -4.576
  234   2HB   MET  31          2HB       MET  31  -3.269   0.899  -4.279
  235   1HG   MET  31          1HG       MET  31  -2.892   2.152  -6.373
  236   2HG   MET  31          2HG       MET  31  -4.629   2.335  -6.532
  237   1HE   MET  31          1HE       MET  31  -1.474   3.227  -4.269
  238   2HE   MET  31          2HE       MET  31  -2.583   2.520  -3.096
  239   3HE   MET  31          3HE       MET  31  -2.229   4.242  -3.042
  240    H    ILE  32           H        ILE  32  -3.908   0.270  -8.349
  241    HA   ILE  32           HA       ILE  32  -6.644   0.436  -8.948
  242    HB   ILE  32           HB       ILE  32  -4.304  -0.261 -10.744
  243   1HG1  ILE  32          1HG1      ILE  32  -3.954   1.883  -9.691
  244   2HG1  ILE  32          2HG1      ILE  32  -4.338   2.128 -11.389
  245   1HG2  ILE  32          1HG2      ILE  32  -7.051   0.747 -11.518
  246   2HG2  ILE  32          2HG2      ILE  32  -6.428  -0.878 -11.791
  247   3HG2  ILE  32          3HG2      ILE  32  -5.700   0.494 -12.627
  248   1HD1  ILE  32          1HD1      ILE  32  -6.208   2.512  -9.061
  249   2HD1  ILE  32          2HD1      ILE  32  -6.633   2.722 -10.757
  250   3HD1  ILE  32          3HD1      ILE  32  -5.433   3.778 -10.011
  251    H    GLU  33           H        GLU  33  -4.344  -2.165  -9.139
  252    HA   GLU  33           HA       GLU  33  -6.207  -4.050 -10.247
  253   1HB   GLU  33          1HB       GLU  33  -3.422  -4.445  -9.161
  254   2HB   GLU  33          2HB       GLU  33  -4.333  -5.585 -10.145
  255   1HG   GLU  33          1HG       GLU  33  -3.540  -2.840 -11.054
  256   2HG   GLU  33          2HG       GLU  33  -2.622  -4.307 -11.380
  257    H    LYS  34           H        LYS  34  -4.821  -3.268  -7.136
  258    HA   LYS  34           HA       LYS  34  -5.655  -5.576  -5.735
  259   1HB   LYS  34          1HB       LYS  34  -4.729  -2.862  -4.896
  260   2HB   LYS  34          2HB       LYS  34  -5.260  -4.010  -3.688
  261   1HG   LYS  34          1HG       LYS  34  -3.560  -5.484  -4.075
  262   2HG   LYS  34          2HG       LYS  34  -3.270  -4.968  -5.725
  263   1HD   LYS  34          1HD       LYS  34  -2.197  -2.905  -4.772
  264   2HD   LYS  34          2HD       LYS  34  -2.429  -3.595  -3.158
  265   1HE   LYS  34          1HE       LYS  34  -1.164  -5.603  -3.856
  266   2HE   LYS  34          2HE       LYS  34  -0.895  -4.887  -5.425
  267   1HZ   LYS  34          1HZ       LYS  34   1.012  -4.748  -3.853
  268   2HZ   LYS  34          2HZ       LYS  34   0.162  -3.618  -2.915
  269   3HZ   LYS  34          3HZ       LYS  34   0.579  -3.257  -4.423
  270    H    LYS  35           H        LYS  35  -7.367  -3.013  -6.914
  271    HA   LYS  35           HA       LYS  35  -9.516  -2.887  -5.074
  272   1HB   LYS  35          1HB       LYS  35  -9.163  -1.075  -6.586
  273   2HB   LYS  35          2HB       LYS  35  -9.173  -2.145  -7.975
  274   1HG   LYS  35          1HG       LYS  35 -11.554  -2.592  -7.581
  275   2HG   LYS  35          2HG       LYS  35 -11.519  -1.453  -6.235
  276   1HD   LYS  35          1HD       LYS  35 -10.999   0.355  -7.694
  277   2HD   LYS  35          2HD       LYS  35 -10.761  -0.749  -9.053
  278   1HE   LYS  35          1HE       LYS  35 -12.937   0.414  -9.110
  279   2HE   LYS  35          2HE       LYS  35 -13.087  -1.341  -9.041
  280   1HZ   LYS  35          1HZ       LYS  35 -14.615  -0.162  -7.543
  281   2HZ   LYS  35          2HZ       LYS  35 -13.290   0.439  -6.678
  282   3HZ   LYS  35          3HZ       LYS  35 -13.591  -1.209  -6.728
  283    H    ALA  36           H        ALA  36  -8.597  -5.073  -7.606
  284    HA   ALA  36           HA       ALA  36 -11.149  -6.112  -8.252
  285   1HB   ALA  36          1HB       ALA  36  -9.213  -6.384  -9.712
  286   2HB   ALA  36          2HB       ALA  36  -9.905  -7.952  -9.283
  287   3HB   ALA  36          3HB       ALA  36  -8.432  -7.392  -8.496
  288    H    ARG  37           H        ARG  37  -8.561  -7.338  -6.202
  289    HA   ARG  37           HA       ARG  37 -10.311  -8.305  -4.193
  290   1HB   ARG  37          1HB       ARG  37 -10.616 -10.166  -5.802
  291   2HB   ARG  37          2HB       ARG  37  -8.864 -10.360  -5.864
  292   1HG   ARG  37          1HG       ARG  37  -8.830 -10.947  -3.492
  293   2HG   ARG  37          2HG       ARG  37 -10.584 -10.793  -3.432
  294   1HD   ARG  37          1HD       ARG  37  -9.092 -12.705  -5.216
  295   2HD   ARG  37          2HD       ARG  37  -9.761 -13.137  -3.644
  296    HE   ARG  37           HE       ARG  37 -11.792 -12.015  -5.155
  297   1HH1  ARG  37          1HH1      ARG  37  -9.723 -14.876  -5.318
  298   2HH1  ARG  37          2HH1      ARG  37 -10.900 -15.869  -6.049
  299   1HH2  ARG  37          1HH2      ARG  37 -13.411 -13.376  -6.157
  300   2HH2  ARG  37          2HH2      ARG  37 -13.052 -14.998  -6.517
  301    H    ARG  38           H        ARG  38  -7.252  -9.431  -5.553
  302    HA   ARG  38           HA       ARG  38  -5.739  -8.036  -3.651
  303   1HB   ARG  38          1HB       ARG  38  -6.469  -9.909  -2.233
  304   2HB   ARG  38          2HB       ARG  38  -5.933 -11.057  -3.436
  305   1HG   ARG  38          1HG       ARG  38  -3.626 -10.448  -3.080
  306   2HG   ARG  38          2HG       ARG  38  -4.099  -9.186  -1.943
  307   1HD   ARG  38          1HD       ARG  38  -3.337 -11.181  -0.763
  308   2HD   ARG  38          2HD       ARG  38  -5.046 -10.893  -0.452
  309    HE   ARG  38           HE       ARG  38  -4.532 -12.673  -2.632
  310   1HH1  ARG  38          1HH1      ARG  38  -4.892 -12.538   0.917
  311   2HH1  ARG  38          2HH1      ARG  38  -5.400 -14.155   1.034
  312   1HH2  ARG  38          1HH2      ARG  38  -5.221 -14.903  -2.419
  313   2HH2  ARG  38          2HH2      ARG  38  -5.595 -15.515  -0.888
  314    H    VAL  39           H        VAL  39  -3.890  -7.592  -4.749
  315    HA   VAL  39           HA       VAL  39  -2.957  -9.477  -6.782
  316    HB   VAL  39           HB       VAL  39  -3.375  -6.482  -7.201
  317   1HG1  VAL  39          1HG1      VAL  39  -1.308  -7.193  -8.333
  318   2HG1  VAL  39          2HG1      VAL  39  -2.562  -6.814  -9.513
  319   3HG1  VAL  39          3HG1      VAL  39  -2.188  -8.493  -9.133
  320   1HG2  VAL  39          1HG2      VAL  39  -4.644  -8.846  -8.578
  321   2HG2  VAL  39          2HG2      VAL  39  -4.914  -7.155  -8.997
  322   3HG2  VAL  39          3HG2      VAL  39  -5.419  -7.765  -7.424
  323    H    VAL  40           H        VAL  40  -0.667  -9.079  -7.355
  324    HA   VAL  40           HA       VAL  40   0.851  -7.944  -5.126
  325    HB   VAL  40           HB       VAL  40   1.239 -10.354  -5.463
  326   1HG1  VAL  40          1HG1      VAL  40   0.624 -10.569  -7.784
  327   2HG1  VAL  40          2HG1      VAL  40   2.237 -11.234  -7.520
  328   3HG1  VAL  40          3HG1      VAL  40   2.048  -9.649  -8.273
  329   1HG2  VAL  40          1HG2      VAL  40   3.681 -10.370  -5.752
  330   2HG2  VAL  40          2HG2      VAL  40   3.166  -9.018  -4.738
  331   3HG2  VAL  40          3HG2      VAL  40   3.606  -8.740  -6.419
  332    H    HIS  41           H        HIS  41   2.536  -6.482  -5.540
  333    HA   HIS  41           HA       HIS  41   2.904  -5.699  -8.305
  334   1HB   HIS  41          1HB       HIS  41   1.291  -4.122  -7.253
  335   2HB   HIS  41          2HB       HIS  41   2.487  -3.753  -6.021
  336    HD1  HIS  41           HD1      HIS  41   1.676  -3.036  -9.691
  337    HD2  HIS  41           HD2      HIS  41   4.357  -1.806  -6.756
  338    HE1  HIS  41           HE1      HIS  41   3.030  -1.201 -10.690
  339    H    ILE  42           H        ILE  42   4.906  -5.702  -8.719
  340    HA   ILE  42           HA       ILE  42   6.825  -5.950  -6.583
  341    HB   ILE  42           HB       ILE  42   7.007  -6.398  -9.580
  342   1HG1  ILE  42          1HG1      ILE  42   7.656  -8.750  -8.862
  343   2HG1  ILE  42          2HG1      ILE  42   7.179  -8.303  -7.241
  344   1HG2  ILE  42          1HG2      ILE  42   9.129  -5.475  -8.909
  345   2HG2  ILE  42          2HG2      ILE  42   9.321  -7.189  -9.274
  346   3HG2  ILE  42          3HG2      ILE  42   9.263  -6.644  -7.595
  347   1HD1  ILE  42          1HD1      ILE  42   4.890  -7.921  -8.047
  348   2HD1  ILE  42          2HD1      ILE  42   5.438  -9.573  -8.336
  349   3HD1  ILE  42          3HD1      ILE  42   5.390  -8.415  -9.664
  350    H    LYS  43           H        LYS  43   8.470  -4.512  -6.279
  351    HA   LYS  43           HA       LYS  43   9.605  -2.550  -6.243
  352   1HB   LYS  43          1HB       LYS  43   8.378  -2.068  -8.971
  353   2HB   LYS  43          2HB       LYS  43   9.488  -0.951  -8.204
  354   1HG   LYS  43          1HG       LYS  43  11.215  -2.679  -8.227
  355   2HG   LYS  43          2HG       LYS  43  10.092  -3.788  -9.011
  356   1HD   LYS  43          1HD       LYS  43   9.923  -2.301 -10.920
  357   2HD   LYS  43          2HD       LYS  43  10.986  -1.135 -10.131
  358   1HE   LYS  43          1HE       LYS  43  12.775  -2.826 -10.106
  359   2HE   LYS  43          2HE       LYS  43  11.708  -3.946 -10.948
  360   1HZ   LYS  43          1HZ       LYS  43  11.670  -2.462 -12.839
  361   2HZ   LYS  43          2HZ       LYS  43  13.263  -2.802 -12.428
  362   3HZ   LYS  43          3HZ       LYS  43  12.593  -1.320 -12.016
  363    HA   PRO  44           HA       PRO  44   5.550  -0.310  -5.361
  364   1HB   PRO  44          1HB       PRO  44   5.206  -1.048  -2.673
  365   2HB   PRO  44          2HB       PRO  44   4.261  -1.630  -4.039
  366   1HG   PRO  44          1HG       PRO  44   6.160  -3.063  -2.454
  367   2HG   PRO  44          2HG       PRO  44   5.187  -3.661  -3.809
  368   1HD   PRO  44          1HD       PRO  44   8.000  -2.928  -3.705
  369   2HD   PRO  44          2HD       PRO  44   7.110  -3.817  -4.951
  370    H    GLY  45           H        GLY  45   5.549   1.654  -4.369
  371   1HA   GLY  45          1HA       GLY  45   7.706   2.353  -2.537
  372   2HA   GLY  45          2HA       GLY  45   7.664   3.173  -4.106
  373    H    GLU  46           H        GLU  46   5.211   2.148  -1.819
  374    HA   GLU  46           HA       GLU  46   4.125   4.792  -2.013
  375   1HB   GLU  46          1HB       GLU  46   2.047   3.763  -1.704
  376   2HB   GLU  46          2HB       GLU  46   3.005   2.601  -2.469
  377   1HG   GLU  46          1HG       GLU  46   2.730   2.463   0.511
  378   2HG   GLU  46          2HG       GLU  46   1.596   1.685  -0.581
  379    H    LYS  47           H        LYS  47   4.217   6.099  -0.420
  380    HA   LYS  47           HA       LYS  47   5.051   5.169   2.229
  381   1HB   LYS  47          1HB       LYS  47   5.374   7.820   0.961
  382   2HB   LYS  47          2HB       LYS  47   6.037   7.320   2.511
  383   1HG   LYS  47          1HG       LYS  47   7.492   5.760   1.467
  384   2HG   LYS  47          2HG       LYS  47   6.800   6.095  -0.125
  385   1HD   LYS  47          1HD       LYS  47   8.127   8.026   1.663
  386   2HD   LYS  47          2HD       LYS  47   8.888   7.203   0.267
  387   1HE   LYS  47          1HE       LYS  47   7.310   8.302  -1.219
  388   2HE   LYS  47          2HE       LYS  47   6.459   9.026   0.135
  389   1HZ   LYS  47          1HZ       LYS  47   8.532  10.168   0.700
  390   2HZ   LYS  47          2HZ       LYS  47   7.832  10.684  -0.720
  391   3HZ   LYS  47          3HZ       LYS  47   9.196   9.705  -0.772
  392    H    ILE  48           H        ILE  48   3.055   4.821   2.140
  393    HA   ILE  48           HA       ILE  48   1.130   6.964   2.102
  394    HB   ILE  48           HB       ILE  48  -0.677   5.295   2.282
  395   1HG1  ILE  48          1HG1      ILE  48   1.552   3.236   2.158
  396   2HG1  ILE  48          2HG1      ILE  48   0.581   3.573   3.584
  397   1HG2  ILE  48          1HG2      ILE  48  -0.311   4.292   0.070
  398   2HG2  ILE  48          2HG2      ILE  48   1.386   4.770   0.157
  399   3HG2  ILE  48          3HG2      ILE  48   0.124   6.001   0.121
  400   1HD1  ILE  48          1HD1      ILE  48  -1.421   2.818   2.401
  401   2HD1  ILE  48          2HD1      ILE  48  -0.182   1.561   2.435
  402   3HD1  ILE  48          3HD1      ILE  48  -0.450   2.495   0.964
  403    H    LEU  49           H        LEU  49   0.980   8.161   3.694
  404    HA   LEU  49           HA       LEU  49   0.420   9.037   5.617
  405   1HB   LEU  49          1HB       LEU  49  -0.342   6.347   6.724
  406   2HB   LEU  49          2HB       LEU  49  -0.908   7.908   7.243
  407    HG   LEU  49           HG       LEU  49  -2.750   7.249   6.151
  408   1HD1  LEU  49          1HD1      LEU  49  -2.141   9.193   4.971
  409   2HD1  LEU  49          2HD1      LEU  49  -3.005   8.067   3.933
  410   3HD1  LEU  49          3HD1      LEU  49  -1.251   8.232   3.790
  411   1HD2  LEU  49          1HD2      LEU  49  -2.836   5.672   4.255
  412   2HD2  LEU  49          2HD2      LEU  49  -2.033   5.016   5.677
  413   3HD2  LEU  49          3HD2      LEU  49  -1.075   5.570   4.304
  414    H    GLY  50           H        GLY  50   2.839   6.991   5.353
  415   1HA   GLY  50          1HA       GLY  50   4.884   7.006   6.579
  416   2HA   GLY  50          2HA       GLY  50   4.014   7.713   7.948
  417    H    ALA  51           H        ALA  51   1.838   5.798   7.544
  418    HA   ALA  51           HA       ALA  51   2.939   3.236   8.341
  419   1HB   ALA  51          1HB       ALA  51   2.374   4.406  10.430
  420   2HB   ALA  51          2HB       ALA  51   1.212   3.116  10.127
  421   3HB   ALA  51          3HB       ALA  51   0.777   4.792   9.795
  422    H    ARG  52           H        ARG  52   1.959   1.773   7.119
  423    HA   ARG  52           HA       ARG  52  -0.013   2.603   5.239
  424   1HB   ARG  52          1HB       ARG  52   0.148   0.282   4.353
  425   2HB   ARG  52          2HB       ARG  52   1.707   1.075   4.494
  426   1HG   ARG  52          1HG       ARG  52   1.991  -0.147   6.678
  427   2HG   ARG  52          2HG       ARG  52   0.556  -1.074   6.247
  428   1HD   ARG  52          1HD       ARG  52   3.134  -0.911   4.699
  429   2HD   ARG  52          2HD       ARG  52   2.580  -2.276   5.663
  430    HE   ARG  52           HE       ARG  52   1.186  -1.343   3.236
  431   1HH1  ARG  52          1HH1      ARG  52   2.479  -4.013   5.236
  432   2HH1  ARG  52          2HH1      ARG  52   2.089  -5.208   4.125
  433   1HH2  ARG  52          1HH2      ARG  52   0.696  -3.024   1.693
  434   2HH2  ARG  52          2HH2      ARG  52   1.049  -4.659   2.077
  435    H    ILE  53           H        ILE  53  -1.989   3.009   5.903
  436    HA   ILE  53           HA       ILE  53  -3.412   0.949   7.422
  437    HB   ILE  53           HB       ILE  53  -3.765   3.956   7.568
  438   1HG1  ILE  53          1HG1      ILE  53  -2.503   2.115   9.634
  439   2HG1  ILE  53          2HG1      ILE  53  -1.624   3.243   8.619
  440   1HG2  ILE  53          1HG2      ILE  53  -4.993   1.725   9.213
  441   2HG2  ILE  53          2HG2      ILE  53  -5.824   2.733   8.023
  442   3HG2  ILE  53          3HG2      ILE  53  -5.223   3.445   9.516
  443   1HD1  ILE  53          1HD1      ILE  53  -3.669   3.988  10.698
  444   2HD1  ILE  53          2HD1      ILE  53  -2.707   5.110   9.728
  445   3HD1  ILE  53          3HD1      ILE  53  -1.921   4.057  10.901
  446    H    ILE  54           H        ILE  54  -5.281   0.403   6.375
  447    HA   ILE  54           HA       ILE  54  -5.760   1.410   3.722
  448    HB   ILE  54           HB       ILE  54  -7.439  -0.452   5.454
  449   1HG1  ILE  54          1HG1      ILE  54  -5.204  -1.378   5.127
  450   2HG1  ILE  54          2HG1      ILE  54  -6.393  -2.310   4.224
  451   1HG2  ILE  54          1HG2      ILE  54  -7.514  -0.123   2.462
  452   2HG2  ILE  54          2HG2      ILE  54  -8.711   0.513   3.590
  453   3HG2  ILE  54          3HG2      ILE  54  -8.496  -1.229   3.422
  454   1HD1  ILE  54          1HD1      ILE  54  -4.358  -2.014   2.939
  455   2HD1  ILE  54          2HD1      ILE  54  -4.487  -0.265   3.088
  456   3HD1  ILE  54          3HD1      ILE  54  -5.695  -1.162   2.165
  457    H    GLY  55           H        GLY  55  -6.941   1.969   6.865
  458   1HA   GLY  55          1HA       GLY  55  -7.999   4.033   7.515
  459   2HA   GLY  55          2HA       GLY  55  -8.601   4.192   5.862
  460    H    ILE  56           H        ILE  56  -9.271   1.450   5.771
  461    HA   ILE  56           HA       ILE  56 -11.807   1.472   7.231
  462    HB   ILE  56           HB       ILE  56 -10.902  -0.208   4.873
  463   1HG1  ILE  56          1HG1      ILE  56 -12.730   2.198   4.893
  464   2HG1  ILE  56          2HG1      ILE  56 -11.070   2.194   4.311
  465   1HG2  ILE  56          1HG2      ILE  56 -13.300  -0.762   4.652
  466   2HG2  ILE  56          2HG2      ILE  56 -13.621   0.146   6.132
  467   3HG2  ILE  56          3HG2      ILE  56 -12.619  -1.300   6.189
  468   1HD1  ILE  56          1HD1      ILE  56 -13.365   0.641   3.177
  469   2HD1  ILE  56          2HD1      ILE  56 -11.704   0.579   2.579
  470   3HD1  ILE  56          3HD1      ILE  56 -12.631   2.078   2.463
  471    HA   PRO  57           HA       PRO  57  -9.523  -1.609   9.716
  472   1HB   PRO  57          1HB       PRO  57 -12.261  -1.959  10.849
  473   2HB   PRO  57          2HB       PRO  57 -10.735  -1.684  11.692
  474   1HG   PRO  57          1HG       PRO  57 -12.501   0.274  11.489
  475   2HG   PRO  57          2HG       PRO  57 -10.772   0.608  11.290
  476   1HD   PRO  57          1HD       PRO  57 -12.898   0.326   9.197
  477   2HD   PRO  57          2HD       PRO  57 -11.569   1.504   9.311
  478    HA   PRO  58           HA       PRO  58 -11.374  -4.870   7.150
  479   1HB   PRO  58          1HB       PRO  58  -9.080  -5.932   6.307
  480   2HB   PRO  58          2HB       PRO  58  -9.681  -4.410   5.651
  481   1HG   PRO  58          1HG       PRO  58  -7.383  -4.897   7.420
  482   2HG   PRO  58          2HG       PRO  58  -7.737  -3.489   6.411
  483   1HD   PRO  58          1HD       PRO  58  -8.215  -3.861   9.248
  484   2HD   PRO  58          2HD       PRO  58  -8.413  -2.391   8.261
  485    H    VAL  59           H        VAL  59 -10.686  -7.223   6.979
  486    HA   VAL  59           HA       VAL  59 -10.852  -8.460   9.516
  487    HB   VAL  59           HB       VAL  59 -10.039  -9.700   6.873
  488   1HG1  VAL  59          1HG1      VAL  59  -9.630 -11.153   8.773
  489   2HG1  VAL  59          2HG1      VAL  59 -10.969 -11.776   7.806
  490   3HG1  VAL  59          3HG1      VAL  59 -11.290 -10.937   9.325
  491   1HG2  VAL  59          1HG2      VAL  59 -12.131  -8.507   6.604
  492   2HG2  VAL  59          2HG2      VAL  59 -12.801  -9.316   8.013
  493   3HG2  VAL  59          3HG2      VAL  59 -12.422 -10.247   6.561
  494    HA   PRO  60           HA       PRO  60  -6.383  -8.059   9.977
  495   1HB   PRO  60          1HB       PRO  60  -6.553  -9.041  12.676
  496   2HB   PRO  60          2HB       PRO  60  -6.294  -7.382  12.133
  497   1HG   PRO  60          1HG       PRO  60  -8.575  -8.256  13.400
  498   2HG   PRO  60          2HG       PRO  60  -8.499  -6.843  12.339
  499   1HD   PRO  60          1HD       PRO  60  -9.479  -9.610  11.739
  500   2HD   PRO  60          2HD       PRO  60 -10.112  -8.024  11.225
  501    H    ILE  61           H        ILE  61  -6.531 -10.066   8.460
  502    HA   ILE  61           HA       ILE  61  -5.143 -12.218   9.863
  503    HB   ILE  61           HB       ILE  61  -7.172 -12.471   7.597
  504   1HG1  ILE  61          1HG1      ILE  61  -7.269 -13.613  10.398
  505   2HG1  ILE  61          2HG1      ILE  61  -8.192 -12.225   9.844
  506   1HG2  ILE  61          1HG2      ILE  61  -6.782 -14.901   7.699
  507   2HG2  ILE  61          2HG2      ILE  61  -5.510 -14.637   8.894
  508   3HG2  ILE  61          3HG2      ILE  61  -5.319 -14.021   7.253
  509   1HD1  ILE  61          1HD1      ILE  61  -9.394 -13.663   8.273
  510   2HD1  ILE  61          2HD1      ILE  61  -9.547 -14.255   9.926
  511   3HD1  ILE  61          3HD1      ILE  61  -8.436 -15.043   8.805
  512    H    GLY  62           H        GLY  62  -3.308 -12.981   8.635
  513   1HA   GLY  62          1HA       GLY  62  -2.759 -12.666   6.061
  514   2HA   GLY  62          2HA       GLY  62  -2.467 -11.041   6.689
  515    H    ILE  63           H        ILE  63  -0.598 -12.787   5.431
  516    HA   ILE  63           HA       ILE  63   1.260 -13.258   7.646
  517    HB   ILE  63           HB       ILE  63   1.109 -14.757   5.011
  518   1HG1  ILE  63          1HG1      ILE  63   0.436 -15.737   7.798
  519   2HG1  ILE  63          2HG1      ILE  63  -0.745 -15.323   6.563
  520   1HG2  ILE  63          1HG2      ILE  63   2.872 -15.181   7.427
  521   2HG2  ILE  63          2HG2      ILE  63   3.387 -14.568   5.855
  522   3HG2  ILE  63          3HG2      ILE  63   2.811 -16.229   6.009
  523   1HD1  ILE  63          1HD1      ILE  63   1.291 -17.537   6.396
  524   2HD1  ILE  63          2HD1      ILE  63   0.109 -17.127   5.152
  525   3HD1  ILE  63          3HD1      ILE  63  -0.432 -17.725   6.721
  526    H    ASP  64           H        ASP  64   2.477 -11.460   7.548
  527    HA   ASP  64           HA       ASP  64   3.441 -10.438   4.987
  528   1HB   ASP  64          1HB       ASP  64   3.859  -9.445   7.832
  529   2HB   ASP  64          2HB       ASP  64   4.558  -8.687   6.417
  530    H    GLU  65           H        GLU  65   5.150 -11.588   4.194
  531    HA   GLU  65           HA       GLU  65   6.886 -12.959   6.014
  532   1HB   GLU  65          1HB       GLU  65   7.004 -12.592   3.033
  533   2HB   GLU  65          2HB       GLU  65   8.206 -13.483   3.939
  534   1HG   GLU  65          1HG       GLU  65   6.350 -14.978   4.717
  535   2HG   GLU  65          2HG       GLU  65   5.306 -14.149   3.557
  536    H    GLU  66           H        GLU  66   7.593 -10.667   3.450
  537    HA   GLU  66           HA       GLU  66   9.275  -9.122   5.163
  538   1HB   GLU  66          1HB       GLU  66  10.736 -11.026   4.478
  539   2HB   GLU  66          2HB       GLU  66  10.408 -10.647   2.795
  540   1HG   GLU  66          1HG       GLU  66  12.615  -9.911   3.623
  541   2HG   GLU  66          2HG       GLU  66  11.630  -8.624   2.937
  542    H    ARG  67           H        ARG  67  10.089  -7.306   3.842
  543    HA   ARG  67           HA       ARG  67   7.887  -6.318   2.226
  544   1HB   ARG  67          1HB       ARG  67   9.551  -5.088   3.950
  545   2HB   ARG  67          2HB       ARG  67  10.400  -4.752   2.451
  546   1HG   ARG  67          1HG       ARG  67   7.512  -4.117   2.952
  547   2HG   ARG  67          2HG       ARG  67   8.852  -2.977   3.151
  548   1HD   ARG  67          1HD       ARG  67   9.308  -3.036   0.806
  549   2HD   ARG  67          2HD       ARG  67   8.183  -4.371   0.566
  550    HE   ARG  67           HE       ARG  67   6.547  -2.573   1.571
  551   1HH1  ARG  67          1HH1      ARG  67   9.040  -1.964  -0.867
  552   2HH1  ARG  67          2HH1      ARG  67   8.096  -0.816  -1.715
  553   1HH2  ARG  67          1HH2      ARG  67   5.265  -1.044   0.404
  554   2HH2  ARG  67          2HH2      ARG  67   5.814  -0.292  -0.935
  555    H    SER  68           H        SER  68  11.134  -7.423   1.826
  556    HA   SER  68           HA       SER  68  11.126  -6.922  -1.019
  557   1HB   SER  68          1HB       SER  68  13.449  -7.930  -0.718
  558   2HB   SER  68          2HB       SER  68  13.156  -6.370   0.080
  559    HG   SER  68           HG       SER  68  13.637  -8.855   1.123
  560    H    THR  69           H        THR  69   9.239  -8.634  -0.063
  561    HA   THR  69           HA       THR  69   9.651 -10.969  -1.587
  562    HB   THR  69           HB       THR  69   9.131 -11.184   1.416
  563    HG1  THR  69           HG1      THR  69  11.448 -11.078   0.118
  564   1HG2  THR  69          1HG2      THR  69   9.288 -13.616   1.101
  565   2HG2  THR  69          2HG2      THR  69   9.561 -13.384  -0.625
  566   3HG2  THR  69          3HG2      THR  69   8.012 -12.941   0.095
  567    H    VAL  70           H        VAL  70   7.392 -12.092  -1.366
  568    HA   VAL  70           HA       VAL  70   5.376 -10.069  -1.506
  569    HB   VAL  70           HB       VAL  70   3.850 -11.971  -1.952
  570   1HG1  VAL  70          1HG1      VAL  70   6.403 -12.055  -3.549
  571   2HG1  VAL  70          2HG1      VAL  70   5.048 -10.952  -3.812
  572   3HG1  VAL  70          3HG1      VAL  70   4.842 -12.684  -4.071
  573   1HG2  VAL  70          1HG2      VAL  70   4.937 -13.636  -0.521
  574   2HG2  VAL  70          2HG2      VAL  70   6.316 -13.685  -1.622
  575   3HG2  VAL  70          3HG2      VAL  70   4.730 -14.233  -2.166
  576    H    MET  71           H        MET  71   3.456 -10.213  -0.312
  577    HA   MET  71           HA       MET  71   3.555 -11.514   2.270
  578   1HB   MET  71          1HB       MET  71   2.655  -9.404   3.327
  579   2HB   MET  71          2HB       MET  71   4.333  -9.284   2.815
  580   1HG   MET  71          1HG       MET  71   3.665  -8.020   0.856
  581   2HG   MET  71          2HG       MET  71   1.970  -8.226   1.275
  582   1HE   MET  71          1HE       MET  71   5.408  -6.696   2.410
  583   2HE   MET  71          2HE       MET  71   4.866  -7.513   3.881
  584   3HE   MET  71          3HE       MET  71   4.925  -5.754   3.818
  585    H    ILE  72           H        ILE  72   1.731 -12.634   2.406
  586    HA   ILE  72           HA       ILE  72  -0.464 -11.722   0.713
  587    HB   ILE  72           HB       ILE  72   0.111 -14.579   1.611
  588   1HG1  ILE  72          1HG1      ILE  72   0.075 -15.025  -0.900
  589   2HG1  ILE  72          2HG1      ILE  72   0.099 -13.287  -1.130
  590   1HG2  ILE  72          1HG2      ILE  72  -2.253 -13.553   0.051
  591   2HG2  ILE  72          2HG2      ILE  72  -2.280 -14.196   1.691
  592   3HG2  ILE  72          3HG2      ILE  72  -1.879 -15.252   0.335
  593   1HD1  ILE  72          1HD1      ILE  72   2.220 -14.929   0.220
  594   2HD1  ILE  72          2HD1      ILE  72   2.269 -13.183  -0.021
  595   3HD1  ILE  72          3HD1      ILE  72   2.298 -14.268  -1.413
  596    HA   PRO  73           HA       PRO  73  -2.289 -11.304   4.732
  597   1HB   PRO  73          1HB       PRO  73  -3.449  -8.836   4.087
  598   2HB   PRO  73          2HB       PRO  73  -1.936  -9.070   4.961
  599   1HG   PRO  73          1HG       PRO  73  -2.238  -7.944   2.387
  600   2HG   PRO  73          2HG       PRO  73  -0.720  -8.415   3.166
  601   1HD   PRO  73          1HD       PRO  73  -2.355  -9.885   1.158
  602   2HD   PRO  73          2HD       PRO  73  -0.594  -9.874   1.418
  603    H    TYR  74           H        TYR  74  -4.560 -11.081   5.334
  604    HA   TYR  74           HA       TYR  74  -6.413 -11.424   3.142
  605   1HB   TYR  74          1HB       TYR  74  -5.868 -13.622   4.298
  606   2HB   TYR  74          2HB       TYR  74  -6.533 -12.893   5.760
  607    HD1  TYR  74           HD1      TYR  74  -7.512 -13.528   2.208
  608    HD2  TYR  74           HD2      TYR  74  -8.758 -13.299   6.265
  609    HE1  TYR  74           HE1      TYR  74  -9.755 -14.275   1.554
  610    HE2  TYR  74           HE2      TYR  74 -11.006 -14.040   5.624
  611    HH   TYR  74           HH       TYR  74 -12.422 -14.085   3.653
  612    H    THR  75           H        THR  75  -6.002  -9.130   3.850
  613    HA   THR  75           HA       THR  75  -7.729  -8.504   6.020
  614    HB   THR  75           HB       THR  75  -6.918  -6.163   5.580
  615    HG1  THR  75           HG1      THR  75  -6.186  -6.527   3.455
  616   1HG2  THR  75          1HG2      THR  75  -5.947  -7.501   7.389
  617   2HG2  THR  75          2HG2      THR  75  -4.687  -6.528   6.628
  618   3HG2  THR  75          3HG2      THR  75  -4.822  -8.246   6.254
  619    H    LYS  76           H        LYS  76  -9.754  -8.296   5.394
  620    HA   LYS  76           HA       LYS  76 -10.343  -7.518   2.623
  621   1HB   LYS  76          1HB       LYS  76 -11.203  -9.722   3.308
  622   2HB   LYS  76          2HB       LYS  76 -12.126  -8.960   4.592
  623   1HG   LYS  76          1HG       LYS  76 -13.432  -7.727   2.901
  624   2HG   LYS  76          2HG       LYS  76 -12.522  -8.539   1.628
  625   1HD   LYS  76          1HD       LYS  76 -14.555  -9.732   1.834
  626   2HD   LYS  76          2HD       LYS  76 -13.333 -10.726   2.616
  627   1HE   LYS  76          1HE       LYS  76 -15.259 -10.779   4.024
  628   2HE   LYS  76          2HE       LYS  76 -14.089  -9.740   4.825
  629   1HZ   LYS  76          1HZ       LYS  76 -16.297  -8.740   4.908
  630   2HZ   LYS  76          2HZ       LYS  76 -16.464  -8.879   3.261
  631   3HZ   LYS  76          3HZ       LYS  76 -15.360  -7.792   3.878
  632    HA   PRO  77           HA       PRO  77 -12.286  -4.004   4.620
  633   1HB   PRO  77          1HB       PRO  77 -11.051  -2.098   3.116
  634   2HB   PRO  77          2HB       PRO  77 -10.277  -2.816   4.525
  635   1HG   PRO  77          1HG       PRO  77  -9.577  -3.116   1.721
  636   2HG   PRO  77          2HG       PRO  77  -8.696  -3.687   3.143
  637   1HD   PRO  77          1HD       PRO  77 -10.545  -5.157   1.373
  638   2HD   PRO  77          2HD       PRO  77  -9.320  -5.780   2.504
  639    H    CYS  78           H        CYS  78 -12.970  -1.830   2.920
  640    HA   CYS  78           HA       CYS  78 -14.831  -3.080   1.119
  641   1HB   CYS  78          1HB       CYS  78 -15.519  -1.125   2.476
  642   2HB   CYS  78          2HB       CYS  78 -14.308  -0.146   1.652
  643    HG   CYS  78           HG       CYS  78 -15.753  -1.082  -0.833
  644    H    TYR  79           H        TYR  79 -11.645  -2.153   0.885
  645    HA   TYR  79           HA       TYR  79 -11.888  -1.369  -1.916
  646   1HB   TYR  79          1HB       TYR  79 -10.471   0.009  -0.336
  647   2HB   TYR  79          2HB       TYR  79  -9.363  -1.352  -0.248
  648    HD1  TYR  79           HD1      TYR  79  -7.895  -1.880  -2.133
  649    HD2  TYR  79           HD2      TYR  79 -10.692   1.314  -2.363
  650    HE1  TYR  79           HE1      TYR  79  -6.755  -1.038  -4.135
  651    HE2  TYR  79           HE2      TYR  79  -9.551   2.162  -4.370
  652    HH   TYR  79           HH       TYR  79  -7.195   0.362  -6.022
  653    H    GLY  80           H        GLY  80  -9.257  -3.247  -0.347
  654   1HA   GLY  80          1HA       GLY  80  -9.835  -5.724  -1.428
  655   2HA   GLY  80          2HA       GLY  80  -8.818  -4.854  -2.578
  656    H    THR  81           H        THR  81  -7.394  -6.764  -1.894
  657    HA   THR  81           HA       THR  81  -5.941  -6.034   0.542
  658    HB   THR  81           HB       THR  81  -5.901  -8.745  -0.787
  659    HG1  THR  81           HG1      THR  81  -7.639  -7.792   1.289
  660   1HG2  THR  81          1HG2      THR  81  -5.342  -7.831   2.038
  661   2HG2  THR  81          2HG2      THR  81  -4.125  -8.247   0.832
  662   3HG2  THR  81          3HG2      THR  81  -5.216  -9.489   1.450
  663    H    ALA  82           H        ALA  82  -3.635  -6.126   0.453
  664    HA   ALA  82           HA       ALA  82  -2.616  -5.706  -2.278
  665   1HB   ALA  82          1HB       ALA  82  -1.858  -4.304   0.251
  666   2HB   ALA  82          2HB       ALA  82  -2.909  -3.671  -1.013
  667   3HB   ALA  82          3HB       ALA  82  -1.208  -4.004  -1.359
  668    H    VAL  83           H        VAL  83  -1.028  -7.063  -2.830
  669    HA   VAL  83           HA       VAL  83   0.797  -8.103  -0.783
  670    HB   VAL  83           HB       VAL  83   0.310  -9.059  -3.648
  671   1HG1  VAL  83          1HG1      VAL  83   1.876 -10.352  -1.425
  672   2HG1  VAL  83          2HG1      VAL  83   2.569  -9.508  -2.802
  673   3HG1  VAL  83          3HG1      VAL  83   1.652 -10.999  -3.052
  674   1HG2  VAL  83          1HG2      VAL  83  -1.646  -9.525  -2.279
  675   2HG2  VAL  83          2HG2      VAL  83  -0.629 -10.303  -1.069
  676   3HG2  VAL  83          3HG2      VAL  83  -0.794 -11.019  -2.672
  677    H    VAL  84           H        VAL  84   2.600  -6.852  -0.711
  678    HA   VAL  84           HA       VAL  84   3.293  -5.332  -3.089
  679    HB   VAL  84           HB       VAL  84   4.446  -3.822  -1.724
  680   1HG1  VAL  84          1HG1      VAL  84   2.149  -3.572  -1.404
  681   2HG1  VAL  84          2HG1      VAL  84   2.996  -3.211   0.102
  682   3HG1  VAL  84          3HG1      VAL  84   2.149  -4.746  -0.089
  683   1HG2  VAL  84          1HG2      VAL  84   5.864  -5.355  -0.438
  684   2HG2  VAL  84          2HG2      VAL  84   4.478  -5.820   0.548
  685   3HG2  VAL  84          3HG2      VAL  84   5.104  -4.174   0.629
  686    H    GLU  85           H        GLU  85   5.703  -5.616  -3.771
  687    HA   GLU  85           HA       GLU  85   7.339  -7.419  -2.242
  688   1HB   GLU  85          1HB       GLU  85   6.003  -8.924  -3.713
  689   2HB   GLU  85          2HB       GLU  85   6.675  -8.089  -5.116
  690   1HG   GLU  85          1HG       GLU  85   8.537  -9.345  -3.165
  691   2HG   GLU  85          2HG       GLU  85   7.630 -10.401  -4.234
  692    H    LEU  86           H        LEU  86   9.087  -6.267  -2.063
  693    HA   LEU  86           HA       LEU  86   9.784  -4.449  -4.232
  694   1HB   LEU  86          1HB       LEU  86   9.547  -3.621  -1.883
  695   2HB   LEU  86          2HB       LEU  86  10.911  -4.623  -1.435
  696    HG   LEU  86           HG       LEU  86  12.255  -3.313  -3.130
  697   1HD1  LEU  86          1HD1      LEU  86  10.444  -2.368  -4.404
  698   2HD1  LEU  86          2HD1      LEU  86  11.462  -1.098  -3.728
  699   3HD1  LEU  86          3HD1      LEU  86   9.901  -1.459  -2.994
  700   1HD2  LEU  86          1HD2      LEU  86  12.502  -2.963  -0.730
  701   2HD2  LEU  86          2HD2      LEU  86  11.128  -1.861  -0.734
  702   3HD2  LEU  86          3HD2      LEU  86  12.611  -1.421  -1.582
  703    HA   PRO  87           HA       PRO  87  13.125  -7.381  -5.101
  704   1HB   PRO  87          1HB       PRO  87  14.088  -6.241  -7.308
  705   2HB   PRO  87          2HB       PRO  87  12.479  -6.974  -7.319
  706   1HG   PRO  87          1HG       PRO  87  13.248  -4.099  -7.073
  707   2HG   PRO  87          2HG       PRO  87  11.963  -4.834  -8.048
  708   1HD   PRO  87          1HD       PRO  87  11.568  -3.648  -5.600
  709   2HD   PRO  87          2HD       PRO  87  10.501  -4.890  -6.288
  710    H    VAL  88           H        VAL  88  13.391  -4.919  -3.366
  711    HA   VAL  88           HA       VAL  88  16.288  -4.610  -3.492
  712    HB   VAL  88           HB       VAL  88  14.426  -2.384  -2.627
  713   1HG1  VAL  88          1HG1      VAL  88  16.391  -0.940  -2.931
  714   2HG1  VAL  88          2HG1      VAL  88  17.336  -2.360  -3.362
  715   3HG1  VAL  88          3HG1      VAL  88  16.648  -2.219  -1.744
  716   1HG2  VAL  88          1HG2      VAL  88  15.681  -2.641  -5.367
  717   2HG2  VAL  88          2HG2      VAL  88  14.827  -1.218  -4.767
  718   3HG2  VAL  88          3HG2      VAL  88  13.960  -2.737  -4.998
  719    H    ASP  89           H        ASP  89  17.104  -4.312  -1.353
  720    HA   ASP  89           HA       ASP  89  15.864  -6.003   0.521
  721   1HB   ASP  89          1HB       ASP  89  18.269  -4.227   0.717
  722   2HB   ASP  89          2HB       ASP  89  17.720  -5.185   2.091
  723    HA   PRO  90           HA       PRO  90  13.200  -3.572   3.000
  724   1HB   PRO  90          1HB       PRO  90  13.640  -4.619   5.488
  725   2HB   PRO  90          2HB       PRO  90  12.710  -5.453   4.238
  726   1HG   PRO  90          1HG       PRO  90  15.583  -5.808   5.009
  727   2HG   PRO  90          2HG       PRO  90  14.353  -7.045   4.687
  728   1HD   PRO  90          1HD       PRO  90  16.171  -6.400   2.843
  729   2HD   PRO  90          2HD       PRO  90  14.496  -6.764   2.387
  730    H    GLU  91           H        GLU  91  16.514  -3.374   3.318
  731    HA   GLU  91           HA       GLU  91  16.892  -1.674   5.537
  732   1HB   GLU  91          1HB       GLU  91  18.976  -0.965   4.404
  733   2HB   GLU  91          2HB       GLU  91  18.782  -2.713   4.392
  734   1HG   GLU  91          1HG       GLU  91  18.165  -2.714   2.108
  735   2HG   GLU  91          2HG       GLU  91  18.025  -0.962   2.078
  736    H    GLU  92           H        GLU  92  15.743  -1.195   2.314
  737    HA   GLU  92           HA       GLU  92  15.977   1.599   2.182
  738   1HB   GLU  92          1HB       GLU  92  14.246  -0.361   0.714
  739   2HB   GLU  92          2HB       GLU  92  14.189   1.370   0.408
  740   1HG   GLU  92          1HG       GLU  92  16.649  -0.331   0.194
  741   2HG   GLU  92          2HG       GLU  92  15.626   0.161  -1.164
  742    H    ILE  93           H        ILE  93  13.772  -0.476   3.766
  743    HA   ILE  93           HA       ILE  93  11.591   1.331   3.823
  744    HB   ILE  93           HB       ILE  93  12.191  -1.019   5.628
  745   1HG1  ILE  93          1HG1      ILE  93  11.932  -1.695   3.323
  746   2HG1  ILE  93          2HG1      ILE  93  10.512  -2.196   4.233
  747   1HG2  ILE  93          1HG2      ILE  93   9.803  -0.972   6.244
  748   2HG2  ILE  93          2HG2      ILE  93   9.597   0.507   5.310
  749   3HG2  ILE  93          3HG2      ILE  93  10.629   0.507   6.739
  750   1HD1  ILE  93          1HD1      ILE  93  10.700   0.183   2.381
  751   2HD1  ILE  93          2HD1      ILE  93   9.281  -0.264   3.323
  752   3HD1  ILE  93          3HD1      ILE  93   9.873  -1.338   2.058
  753    H    GLU  94           H        GLU  94  14.369   0.815   5.913
  754    HA   GLU  94           HA       GLU  94  13.514   2.481   8.039
  755   1HB   GLU  94          1HB       GLU  94  16.359   2.105   7.059
  756   2HB   GLU  94          2HB       GLU  94  15.866   2.624   8.661
  757   1HG   GLU  94          1HG       GLU  94  15.487  -0.097   7.440
  758   2HG   GLU  94          2HG       GLU  94  16.598   0.337   8.735
  759    H    ARG  95           H        ARG  95  15.299   3.053   5.120
  760    HA   ARG  95           HA       ARG  95  15.605   5.835   5.430
  761   1HB   ARG  95          1HB       ARG  95  17.168   4.816   3.979
  762   2HB   ARG  95          2HB       ARG  95  15.936   3.892   3.155
  763   1HG   ARG  95          1HG       ARG  95  15.899   6.851   2.813
  764   2HG   ARG  95          2HG       ARG  95  17.171   5.928   2.002
  765   1HD   ARG  95          1HD       ARG  95  15.506   4.516   0.942
  766   2HD   ARG  95          2HD       ARG  95  14.222   5.342   1.813
  767    HE   ARG  95           HE       ARG  95  15.228   7.368   0.486
  768   1HH1  ARG  95          1HH1      ARG  95  14.985   4.058  -0.803
  769   2HH1  ARG  95          2HH1      ARG  95  14.379   4.560  -2.293
  770   1HH2  ARG  95          1HH2      ARG  95  14.461   8.020  -1.604
  771   2HH2  ARG  95          2HH2      ARG  95  14.116   6.855  -2.800
  772    H    ILE  96           H        ILE  96  13.180   3.883   3.805
  773    HA   ILE  96           HA       ILE  96  11.744   6.072   2.696
  774    HB   ILE  96           HB       ILE  96  11.092   3.159   3.074
  775   1HG1  ILE  96          1HG1      ILE  96  11.679   4.773   0.583
  776   2HG1  ILE  96          2HG1      ILE  96  12.796   3.690   1.404
  777   1HG2  ILE  96          1HG2      ILE  96   9.108   3.436   1.633
  778   2HG2  ILE  96          2HG2      ILE  96   9.388   5.176   1.629
  779   3HG2  ILE  96          3HG2      ILE  96   8.951   4.361   3.134
  780   1HD1  ILE  96          1HD1      ILE  96  10.235   2.878   0.041
  781   2HD1  ILE  96          2HD1      ILE  96  11.367   1.791   0.847
  782   3HD1  ILE  96          3HD1      ILE  96  11.867   2.671  -0.596
  783    H    LEU  97           H        LEU  97  11.755   4.595   5.823
  784    HA   LEU  97           HA       LEU  97   9.206   5.565   6.604
  785   1HB   LEU  97          1HB       LEU  97  10.442   3.701   7.710
  786   2HB   LEU  97          2HB       LEU  97  11.581   4.874   8.336
  787    HG   LEU  97           HG       LEU  97   9.734   5.939   9.600
  788   1HD1  LEU  97          1HD1      LEU  97   8.146   3.596   8.571
  789   2HD1  LEU  97          2HD1      LEU  97   7.848   5.305   8.233
  790   3HD1  LEU  97          3HD1      LEU  97   7.643   4.673   9.866
  791   1HD2  LEU  97          1HD2      LEU  97   9.519   4.167  11.271
  792   2HD2  LEU  97          2HD2      LEU  97  11.173   4.313  10.677
  793   3HD2  LEU  97          3HD2      LEU  97  10.144   2.996  10.108
  794    H    GLU  98           H        GLU  98  12.380   6.892   6.437
  795    HA   GLU  98           HA       GLU  98  11.764   9.280   7.981
  796   1HB   GLU  98          1HB       GLU  98  14.037   8.271   7.979
  797   2HB   GLU  98          2HB       GLU  98  14.126   8.557   6.252
  798   1HG   GLU  98          1HG       GLU  98  15.407  10.214   7.536
  799   2HG   GLU  98          2HG       GLU  98  14.121  10.937   6.578
  800    H    VAL  99           H        VAL  99  12.306   8.282   4.709
  801    HA   VAL  99           HA       VAL  99  11.779  10.844   3.496
  802    HB   VAL  99           HB       VAL  99  12.283   8.048   2.406
  803   1HG1  VAL  99          1HG1      VAL  99  12.275  10.672   0.866
  804   2HG1  VAL  99          2HG1      VAL  99  11.085   9.382   0.688
  805   3HG1  VAL  99          3HG1      VAL  99  12.760   9.107   0.212
  806   1HG2  VAL  99          1HG2      VAL  99  14.154   8.983   3.591
  807   2HG2  VAL  99          2HG2      VAL  99  14.098  10.442   2.599
  808   3HG2  VAL  99          3HG2      VAL  99  14.511   8.892   1.868
  809    H    ALA 100           H        ALA 100   9.809   8.927   5.017
  810    HA   ALA 100           HA       ALA 100   7.762   7.992   3.451
  811   1HB   ALA 100          1HB       ALA 100   7.462   9.136   6.198
  812   2HB   ALA 100          2HB       ALA 100   8.024   7.503   5.811
  813   3HB   ALA 100          3HB       ALA 100   6.379   7.995   5.390
  814    H    GLU 101           H        GLU 101   7.708  11.094   5.144
  815    HA   GLU 101           HA       GLU 101   5.460  11.751   3.477
  816   1HB   GLU 101          1HB       GLU 101   6.424  13.125   5.985
  817   2HB   GLU 101          2HB       GLU 101   4.998  13.573   5.052
  818   1HG   GLU 101          1HG       GLU 101   4.058  11.325   5.450
  819   2HG   GLU 101          2HG       GLU 101   5.453  10.946   6.452
  820    HA   PRO 102           HA       PRO 102   8.171  15.040   1.983
  821   1HB   PRO 102          1HB       PRO 102  10.537  15.722   3.205
  822   2HB   PRO 102          2HB       PRO 102   8.940  16.327   3.676
  823   1HG   PRO 102          1HG       PRO 102  10.676  14.583   5.162
  824   2HG   PRO 102          2HG       PRO 102   9.092  15.212   5.638
  825   1HD   PRO 102          1HD       PRO 102   9.796  12.599   4.408
  826   2HD   PRO 102          2HD       PRO 102   8.420  13.019   5.454
  Start of MODEL   13
    1    H    HIS   1           H        HIS   1  -0.301   6.688 -11.106
    2    HA   HIS   1           HA       HIS   1   2.030   6.737 -11.198
    3   1HB   HIS   1          1HB       HIS   1   3.303   8.754 -11.722
    4   2HB   HIS   1          2HB       HIS   1   2.285   8.330 -13.086
    5    HD1  HIS   1           HD1      HIS   1   3.104  11.101 -10.813
    6    HD2  HIS   1           HD2      HIS   1  -0.015  10.077 -13.367
    7    HE1  HIS   1           HE1      HIS   1   1.790  13.220 -11.210
    8    H    MET   2           H        MET   2  -0.532   8.370  -9.687
    9    HA   MET   2           HA       MET   2   0.558   8.067  -7.154
   10   1HB   MET   2          1HB       MET   2   0.666  10.358  -6.389
   11   2HB   MET   2          2HB       MET   2   1.869  10.089  -7.647
   12   1HG   MET   2          1HG       MET   2   0.388  11.228  -9.252
   13   2HG   MET   2          2HG       MET   2  -0.783  11.497  -7.963
   14   1HE   MET   2          1HE       MET   2  -0.894  14.063  -8.326
   15   2HE   MET   2          2HE       MET   2   0.177  13.885  -9.715
   16   3HE   MET   2          3HE       MET   2   0.520  15.102  -8.484
   17    H    THR   3           H        THR   3  -1.064   7.985  -5.748
   18    HA   THR   3           HA       THR   3  -3.607   9.138  -6.599
   19    HB   THR   3           HB       THR   3  -3.165   6.364  -5.534
   20    HG1  THR   3           HG1      THR   3  -3.902   7.410  -8.063
   21   1HG2  THR   3          1HG2      THR   3  -5.728   7.726  -6.427
   22   2HG2  THR   3          2HG2      THR   3  -5.307   7.337  -4.763
   23   3HG2  THR   3          3HG2      THR   3  -5.597   6.041  -5.920
   24    H    PHE   4           H        PHE   4  -4.400  10.405  -5.075
   25    HA   PHE   4           HA       PHE   4  -3.824   9.748  -2.281
   26   1HB   PHE   4          1HB       PHE   4  -4.233  12.509  -3.469
   27   2HB   PHE   4          2HB       PHE   4  -3.876  12.154  -1.776
   28    HD1  PHE   4           HD1      PHE   4  -1.718  11.010  -1.231
   29    HD2  PHE   4           HD2      PHE   4  -2.499  12.717  -5.032
   30    HE1  PHE   4           HE1      PHE   4   0.687  10.961  -1.745
   31    HE2  PHE   4           HE2      PHE   4  -0.105  12.678  -5.551
   32    HZ   PHE   4           HZ       PHE   4   1.489  11.781  -3.907
   33    H    CYS   5           H        CYS   5  -6.089   9.520  -4.481
   34    HA   CYS   5           HA       CYS   5  -8.335  10.524  -2.936
   35   1HB   CYS   5          1HB       CYS   5  -8.252   9.268  -5.684
   36   2HB   CYS   5          2HB       CYS   5  -9.631  10.084  -4.947
   37    HG   CYS   5           HG       CYS   5  -8.156  11.581  -7.026
   38    H    LEU   6           H        LEU   6  -8.778   9.161  -1.345
   39    HA   LEU   6           HA       LEU   6  -8.646   6.297  -1.769
   40   1HB   LEU   6          1HB       LEU   6  -9.168   6.262   0.753
   41   2HB   LEU   6          2HB       LEU   6  -7.593   6.765   0.213
   42    HG   LEU   6           HG       LEU   6  -8.352   9.086   0.455
   43   1HD1  LEU   6          1HD1      LEU   6 -10.228   9.492   2.102
   44   2HD1  LEU   6          2HD1      LEU   6 -10.542   7.760   2.121
   45   3HD1  LEU   6          3HD1      LEU   6 -10.829   8.684   0.649
   46   1HD2  LEU   6          1HD2      LEU   6  -8.185   7.350   2.849
   47   2HD2  LEU   6          2HD2      LEU   6  -8.010   9.102   2.864
   48   3HD2  LEU   6          3HD2      LEU   6  -6.860   8.112   1.970
   49    H    GLU   7           H        GLU   7 -10.961   8.785  -1.341
   50    HA   GLU   7           HA       GLU   7 -13.170   7.193  -0.573
   51   1HB   GLU   7          1HB       GLU   7 -13.143   9.503  -0.047
   52   2HB   GLU   7          2HB       GLU   7 -12.859   9.967  -1.701
   53   1HG   GLU   7          1HG       GLU   7 -15.171   9.160  -2.227
   54   2HG   GLU   7          2HG       GLU   7 -15.402   8.888  -0.497
   55    H    THR   8           H        THR   8 -11.646   7.906  -3.563
   56    HA   THR   8           HA       THR   8 -13.763   7.331  -5.274
   57    HB   THR   8           HB       THR   8 -10.797   6.983  -5.722
   58    HG1  THR   8           HG1      THR   8 -12.530   9.214  -5.823
   59   1HG2  THR   8          1HG2      THR   8 -12.176   5.949  -7.483
   60   2HG2  THR   8          2HG2      THR   8 -11.301   7.354  -8.090
   61   3HG2  THR   8          3HG2      THR   8 -13.017   7.485  -7.714
   62    H    TYR   9           H        TYR   9 -11.433   5.407  -3.503
   63    HA   TYR   9           HA       TYR   9 -12.004   3.068  -4.943
   64   1HB   TYR   9          1HB       TYR   9 -10.214   3.791  -2.742
   65   2HB   TYR   9          2HB       TYR   9 -10.737   2.106  -2.760
   66    HD1  TYR   9           HD1      TYR   9  -9.581   0.620  -4.099
   67    HD2  TYR   9           HD2      TYR   9  -9.452   4.751  -5.075
   68    HE1  TYR   9           HE1      TYR   9  -8.093   0.125  -5.979
   69    HE2  TYR   9           HE2      TYR   9  -7.944   4.261  -6.953
   70    HH   TYR   9           HH       TYR   9  -7.381   0.983  -7.950
   71    H    LEU  10           H        LEU  10 -13.250   4.592  -2.158
   72    HA   LEU  10           HA       LEU  10 -14.678   2.366  -1.178
   73   1HB   LEU  10          1HB       LEU  10 -14.148   4.525   0.074
   74   2HB   LEU  10          2HB       LEU  10 -15.370   5.290  -0.887
   75    HG   LEU  10           HG       LEU  10 -16.157   2.934   0.819
   76   1HD1  LEU  10          1HD1      LEU  10 -16.689   4.466   2.623
   77   2HD1  LEU  10          2HD1      LEU  10 -15.993   5.803   1.710
   78   3HD1  LEU  10          3HD1      LEU  10 -14.960   4.492   2.278
   79   1HD2  LEU  10          1HD2      LEU  10 -17.784   3.806  -0.806
   80   2HD2  LEU  10          2HD2      LEU  10 -17.629   5.412  -0.097
   81   3HD2  LEU  10          3HD2      LEU  10 -18.313   4.094   0.852
   82    H    GLN  11           H        GLN  11 -15.238   4.821  -3.588
   83    HA   GLN  11           HA       GLN  11 -17.977   4.325  -4.044
   84   1HB   GLN  11          1HB       GLN  11 -15.823   5.578  -5.742
   85   2HB   GLN  11          2HB       GLN  11 -17.506   5.522  -6.243
   86   1HG   GLN  11          1HG       GLN  11 -16.414   6.877  -3.783
   87   2HG   GLN  11          2HG       GLN  11 -16.922   7.679  -5.266
   88   1HE2  GLN  11          1HE2      GLN  11 -19.258   5.948  -5.626
   89   2HE2  GLN  11          2HE2      GLN  11 -20.403   6.452  -4.451
   90    H    GLN  12           H        GLN  12 -14.988   3.072  -5.346
   91    HA   GLN  12           HA       GLN  12 -16.248   1.509  -7.325
   92   1HB   GLN  12          1HB       GLN  12 -13.487   1.193  -6.152
   93   2HB   GLN  12          2HB       GLN  12 -14.060   0.373  -7.594
   94   1HG   GLN  12          1HG       GLN  12 -14.330   2.561  -8.682
   95   2HG   GLN  12          2HG       GLN  12 -13.670   3.335  -7.240
   96   1HE2  GLN  12          1HE2      GLN  12 -12.658   3.365  -9.926
   97   2HE2  GLN  12          2HE2      GLN  12 -11.054   2.726  -9.877
   98    H    SER  13           H        SER  13 -16.295   1.246  -4.090
   99    HA   SER  13           HA       SER  13 -16.981  -0.187  -2.615
  100   1HB   SER  13          1HB       SER  13 -17.663  -1.990  -4.946
  101   2HB   SER  13          2HB       SER  13 -18.278  -2.165  -3.297
  102    HG   SER  13           HG       SER  13 -18.531   0.254  -4.693
  103    H    GLY  14           H        GLY  14 -14.267  -0.332  -3.940
  104   1HA   GLY  14          1HA       GLY  14 -13.411  -2.946  -2.928
  105   2HA   GLY  14          2HA       GLY  14 -12.534  -1.995  -4.132
  106    H    GLU  15           H        GLU  15 -13.963  -1.548  -1.001
  107    HA   GLU  15           HA       GLU  15 -12.242   0.481  -0.167
  108   1HB   GLU  15          1HB       GLU  15 -13.954  -1.427   1.406
  109   2HB   GLU  15          2HB       GLU  15 -13.136  -0.033   2.097
  110   1HG   GLU  15          1HG       GLU  15 -14.417   1.458   0.733
  111   2HG   GLU  15          2HG       GLU  15 -15.159   0.102  -0.120
  112    H    TYR  16           H        TYR  16 -10.324   0.442   0.515
  113    HA   TYR  16           HA       TYR  16  -9.128  -1.874   1.839
  114   1HB   TYR  16          1HB       TYR  16  -8.677  -1.948  -0.643
  115   2HB   TYR  16          2HB       TYR  16  -7.961  -0.358  -0.522
  116    HD1  TYR  16           HD1      TYR  16  -7.596  -3.739   1.021
  117    HD2  TYR  16           HD2      TYR  16  -5.640  -0.277  -0.476
  118    HE1  TYR  16           HE1      TYR  16  -5.414  -4.836   1.333
  119    HE2  TYR  16           HE2      TYR  16  -3.455  -1.370  -0.152
  120    HH   TYR  16           HH       TYR  16  -3.219  -4.697   0.437
  121    H    GLU  17           H        GLU  17 -10.208   1.070   2.172
  122    HA   GLU  17           HA       GLU  17  -7.968   2.160   3.625
  123   1HB   GLU  17          1HB       GLU  17  -9.393   3.751   1.507
  124   2HB   GLU  17          2HB       GLU  17  -8.031   4.257   2.486
  125   1HG   GLU  17          1HG       GLU  17  -6.616   2.632   1.333
  126   2HG   GLU  17          2HG       GLU  17  -7.996   2.152   0.342
  127    H    ILE  18           H        ILE  18  -8.805   4.347   4.527
  128    HA   ILE  18           HA       ILE  18 -11.635   4.246   5.094
  129    HB   ILE  18           HB       ILE  18 -10.546   3.383   7.096
  130   1HG1  ILE  18          1HG1      ILE  18 -11.470   6.235   7.583
  131   2HG1  ILE  18          2HG1      ILE  18 -12.490   4.809   7.540
  132   1HG2  ILE  18          1HG2      ILE  18  -8.936   4.685   8.387
  133   2HG2  ILE  18          2HG2      ILE  18  -8.887   5.864   7.073
  134   3HG2  ILE  18          3HG2      ILE  18  -8.365   4.193   6.794
  135   1HD1  ILE  18          1HD1      ILE  18 -10.351   5.368   9.583
  136   2HD1  ILE  18          2HD1      ILE  18 -11.423   3.964   9.559
  137   3HD1  ILE  18          3HD1      ILE  18 -12.086   5.576   9.811
  138    H    HIS  19           H        HIS  19 -12.481   6.487   5.765
  139    HA   HIS  19           HA       HIS  19 -11.523   8.505   4.010
  140   1HB   HIS  19          1HB       HIS  19 -13.612   8.556   6.168
  141   2HB   HIS  19          2HB       HIS  19 -13.112  10.034   5.366
  142    HD1  HIS  19           HD1      HIS  19 -14.204  10.541   3.141
  143    HD2  HIS  19           HD2      HIS  19 -14.888   6.661   4.452
  144    HE1  HIS  19           HE1      HIS  19 -15.956   9.595   1.618
  145    H    MET  20           H        MET  20  -9.513   8.333   4.777
  146    HA   MET  20           HA       MET  20  -8.847  10.416   6.748
  147   1HB   MET  20          1HB       MET  20  -7.799   7.665   6.403
  148   2HB   MET  20          2HB       MET  20  -6.672   8.855   7.064
  149   1HG   MET  20          1HG       MET  20  -8.372   9.239   8.873
  150   2HG   MET  20          2HG       MET  20  -9.337   7.947   8.167
  151   1HE   MET  20          1HE       MET  20  -5.378   8.135   8.597
  152   2HE   MET  20          2HE       MET  20  -5.206   7.351  10.166
  153   3HE   MET  20          3HE       MET  20  -6.044   8.898  10.038
  154    H    LYS  21           H        LYS  21  -5.959   9.303   5.493
  155    HA   LYS  21           HA       LYS  21  -6.182  10.727   2.977
  156   1HB   LYS  21          1HB       LYS  21  -5.585  12.405   4.829
  157   2HB   LYS  21          2HB       LYS  21  -4.094  11.520   5.050
  158   1HG   LYS  21          1HG       LYS  21  -4.878  12.890   2.476
  159   2HG   LYS  21          2HG       LYS  21  -3.893  13.628   3.738
  160   1HD   LYS  21          1HD       LYS  21  -2.260  11.838   3.488
  161   2HD   LYS  21          2HD       LYS  21  -3.253  11.115   2.231
  162   1HE   LYS  21          1HE       LYS  21  -2.948  13.133   0.867
  163   2HE   LYS  21          2HE       LYS  21  -1.921  13.805   2.140
  164   1HZ   LYS  21          1HZ       LYS  21  -1.409  11.288   0.670
  165   2HZ   LYS  21          2HZ       LYS  21  -0.437  11.916   1.885
  166   3HZ   LYS  21          3HZ       LYS  21  -0.565  12.742   0.426
  167    H    ARG  22           H        ARG  22  -5.125   9.549   1.476
  168    HA   ARG  22           HA       ARG  22  -3.294   7.426   2.373
  169   1HB   ARG  22          1HB       ARG  22  -4.091   6.162   0.424
  170   2HB   ARG  22          2HB       ARG  22  -5.443   6.971   1.100
  171   1HG   ARG  22          1HG       ARG  22  -5.532   8.570  -0.577
  172   2HG   ARG  22          2HG       ARG  22  -3.908   8.152  -1.132
  173   1HD   ARG  22          1HD       ARG  22  -6.271   6.286  -1.242
  174   2HD   ARG  22          2HD       ARG  22  -5.713   7.271  -2.590
  175    HE   ARG  22           HE       ARG  22  -3.520   5.809  -1.744
  176   1HH1  ARG  22          1HH1      ARG  22  -6.749   4.710  -2.532
  177   2HH1  ARG  22          2HH1      ARG  22  -6.231   3.493  -3.599
  178   1HH2  ARG  22          1HH2      ARG  22  -2.819   4.146  -2.980
  179   2HH2  ARG  22          2HH2      ARG  22  -3.884   3.156  -3.927
  180    H    ALA  23           H        ALA  23  -1.512   6.924   0.658
  181    HA   ALA  23           HA       ALA  23  -0.736   9.245  -0.930
  182   1HB   ALA  23          1HB       ALA  23   1.099   8.391   1.312
  183   2HB   ALA  23          2HB       ALA  23   0.131   9.864   1.292
  184   3HB   ALA  23          3HB       ALA  23   1.426   9.645   0.115
  185    H    GLY  24           H        GLY  24  -0.995   7.604  -2.607
  186   1HA   GLY  24          1HA       GLY  24   1.172   5.630  -2.620
  187   2HA   GLY  24          2HA       GLY  24  -0.353   5.466  -3.462
  188    H    PHE  25           H        PHE  25   2.697   7.025  -3.357
  189    HA   PHE  25           HA       PHE  25   2.472   8.258  -5.939
  190   1HB   PHE  25          1HB       PHE  25   4.898   7.610  -4.249
  191   2HB   PHE  25          2HB       PHE  25   4.965   8.498  -5.759
  192    HD1  PHE  25           HD1      PHE  25   3.928   8.605  -2.239
  193    HD2  PHE  25           HD2      PHE  25   4.298  10.783  -5.874
  194    HE1  PHE  25           HE1      PHE  25   3.615  10.711  -1.007
  195    HE2  PHE  25           HE2      PHE  25   3.983  12.886  -4.651
  196    HZ   PHE  25           HZ       PHE  25   3.641  12.859  -2.223
  197    H    ARG  26           H        ARG  26   4.441   5.608  -4.732
  198    HA   ARG  26           HA       ARG  26   4.901   4.746  -7.448
  199   1HB   ARG  26          1HB       ARG  26   6.063   4.038  -4.831
  200   2HB   ARG  26          2HB       ARG  26   6.253   2.942  -6.185
  201   1HG   ARG  26          1HG       ARG  26   7.031   5.832  -6.255
  202   2HG   ARG  26          2HG       ARG  26   8.110   4.488  -5.829
  203   1HD   ARG  26          1HD       ARG  26   7.703   3.452  -7.994
  204   2HD   ARG  26          2HD       ARG  26   6.582   4.735  -8.420
  205    HE   ARG  26           HE       ARG  26   9.064   5.836  -7.809
  206   1HH1  ARG  26          1HH1      ARG  26   7.497   3.835 -10.275
  207   2HH1  ARG  26          2HH1      ARG  26   8.425   4.391 -11.581
  208   1HH2  ARG  26          1HH2      ARG  26  10.409   6.628  -9.642
  209   2HH2  ARG  26          2HH2      ARG  26  10.146   6.010 -11.201
  210    H    GLU  27           H        GLU  27   3.264   3.602  -4.641
  211    HA   GLU  27           HA       GLU  27   2.716   1.137  -5.888
  212   1HB   GLU  27          1HB       GLU  27   1.998   2.275  -3.323
  213   2HB   GLU  27          2HB       GLU  27   1.006   0.934  -3.926
  214   1HG   GLU  27          1HG       GLU  27   3.002  -0.349  -4.257
  215   2HG   GLU  27          2HG       GLU  27   3.976   0.977  -3.626
  216    H    CYS  28           H        CYS  28   1.422   4.081  -6.423
  217    HA   CYS  28           HA       CYS  28  -1.248   3.745  -6.865
  218   1HB   CYS  28          1HB       CYS  28  -0.050   5.817  -7.424
  219   2HB   CYS  28          2HB       CYS  28   0.782   5.005  -8.739
  220    HG   CYS  28           HG       CYS  28  -2.477   5.929  -8.552
  221    H    ALA  29           H        ALA  29   1.423   2.664  -8.955
  222    HA   ALA  29           HA       ALA  29  -0.190   1.330 -10.884
  223   1HB   ALA  29          1HB       ALA  29   1.907   0.413 -11.691
  224   2HB   ALA  29          2HB       ALA  29   2.725   0.958 -10.229
  225   3HB   ALA  29          3HB       ALA  29   2.077   2.138 -11.369
  226    H    ALA  30           H        ALA  30   1.534   0.310  -8.022
  227    HA   ALA  30           HA       ALA  30   1.259  -2.438  -8.179
  228   1HB   ALA  30          1HB       ALA  30   1.302  -0.719  -5.731
  229   2HB   ALA  30          2HB       ALA  30   2.717  -1.267  -6.631
  230   3HB   ALA  30          3HB       ALA  30   1.682  -2.438  -5.812
  231    H    MET  31           H        MET  31  -0.796  -0.080  -6.587
  232    HA   MET  31           HA       MET  31  -2.547  -1.900  -5.360
  233   1HB   MET  31          1HB       MET  31  -4.160  -0.113  -5.067
  234   2HB   MET  31          2HB       MET  31  -2.547   0.532  -4.812
  235   1HG   MET  31          1HG       MET  31  -2.558   1.502  -7.024
  236   2HG   MET  31          2HG       MET  31  -4.130   0.786  -7.349
  237   1HE   MET  31          1HE       MET  31  -5.037   3.073  -8.141
  238   2HE   MET  31          2HE       MET  31  -3.454   3.793  -7.847
  239   3HE   MET  31          3HE       MET  31  -4.905   4.567  -7.214
  240    H    ILE  32           H        ILE  32  -2.666  -0.546  -8.597
  241    HA   ILE  32           HA       ILE  32  -5.186  -1.506  -9.374
  242    HB   ILE  32           HB       ILE  32  -2.686  -1.134 -11.025
  243   1HG1  ILE  32          1HG1      ILE  32  -3.310   0.933  -9.886
  244   2HG1  ILE  32          2HG1      ILE  32  -3.596   1.085 -11.614
  245   1HG2  ILE  32          1HG2      ILE  32  -4.299  -2.477 -12.254
  246   2HG2  ILE  32          2HG2      ILE  32  -4.217  -0.867 -12.969
  247   3HG2  ILE  32          3HG2      ILE  32  -5.573  -1.302 -11.928
  248   1HD1  ILE  32          1HD1      ILE  32  -5.685   0.597  -9.495
  249   2HD1  ILE  32          2HD1      ILE  32  -5.992   0.703 -11.227
  250   3HD1  ILE  32          3HD1      ILE  32  -5.387   2.109 -10.351
  251    H    GLU  33           H        GLU  33  -2.026  -2.982  -9.330
  252    HA   GLU  33           HA       GLU  33  -2.769  -5.380 -10.682
  253   1HB   GLU  33          1HB       GLU  33  -0.396  -4.819  -8.905
  254   2HB   GLU  33          2HB       GLU  33  -0.572  -6.124 -10.072
  255   1HG   GLU  33          1HG       GLU  33  -0.462  -3.200 -10.727
  256   2HG   GLU  33          2HG       GLU  33   0.859  -4.350 -10.917
  257    H    LYS  34           H        LYS  34  -2.286  -4.338  -7.383
  258    HA   LYS  34           HA       LYS  34  -2.529  -6.826  -6.131
  259   1HB   LYS  34          1HB       LYS  34  -2.725  -4.007  -5.163
  260   2HB   LYS  34          2HB       LYS  34  -2.989  -5.360  -4.067
  261   1HG   LYS  34          1HG       LYS  34  -0.886  -6.113  -4.228
  262   2HG   LYS  34          2HG       LYS  34  -0.537  -5.350  -5.771
  263   1HD   LYS  34          1HD       LYS  34  -0.551  -3.151  -4.566
  264   2HD   LYS  34          2HD       LYS  34  -0.763  -4.036  -3.050
  265   1HE   LYS  34          1HE       LYS  34   1.310  -5.310  -3.597
  266   2HE   LYS  34          2HE       LYS  34   1.560  -4.250  -4.969
  267   1HZ   LYS  34          1HZ       LYS  34   1.539  -3.431  -2.095
  268   2HZ   LYS  34          2HZ       LYS  34   1.712  -2.351  -3.293
  269   3HZ   LYS  34          3HZ       LYS  34   2.865  -3.553  -3.085
  270    H    LYS  35           H        LYS  35  -4.863  -4.747  -7.414
  271    HA   LYS  35           HA       LYS  35  -7.105  -5.472  -5.851
  272   1HB   LYS  35          1HB       LYS  35  -7.118  -3.544  -7.356
  273   2HB   LYS  35          2HB       LYS  35  -6.943  -4.616  -8.744
  274   1HG   LYS  35          1HG       LYS  35  -9.076  -5.732  -7.865
  275   2HG   LYS  35          2HG       LYS  35  -9.288  -4.248  -6.939
  276   1HD   LYS  35          1HD       LYS  35  -9.305  -2.955  -8.959
  277   2HD   LYS  35          2HD       LYS  35  -8.919  -4.389  -9.918
  278   1HE   LYS  35          1HE       LYS  35 -11.392  -3.955  -8.274
  279   2HE   LYS  35          2HE       LYS  35 -11.289  -3.916 -10.046
  280   1HZ   LYS  35          1HZ       LYS  35 -10.847  -6.303  -8.304
  281   2HZ   LYS  35          2HZ       LYS  35 -10.709  -6.290  -9.987
  282   3HZ   LYS  35          3HZ       LYS  35 -12.184  -5.992  -9.261
  283    H    ALA  36           H        ALA  36  -5.336  -7.061  -8.395
  284    HA   ALA  36           HA       ALA  36  -7.447  -8.624  -9.335
  285   1HB   ALA  36          1HB       ALA  36  -4.480  -9.136  -9.563
  286   2HB   ALA  36          2HB       ALA  36  -5.468  -8.217 -10.701
  287   3HB   ALA  36          3HB       ALA  36  -5.732  -9.950 -10.499
  288    H    ARG  37           H        ARG  37  -4.744  -9.317  -7.154
  289    HA   ARG  37           HA       ARG  37  -6.302 -11.180  -5.646
  290   1HB   ARG  37          1HB       ARG  37  -5.714 -12.636  -7.508
  291   2HB   ARG  37          2HB       ARG  37  -4.024 -12.172  -7.326
  292   1HG   ARG  37          1HG       ARG  37  -3.961 -13.250  -5.131
  293   2HG   ARG  37          2HG       ARG  37  -5.632 -13.775  -5.351
  294   1HD   ARG  37          1HD       ARG  37  -3.942 -15.519  -5.894
  295   2HD   ARG  37          2HD       ARG  37  -5.028 -15.132  -7.226
  296    HE   ARG  37           HE       ARG  37  -3.262 -13.978  -8.309
  297   1HH1  ARG  37          1HH1      ARG  37  -2.090 -15.541  -5.351
  298   2HH1  ARG  37          2HH1      ARG  37  -0.503 -15.729  -5.915
  299   1HH2  ARG  37          1HH2      ARG  37  -1.107 -14.272  -9.098
  300   2HH2  ARG  37          2HH2      ARG  37   0.074 -15.018  -8.119
  301    H    ARG  38           H        ARG  38  -2.899 -10.972  -6.476
  302    HA   ARG  38           HA       ARG  38  -2.152  -9.635  -4.118
  303   1HB   ARG  38          1HB       ARG  38  -2.262 -11.779  -3.075
  304   2HB   ARG  38          2HB       ARG  38  -1.599 -12.570  -4.500
  305   1HG   ARG  38          1HG       ARG  38   0.539 -11.340  -4.067
  306   2HG   ARG  38          2HG       ARG  38  -0.143 -10.849  -2.520
  307   1HD   ARG  38          1HD       ARG  38  -0.197 -13.053  -1.721
  308   2HD   ARG  38          2HD       ARG  38   0.006 -13.736  -3.338
  309    HE   ARG  38           HE       ARG  38   2.222 -12.317  -3.071
  310   1HH1  ARG  38          1HH1      ARG  38   0.776 -14.697  -0.918
  311   2HH1  ARG  38          2HH1      ARG  38   2.266 -15.210  -0.254
  312   1HH2  ARG  38          1HH2      ARG  38   4.287 -13.063  -2.198
  313   2HH2  ARG  38          2HH2      ARG  38   4.293 -14.280  -1.033
  314    H    VAL  39           H        VAL  39  -0.516  -8.369  -5.018
  315    HA   VAL  39           HA       VAL  39   1.225  -9.683  -6.947
  316    HB   VAL  39           HB       VAL  39  -0.027  -6.963  -7.428
  317   1HG1  VAL  39          1HG1      VAL  39   1.868  -8.572  -9.160
  318   2HG1  VAL  39          2HG1      VAL  39   2.269  -7.092  -8.294
  319   3HG1  VAL  39          3HG1      VAL  39   1.125  -7.045  -9.632
  320   1HG2  VAL  39          1HG2      VAL  39  -1.599  -8.783  -7.855
  321   2HG2  VAL  39          2HG2      VAL  39  -0.433  -9.550  -8.933
  322   3HG2  VAL  39          3HG2      VAL  39  -1.135  -7.994  -9.359
  323    H    VAL  40           H        VAL  40   3.299  -8.976  -6.947
  324    HA   VAL  40           HA       VAL  40   4.077  -7.132  -4.828
  325    HB   VAL  40           HB       VAL  40   5.233  -9.344  -4.846
  326   1HG1  VAL  40          1HG1      VAL  40   5.103  -9.877  -7.191
  327   2HG1  VAL  40          2HG1      VAL  40   6.777  -9.943  -6.642
  328   3HG1  VAL  40          3HG1      VAL  40   6.205  -8.558  -7.574
  329   1HG2  VAL  40          1HG2      VAL  40   7.568  -8.561  -4.874
  330   2HG2  VAL  40          2HG2      VAL  40   6.499  -7.471  -3.983
  331   3HG2  VAL  40          3HG2      VAL  40   7.035  -7.050  -5.611
  332    H    HIS  41           H        HIS  41   5.429  -5.296  -5.342
  333    HA   HIS  41           HA       HIS  41   5.626  -4.703  -8.151
  334   1HB   HIS  41          1HB       HIS  41   3.470  -3.756  -7.292
  335   2HB   HIS  41          2HB       HIS  41   4.383  -2.860  -6.095
  336    HD1  HIS  41           HD1      HIS  41   3.847  -2.981  -9.882
  337    HD2  HIS  41           HD2      HIS  41   5.159  -0.351  -6.931
  338    HE1  HIS  41           HE1      HIS  41   4.237  -0.788 -11.007
  339    H    ILE  42           H        ILE  42   7.605  -4.132  -8.437
  340    HA   ILE  42           HA       ILE  42   9.264  -3.475  -6.209
  341    HB   ILE  42           HB       ILE  42   9.824  -3.716  -9.178
  342   1HG1  ILE  42          1HG1      ILE  42  10.497  -5.516  -6.844
  343   2HG1  ILE  42          2HG1      ILE  42   9.302  -5.825  -8.094
  344   1HG2  ILE  42          1HG2      ILE  42  11.808  -3.283  -6.921
  345   2HG2  ILE  42          2HG2      ILE  42  11.410  -2.117  -8.184
  346   3HG2  ILE  42          3HG2      ILE  42  12.234  -3.618  -8.601
  347   1HD1  ILE  42          1HD1      ILE  42  12.280  -5.649  -8.488
  348   2HD1  ILE  42          2HD1      ILE  42  11.089  -5.953  -9.752
  349   3HD1  ILE  42          3HD1      ILE  42  11.315  -7.126  -8.454
  350    H    LYS  43           H        LYS  43  10.038  -1.548  -5.762
  351    HA   LYS  43           HA       LYS  43  10.229   0.700  -5.602
  352   1HB   LYS  43          1HB       LYS  43   9.047   0.823  -8.401
  353   2HB   LYS  43          2HB       LYS  43   9.603   2.223  -7.507
  354   1HG   LYS  43          1HG       LYS  43  11.870   1.444  -7.617
  355   2HG   LYS  43          2HG       LYS  43  11.346  -0.077  -8.341
  356   1HD   LYS  43          1HD       LYS  43  10.523   1.092 -10.302
  357   2HD   LYS  43          2HD       LYS  43  10.942   2.644  -9.581
  358   1HE   LYS  43          1HE       LYS  43  12.938   0.467 -10.158
  359   2HE   LYS  43          2HE       LYS  43  12.579   1.788 -11.272
  360   1HZ   LYS  43          1HZ       LYS  43  13.337   3.350  -9.644
  361   2HZ   LYS  43          2HZ       LYS  43  14.545   2.177  -9.857
  362   3HZ   LYS  43          3HZ       LYS  43  13.573   2.147  -8.497
  363    HA   PRO  44           HA       PRO  44   5.753   0.870  -4.617
  364   1HB   PRO  44          1HB       PRO  44   5.723   0.128  -2.071
  365   2HB   PRO  44          2HB       PRO  44   5.880  -1.077  -3.364
  366   1HG   PRO  44          1HG       PRO  44   8.031   0.141  -1.666
  367   2HG   PRO  44          2HG       PRO  44   7.756  -1.570  -2.049
  368   1HD   PRO  44          1HD       PRO  44   9.542  -0.025  -3.402
  369   2HD   PRO  44          2HD       PRO  44   8.671  -1.399  -4.106
  370    H    GLY  45           H        GLY  45   4.685   2.403  -3.000
  371   1HA   GLY  45          1HA       GLY  45   6.148   3.990  -1.256
  372   2HA   GLY  45          2HA       GLY  45   6.074   4.812  -2.808
  373    H    GLU  46           H        GLU  46   3.774   2.862  -0.916
  374    HA   GLU  46           HA       GLU  46   1.938   5.124  -0.921
  375   1HB   GLU  46          1HB       GLU  46   0.976   3.579  -2.336
  376   2HB   GLU  46          2HB       GLU  46   1.493   2.194  -1.404
  377   1HG   GLU  46          1HG       GLU  46  -0.874   2.347  -1.200
  378   2HG   GLU  46          2HG       GLU  46  -0.219   2.922   0.328
  379    H    LYS  47           H        LYS  47   0.829   5.489   0.877
  380    HA   LYS  47           HA       LYS  47   1.274   3.915   3.234
  381   1HB   LYS  47          1HB       LYS  47   1.953   6.837   2.960
  382   2HB   LYS  47          2HB       LYS  47   1.513   6.150   4.507
  383   1HG   LYS  47          1HG       LYS  47   3.737   4.929   2.936
  384   2HG   LYS  47          2HG       LYS  47   4.019   6.427   3.815
  385   1HD   LYS  47          1HD       LYS  47   4.696   4.596   5.230
  386   2HD   LYS  47          2HD       LYS  47   3.226   5.286   5.887
  387   1HE   LYS  47          1HE       LYS  47   1.911   3.458   5.030
  388   2HE   LYS  47          2HE       LYS  47   3.312   2.787   4.180
  389   1HZ   LYS  47          1HZ       LYS  47   2.999   3.013   7.147
  390   2HZ   LYS  47          2HZ       LYS  47   4.349   2.440   6.335
  391   3HZ   LYS  47          3HZ       LYS  47   2.928   1.590   6.227
  392    H    ILE  48           H        ILE  48  -0.834   3.315   2.717
  393    HA   ILE  48           HA       ILE  48  -2.819   5.251   2.475
  394    HB   ILE  48           HB       ILE  48  -4.454   3.389   2.880
  395   1HG1  ILE  48          1HG1      ILE  48  -2.009   1.606   2.746
  396   2HG1  ILE  48          2HG1      ILE  48  -2.973   1.893   4.187
  397   1HG2  ILE  48          1HG2      ILE  48  -2.531   3.076   0.611
  398   2HG2  ILE  48          2HG2      ILE  48  -3.999   4.055   0.658
  399   3HG2  ILE  48          3HG2      ILE  48  -4.108   2.299   0.705
  400   1HD1  ILE  48          1HD1      ILE  48  -4.892   0.835   3.098
  401   2HD1  ILE  48          2HD1      ILE  48  -3.501  -0.248   3.175
  402   3HD1  ILE  48          3HD1      ILE  48  -3.912   0.554   1.659
  403    H    LEU  49           H        LEU  49  -3.122   6.533   4.028
  404    HA   LEU  49           HA       LEU  49  -3.985   7.460   5.838
  405   1HB   LEU  49          1HB       LEU  49  -4.657   4.786   7.043
  406   2HB   LEU  49          2HB       LEU  49  -5.382   6.327   7.404
  407    HG   LEU  49           HG       LEU  49  -7.054   5.505   6.219
  408   1HD1  LEU  49          1HD1      LEU  49  -7.131   6.024   3.897
  409   2HD1  LEU  49          2HD1      LEU  49  -5.397   6.336   3.920
  410   3HD1  LEU  49          3HD1      LEU  49  -6.483   7.338   4.883
  411   1HD2  LEU  49          1HD2      LEU  49  -5.166   3.721   4.718
  412   2HD2  LEU  49          2HD2      LEU  49  -6.908   3.772   4.453
  413   3HD2  LEU  49          3HD2      LEU  49  -6.268   3.268   6.019
  414    H    GLY  50           H        GLY  50  -1.739   5.037   6.192
  415   1HA   GLY  50          1HA       GLY  50   0.281   5.283   7.481
  416   2HA   GLY  50          2HA       GLY  50  -0.638   6.226   8.662
  417    H    ALA  51           H        ALA  51  -2.956   4.462   8.445
  418    HA   ALA  51           HA       ALA  51  -1.990   2.112   9.827
  419   1HB   ALA  51          1HB       ALA  51  -4.421   3.827  10.388
  420   2HB   ALA  51          2HB       ALA  51  -3.019   3.643  11.437
  421   3HB   ALA  51          3HB       ALA  51  -4.095   2.274  11.153
  422    H    ARG  52           H        ARG  52  -3.252   0.271   9.187
  423    HA   ARG  52           HA       ARG  52  -4.574   0.912   6.686
  424   1HB   ARG  52          1HB       ARG  52  -4.305  -1.510   6.035
  425   2HB   ARG  52          2HB       ARG  52  -2.842  -0.552   6.138
  426   1HG   ARG  52          1HG       ARG  52  -3.348  -1.858   8.643
  427   2HG   ARG  52          2HG       ARG  52  -3.361  -3.030   7.324
  428   1HD   ARG  52          1HD       ARG  52  -1.121  -2.809   8.213
  429   2HD   ARG  52          2HD       ARG  52  -1.172  -2.183   6.574
  430    HE   ARG  52           HE       ARG  52  -1.591  -0.072   8.351
  431   1HH1  ARG  52          1HH1      ARG  52   1.000  -2.256   7.345
  432   2HH1  ARG  52          2HH1      ARG  52   2.270  -1.237   7.803
  433   1HH2  ARG  52          1HH2      ARG  52   0.177   1.416   9.005
  434   2HH2  ARG  52          2HH2      ARG  52   1.771   0.891   8.798
  435    H    ILE  53           H        ILE  53  -6.577   1.379   6.996
  436    HA   ILE  53           HA       ILE  53  -8.192  -0.600   8.386
  437    HB   ILE  53           HB       ILE  53  -8.658   2.344   7.849
  438   1HG1  ILE  53          1HG1      ILE  53  -9.072   2.374  10.418
  439   2HG1  ILE  53          2HG1      ILE  53  -8.259   0.817  10.412
  440   1HG2  ILE  53          1HG2      ILE  53 -10.574   0.331   9.081
  441   2HG2  ILE  53          2HG2      ILE  53 -10.763   1.116   7.515
  442   3HG2  ILE  53          3HG2      ILE  53 -10.871   2.066   8.998
  443   1HD1  ILE  53          1HD1      ILE  53  -6.747   2.601  11.004
  444   2HD1  ILE  53          2HD1      ILE  53  -7.099   3.429   9.488
  445   3HD1  ILE  53          3HD1      ILE  53  -6.273   1.870   9.471
  446    H    ILE  54           H        ILE  54  -9.255  -1.815   6.970
  447    HA   ILE  54           HA       ILE  54  -9.263  -0.984   4.208
  448    HB   ILE  54           HB       ILE  54  -9.849  -3.600   5.592
  449   1HG1  ILE  54          1HG1      ILE  54  -8.087  -4.469   4.054
  450   2HG1  ILE  54          2HG1      ILE  54  -7.902  -2.863   3.385
  451   1HG2  ILE  54          1HG2      ILE  54 -10.419  -3.105   2.678
  452   2HG2  ILE  54          2HG2      ILE  54 -11.591  -3.435   3.941
  453   3HG2  ILE  54          3HG2      ILE  54 -10.421  -4.673   3.487
  454   1HD1  ILE  54          1HD1      ILE  54  -7.282  -3.729   6.197
  455   2HD1  ILE  54          2HD1      ILE  54  -7.142  -2.079   5.593
  456   3HD1  ILE  54          3HD1      ILE  54  -6.119  -3.350   4.925
  457    H    GLY  55           H        GLY  55 -11.547  -1.527   6.765
  458   1HA   GLY  55          1HA       GLY  55 -13.667  -0.508   6.900
  459   2HA   GLY  55          2HA       GLY  55 -13.593  -0.186   5.168
  460    H    ILE  56           H        ILE  56 -12.554  -3.202   5.531
  461    HA   ILE  56           HA       ILE  56 -15.151  -4.548   5.500
  462    HB   ILE  56           HB       ILE  56 -12.936  -4.978   3.428
  463   1HG1  ILE  56          1HG1      ILE  56 -15.713  -3.841   3.006
  464   2HG1  ILE  56          2HG1      ILE  56 -14.226  -2.904   2.995
  465   1HG2  ILE  56          1HG2      ILE  56 -14.469  -6.552   2.360
  466   2HG2  ILE  56          2HG2      ILE  56 -15.639  -6.278   3.649
  467   3HG2  ILE  56          3HG2      ILE  56 -14.090  -7.038   4.016
  468   1HD1  ILE  56          1HD1      ILE  56 -14.964  -5.081   1.045
  469   2HD1  ILE  56          2HD1      ILE  56 -13.475  -4.134   1.016
  470   3HD1  ILE  56          3HD1      ILE  56 -15.028  -3.346   0.736
  471    HA   PRO  57           HA       PRO  57 -12.747  -6.905   8.512
  472   1HB   PRO  57          1HB       PRO  57 -14.436  -9.164   7.558
  473   2HB   PRO  57          2HB       PRO  57 -14.137  -8.603   9.205
  474   1HG   PRO  57          1HG       PRO  57 -16.446  -8.074   8.027
  475   2HG   PRO  57          2HG       PRO  57 -15.645  -6.844   9.022
  476   1HD   PRO  57          1HD       PRO  57 -15.801  -7.072   6.047
  477   2HD   PRO  57          2HD       PRO  57 -15.879  -5.627   7.078
  478    HA   PRO  58           HA       PRO  58 -10.156  -9.282   5.615
  479   1HB   PRO  58          1HB       PRO  58  -8.002  -7.829   5.779
  480   2HB   PRO  58          2HB       PRO  58  -9.466  -7.120   5.077
  481   1HG   PRO  58          1HG       PRO  58  -8.214  -6.582   7.723
  482   2HG   PRO  58          2HG       PRO  58  -9.198  -5.512   6.709
  483   1HD   PRO  58          1HD       PRO  58 -10.055  -7.211   8.913
  484   2HD   PRO  58          2HD       PRO  58 -11.013  -6.041   7.968
  485    H    VAL  59           H        VAL  59  -7.714  -9.936   5.990
  486    HA   VAL  59           HA       VAL  59  -7.351 -10.832   8.765
  487    HB   VAL  59           HB       VAL  59  -6.085 -12.031   6.269
  488   1HG1  VAL  59          1HG1      VAL  59  -6.201 -13.052   9.101
  489   2HG1  VAL  59          2HG1      VAL  59  -4.790 -12.381   8.290
  490   3HG1  VAL  59          3HG1      VAL  59  -5.486 -13.903   7.732
  491   1HG2  VAL  59          1HG2      VAL  59  -8.493 -12.426   6.197
  492   2HG2  VAL  59          2HG2      VAL  59  -8.450 -13.072   7.836
  493   3HG2  VAL  59          3HG2      VAL  59  -7.630 -13.928   6.527
  494    HA   PRO  60           HA       PRO  60  -4.140  -7.573   8.401
  495   1HB   PRO  60          1HB       PRO  60  -3.586  -8.557  11.136
  496   2HB   PRO  60          2HB       PRO  60  -3.893  -6.908  10.584
  497   1HG   PRO  60          1HG       PRO  60  -5.735  -8.205  11.965
  498   2HG   PRO  60          2HG       PRO  60  -6.200  -7.209  10.582
  499   1HD   PRO  60          1HD       PRO  60  -5.921 -10.184  10.741
  500   2HD   PRO  60          2HD       PRO  60  -7.191  -9.200   9.970
  501    H    ILE  61           H        ILE  61  -2.319  -8.045   7.314
  502    HA   ILE  61           HA       ILE  61  -0.701 -10.201   8.422
  503    HB   ILE  61           HB       ILE  61  -1.189  -9.723   5.459
  504   1HG1  ILE  61          1HG1      ILE  61  -3.029 -10.958   6.544
  505   2HG1  ILE  61          2HG1      ILE  61  -2.146 -11.966   5.408
  506   1HG2  ILE  61          1HG2      ILE  61   0.298 -11.646   5.068
  507   2HG2  ILE  61          2HG2      ILE  61   0.631 -11.730   6.798
  508   3HG2  ILE  61          3HG2      ILE  61   1.138 -10.318   5.872
  509   1HD1  ILE  61          1HD1      ILE  61  -2.727 -13.192   7.423
  510   2HD1  ILE  61          2HD1      ILE  61  -1.863 -12.015   8.409
  511   3HD1  ILE  61          3HD1      ILE  61  -0.976 -13.035   7.275
  512    H    GLY  62           H        GLY  62   0.762  -8.993   9.329
  513   1HA   GLY  62          1HA       GLY  62   2.096  -7.059   7.612
  514   2HA   GLY  62          2HA       GLY  62   1.952  -6.830   9.359
  515    H    ILE  63           H        ILE  63   3.358  -8.683   6.846
  516    HA   ILE  63           HA       ILE  63   5.402  -9.788   8.672
  517    HB   ILE  63           HB       ILE  63   4.255 -11.051   6.158
  518   1HG1  ILE  63          1HG1      ILE  63   2.712 -11.264   8.061
  519   2HG1  ILE  63          2HG1      ILE  63   3.374 -12.826   7.610
  520   1HG2  ILE  63          1HG2      ILE  63   6.610 -11.556   6.333
  521   2HG2  ILE  63          2HG2      ILE  63   5.660 -13.004   6.667
  522   3HG2  ILE  63          3HG2      ILE  63   6.394 -12.108   7.995
  523   1HD1  ILE  63          1HD1      ILE  63   4.927 -12.700   9.502
  524   2HD1  ILE  63          2HD1      ILE  63   3.244 -12.591  10.017
  525   3HD1  ILE  63          3HD1      ILE  63   4.240 -11.138   9.953
  526    H    ASP  64           H        ASP  64   7.237  -8.723   8.263
  527    HA   ASP  64           HA       ASP  64   7.818  -8.099   5.472
  528   1HB   ASP  64          1HB       ASP  64   8.936  -6.010   6.180
  529   2HB   ASP  64          2HB       ASP  64   7.196  -5.993   6.438
  530    H    GLU  65           H        GLU  65   9.622  -8.788   4.695
  531    HA   GLU  65           HA       GLU  65  11.538 -10.010   6.473
  532   1HB   GLU  65          1HB       GLU  65  11.420  -9.792   3.462
  533   2HB   GLU  65          2HB       GLU  65  12.756 -10.557   4.313
  534   1HG   GLU  65          1HG       GLU  65  11.228 -12.166   5.291
  535   2HG   GLU  65          2HG       GLU  65   9.873 -11.401   4.465
  536    H    GLU  66           H        GLU  66  11.512  -7.363   4.149
  537    HA   GLU  66           HA       GLU  66  13.154  -5.702   5.714
  538   1HB   GLU  66          1HB       GLU  66  14.856  -7.308   4.673
  539   2HB   GLU  66          2HB       GLU  66  14.331  -6.690   3.107
  540   1HG   GLU  66          1HG       GLU  66  14.974  -4.396   3.987
  541   2HG   GLU  66          2HG       GLU  66  15.802  -5.258   5.286
  542    H    ARG  67           H        ARG  67  13.465  -3.673   4.370
  543    HA   ARG  67           HA       ARG  67  11.067  -3.174   2.907
  544   1HB   ARG  67          1HB       ARG  67  12.121  -1.516   4.439
  545   2HB   ARG  67          2HB       ARG  67  13.419  -1.360   3.267
  546   1HG   ARG  67          1HG       ARG  67  11.605   0.441   3.240
  547   2HG   ARG  67          2HG       ARG  67  12.032  -0.297   1.695
  548   1HD   ARG  67          1HD       ARG  67  10.090  -1.454   1.535
  549   2HD   ARG  67          2HD       ARG  67   9.842  -1.528   3.278
  550    HE   ARG  67           HE       ARG  67   8.559   0.299   3.123
  551   1HH1  ARG  67          1HH1      ARG  67  10.551   0.291   0.218
  552   2HH1  ARG  67          2HH1      ARG  67   9.866   1.728  -0.423
  553   1HH2  ARG  67          1HH2      ARG  67   7.572   2.240   2.170
  554   2HH2  ARG  67          2HH2      ARG  67   8.170   2.829   0.679
  555    H    SER  68           H        SER  68  14.360  -3.861   2.055
  556    HA   SER  68           HA       SER  68  13.617  -3.276  -0.644
  557   1HB   SER  68          1HB       SER  68  15.733  -2.288   0.134
  558   2HB   SER  68          2HB       SER  68  16.354  -3.885   0.550
  559    HG   SER  68           HG       SER  68  15.491  -3.417  -2.056
  560    H    THR  69           H        THR  69  12.478  -5.367   0.720
  561    HA   THR  69           HA       THR  69  13.070  -7.582  -1.029
  562    HB   THR  69           HB       THR  69  12.881  -7.950   1.986
  563    HG1  THR  69           HG1      THR  69  14.971  -7.313   0.379
  564   1HG2  THR  69          1HG2      THR  69  13.676 -10.248   1.517
  565   2HG2  THR  69          2HG2      THR  69  13.700  -9.883  -0.207
  566   3HG2  THR  69          3HG2      THR  69  12.168  -9.913   0.667
  567    H    VAL  70           H        VAL  70  11.182  -9.093  -0.896
  568    HA   VAL  70           HA       VAL  70   8.716  -7.714  -0.968
  569    HB   VAL  70           HB       VAL  70   7.692  -9.927  -1.260
  570   1HG1  VAL  70          1HG1      VAL  70   8.803 -10.512  -3.353
  571   2HG1  VAL  70          2HG1      VAL  70  10.163  -9.482  -2.898
  572   3HG1  VAL  70          3HG1      VAL  70   8.572  -8.774  -3.166
  573   1HG2  VAL  70          1HG2      VAL  70  10.486 -10.985  -0.857
  574   2HG2  VAL  70          2HG2      VAL  70   9.112 -11.925  -1.430
  575   3HG2  VAL  70          3HG2      VAL  70   9.107 -11.262   0.207
  576    H    MET  71           H        MET  71   7.433  -7.125   0.465
  577    HA   MET  71           HA       MET  71   7.147  -8.687   2.934
  578   1HB   MET  71          1HB       MET  71   6.923  -6.679   4.255
  579   2HB   MET  71          2HB       MET  71   8.467  -6.620   3.412
  580   1HG   MET  71          1HG       MET  71   7.687  -4.991   1.908
  581   2HG   MET  71          2HG       MET  71   6.008  -5.260   2.363
  582   1HE   MET  71          1HE       MET  71   9.379  -3.704   3.342
  583   2HE   MET  71          2HE       MET  71   9.184  -4.855   4.656
  584   3HE   MET  71          3HE       MET  71   9.141  -3.110   4.985
  585    H    ILE  72           H        ILE  72   5.086  -8.590   3.844
  586    HA   ILE  72           HA       ILE  72   2.985  -7.400   2.185
  587    HB   ILE  72           HB       ILE  72   2.761  -9.939   3.870
  588   1HG1  ILE  72          1HG1      ILE  72   2.817  -9.660   0.861
  589   2HG1  ILE  72          2HG1      ILE  72   4.130 -10.308   1.833
  590   1HG2  ILE  72          1HG2      ILE  72   0.541 -10.166   2.815
  591   2HG2  ILE  72          2HG2      ILE  72   0.794  -8.639   1.971
  592   3HG2  ILE  72          3HG2      ILE  72   0.680  -8.663   3.730
  593   1HD1  ILE  72          1HD1      ILE  72   2.690 -12.173   2.519
  594   2HD1  ILE  72          2HD1      ILE  72   2.865 -12.093   0.766
  595   3HD1  ILE  72          3HD1      ILE  72   1.385 -11.519   1.531
  596    HA   PRO  73           HA       PRO  73   2.760  -5.731   6.418
  597   1HB   PRO  73          1HB       PRO  73   3.192  -3.210   5.867
  598   2HB   PRO  73          2HB       PRO  73   4.498  -4.392   5.696
  599   1HG   PRO  73          1HG       PRO  73   2.929  -3.010   3.581
  600   2HG   PRO  73          2HG       PRO  73   4.588  -3.626   3.526
  601   1HD   PRO  73          1HD       PRO  73   2.170  -4.924   2.616
  602   2HD   PRO  73          2HD       PRO  73   3.838  -5.524   2.530
  603    H    TYR  74           H        TYR  74   0.203  -6.421   5.058
  604    HA   TYR  74           HA       TYR  74  -1.290  -4.171   5.860
  605   1HB   TYR  74          1HB       TYR  74  -1.472  -5.176   3.045
  606   2HB   TYR  74          2HB       TYR  74  -2.691  -4.175   3.835
  607    HD1  TYR  74           HD1      TYR  74  -1.959  -1.841   4.619
  608    HD2  TYR  74           HD2      TYR  74   0.362  -4.167   1.930
  609    HE1  TYR  74           HE1      TYR  74  -0.731   0.176   3.949
  610    HE2  TYR  74           HE2      TYR  74   1.602  -2.152   1.244
  611    HH   TYR  74           HH       TYR  74   1.377   0.277   1.253
  612    H    THR  75           H        THR  75  -2.636  -6.300   3.826
  613    HA   THR  75           HA       THR  75  -3.688  -8.058   5.902
  614    HB   THR  75           HB       THR  75  -5.920  -7.401   5.012
  615    HG1  THR  75           HG1      THR  75  -4.961  -4.789   4.846
  616   1HG2  THR  75          1HG2      THR  75  -6.213  -5.559   6.757
  617   2HG2  THR  75          2HG2      THR  75  -4.484  -5.756   7.090
  618   3HG2  THR  75          3HG2      THR  75  -5.612  -7.107   7.311
  619    H    LYS  76           H        LYS  76  -5.484  -9.321   4.948
  620    HA   LYS  76           HA       LYS  76  -5.349  -9.808   2.052
  621   1HB   LYS  76          1HB       LYS  76  -5.959 -11.756   4.307
  622   2HB   LYS  76          2HB       LYS  76  -6.139 -12.126   2.607
  623   1HG   LYS  76          1HG       LYS  76  -3.750 -11.894   2.280
  624   2HG   LYS  76          2HG       LYS  76  -3.554 -11.451   3.978
  625   1HD   LYS  76          1HD       LYS  76  -4.370 -13.620   4.677
  626   2HD   LYS  76          2HD       LYS  76  -4.708 -14.064   3.004
  627   1HE   LYS  76          1HE       LYS  76  -2.355 -13.904   2.480
  628   2HE   LYS  76          2HE       LYS  76  -1.978 -13.447   4.137
  629   1HZ   LYS  76          1HZ       LYS  76  -3.177 -16.032   3.297
  630   2HZ   LYS  76          2HZ       LYS  76  -2.768 -15.610   4.875
  631   3HZ   LYS  76          3HZ       LYS  76  -1.575 -15.794   3.709
  632    HA   PRO  77           HA       PRO  77  -9.570  -8.553   3.184
  633   1HB   PRO  77          1HB       PRO  77  -9.681  -6.275   1.813
  634   2HB   PRO  77          2HB       PRO  77  -8.802  -6.396   3.340
  635   1HG   PRO  77          1HG       PRO  77  -7.750  -6.111   0.616
  636   2HG   PRO  77          2HG       PRO  77  -6.969  -5.804   2.175
  637   1HD   PRO  77          1HD       PRO  77  -6.801  -8.173   0.480
  638   2HD   PRO  77          2HD       PRO  77  -5.842  -7.751   1.915
  639    H    CYS  78           H        CYS  78 -11.265  -7.451   1.584
  640    HA   CYS  78           HA       CYS  78 -11.938  -9.288  -0.444
  641   1HB   CYS  78          1HB       CYS  78 -13.595  -8.150   0.935
  642   2HB   CYS  78          2HB       CYS  78 -13.059  -6.590   0.334
  643    HG   CYS  78           HG       CYS  78 -13.836  -8.256  -2.284
  644    H    TYR  79           H        TYR  79 -10.133  -6.363  -0.340
  645    HA   TYR  79           HA       TYR  79 -10.481  -5.685  -3.070
  646   1HB   TYR  79          1HB       TYR  79  -9.941  -3.942  -1.453
  647   2HB   TYR  79          2HB       TYR  79  -8.416  -4.735  -1.072
  648    HD1  TYR  79           HD1      TYR  79 -10.274  -3.080  -3.827
  649    HD2  TYR  79           HD2      TYR  79  -6.469  -4.194  -2.282
  650    HE1  TYR  79           HE1      TYR  79  -9.176  -1.761  -5.580
  651    HE2  TYR  79           HE2      TYR  79  -5.364  -2.874  -4.034
  652    HH   TYR  79           HH       TYR  79  -5.867  -2.020  -6.259
  653    H    GLY  80           H        GLY  80  -7.451  -6.600  -1.362
  654   1HA   GLY  80          1HA       GLY  80  -6.787  -8.818  -2.815
  655   2HA   GLY  80          2HA       GLY  80  -6.157  -7.435  -3.711
  656    H    THR  81           H        THR  81  -4.429  -9.259  -2.669
  657    HA   THR  81           HA       THR  81  -3.450  -8.211  -0.129
  658    HB   THR  81           HB       THR  81  -2.340 -10.503  -1.724
  659    HG1  THR  81           HG1      THR  81  -4.738 -10.378  -0.953
  660   1HG2  THR  81          1HG2      THR  81  -1.626 -11.334   0.497
  661   2HG2  THR  81          2HG2      THR  81  -2.373  -9.929   1.255
  662   3HG2  THR  81          3HG2      THR  81  -0.986  -9.719   0.186
  663    H    ALA  82           H        ALA  82  -1.279  -7.582   0.094
  664    HA   ALA  82           HA       ALA  82  -0.256  -6.501  -2.413
  665   1HB   ALA  82          1HB       ALA  82  -0.449  -5.086   0.220
  666   2HB   ALA  82          2HB       ALA  82  -1.460  -4.801  -1.193
  667   3HB   ALA  82          3HB       ALA  82   0.269  -4.433  -1.249
  668    H    VAL  83           H        VAL  83   1.804  -7.025  -2.777
  669    HA   VAL  83           HA       VAL  83   3.669  -7.444  -0.515
  670    HB   VAL  83           HB       VAL  83   3.987  -8.486  -3.338
  671   1HG1  VAL  83          1HG1      VAL  83   5.239  -9.332  -0.738
  672   2HG1  VAL  83          2HG1      VAL  83   5.993  -8.351  -1.994
  673   3HG1  VAL  83          3HG1      VAL  83   5.575 -10.033  -2.322
  674   1HG2  VAL  83          1HG2      VAL  83   3.241 -10.698  -2.610
  675   2HG2  VAL  83          2HG2      VAL  83   1.943  -9.511  -2.508
  676   3HG2  VAL  83          3HG2      VAL  83   2.778 -10.035  -1.048
  677    H    VAL  84           H        VAL  84   5.288  -6.016  -0.494
  678    HA   VAL  84           HA       VAL  84   5.630  -4.415  -2.933
  679    HB   VAL  84           HB       VAL  84   5.649  -2.363  -1.804
  680   1HG1  VAL  84          1HG1      VAL  84   3.459  -3.129  -1.537
  681   2HG1  VAL  84          2HG1      VAL  84   3.929  -2.194  -0.122
  682   3HG1  VAL  84          3HG1      VAL  84   3.871  -3.953  -0.035
  683   1HG2  VAL  84          1HG2      VAL  84   6.367  -3.725   0.805
  684   2HG2  VAL  84          2HG2      VAL  84   6.222  -1.986   0.554
  685   3HG2  VAL  84          3HG2      VAL  84   7.506  -2.892  -0.249
  686    H    GLU  85           H        GLU  85   7.793  -4.005  -3.538
  687    HA   GLU  85           HA       GLU  85   9.865  -4.843  -1.702
  688   1HB   GLU  85          1HB       GLU  85   9.421  -6.860  -3.036
  689   2HB   GLU  85          2HB       GLU  85   9.627  -5.938  -4.525
  690   1HG   GLU  85          1HG       GLU  85  11.957  -5.598  -4.041
  691   2HG   GLU  85          2HG       GLU  85  11.742  -6.331  -2.448
  692    H    LEU  86           H        LEU  86  11.375  -3.359  -1.666
  693    HA   LEU  86           HA       LEU  86  11.318  -1.301  -3.731
  694   1HB   LEU  86          1HB       LEU  86  10.999  -0.716  -1.361
  695   2HB   LEU  86          2HB       LEU  86  12.575  -1.370  -0.993
  696    HG   LEU  86           HG       LEU  86  13.476   0.381  -2.599
  697   1HD1  LEU  86          1HD1      LEU  86  12.138   2.365  -2.891
  698   2HD1  LEU  86          2HD1      LEU  86  10.754   1.546  -2.165
  699   3HD1  LEU  86          3HD1      LEU  86  11.417   0.971  -3.694
  700   1HD2  LEU  86          1HD2      LEU  86  13.480   2.082  -0.843
  701   2HD2  LEU  86          2HD2      LEU  86  13.761   0.474  -0.185
  702   3HD2  LEU  86          3HD2      LEU  86  12.177   1.232  -0.021
  703    HA   PRO  87           HA       PRO  87  15.400  -2.941  -4.909
  704   1HB   PRO  87          1HB       PRO  87  15.944  -1.301  -6.944
  705   2HB   PRO  87          2HB       PRO  87  14.633  -2.483  -7.071
  706   1HG   PRO  87          1HG       PRO  87  14.493   0.452  -6.526
  707   2HG   PRO  87          2HG       PRO  87  13.454  -0.545  -7.555
  708   1HD   PRO  87          1HD       PRO  87  12.844   0.243  -4.972
  709   2HD   PRO  87          2HD       PRO  87  12.116  -1.148  -5.804
  710    H    VAL  88           H        VAL  88  14.723  -0.091  -3.489
  711    HA   VAL  88           HA       VAL  88  17.432   1.046  -3.522
  712    HB   VAL  88           HB       VAL  88  14.939   2.288  -2.325
  713   1HG1  VAL  88          1HG1      VAL  88  17.508   3.571  -3.242
  714   2HG1  VAL  88          2HG1      VAL  88  16.998   3.312  -1.574
  715   3HG1  VAL  88          3HG1      VAL  88  16.102   4.422  -2.605
  716   1HG2  VAL  88          1HG2      VAL  88  14.457   1.873  -4.660
  717   2HG2  VAL  88          2HG2      VAL  88  15.957   2.671  -5.135
  718   3HG2  VAL  88          3HG2      VAL  88  14.662   3.600  -4.377
  719    H    ASP  89           H        ASP  89  18.141   1.841  -1.336
  720    HA   ASP  89           HA       ASP  89  18.204  -0.297   0.476
  721   1HB   ASP  89          1HB       ASP  89  20.029   1.319   0.126
  722   2HB   ASP  89          2HB       ASP  89  19.043   2.587   0.812
  723    HA   PRO  90           HA       PRO  90  14.609   0.313   3.065
  724   1HB   PRO  90          1HB       PRO  90  16.030  -0.038   5.505
  725   2HB   PRO  90          2HB       PRO  90  15.068  -1.228   4.635
  726   1HG   PRO  90          1HG       PRO  90  17.998  -0.845   4.668
  727   2HG   PRO  90          2HG       PRO  90  17.049  -2.296   4.326
  728   1HD   PRO  90          1HD       PRO  90  18.364  -0.922   2.430
  729   2HD   PRO  90          2HD       PRO  90  16.852  -1.794   2.102
  730    H    GLU  91           H        GLU  91  17.341   2.411   3.274
  731    HA   GLU  91           HA       GLU  91  16.637   4.150   5.356
  732   1HB   GLU  91          1HB       GLU  91  17.883   5.878   4.136
  733   2HB   GLU  91          2HB       GLU  91  18.762   4.360   4.275
  734   1HG   GLU  91          1HG       GLU  91  18.279   3.798   2.029
  735   2HG   GLU  91          2HG       GLU  91  17.189   5.165   1.845
  736    H    GLU  92           H        GLU  92  15.175   3.665   2.311
  737    HA   GLU  92           HA       GLU  92  13.875   6.112   1.994
  738   1HB   GLU  92          1HB       GLU  92  13.069   3.341   1.158
  739   2HB   GLU  92          2HB       GLU  92  12.114   4.763   0.757
  740   1HG   GLU  92          1HG       GLU  92  15.000   4.370  -0.002
  741   2HG   GLU  92          2HG       GLU  92  13.626   4.051  -1.058
  742    H    ILE  93           H        ILE  93  13.376   3.654   4.346
  743    HA   ILE  93           HA       ILE  93  10.681   4.192   4.960
  744    HB   ILE  93           HB       ILE  93  12.918   3.147   6.662
  745   1HG1  ILE  93          1HG1      ILE  93  12.182   1.661   4.879
  746   2HG1  ILE  93          2HG1      ILE  93  11.797   0.979   6.453
  747   1HG2  ILE  93          1HG2      ILE  93  11.316   4.224   8.171
  748   2HG2  ILE  93          2HG2      ILE  93  11.264   2.473   8.366
  749   3HG2  ILE  93          3HG2      ILE  93   9.998   3.294   7.454
  750   1HD1  ILE  93          1HD1      ILE  93   9.862   2.344   4.581
  751   2HD1  ILE  93          2HD1      ILE  93   9.471   1.740   6.188
  752   3HD1  ILE  93          3HD1      ILE  93   9.965   0.616   4.923
  753    H    GLU  94           H        GLU  94  13.679   5.791   5.968
  754    HA   GLU  94           HA       GLU  94  12.511   7.467   7.918
  755   1HB   GLU  94          1HB       GLU  94  14.919   7.916   6.134
  756   2HB   GLU  94          2HB       GLU  94  14.427   9.071   7.356
  757   1HG   GLU  94          1HG       GLU  94  16.245   7.758   8.201
  758   2HG   GLU  94          2HG       GLU  94  14.789   7.338   9.086
  759    H    ARG  95           H        ARG  95  12.829   7.748   4.490
  760    HA   ARG  95           HA       ARG  95  11.719  10.338   4.110
  761   1HB   ARG  95          1HB       ARG  95  13.073   9.234   2.421
  762   2HB   ARG  95          2HB       ARG  95  11.921   7.915   2.326
  763   1HG   ARG  95          1HG       ARG  95  10.236   9.609   1.533
  764   2HG   ARG  95          2HG       ARG  95  11.584  10.741   1.380
  765   1HD   ARG  95          1HD       ARG  95  12.729   9.099  -0.069
  766   2HD   ARG  95          2HD       ARG  95  11.300   8.073   0.034
  767    HE   ARG  95           HE       ARG  95  10.497  10.594  -0.790
  768   1HH1  ARG  95          1HH1      ARG  95  12.333   7.828  -2.091
  769   2HH1  ARG  95          2HH1      ARG  95  11.988   8.230  -3.706
  770   1HH2  ARG  95          1HH2      ARG  95  10.028  11.081  -3.018
  771   2HH2  ARG  95          2HH2      ARG  95  10.662  10.093  -4.254
  772    H    ILE  96           H        ILE  96  10.465   7.066   3.942
  773    HA   ILE  96           HA       ILE  96   7.809   7.826   3.276
  774    HB   ILE  96           HB       ILE  96   9.093   5.205   4.043
  775   1HG1  ILE  96          1HG1      ILE  96   9.860   6.043   1.921
  776   2HG1  ILE  96          2HG1      ILE  96   8.844   4.636   1.651
  777   1HG2  ILE  96          1HG2      ILE  96   6.287   5.576   2.955
  778   2HG2  ILE  96          2HG2      ILE  96   6.686   5.064   4.590
  779   3HG2  ILE  96          3HG2      ILE  96   7.085   4.025   3.220
  780   1HD1  ILE  96          1HD1      ILE  96   8.049   7.522   1.244
  781   2HD1  ILE  96          2HD1      ILE  96   6.989   6.131   1.021
  782   3HD1  ILE  96          3HD1      ILE  96   8.400   6.335  -0.011
  783    H    LEU  97           H        LEU  97   9.495   7.793   6.165
  784    HA   LEU  97           HA       LEU  97   7.244   7.337   7.898
  785   1HB   LEU  97          1HB       LEU  97   9.570   6.865   8.605
  786   2HB   LEU  97          2HB       LEU  97   9.966   8.557   8.431
  787    HG   LEU  97           HG       LEU  97   8.403   9.084  10.285
  788   1HD1  LEU  97          1HD1      LEU  97   7.562   7.264  11.687
  789   2HD1  LEU  97          2HD1      LEU  97   8.173   6.087  10.523
  790   3HD1  LEU  97          3HD1      LEU  97   6.886   7.201  10.061
  791   1HD2  LEU  97          1HD2      LEU  97  10.785   8.764  10.709
  792   2HD2  LEU  97          2HD2      LEU  97  10.519   7.034  10.936
  793   3HD2  LEU  97          3HD2      LEU  97   9.815   8.193  12.066
  794    H    GLU  98           H        GLU  98   8.876   9.953   6.357
  795    HA   GLU  98           HA       GLU  98   7.488  12.111   7.647
  796   1HB   GLU  98          1HB       GLU  98   9.762  12.255   6.573
  797   2HB   GLU  98          2HB       GLU  98   8.983  11.959   5.035
  798   1HG   GLU  98          1HG       GLU  98   9.533  14.322   5.367
  799   2HG   GLU  98          2HG       GLU  98   7.808  14.041   5.145
  800    H    VAL  99           H        VAL  99   7.210  10.130   4.860
  801    HA   VAL  99           HA       VAL  99   4.828  11.506   3.869
  802    HB   VAL  99           HB       VAL  99   6.570   9.348   2.616
  803   1HG1  VAL  99          1HG1      VAL  99   5.500  10.001   0.457
  804   2HG1  VAL  99          2HG1      VAL  99   4.477  11.146   1.322
  805   3HG1  VAL  99          3HG1      VAL  99   4.299   9.417   1.611
  806   1HG2  VAL  99          1HG2      VAL  99   7.835  11.376   2.929
  807   2HG2  VAL  99          2HG2      VAL  99   6.581  12.322   2.125
  808   3HG2  VAL  99          3HG2      VAL  99   7.509  11.129   1.213
  809    H    ALA 100           H        ALA 100   4.922   9.829   6.291
  810    HA   ALA 100           HA       ALA 100   3.769   7.286   5.808
  811   1HB   ALA 100          1HB       ALA 100   3.603   8.948   8.322
  812   2HB   ALA 100          2HB       ALA 100   4.914   7.842   7.911
  813   3HB   ALA 100          3HB       ALA 100   3.286   7.218   8.191
  814    H    GLU 101           H        GLU 101   2.483  10.400   5.808
  815    HA   GLU 101           HA       GLU 101  -0.134   9.338   5.249
  816   1HB   GLU 101          1HB       GLU 101   0.261  11.498   7.352
  817   2HB   GLU 101          2HB       GLU 101  -1.267  11.150   6.578
  818   1HG   GLU 101          1HG       GLU 101  -1.246   8.923   7.534
  819   2HG   GLU 101          2HG       GLU 101   0.323   9.250   8.269
  820    HA   PRO 102           HA       PRO 102  -0.065  13.425   3.165
  821   1HB   PRO 102          1HB       PRO 102   1.585  15.454   3.852
  822   2HB   PRO 102          2HB       PRO 102   0.089  15.052   4.709
  823   1HG   PRO 102          1HG       PRO 102   2.845  14.763   5.621
  824   2HG   PRO 102          2HG       PRO 102   1.345  14.637   6.551
  825   1HD   PRO 102          1HD       PRO 102   2.996  12.530   5.369
  826   2HD   PRO 102          2HD       PRO 102   1.741  12.397   6.610
  Start of MODEL   14
    1    H    HIS   1           H        HIS   1   4.227   8.627 -11.848
    2    HA   HIS   1           HA       HIS   1   2.055   7.789 -11.903
    3   1HB   HIS   1          1HB       HIS   1   3.278   5.334 -10.620
    4   2HB   HIS   1          2HB       HIS   1   1.556   5.661 -10.692
    5    HD1  HIS   1           HD1      HIS   1   4.466   4.738 -12.978
    6    HD2  HIS   1           HD2      HIS   1   0.309   4.957 -12.973
    7    HE1  HIS   1           HE1      HIS   1   3.702   3.640 -15.088
    8    H    MET   2           H        MET   2   0.671   8.104 -10.069
    9    HA   MET   2           HA       MET   2   1.536   7.978  -7.420
   10   1HB   MET   2          1HB       MET   2   1.456  10.370  -6.864
   11   2HB   MET   2          2HB       MET   2   2.863   9.929  -7.829
   12   1HG   MET   2          1HG       MET   2   1.811  10.862  -9.808
   13   2HG   MET   2          2HG       MET   2   0.357  11.229  -8.881
   14   1HE   MET   2          1HE       MET   2   4.193  12.054  -9.341
   15   2HE   MET   2          2HE       MET   2   4.092  11.708  -7.615
   16   3HE   MET   2          3HE       MET   2   4.418  13.347  -8.168
   17    H    THR   3           H        THR   3  -0.163   7.821  -6.187
   18    HA   THR   3           HA       THR   3  -2.652   8.831  -7.284
   19    HB   THR   3           HB       THR   3  -2.647   6.455  -7.519
   20    HG1  THR   3           HG1      THR   3  -4.455   6.007  -5.859
   21   1HG2  THR   3          1HG2      THR   3  -2.571   4.913  -5.590
   22   2HG2  THR   3          2HG2      THR   3  -2.223   6.285  -4.539
   23   3HG2  THR   3          3HG2      THR   3  -1.070   5.819  -5.790
   24    H    PHE   4           H        PHE   4  -3.725  10.123  -6.123
   25    HA   PHE   4           HA       PHE   4  -3.326  10.191  -3.235
   26   1HB   PHE   4          1HB       PHE   4  -3.376  12.618  -5.055
   27   2HB   PHE   4          2HB       PHE   4  -3.373  12.671  -3.292
   28    HD1  PHE   4           HD1      PHE   4  -1.422  11.675  -2.064
   29    HD2  PHE   4           HD2      PHE   4  -1.399  12.403  -6.245
   30    HE1  PHE   4           HE1      PHE   4   1.030  11.498  -2.083
   31    HE2  PHE   4           HE2      PHE   4   1.041  12.234  -6.264
   32    HZ   PHE   4           HZ       PHE   4   2.250  11.751  -4.189
   33    H    CYS   5           H        CYS   5  -5.379   9.202  -5.157
   34    HA   CYS   5           HA       CYS   5  -7.645  10.800  -4.266
   35   1HB   CYS   5          1HB       CYS   5  -8.864   9.506  -6.070
   36   2HB   CYS   5          2HB       CYS   5  -7.628  10.622  -6.635
   37    HG   CYS   5           HG       CYS   5  -6.852   7.363  -6.167
   38    H    LEU   6           H        LEU   6  -7.473   9.997  -2.121
   39    HA   LEU   6           HA       LEU   6  -7.559   7.286  -1.431
   40   1HB   LEU   6          1HB       LEU   6  -6.584   9.012  -0.160
   41   2HB   LEU   6          2HB       LEU   6  -8.085   9.889  -0.000
   42    HG   LEU   6           HG       LEU   6  -7.401   7.238   1.301
   43   1HD1  LEU   6          1HD1      LEU   6  -7.190   8.623   3.295
   44   2HD1  LEU   6          2HD1      LEU   6  -7.406  10.058   2.293
   45   3HD1  LEU   6          3HD1      LEU   6  -6.003   9.017   2.057
   46   1HD2  LEU   6          1HD2      LEU   6  -9.857   7.600   1.076
   47   2HD2  LEU   6          2HD2      LEU   6  -9.677   9.164   1.870
   48   3HD2  LEU   6          3HD2      LEU   6  -9.321   7.679   2.754
   49    H    GLU   7           H        GLU   7  -9.970   9.910  -1.357
   50    HA   GLU   7           HA       GLU   7 -11.922   8.047  -0.500
   51   1HB   GLU   7          1HB       GLU   7 -11.938  10.216   0.463
   52   2HB   GLU   7          2HB       GLU   7 -12.070  11.021  -1.069
   53   1HG   GLU   7          1HG       GLU   7 -14.323   9.888  -1.280
   54   2HG   GLU   7          2HG       GLU   7 -14.131   9.405   0.401
   55    H    THR   8           H        THR   8 -10.635   8.381  -3.314
   56    HA   THR   8           HA       THR   8 -12.976   8.140  -4.948
   57    HB   THR   8           HB       THR   8 -10.074   7.687  -5.682
   58    HG1  THR   8           HG1      THR   8 -11.281  10.165  -6.141
   59   1HG2  THR   8          1HG2      THR   8 -12.459   8.672  -7.288
   60   2HG2  THR   8          2HG2      THR   8 -11.774   7.052  -7.389
   61   3HG2  THR   8          3HG2      THR   8 -10.823   8.445  -7.907
   62    H    TYR   9           H        TYR   9 -11.320   6.241  -2.790
   63    HA   TYR   9           HA       TYR   9 -11.241   3.708  -4.029
   64   1HB   TYR   9          1HB       TYR   9 -11.174   2.748  -1.719
   65   2HB   TYR   9          2HB       TYR   9 -10.000   4.015  -1.961
   66    HD1  TYR   9           HD1      TYR   9  -9.879   3.864   0.606
   67    HD2  TYR   9           HD2      TYR   9 -13.341   5.327  -1.378
   68    HE1  TYR   9           HE1      TYR   9 -10.611   4.979   2.677
   69    HE2  TYR   9           HE2      TYR   9 -14.072   6.430   0.677
   70    HH   TYR   9           HH       TYR   9 -13.760   6.245   3.026
   71    H    LEU  10           H        LEU  10 -13.776   5.619  -3.044
   72    HA   LEU  10           HA       LEU  10 -15.604   3.610  -2.399
   73   1HB   LEU  10          1HB       LEU  10 -15.562   6.079  -1.703
   74   2HB   LEU  10          2HB       LEU  10 -16.273   6.416  -3.261
   75    HG   LEU  10           HG       LEU  10 -17.543   4.646  -1.186
   76   1HD1  LEU  10          1HD1      LEU  10 -18.985   6.575  -0.694
   77   2HD1  LEU  10          2HD1      LEU  10 -18.015   7.565  -1.784
   78   3HD1  LEU  10          3HD1      LEU  10 -17.295   6.901  -0.314
   79   1HD2  LEU  10          1HD2      LEU  10 -18.704   5.988  -3.639
   80   2HD2  LEU  10          2HD2      LEU  10 -19.617   5.046  -2.460
   81   3HD2  LEU  10          3HD2      LEU  10 -18.387   4.263  -3.453
   82    H    GLN  11           H        GLN  11 -14.652   5.468  -5.202
   83    HA   GLN  11           HA       GLN  11 -16.713   4.730  -7.029
   84   1HB   GLN  11          1HB       GLN  11 -14.978   6.666  -7.190
   85   2HB   GLN  11          2HB       GLN  11 -13.869   5.432  -7.700
   86   1HG   GLN  11          1HG       GLN  11 -14.804   6.606  -9.615
   87   2HG   GLN  11          2HG       GLN  11 -15.212   4.890  -9.623
   88   1HE2  GLN  11          1HE2      GLN  11 -16.412   8.105  -9.190
   89   2HE2  GLN  11          2HE2      GLN  11 -18.081   7.706  -9.290
   90    H    GLN  12           H        GLN  12 -13.730   3.473  -5.946
   91    HA   GLN  12           HA       GLN  12 -13.492   1.405  -7.910
   92   1HB   GLN  12          1HB       GLN  12 -12.012   1.770  -5.297
   93   2HB   GLN  12          2HB       GLN  12 -11.580   0.626  -6.558
   94   1HG   GLN  12          1HG       GLN  12 -11.230   2.577  -8.099
   95   2HG   GLN  12          2HG       GLN  12 -11.520   3.626  -6.728
   96   1HE2  GLN  12          1HE2      GLN  12  -9.933   3.886  -5.169
   97   2HE2  GLN  12          2HE2      GLN  12  -8.348   3.239  -5.322
   98    H    SER  13           H        SER  13 -15.243   1.821  -5.090
   99    HA   SER  13           HA       SER  13 -16.686   0.637  -4.021
  100   1HB   SER  13          1HB       SER  13 -17.439  -0.183  -6.232
  101   2HB   SER  13          2HB       SER  13 -16.281  -1.506  -6.146
  102    HG   SER  13           HG       SER  13 -17.479  -1.960  -4.075
  103    H    GLY  14           H        GLY  14 -13.930   0.559  -3.362
  104   1HA   GLY  14          1HA       GLY  14 -13.937  -1.692  -1.604
  105   2HA   GLY  14          2HA       GLY  14 -12.701  -1.776  -2.856
  106    H    GLU  15           H        GLU  15 -13.871  -0.016  -0.095
  107    HA   GLU  15           HA       GLU  15 -11.914   1.920  -0.031
  108   1HB   GLU  15          1HB       GLU  15 -13.469   0.618   2.202
  109   2HB   GLU  15          2HB       GLU  15 -12.414   2.005   2.453
  110   1HG   GLU  15          1HG       GLU  15 -13.736   3.357   0.997
  111   2HG   GLU  15          2HG       GLU  15 -14.721   1.977   0.525
  112    H    TYR  16           H        TYR  16  -9.822   1.931   0.648
  113    HA   TYR  16           HA       TYR  16  -8.706  -0.490   1.854
  114   1HB   TYR  16          1HB       TYR  16  -8.526  -0.559  -0.648
  115   2HB   TYR  16          2HB       TYR  16  -7.609   0.925  -0.582
  116    HD1  TYR  16           HD1      TYR  16  -5.320   0.705  -0.811
  117    HD2  TYR  16           HD2      TYR  16  -7.497  -2.493   0.959
  118    HE1  TYR  16           HE1      TYR  16  -3.256  -0.620  -0.684
  119    HE2  TYR  16           HE2      TYR  16  -5.438  -3.824   1.095
  120    HH   TYR  16           HH       TYR  16  -3.290  -3.962   0.042
  121    H    GLU  17           H        GLU  17  -9.326   2.513   2.446
  122    HA   GLU  17           HA       GLU  17  -6.787   3.188   3.653
  123   1HB   GLU  17          1HB       GLU  17  -8.252   5.043   1.759
  124   2HB   GLU  17          2HB       GLU  17  -6.853   5.463   2.724
  125   1HG   GLU  17          1HG       GLU  17  -5.479   3.930   1.434
  126   2HG   GLU  17          2HG       GLU  17  -6.891   3.430   0.502
  127    H    ILE  18           H        ILE  18  -7.255   5.380   4.861
  128    HA   ILE  18           HA       ILE  18  -9.970   5.267   5.720
  129    HB   ILE  18           HB       ILE  18  -8.484   4.465   7.594
  130   1HG1  ILE  18          1HG1      ILE  18  -9.361   5.960   9.414
  131   2HG1  ILE  18          2HG1      ILE  18 -10.003   7.007   8.154
  132   1HG2  ILE  18          1HG2      ILE  18  -7.345   7.221   7.453
  133   2HG2  ILE  18          2HG2      ILE  18  -6.502   5.641   7.397
  134   3HG2  ILE  18          3HG2      ILE  18  -7.241   6.209   8.882
  135   1HD1  ILE  18          1HD1      ILE  18 -11.728   5.548   9.023
  136   2HD1  ILE  18          2HD1      ILE  18 -10.751   4.132   8.642
  137   3HD1  ILE  18          3HD1      ILE  18 -11.385   5.135   7.342
  138    H    HIS  19           H        HIS  19 -10.777   7.559   6.372
  139    HA   HIS  19           HA       HIS  19  -9.901   9.404   4.378
  140   1HB   HIS  19          1HB       HIS  19 -12.292   9.280   5.034
  141   2HB   HIS  19          2HB       HIS  19 -11.884   9.933   6.616
  142    HD1  HIS  19           HD1      HIS  19 -12.632  12.333   6.697
  143    HD2  HIS  19           HD2      HIS  19 -11.109  11.294   2.974
  144    HE1  HIS  19           HE1      HIS  19 -12.692  14.431   5.306
  145    H    MET  20           H        MET  20  -7.916   9.379   5.054
  146    HA   MET  20           HA       MET  20  -7.043  11.629   6.780
  147   1HB   MET  20          1HB       MET  20  -6.205   8.809   6.564
  148   2HB   MET  20          2HB       MET  20  -4.887   9.931   6.844
  149   1HG   MET  20          1HG       MET  20  -7.360   9.690   8.558
  150   2HG   MET  20          2HG       MET  20  -5.867   8.806   8.865
  151   1HE   MET  20          1HE       MET  20  -3.562  10.812   8.245
  152   2HE   MET  20          2HE       MET  20  -3.650   9.856   9.724
  153   3HE   MET  20          3HE       MET  20  -3.344  11.589   9.813
  154    H    LYS  21           H        LYS  21  -4.188  11.017   5.682
  155    HA   LYS  21           HA       LYS  21  -4.700  11.840   2.917
  156   1HB   LYS  21          1HB       LYS  21  -2.517  12.830   4.761
  157   2HB   LYS  21          2HB       LYS  21  -2.563  13.154   3.032
  158   1HG   LYS  21          1HG       LYS  21  -4.778  14.251   3.366
  159   2HG   LYS  21          2HG       LYS  21  -4.554  14.056   5.102
  160   1HD   LYS  21          1HD       LYS  21  -2.634  15.519   3.305
  161   2HD   LYS  21          2HD       LYS  21  -3.938  16.302   4.196
  162   1HE   LYS  21          1HE       LYS  21  -2.930  15.601   6.297
  163   2HE   LYS  21          2HE       LYS  21  -1.687  14.717   5.408
  164   1HZ   LYS  21          1HZ       LYS  21  -0.927  16.923   6.183
  165   2HZ   LYS  21          2HZ       LYS  21  -2.072  17.656   5.171
  166   3HZ   LYS  21          3HZ       LYS  21  -0.841  16.695   4.527
  167    H    ARG  22           H        ARG  22  -3.766  10.714   1.345
  168    HA   ARG  22           HA       ARG  22  -2.080   8.475   2.139
  169   1HB   ARG  22          1HB       ARG  22  -2.901   7.401   0.242
  170   2HB   ARG  22          2HB       ARG  22  -4.272   8.095   1.074
  171   1HG   ARG  22          1HG       ARG  22  -2.981   9.117  -1.473
  172   2HG   ARG  22          2HG       ARG  22  -4.507   8.261  -1.363
  173   1HD   ARG  22          1HD       ARG  22  -5.148  10.526  -1.644
  174   2HD   ARG  22          2HD       ARG  22  -5.268  10.280   0.094
  175    HE   ARG  22           HE       ARG  22  -2.717  11.248  -0.423
  176   1HH1  ARG  22          1HH1      ARG  22  -6.058  12.474  -0.815
  177   2HH1  ARG  22          2HH1      ARG  22  -5.607  14.061  -0.368
  178   1HH2  ARG  22          1HH2      ARG  22  -2.186  13.472   0.166
  179   2HH2  ARG  22          2HH2      ARG  22  -3.428  14.622   0.167
  180    H    ALA  23           H        ALA  23  -0.669   7.711   0.248
  181    HA   ALA  23           HA       ALA  23   0.225   9.644  -1.600
  182   1HB   ALA  23          1HB       ALA  23   2.540   9.812  -0.862
  183   2HB   ALA  23          2HB       ALA  23   2.174   8.789   0.526
  184   3HB   ALA  23          3HB       ALA  23   1.431  10.382   0.390
  185    H    GLY  24           H        GLY  24  -0.481   7.723  -2.885
  186   1HA   GLY  24          1HA       GLY  24   1.192   5.380  -2.786
  187   2HA   GLY  24          2HA       GLY  24  -0.226   5.651  -3.773
  188    H    PHE  25           H        PHE  25   3.162   6.642  -3.455
  189    HA   PHE  25           HA       PHE  25   3.168   7.789  -6.109
  190   1HB   PHE  25          1HB       PHE  25   5.371   7.230  -4.125
  191   2HB   PHE  25          2HB       PHE  25   5.708   7.790  -5.753
  192    HD1  PHE  25           HD1      PHE  25   5.338  10.047  -6.380
  193    HD2  PHE  25           HD2      PHE  25   4.243   8.694  -2.503
  194    HE1  PHE  25           HE1      PHE  25   5.113  12.377  -5.641
  195    HE2  PHE  25           HE2      PHE  25   4.011  11.035  -1.760
  196    HZ   PHE  25           HZ       PHE  25   4.450  12.872  -3.325
  197    H    ARG  26           H        ARG  26   5.074   5.208  -4.720
  198    HA   ARG  26           HA       ARG  26   5.727   4.103  -7.294
  199   1HB   ARG  26          1HB       ARG  26   6.135   3.159  -4.493
  200   2HB   ARG  26          2HB       ARG  26   6.669   2.262  -5.891
  201   1HG   ARG  26          1HG       ARG  26   7.580   5.052  -5.276
  202   2HG   ARG  26          2HG       ARG  26   8.403   3.602  -4.698
  203   1HD   ARG  26          1HD       ARG  26   8.448   2.883  -7.134
  204   2HD   ARG  26          2HD       ARG  26   8.046   4.563  -7.515
  205    HE   ARG  26           HE       ARG  26  10.198   4.439  -5.708
  206   1HH1  ARG  26          1HH1      ARG  26   9.552   4.168  -9.201
  207   2HH1  ARG  26          2HH1      ARG  26  11.200   4.217  -9.616
  208   1HH2  ARG  26          1HH2      ARG  26  12.424   4.517  -6.343
  209   2HH2  ARG  26          2HH2      ARG  26  12.853   4.461  -7.986
  210    H    GLU  27           H        GLU  27   3.644   3.169  -4.595
  211    HA   GLU  27           HA       GLU  27   2.892   0.767  -5.921
  212   1HB   GLU  27          1HB       GLU  27   2.306   1.986  -3.375
  213   2HB   GLU  27          2HB       GLU  27   1.103   0.820  -3.962
  214   1HG   GLU  27          1HG       GLU  27   2.876  -0.816  -4.026
  215   2HG   GLU  27          2HG       GLU  27   4.027   0.414  -3.487
  216    H    CYS  28           H        CYS  28   1.991   3.852  -6.530
  217    HA   CYS  28           HA       CYS  28  -0.722   3.879  -6.916
  218   1HB   CYS  28          1HB       CYS  28   0.731   5.736  -7.576
  219   2HB   CYS  28          2HB       CYS  28   1.414   4.759  -8.867
  220    HG   CYS  28           HG       CYS  28  -1.934   5.213  -9.032
  221    H    ALA  29           H        ALA  29   1.729   2.328  -8.961
  222    HA   ALA  29           HA       ALA  29  -0.214   1.211 -10.755
  223   1HB   ALA  29          1HB       ALA  29   2.718   0.591 -10.439
  224   2HB   ALA  29          2HB       ALA  29   2.039   1.800 -11.526
  225   3HB   ALA  29          3HB       ALA  29   1.699   0.088 -11.787
  226    H    ALA  30           H        ALA  30   1.559   0.124  -7.939
  227    HA   ALA  30           HA       ALA  30   1.021  -2.592  -8.011
  228   1HB   ALA  30          1HB       ALA  30   1.458  -2.585  -5.641
  229   2HB   ALA  30          2HB       ALA  30   1.270  -0.833  -5.598
  230   3HB   ALA  30          3HB       ALA  30   2.614  -1.554  -6.485
  231    H    MET  31           H        MET  31  -0.776   0.047  -6.453
  232    HA   MET  31           HA       MET  31  -2.696  -1.660  -5.321
  233   1HB   MET  31          1HB       MET  31  -4.244   0.270  -5.035
  234   2HB   MET  31          2HB       MET  31  -2.627   0.588  -4.438
  235   1HG   MET  31          1HG       MET  31  -2.168   2.097  -6.127
  236   2HG   MET  31          2HG       MET  31  -3.415   1.441  -7.183
  237   1HE   MET  31          1HE       MET  31  -4.038   2.189  -3.355
  238   2HE   MET  31          2HE       MET  31  -4.499   3.890  -3.391
  239   3HE   MET  31          3HE       MET  31  -2.843   3.419  -3.768
  240    H    ILE  32           H        ILE  32  -2.504  -0.233  -8.443
  241    HA   ILE  32           HA       ILE  32  -5.080  -0.842  -9.346
  242    HB   ILE  32           HB       ILE  32  -2.459  -0.549 -10.853
  243   1HG1  ILE  32          1HG1      ILE  32  -4.755   1.380 -10.455
  244   2HG1  ILE  32          2HG1      ILE  32  -3.213   1.438  -9.613
  245   1HG2  ILE  32          1HG2      ILE  32  -3.816  -0.209 -12.875
  246   2HG2  ILE  32          2HG2      ILE  32  -5.266  -0.631 -11.961
  247   3HG2  ILE  32          3HG2      ILE  32  -4.000  -1.834 -12.217
  248   1HD1  ILE  32          1HD1      ILE  32  -3.636   1.791 -12.565
  249   2HD1  ILE  32          2HD1      ILE  32  -2.079   1.856 -11.740
  250   3HD1  ILE  32          3HD1      ILE  32  -3.311   3.074 -11.402
  251    H    GLU  33           H        GLU  33  -2.157  -2.754  -9.069
  252    HA   GLU  33           HA       GLU  33  -3.454  -4.970 -10.422
  253   1HB   GLU  33          1HB       GLU  33  -0.787  -4.951  -8.978
  254   2HB   GLU  33          2HB       GLU  33  -1.372  -6.153 -10.120
  255   1HG   GLU  33          1HG       GLU  33  -1.271  -4.498 -11.914
  256   2HG   GLU  33          2HG       GLU  33  -0.677  -3.299 -10.767
  257    H    LYS  34           H        LYS  34  -2.751  -3.927  -7.220
  258    HA   LYS  34           HA       LYS  34  -3.283  -6.263  -5.797
  259   1HB   LYS  34          1HB       LYS  34  -3.424  -3.355  -5.106
  260   2HB   LYS  34          2HB       LYS  34  -3.993  -4.543  -3.948
  261   1HG   LYS  34          1HG       LYS  34  -1.922  -5.202  -3.381
  262   2HG   LYS  34          2HG       LYS  34  -1.351  -5.184  -5.040
  263   1HD   LYS  34          1HD       LYS  34  -0.096  -3.668  -3.623
  264   2HD   LYS  34          2HD       LYS  34  -0.927  -2.803  -4.904
  265   1HE   LYS  34          1HE       LYS  34  -2.671  -2.096  -3.217
  266   2HE   LYS  34          2HE       LYS  34  -1.767  -2.931  -1.965
  267   1HZ   LYS  34          1HZ       LYS  34   0.121  -1.313  -2.327
  268   2HZ   LYS  34          2HZ       LYS  34  -1.256  -0.503  -1.929
  269   3HZ   LYS  34          3HZ       LYS  34  -0.778  -0.515  -3.484
  270    H    LYS  35           H        LYS  35  -5.435  -4.315  -7.581
  271    HA   LYS  35           HA       LYS  35  -7.760  -5.094  -6.064
  272   1HB   LYS  35          1HB       LYS  35  -9.077  -4.303  -7.947
  273   2HB   LYS  35          2HB       LYS  35  -7.965  -3.039  -7.381
  274   1HG   LYS  35          1HG       LYS  35  -6.575  -3.584  -9.324
  275   2HG   LYS  35          2HG       LYS  35  -7.728  -4.832  -9.788
  276   1HD   LYS  35          1HD       LYS  35  -8.414  -1.906  -9.519
  277   2HD   LYS  35          2HD       LYS  35  -7.980  -2.681 -11.042
  278   1HE   LYS  35          1HE       LYS  35  -9.875  -4.206 -10.792
  279   2HE   LYS  35          2HE       LYS  35 -10.320  -3.415  -9.282
  280   1HZ   LYS  35          1HZ       LYS  35 -10.654  -1.367 -10.527
  281   2HZ   LYS  35          2HZ       LYS  35 -11.643  -2.591 -11.107
  282   3HZ   LYS  35          3HZ       LYS  35 -10.271  -2.146 -11.966
  283    H    ALA  36           H        ALA  36  -5.812  -6.683  -8.332
  284    HA   ALA  36           HA       ALA  36  -7.830  -8.247  -9.579
  285   1HB   ALA  36          1HB       ALA  36  -5.630  -7.845 -10.608
  286   2HB   ALA  36          2HB       ALA  36  -6.045  -9.551 -10.512
  287   3HB   ALA  36          3HB       ALA  36  -4.887  -8.861  -9.370
  288    H    ARG  37           H        ARG  37  -5.742  -8.727  -6.803
  289    HA   ARG  37           HA       ARG  37  -7.454 -10.342  -5.346
  290   1HB   ARG  37          1HB       ARG  37  -6.944 -12.098  -7.074
  291   2HB   ARG  37          2HB       ARG  37  -5.239 -11.934  -6.686
  292   1HG   ARG  37          1HG       ARG  37  -5.790 -12.638  -4.341
  293   2HG   ARG  37          2HG       ARG  37  -7.424 -12.993  -4.901
  294   1HD   ARG  37          1HD       ARG  37  -4.883 -14.218  -5.959
  295   2HD   ARG  37          2HD       ARG  37  -6.017 -15.001  -4.862
  296    HE   ARG  37           HE       ARG  37  -7.597 -14.415  -6.917
  297   1HH1  ARG  37          1HH1      ARG  37  -4.394 -15.942  -6.922
  298   2HH1  ARG  37          2HH1      ARG  37  -4.698 -16.847  -8.332
  299   1HH2  ARG  37          1HH2      ARG  37  -7.983 -15.665  -8.797
  300   2HH2  ARG  37          2HH2      ARG  37  -6.763 -16.696  -9.420
  301    H    ARG  38           H        ARG  38  -4.062 -10.734  -6.092
  302    HA   ARG  38           HA       ARG  38  -3.187  -9.279  -3.799
  303   1HB   ARG  38          1HB       ARG  38  -3.704 -11.585  -2.940
  304   2HB   ARG  38          2HB       ARG  38  -2.629 -12.247  -4.156
  305   1HG   ARG  38          1HG       ARG  38  -0.772 -10.980  -3.123
  306   2HG   ARG  38          2HG       ARG  38  -1.840 -10.532  -1.797
  307   1HD   ARG  38          1HD       ARG  38  -0.599 -12.447  -1.097
  308   2HD   ARG  38          2HD       ARG  38  -2.236 -13.007  -1.455
  309    HE   ARG  38           HE       ARG  38  -0.867 -13.300  -3.789
  310   1HH1  ARG  38          1HH1      ARG  38  -0.460 -14.656  -0.522
  311   2HH1  ARG  38          2HH1      ARG  38   0.375 -16.023  -1.086
  312   1HH2  ARG  38          1HH2      ARG  38   0.270 -15.131  -4.501
  313   2HH2  ARG  38          2HH2      ARG  38   0.839 -16.300  -3.401
  314    H    VAL  39           H        VAL  39  -1.404  -8.173  -4.903
  315    HA   VAL  39           HA       VAL  39   0.056  -9.840  -6.808
  316    HB   VAL  39           HB       VAL  39  -0.927  -7.027  -7.381
  317   1HG1  VAL  39          1HG1      VAL  39   1.348  -7.340  -8.294
  318   2HG1  VAL  39          2HG1      VAL  39   0.177  -7.293  -9.612
  319   3HG1  VAL  39          3HG1      VAL  39   0.839  -8.833  -9.073
  320   1HG2  VAL  39          1HG2      VAL  39  -1.523  -9.656  -8.742
  321   2HG2  VAL  39          2HG2      VAL  39  -2.110  -8.078  -9.266
  322   3HG2  VAL  39          3HG2      VAL  39  -2.622  -8.740  -7.714
  323    H    VAL  40           H        VAL  40   2.205  -9.407  -7.079
  324    HA   VAL  40           HA       VAL  40   3.417  -7.784  -5.016
  325    HB   VAL  40           HB       VAL  40   4.273 -10.109  -5.182
  326   1HG1  VAL  40          1HG1      VAL  40   3.825 -10.552  -7.535
  327   2HG1  VAL  40          2HG1      VAL  40   5.508 -10.895  -7.142
  328   3HG1  VAL  40          3HG1      VAL  40   5.088  -9.414  -7.999
  329   1HG2  VAL  40          1HG2      VAL  40   6.314  -8.104  -6.148
  330   2HG2  VAL  40          2HG2      VAL  40   6.680  -9.657  -5.394
  331   3HG2  VAL  40          3HG2      VAL  40   5.860  -8.398  -4.470
  332    H    HIS  41           H        HIS  41   4.727  -6.039  -5.435
  333    HA   HIS  41           HA       HIS  41   5.049  -5.391  -8.188
  334   1HB   HIS  41          1HB       HIS  41   2.932  -4.321  -7.329
  335   2HB   HIS  41          2HB       HIS  41   3.908  -3.469  -6.144
  336    HD1  HIS  41           HD1      HIS  41   2.856  -3.354  -9.767
  337    HD2  HIS  41           HD2      HIS  41   5.402  -1.310  -7.162
  338    HE1  HIS  41           HE1      HIS  41   3.658  -1.349 -10.989
  339    H    ILE  42           H        ILE  42   7.036  -4.705  -8.424
  340    HA   ILE  42           HA       ILE  42   8.740  -4.573  -6.108
  341    HB   ILE  42           HB       ILE  42   9.348  -4.469  -9.056
  342   1HG1  ILE  42          1HG1      ILE  42   9.494  -6.814  -7.147
  343   2HG1  ILE  42          2HG1      ILE  42   8.233  -6.553  -8.343
  344   1HG2  ILE  42          1HG2      ILE  42  11.662  -5.115  -8.334
  345   2HG2  ILE  42          2HG2      ILE  42  11.146  -4.992  -6.653
  346   3HG2  ILE  42          3HG2      ILE  42  11.183  -3.551  -7.669
  347   1HD1  ILE  42          1HD1      ILE  42   9.862  -8.200  -9.082
  348   2HD1  ILE  42          2HD1      ILE  42  11.145  -6.997  -8.921
  349   3HD1  ILE  42          3HD1      ILE  42   9.876  -6.778 -10.126
  350    H    LYS  43           H        LYS  43   9.838  -2.783  -5.479
  351    HA   LYS  43           HA       LYS  43  10.302  -0.671  -5.080
  352   1HB   LYS  43          1HB       LYS  43   9.551  -0.103  -7.970
  353   2HB   LYS  43          2HB       LYS  43  10.153   1.123  -6.876
  354   1HG   LYS  43          1HG       LYS  43  12.256  -0.255  -6.680
  355   2HG   LYS  43          2HG       LYS  43  11.624  -1.256  -7.992
  356   1HD   LYS  43          1HD       LYS  43  11.476   0.734  -9.428
  357   2HD   LYS  43          2HD       LYS  43  12.097   1.725  -8.117
  358   1HE   LYS  43          1HE       LYS  43  13.892   1.269  -9.651
  359   2HE   LYS  43          2HE       LYS  43  14.193   0.388  -8.159
  360   1HZ   LYS  43          1HZ       LYS  43  13.039  -0.777 -10.636
  361   2HZ   LYS  43          2HZ       LYS  43  13.430  -1.649  -9.258
  362   3HZ   LYS  43          3HZ       LYS  43  14.637  -0.924 -10.162
  363    HA   PRO  44           HA       PRO  44   5.862   0.321  -4.444
  364   1HB   PRO  44          1HB       PRO  44   5.477  -0.587  -1.991
  365   2HB   PRO  44          2HB       PRO  44   5.541  -1.703  -3.369
  366   1HG   PRO  44          1HG       PRO  44   7.718  -0.989  -1.431
  367   2HG   PRO  44          2HG       PRO  44   7.195  -2.607  -1.922
  368   1HD   PRO  44          1HD       PRO  44   9.309  -1.372  -3.049
  369   2HD   PRO  44          2HD       PRO  44   8.245  -2.490  -3.921
  370    H    GLY  45           H        GLY  45   4.915   1.918  -2.934
  371   1HA   GLY  45          1HA       GLY  45   6.287   3.211  -0.918
  372   2HA   GLY  45          2HA       GLY  45   6.659   4.040  -2.427
  373    H    GLU  46           H        GLU  46   3.864   2.581  -0.886
  374    HA   GLU  46           HA       GLU  46   2.335   4.999  -1.413
  375   1HB   GLU  46          1HB       GLU  46   1.377   3.384  -2.706
  376   2HB   GLU  46          2HB       GLU  46   1.688   2.092  -1.568
  377   1HG   GLU  46          1HG       GLU  46  -0.194   3.150  -0.238
  378   2HG   GLU  46          2HG       GLU  46  -0.541   4.080  -1.713
  379    H    LYS  47           H        LYS  47   2.508   6.049   0.330
  380    HA   LYS  47           HA       LYS  47   2.205   4.695   2.863
  381   1HB   LYS  47          1HB       LYS  47   3.525   7.160   2.005
  382   2HB   LYS  47          2HB       LYS  47   2.572   7.329   3.477
  383   1HG   LYS  47          1HG       LYS  47   4.625   5.174   3.072
  384   2HG   LYS  47          2HG       LYS  47   4.989   6.731   3.818
  385   1HD   LYS  47          1HD       LYS  47   3.503   6.340   5.590
  386   2HD   LYS  47          2HD       LYS  47   2.778   4.936   4.837
  387   1HE   LYS  47          1HE       LYS  47   5.044   3.817   4.999
  388   2HE   LYS  47          2HE       LYS  47   5.600   5.218   5.912
  389   1HZ   LYS  47          1HZ       LYS  47   3.414   3.368   6.729
  390   2HZ   LYS  47          2HZ       LYS  47   3.914   4.707   7.598
  391   3HZ   LYS  47          3HZ       LYS  47   4.956   3.410   7.380
  392    H    ILE  48           H        ILE  48   0.120   4.258   2.876
  393    HA   ILE  48           HA       ILE  48  -1.583   6.522   2.483
  394    HB   ILE  48           HB       ILE  48  -3.509   5.009   2.687
  395   1HG1  ILE  48          1HG1      ILE  48  -1.504   2.743   2.561
  396   2HG1  ILE  48          2HG1      ILE  48  -2.449   3.180   3.985
  397   1HG2  ILE  48          1HG2      ILE  48  -3.146   3.845   0.484
  398   2HG2  ILE  48          2HG2      ILE  48  -1.488   4.470   0.533
  399   3HG2  ILE  48          3HG2      ILE  48  -2.857   5.574   0.510
  400   1HD1  ILE  48          1HD1      ILE  48  -3.599   2.314   1.346
  401   2HD1  ILE  48          2HD1      ILE  48  -4.502   2.645   2.825
  402   3HD1  ILE  48          3HD1      ILE  48  -3.420   1.265   2.742
  403    H    LEU  49           H        LEU  49  -1.828   7.762   4.002
  404    HA   LEU  49           HA       LEU  49  -2.518   8.695   5.897
  405   1HB   LEU  49          1HB       LEU  49  -3.292   6.046   7.084
  406   2HB   LEU  49          2HB       LEU  49  -3.971   7.621   7.400
  407    HG   LEU  49           HG       LEU  49  -5.686   6.840   6.209
  408   1HD1  LEU  49          1HD1      LEU  49  -5.736   7.253   3.857
  409   2HD1  LEU  49          2HD1      LEU  49  -3.993   7.522   3.888
  410   3HD1  LEU  49          3HD1      LEU  49  -5.063   8.581   4.804
  411   1HD2  LEU  49          1HD2      LEU  49  -4.984   4.553   6.130
  412   2HD2  LEU  49          2HD2      LEU  49  -3.860   4.899   4.828
  413   3HD2  LEU  49          3HD2      LEU  49  -5.591   4.992   4.528
  414    H    GLY  50           H        GLY  50  -0.038   6.671   5.715
  415   1HA   GLY  50          1HA       GLY  50   1.941   6.717   6.966
  416   2HA   GLY  50          2HA       GLY  50   1.064   7.498   8.283
  417    H    ALA  51           H        ALA  51  -1.094   5.621   8.180
  418    HA   ALA  51           HA       ALA  51   0.123   3.198   9.252
  419   1HB   ALA  51          1HB       ALA  51  -2.284   4.723  10.294
  420   2HB   ALA  51          2HB       ALA  51  -0.723   4.591  11.096
  421   3HB   ALA  51          3HB       ALA  51  -1.732   3.158  10.892
  422    H    ARG  52           H        ARG  52  -0.569   1.539   8.143
  423    HA   ARG  52           HA       ARG  52  -2.295   1.773   5.929
  424   1HB   ARG  52          1HB       ARG  52  -0.406   0.156   6.164
  425   2HB   ARG  52          2HB       ARG  52  -1.324  -0.702   7.383
  426   1HG   ARG  52          1HG       ARG  52  -1.490  -1.925   5.381
  427   2HG   ARG  52          2HG       ARG  52  -3.058  -1.145   5.622
  428   1HD   ARG  52          1HD       ARG  52  -2.510  -0.896   3.315
  429   2HD   ARG  52          2HD       ARG  52  -2.252   0.662   4.108
  430    HE   ARG  52           HE       ARG  52   0.204  -0.511   4.161
  431   1HH1  ARG  52          1HH1      ARG  52  -2.059   0.313   1.572
  432   2HH1  ARG  52          2HH1      ARG  52  -0.903   0.542   0.373
  433   1HH2  ARG  52          1HH2      ARG  52   1.855  -0.261   2.512
  434   2HH2  ARG  52          2HH2      ARG  52   1.417   0.150   0.912
  435    H    ILE  53           H        ILE  53  -4.532   2.397   6.466
  436    HA   ILE  53           HA       ILE  53  -5.911   0.439   8.114
  437    HB   ILE  53           HB       ILE  53  -6.602   3.404   7.748
  438   1HG1  ILE  53          1HG1      ILE  53  -5.524   1.943  10.186
  439   2HG1  ILE  53          2HG1      ILE  53  -4.605   3.055   9.187
  440   1HG2  ILE  53          1HG2      ILE  53  -8.329   2.993   9.441
  441   2HG2  ILE  53          2HG2      ILE  53  -7.877   1.292   9.498
  442   3HG2  ILE  53          3HG2      ILE  53  -8.572   1.968   8.025
  443   1HD1  ILE  53          1HD1      ILE  53  -5.343   4.073  11.270
  444   2HD1  ILE  53          2HD1      ILE  53  -7.026   3.770  10.833
  445   3HD1  ILE  53          3HD1      ILE  53  -6.045   4.880   9.872
  446    H    ILE  54           H        ILE  54  -7.554  -0.510   7.065
  447    HA   ILE  54           HA       ILE  54  -7.901   0.191   4.253
  448    HB   ILE  54           HB       ILE  54  -8.554  -2.309   5.842
  449   1HG1  ILE  54          1HG1      ILE  54  -6.394  -1.696   3.819
  450   2HG1  ILE  54          2HG1      ILE  54  -6.176  -1.929   5.546
  451   1HG2  ILE  54          1HG2      ILE  54 -10.132  -1.948   3.914
  452   2HG2  ILE  54          2HG2      ILE  54  -9.178  -3.418   3.853
  453   3HG2  ILE  54          3HG2      ILE  54  -8.727  -2.067   2.834
  454   1HD1  ILE  54          1HD1      ILE  54  -6.925  -4.269   5.264
  455   2HD1  ILE  54          2HD1      ILE  54  -5.460  -3.869   4.370
  456   3HD1  ILE  54          3HD1      ILE  54  -7.002  -3.973   3.520
  457    H    GLY  55           H        GLY  55  -9.535  -0.157   7.280
  458   1HA   GLY  55          1HA       GLY  55 -11.469   1.115   7.847
  459   2HA   GLY  55          2HA       GLY  55 -11.927   1.109   6.143
  460    H    ILE  56           H        ILE  56 -11.181  -1.621   5.871
  461    HA   ILE  56           HA       ILE  56 -13.423  -2.926   7.212
  462    HB   ILE  56           HB       ILE  56 -12.181  -3.417   4.510
  463   1HG1  ILE  56          1HG1      ILE  56 -14.646  -3.269   3.727
  464   2HG1  ILE  56          2HG1      ILE  56 -14.985  -2.618   5.316
  465   1HG2  ILE  56          1HG2      ILE  56 -14.184  -5.175   5.935
  466   2HG2  ILE  56          2HG2      ILE  56 -12.533  -5.596   5.477
  467   3HG2  ILE  56          3HG2      ILE  56 -13.759  -5.338   4.233
  468   1HD1  ILE  56          1HD1      ILE  56 -13.139  -1.415   3.265
  469   2HD1  ILE  56          2HD1      ILE  56 -13.476  -0.747   4.863
  470   3HD1  ILE  56          3HD1      ILE  56 -14.766  -0.860   3.664
  471    HA   PRO  57           HA       PRO  57  -9.935  -4.961   9.102
  472   1HB   PRO  57          1HB       PRO  57 -11.361  -6.583  10.753
  473   2HB   PRO  57          2HB       PRO  57 -11.063  -4.877  11.086
  474   1HG   PRO  57          1HG       PRO  57 -13.495  -6.200   9.983
  475   2HG   PRO  57          2HG       PRO  57 -13.371  -4.849  11.124
  476   1HD   PRO  57          1HD       PRO  57 -13.941  -4.556   8.478
  477   2HD   PRO  57          2HD       PRO  57 -13.142  -3.304   9.453
  478    HA   PRO  58           HA       PRO  58 -10.171  -8.858   6.701
  479   1HB   PRO  58          1HB       PRO  58  -7.395  -8.668   6.237
  480   2HB   PRO  58          2HB       PRO  58  -8.662  -8.215   5.101
  481   1HG   PRO  58          1HG       PRO  58  -6.841  -6.456   6.258
  482   2HG   PRO  58          2HG       PRO  58  -8.382  -5.993   5.521
  483   1HD   PRO  58          1HD       PRO  58  -7.706  -6.392   8.404
  484   2HD   PRO  58          2HD       PRO  58  -8.742  -5.169   7.619
  485    H    VAL  59           H        VAL  59  -8.312 -10.687   6.847
  486    HA   VAL  59           HA       VAL  59  -8.106 -11.132   9.626
  487    HB   VAL  59           HB       VAL  59  -7.112 -12.828   7.313
  488   1HG1  VAL  59          1HG1      VAL  59  -6.873 -14.667   8.901
  489   2HG1  VAL  59          2HG1      VAL  59  -7.375 -13.601  10.216
  490   3HG1  VAL  59          3HG1      VAL  59  -5.860 -13.301   9.377
  491   1HG2  VAL  59          1HG2      VAL  59  -9.569 -13.113   9.031
  492   2HG2  VAL  59          2HG2      VAL  59  -9.053 -14.256   7.792
  493   3HG2  VAL  59          3HG2      VAL  59  -9.528 -12.618   7.339
  494    HA   PRO  60           HA       PRO  60  -4.088  -9.218   9.454
  495   1HB   PRO  60          1HB       PRO  60  -3.388  -9.924  12.127
  496   2HB   PRO  60          2HB       PRO  60  -4.057  -8.399  11.553
  497   1HG   PRO  60          1HG       PRO  60  -5.379 -10.223  13.191
  498   2HG   PRO  60          2HG       PRO  60  -6.155  -8.940  12.250
  499   1HD   PRO  60          1HD       PRO  60  -5.909 -11.852  11.662
  500   2HD   PRO  60          2HD       PRO  60  -7.232 -10.721  11.304
  501    H    ILE  61           H        ILE  61  -3.518 -11.218   7.971
  502    HA   ILE  61           HA       ILE  61  -1.522 -12.753   9.381
  503    HB   ILE  61           HB       ILE  61  -2.641 -13.248   6.597
  504   1HG1  ILE  61          1HG1      ILE  61  -4.199 -13.917   8.333
  505   2HG1  ILE  61          2HG1      ILE  61  -3.510 -15.347   7.587
  506   1HG2  ILE  61          1HG2      ILE  61  -1.299 -15.310   6.564
  507   2HG2  ILE  61          2HG2      ILE  61  -0.553 -14.840   8.092
  508   3HG2  ILE  61          3HG2      ILE  61  -0.286 -13.867   6.646
  509   1HD1  ILE  61          1HD1      ILE  61  -2.751 -14.190  10.266
  510   2HD1  ILE  61          2HD1      ILE  61  -1.992 -15.590   9.510
  511   3HD1  ILE  61          3HD1      ILE  61  -3.693 -15.653   9.973
  512    H    GLY  62           H        GLY  62   0.084 -11.417   9.643
  513   1HA   GLY  62          1HA       GLY  62   0.914  -9.830   7.385
  514   2HA   GLY  62          2HA       GLY  62   1.475  -9.647   9.043
  515    H    ILE  63           H        ILE  63   2.076 -11.002   6.005
  516    HA   ILE  63           HA       ILE  63   4.240 -12.630   7.098
  517    HB   ILE  63           HB       ILE  63   3.301 -12.507   4.204
  518   1HG1  ILE  63          1HG1      ILE  63   2.594 -14.564   6.310
  519   2HG1  ILE  63          2HG1      ILE  63   1.507 -13.320   5.705
  520   1HG2  ILE  63          1HG2      ILE  63   5.591 -13.327   4.498
  521   2HG2  ILE  63          2HG2      ILE  63   4.527 -14.633   3.974
  522   3HG2  ILE  63          3HG2      ILE  63   5.021 -14.523   5.663
  523   1HD1  ILE  63          1HD1      ILE  63   1.602 -14.321   3.479
  524   2HD1  ILE  63          2HD1      ILE  63   1.046 -15.482   4.685
  525   3HD1  ILE  63          3HD1      ILE  63   2.703 -15.558   4.084
  526    H    ASP  64           H        ASP  64   5.363 -10.646   7.644
  527    HA   ASP  64           HA       ASP  64   6.436  -9.315   5.285
  528   1HB   ASP  64          1HB       ASP  64   6.879  -7.326   6.663
  529   2HB   ASP  64          2HB       ASP  64   5.175  -7.736   6.677
  530    H    GLU  65           H        GLU  65   8.359  -9.767   4.799
  531    HA   GLU  65           HA       GLU  65  10.092 -11.116   6.702
  532   1HB   GLU  65          1HB       GLU  65  10.354 -10.513   3.759
  533   2HB   GLU  65          2HB       GLU  65  11.568 -11.366   4.697
  534   1HG   GLU  65          1HG       GLU  65   8.726 -12.287   4.361
  535   2HG   GLU  65          2HG       GLU  65  10.082 -12.845   3.381
  536    H    GLU  66           H        GLU  66  10.313  -8.416   4.467
  537    HA   GLU  66           HA       GLU  66  11.732  -6.718   6.223
  538   1HB   GLU  66          1HB       GLU  66  13.589  -8.190   5.550
  539   2HB   GLU  66          2HB       GLU  66  13.111  -8.050   3.860
  540   1HG   GLU  66          1HG       GLU  66  15.175  -6.842   4.510
  541   2HG   GLU  66          2HG       GLU  66  13.960  -5.830   3.748
  542    H    ARG  67           H        ARG  67  12.163  -4.729   4.858
  543    HA   ARG  67           HA       ARG  67   9.771  -4.266   3.229
  544   1HB   ARG  67          1HB       ARG  67  11.102  -2.661   4.944
  545   2HB   ARG  67          2HB       ARG  67  11.876  -2.180   3.444
  546   1HG   ARG  67          1HG       ARG  67   8.912  -2.157   3.917
  547   2HG   ARG  67          2HG       ARG  67   9.976  -0.763   4.119
  548   1HD   ARG  67          1HD       ARG  67  10.502  -0.826   1.733
  549   2HD   ARG  67          2HD       ARG  67   9.516  -2.276   1.538
  550    HE   ARG  67           HE       ARG  67   7.768  -0.561   2.601
  551   1HH1  ARG  67          1HH1      ARG  67   9.960  -0.061  -0.109
  552   2HH1  ARG  67          2HH1      ARG  67   8.897   0.983  -0.960
  553   1HH2  ARG  67          1HH2      ARG  67   6.337   0.857   1.482
  554   2HH2  ARG  67          2HH2      ARG  67   6.775   1.509  -0.010
  555    H    SER  68           H        SER  68  13.072  -4.763   2.913
  556    HA   SER  68           HA       SER  68  13.029  -4.283   0.061
  557   1HB   SER  68          1HB       SER  68  14.950  -3.452   1.461
  558   2HB   SER  68          2HB       SER  68  15.363  -5.128   1.817
  559    HG   SER  68           HG       SER  68  15.069  -4.291  -0.820
  560    H    THR  69           H        THR  69  11.511  -6.307   1.205
  561    HA   THR  69           HA       THR  69  12.224  -8.540  -0.425
  562    HB   THR  69           HB       THR  69  11.707  -8.929   2.551
  563    HG1  THR  69           HG1      THR  69  13.964  -8.300   1.233
  564   1HG2  THR  69          1HG2      THR  69  11.032 -10.825   1.145
  565   2HG2  THR  69          2HG2      THR  69  12.444 -11.255   2.114
  566   3HG2  THR  69          3HG2      THR  69  12.632 -10.850   0.407
  567    H    VAL  70           H        VAL  70  10.231  -9.929  -0.499
  568    HA   VAL  70           HA       VAL  70   7.923  -8.365  -0.715
  569    HB   VAL  70           HB       VAL  70   6.678 -10.490  -1.041
  570   1HG1  VAL  70          1HG1      VAL  70   7.820 -11.142  -3.127
  571   2HG1  VAL  70          2HG1      VAL  70   9.186 -10.125  -2.651
  572   3HG1  VAL  70          3HG1      VAL  70   7.601  -9.406  -2.943
  573   1HG2  VAL  70          1HG2      VAL  70   7.924 -12.607  -1.214
  574   2HG2  VAL  70          2HG2      VAL  70   7.972 -11.959   0.426
  575   3HG2  VAL  70          3HG2      VAL  70   9.373 -11.793  -0.629
  576    H    MET  71           H        MET  71   6.409  -7.833   0.582
  577    HA   MET  71           HA       MET  71   5.998  -9.387   3.008
  578   1HB   MET  71          1HB       MET  71   5.347  -7.333   4.241
  579   2HB   MET  71          2HB       MET  71   7.024  -7.296   3.737
  580   1HG   MET  71          1HG       MET  71   6.553  -5.698   2.037
  581   2HG   MET  71          2HG       MET  71   4.817  -5.906   2.243
  582   1HE   MET  71          1HE       MET  71   8.113  -4.735   4.039
  583   2HE   MET  71          2HE       MET  71   7.346  -5.727   5.281
  584   3HE   MET  71          3HE       MET  71   7.487  -3.982   5.505
  585    H    ILE  72           H        ILE  72   4.083 -10.156   3.215
  586    HA   ILE  72           HA       ILE  72   1.918  -9.115   1.507
  587    HB   ILE  72           HB       ILE  72   2.068 -11.898   2.702
  588   1HG1  ILE  72          1HG1      ILE  72   2.880 -11.080  -0.099
  589   2HG1  ILE  72          2HG1      ILE  72   3.996 -11.564   1.167
  590   1HG2  ILE  72          1HG2      ILE  72   0.422 -10.708   0.473
  591   2HG2  ILE  72          2HG2      ILE  72  -0.152 -11.160   2.079
  592   3HG2  ILE  72          3HG2      ILE  72   0.406 -12.402   0.954
  593   1HD1  ILE  72          1HD1      ILE  72   1.875 -13.305  -0.081
  594   2HD1  ILE  72          2HD1      ILE  72   2.994 -13.799   1.190
  595   3HD1  ILE  72          3HD1      ILE  72   3.607 -13.377  -0.409
  596    HA   PRO  73           HA       PRO  73   0.458  -8.615   5.768
  597   1HB   PRO  73          1HB       PRO  73  -0.516  -6.150   5.576
  598   2HB   PRO  73          2HB       PRO  73   1.222  -6.451   5.694
  599   1HG   PRO  73          1HG       PRO  73  -0.386  -5.642   3.334
  600   2HG   PRO  73          2HG       PRO  73   1.306  -5.290   3.717
  601   1HD   PRO  73          1HD       PRO  73   0.315  -7.329   1.992
  602   2HD   PRO  73          2HD       PRO  73   1.994  -7.075   2.501
  603    H    TYR  74           H        TYR  74  -1.535  -8.962   6.613
  604    HA   TYR  74           HA       TYR  74  -3.653  -9.090   6.954
  605   1HB   TYR  74          1HB       TYR  74  -4.055  -7.722   4.279
  606   2HB   TYR  74          2HB       TYR  74  -5.353  -8.122   5.394
  607    HD1  TYR  74           HD1      TYR  74  -5.049  -7.181   7.824
  608    HD2  TYR  74           HD2      TYR  74  -3.131  -5.628   4.370
  609    HE1  TYR  74           HE1      TYR  74  -4.758  -5.030   8.963
  610    HE2  TYR  74           HE2      TYR  74  -2.831  -3.478   5.495
  611    HH   TYR  74           HH       TYR  74  -3.206  -3.070   8.775
  612    H    THR  75           H        THR  75  -5.624  -9.755   4.914
  613    HA   THR  75           HA       THR  75  -4.432 -12.152   3.982
  614    HB   THR  75           HB       THR  75  -6.798 -11.943   5.695
  615    HG1  THR  75           HG1      THR  75  -4.215 -12.490   6.021
  616   1HG2  THR  75          1HG2      THR  75  -6.993 -14.451   5.586
  617   2HG2  THR  75          2HG2      THR  75  -5.790 -14.439   4.292
  618   3HG2  THR  75          3HG2      THR  75  -7.352 -13.645   4.065
  619    H    LYS  76           H        LYS  76  -7.834 -11.082   4.509
  620    HA   LYS  76           HA       LYS  76  -8.218 -10.705   1.642
  621   1HB   LYS  76          1HB       LYS  76 -10.009 -12.211   3.550
  622   2HB   LYS  76          2HB       LYS  76 -10.565 -11.608   1.999
  623   1HG   LYS  76          1HG       LYS  76  -8.320 -13.593   2.377
  624   2HG   LYS  76          2HG       LYS  76  -9.981 -13.999   1.940
  625   1HD   LYS  76          1HD       LYS  76  -9.758 -12.650  -0.091
  626   2HD   LYS  76          2HD       LYS  76  -8.099 -12.256   0.357
  627   1HE   LYS  76          1HE       LYS  76  -7.487 -14.595   0.231
  628   2HE   LYS  76          2HE       LYS  76  -9.148 -15.030  -0.164
  629   1HZ   LYS  76          1HZ       LYS  76  -8.946 -13.660  -2.169
  630   2HZ   LYS  76          2HZ       LYS  76  -7.824 -14.914  -2.154
  631   3HZ   LYS  76          3HZ       LYS  76  -7.330 -13.345  -1.792
  632    HA   PRO  77           HA       PRO  77  -9.740  -7.042   3.724
  633   1HB   PRO  77          1HB       PRO  77  -8.457  -5.535   1.591
  634   2HB   PRO  77          2HB       PRO  77  -8.072  -5.575   3.319
  635   1HG   PRO  77          1HG       PRO  77  -6.382  -6.632   1.450
  636   2HG   PRO  77          2HG       PRO  77  -6.549  -7.293   3.089
  637   1HD   PRO  77          1HD       PRO  77  -7.908  -8.201   0.573
  638   2HD   PRO  77          2HD       PRO  77  -6.990  -9.153   1.773
  639    H    CYS  78           H        CYS  78 -10.698  -4.939   2.297
  640    HA   CYS  78           HA       CYS  78 -12.828  -6.143   0.806
  641   1HB   CYS  78          1HB       CYS  78 -13.180  -4.281   2.424
  642   2HB   CYS  78          2HB       CYS  78 -12.276  -3.221   1.354
  643    HG   CYS  78           HG       CYS  78 -15.038  -4.825   0.221
  644    H    TYR  79           H        TYR  79  -9.987  -4.237   0.141
  645    HA   TYR  79           HA       TYR  79 -10.778  -3.872  -2.615
  646   1HB   TYR  79          1HB       TYR  79  -9.726  -2.057  -1.341
  647   2HB   TYR  79          2HB       TYR  79  -8.257  -3.012  -1.200
  648    HD1  TYR  79           HD1      TYR  79 -10.527  -1.459  -3.692
  649    HD2  TYR  79           HD2      TYR  79  -6.581  -2.795  -2.837
  650    HE1  TYR  79           HE1      TYR  79  -9.730  -0.406  -5.757
  651    HE2  TYR  79           HE2      TYR  79  -5.774  -1.749  -4.909
  652    HH   TYR  79           HH       TYR  79  -7.703   0.465  -6.634
  653    H    GLY  80           H        GLY  80  -7.683  -5.020  -1.156
  654   1HA   GLY  80          1HA       GLY  80  -7.712  -7.499  -2.421
  655   2HA   GLY  80          2HA       GLY  80  -6.791  -6.350  -3.390
  656    H    THR  81           H        THR  81  -5.404  -8.403  -2.398
  657    HA   THR  81           HA       THR  81  -4.228  -7.539   0.112
  658    HB   THR  81           HB       THR  81  -3.724 -10.094  -1.444
  659    HG1  THR  81           HG1      THR  81  -5.417 -10.568   0.558
  660   1HG2  THR  81          1HG2      THR  81  -2.167  -9.572   0.419
  661   2HG2  THR  81          2HG2      THR  81  -3.154 -10.988   0.780
  662   3HG2  THR  81          3HG2      THR  81  -3.544  -9.432   1.513
  663    H    ALA  82           H        ALA  82  -1.830  -7.375   0.147
  664    HA   ALA  82           HA       ALA  82  -0.766  -6.644  -2.503
  665   1HB   ALA  82          1HB       ALA  82  -0.208  -5.303   0.123
  666   2HB   ALA  82          2HB       ALA  82  -1.321  -4.716  -1.106
  667   3HB   ALA  82          3HB       ALA  82   0.406  -4.829  -1.465
  668    H    VAL  83           H        VAL  83   1.364  -7.079  -2.901
  669    HA   VAL  83           HA       VAL  83   2.973  -8.327  -0.808
  670    HB   VAL  83           HB       VAL  83   3.046  -9.156  -3.732
  671   1HG1  VAL  83          1HG1      VAL  83   5.103  -9.526  -2.613
  672   2HG1  VAL  83          2HG1      VAL  83   4.340 -11.086  -2.918
  673   3HG1  VAL  83          3HG1      VAL  83   4.306 -10.382  -1.301
  674   1HG2  VAL  83          1HG2      VAL  83   1.963 -11.293  -3.106
  675   2HG2  VAL  83          2HG2      VAL  83   0.918  -9.884  -2.954
  676   3HG2  VAL  83          3HG2      VAL  83   1.606 -10.613  -1.511
  677    H    VAL  84           H        VAL  84   4.274  -6.539  -0.544
  678    HA   VAL  84           HA       VAL  84   5.215  -5.386  -3.057
  679    HB   VAL  84           HB       VAL  84   5.338  -3.143  -2.009
  680   1HG1  VAL  84          1HG1      VAL  84   3.309  -3.744  -3.064
  681   2HG1  VAL  84          2HG1      VAL  84   3.017  -2.714  -1.664
  682   3HG1  VAL  84          3HG1      VAL  84   2.707  -4.448  -1.564
  683   1HG2  VAL  84          1HG2      VAL  84   4.259  -4.479   0.483
  684   2HG2  VAL  84          2HG2      VAL  84   4.538  -2.752   0.262
  685   3HG2  VAL  84          3HG2      VAL  84   5.904  -3.869   0.304
  686    H    GLU  85           H        GLU  85   7.341  -5.102  -3.438
  687    HA   GLU  85           HA       GLU  85   9.187  -5.751  -1.271
  688   1HB   GLU  85          1HB       GLU  85   8.908  -7.811  -2.539
  689   2HB   GLU  85          2HB       GLU  85   9.277  -6.963  -4.041
  690   1HG   GLU  85          1HG       GLU  85  11.537  -6.554  -3.274
  691   2HG   GLU  85          2HG       GLU  85  11.148  -7.306  -1.725
  692    H    LEU  86           H        LEU  86  10.760  -4.302  -1.157
  693    HA   LEU  86           HA       LEU  86  11.101  -2.456  -3.402
  694   1HB   LEU  86          1HB       LEU  86  10.513  -1.595  -1.135
  695   2HB   LEU  86          2HB       LEU  86  12.014  -2.253  -0.534
  696    HG   LEU  86           HG       LEU  86  13.168  -0.742  -2.206
  697   1HD1  LEU  86          1HD1      LEU  86  11.960   1.280  -2.856
  698   2HD1  LEU  86          2HD1      LEU  86  10.452   0.502  -2.354
  699   3HD1  LEU  86          3HD1      LEU  86  11.431  -0.195  -3.652
  700   1HD2  LEU  86          1HD2      LEU  86  13.007   1.217  -0.711
  701   2HD2  LEU  86          2HD2      LEU  86  13.218  -0.294   0.168
  702   3HD2  LEU  86          3HD2      LEU  86  11.632   0.467   0.095
  703    HA   PRO  87           HA       PRO  87  15.111  -4.556  -3.876
  704   1HB   PRO  87          1HB       PRO  87  15.883  -3.389  -6.160
  705   2HB   PRO  87          2HB       PRO  87  14.550  -4.555  -6.150
  706   1HG   PRO  87          1HG       PRO  87  14.453  -1.569  -6.198
  707   2HG   PRO  87          2HG       PRO  87  13.499  -2.733  -7.132
  708   1HD   PRO  87          1HD       PRO  87  12.604  -1.485  -4.855
  709   2HD   PRO  87          2HD       PRO  87  12.001  -3.052  -5.425
  710    H    VAL  88           H        VAL  88  14.487  -1.774  -2.644
  711    HA   VAL  88           HA       VAL  88  17.217  -0.696  -2.659
  712    HB   VAL  88           HB       VAL  88  14.739   0.771  -1.750
  713   1HG1  VAL  88          1HG1      VAL  88  16.806   1.645  -0.894
  714   2HG1  VAL  88          2HG1      VAL  88  16.087   2.789  -2.022
  715   3HG1  VAL  88          3HG1      VAL  88  17.454   1.795  -2.527
  716   1HG2  VAL  88          1HG2      VAL  88  14.666   1.998  -3.867
  717   2HG2  VAL  88          2HG2      VAL  88  14.421   0.269  -4.138
  718   3HG2  VAL  88          3HG2      VAL  88  15.988   1.009  -4.476
  719    H    ASP  89           H        ASP  89  17.938  -0.130  -0.604
  720    HA   ASP  89           HA       ASP  89  17.457  -2.001   1.426
  721   1HB   ASP  89          1HB       ASP  89  18.851   0.667   1.506
  722   2HB   ASP  89          2HB       ASP  89  19.040  -0.597   2.731
  723    HA   PRO  90           HA       PRO  90  14.059  -0.439   3.857
  724   1HB   PRO  90          1HB       PRO  90  15.090  -0.626   6.426
  725   2HB   PRO  90          2HB       PRO  90  14.369  -1.968   5.529
  726   1HG   PRO  90          1HG       PRO  90  17.252  -1.240   5.861
  727   2HG   PRO  90          2HG       PRO  90  16.491  -2.841   5.893
  728   1HD   PRO  90          1HD       PRO  90  17.813  -1.998   3.748
  729   2HD   PRO  90          2HD       PRO  90  16.314  -2.935   3.569
  730    H    GLU  91           H        GLU  91  17.118   1.045   4.101
  731    HA   GLU  91           HA       GLU  91  16.565   3.268   5.753
  732   1HB   GLU  91          1HB       GLU  91  18.490   4.313   4.626
  733   2HB   GLU  91          2HB       GLU  91  18.833   2.673   5.164
  734   1HG   GLU  91          1HG       GLU  91  18.494   1.842   2.951
  735   2HG   GLU  91          2HG       GLU  91  18.081   3.451   2.363
  736    H    GLU  92           H        GLU  92  15.511   2.504   2.604
  737    HA   GLU  92           HA       GLU  92  15.047   5.119   1.575
  738   1HB   GLU  92          1HB       GLU  92  15.159   2.947   0.275
  739   2HB   GLU  92          2HB       GLU  92  13.582   2.553   0.932
  740   1HG   GLU  92          1HG       GLU  92  13.371   3.396  -1.319
  741   2HG   GLU  92          2HG       GLU  92  12.642   4.526  -0.181
  742    H    ILE  93           H        ILE  93  13.528   3.142   3.952
  743    HA   ILE  93           HA       ILE  93  10.923   4.183   3.750
  744    HB   ILE  93           HB       ILE  93  12.326   2.667   5.956
  745   1HG1  ILE  93          1HG1      ILE  93  11.757   1.394   3.978
  746   2HG1  ILE  93          2HG1      ILE  93  10.746   0.893   5.333
  747   1HG2  ILE  93          1HG2      ILE  93   9.443   3.575   6.002
  748   2HG2  ILE  93          2HG2      ILE  93  10.720   4.117   7.092
  749   3HG2  ILE  93          3HG2      ILE  93  10.177   2.439   7.132
  750   1HD1  ILE  93          1HD1      ILE  93   8.913   2.283   4.439
  751   2HD1  ILE  93          2HD1      ILE  93   9.419   1.024   3.320
  752   3HD1  ILE  93          3HD1      ILE  93   9.910   2.680   3.040
  753    H    GLU  94           H        GLU  94  13.795   5.354   5.257
  754    HA   GLU  94           HA       GLU  94  12.635   7.183   7.039
  755   1HB   GLU  94          1HB       GLU  94  15.151   7.531   5.419
  756   2HB   GLU  94          2HB       GLU  94  14.732   8.429   6.868
  757   1HG   GLU  94          1HG       GLU  94  14.728   6.278   8.105
  758   2HG   GLU  94          2HG       GLU  94  15.352   5.507   6.646
  759    H    ARG  95           H        ARG  95  13.445   7.437   3.662
  760    HA   ARG  95           HA       ARG  95  12.614  10.073   3.169
  761   1HB   ARG  95          1HB       ARG  95  13.972   9.107   1.535
  762   2HB   ARG  95          2HB       ARG  95  13.066   7.611   1.511
  763   1HG   ARG  95          1HG       ARG  95  12.897   8.997  -0.562
  764   2HG   ARG  95          2HG       ARG  95  11.349   8.589   0.172
  765   1HD   ARG  95          1HD       ARG  95  11.380  10.876  -0.554
  766   2HD   ARG  95          2HD       ARG  95  11.241  10.710   1.195
  767    HE   ARG  95           HE       ARG  95  13.952  11.068   0.305
  768   1HH1  ARG  95          1HH1      ARG  95  11.039  12.834   1.181
  769   2HH1  ARG  95          2HH1      ARG  95  11.823  14.162   1.847
  770   1HH2  ARG  95          1HH2      ARG  95  15.106  12.895   1.188
  771   2HH2  ARG  95          2HH2      ARG  95  14.232  14.215   1.822
  772    H    ILE  96           H        ILE  96  11.014   7.001   2.808
  773    HA   ILE  96           HA       ILE  96   8.579   8.048   1.875
  774    HB   ILE  96           HB       ILE  96   9.554   5.478   2.914
  775   1HG1  ILE  96          1HG1      ILE  96   8.749   6.323   0.138
  776   2HG1  ILE  96          2HG1      ILE  96  10.381   6.137   0.760
  777   1HG2  ILE  96          1HG2      ILE  96   7.430   4.354   2.110
  778   2HG2  ILE  96          2HG2      ILE  96   6.754   5.953   1.805
  779   3HG2  ILE  96          3HG2      ILE  96   7.140   5.460   3.454
  780   1HD1  ILE  96          1HD1      ILE  96   8.376   3.921   0.370
  781   2HD1  ILE  96          2HD1      ILE  96  10.022   3.728   0.976
  782   3HD1  ILE  96          3HD1      ILE  96   9.749   4.278  -0.678
  783    H    LEU  97           H        LEU  97   9.890   7.679   5.042
  784    HA   LEU  97           HA       LEU  97   7.494   7.663   6.553
  785   1HB   LEU  97          1HB       LEU  97   9.680   6.965   7.456
  786   2HB   LEU  97          2HB       LEU  97  10.267   8.604   7.308
  787    HG   LEU  97           HG       LEU  97   8.592   9.316   9.002
  788   1HD1  LEU  97          1HD1      LEU  97   6.940   7.568   8.692
  789   2HD1  LEU  97          2HD1      LEU  97   7.490   7.608  10.367
  790   3HD1  LEU  97          3HD1      LEU  97   8.082   6.358   9.275
  791   1HD2  LEU  97          1HD2      LEU  97  10.888   8.824   9.649
  792   2HD2  LEU  97          2HD2      LEU  97  10.477   7.123   9.862
  793   3HD2  LEU  97          3HD2      LEU  97   9.765   8.341  10.919
  794    H    GLU  98           H        GLU  98   9.401  10.160   5.073
  795    HA   GLU  98           HA       GLU  98   8.152  12.379   6.411
  796   1HB   GLU  98          1HB       GLU  98  10.393  12.355   5.176
  797   2HB   GLU  98          2HB       GLU  98   9.445  12.316   3.701
  798   1HG   GLU  98          1HG       GLU  98   8.422  14.456   4.259
  799   2HG   GLU  98          2HG       GLU  98   9.364  14.525   5.746
  800    H    VAL  99           H        VAL  99   7.670  10.429   3.677
  801    HA   VAL  99           HA       VAL  99   5.585  11.922   2.362
  802    HB   VAL  99           HB       VAL  99   6.812   9.198   1.928
  803   1HG1  VAL  99          1HG1      VAL  99   5.884   9.290  -0.374
  804   2HG1  VAL  99          2HG1      VAL  99   5.059  10.793   0.046
  805   3HG1  VAL  99          3HG1      VAL  99   4.606   9.287   0.844
  806   1HG2  VAL  99          1HG2      VAL  99   8.028  10.249   0.078
  807   2HG2  VAL  99          2HG2      VAL  99   8.414  10.946   1.653
  808   3HG2  VAL  99          3HG2      VAL  99   7.337  11.800   0.546
  809    H    ALA 100           H        ALA 100   5.708   9.980   5.047
  810    HA   ALA 100           HA       ALA 100   3.711   8.116   4.885
  811   1HB   ALA 100          1HB       ALA 100   4.404   9.755   7.303
  812   2HB   ALA 100          2HB       ALA 100   5.221   8.281   6.781
  813   3HB   ALA 100          3HB       ALA 100   3.535   8.224   7.302
  814    H    GLU 101           H        GLU 101   3.420  11.511   5.397
  815    HA   GLU 101           HA       GLU 101   0.638  11.219   4.937
  816   1HB   GLU 101          1HB       GLU 101   0.877  11.122   7.395
  817   2HB   GLU 101          2HB       GLU 101   1.678  12.680   7.378
  818   1HG   GLU 101          1HG       GLU 101  -0.387  13.660   6.446
  819   2HG   GLU 101          2HG       GLU 101  -1.186  12.099   6.679
  820    HA   PRO 102           HA       PRO 102   2.352  15.123   3.123
  821   1HB   PRO 102          1HB       PRO 102   1.587  14.598   0.539
  822   2HB   PRO 102          2HB       PRO 102   3.124  14.094   1.244
  823   1HG   PRO 102          1HG       PRO 102   0.927  12.443   0.421
  824   2HG   PRO 102          2HG       PRO 102   2.489  11.952   1.101
  825   1HD   PRO 102          1HD       PRO 102  -0.145  12.240   2.441
  826   2HD   PRO 102          2HD       PRO 102   1.258  11.255   2.905
  Start of MODEL   15
    1    H    HIS   1           H        HIS   1   2.900   5.976 -12.923
    2    HA   HIS   1           HA       HIS   1   0.616   7.198 -11.574
    3   1HB   HIS   1          1HB       HIS   1   1.326   4.289 -11.943
    4   2HB   HIS   1          2HB       HIS   1   0.367   4.837 -10.577
    5    HD1  HIS   1           HD1      HIS   1  -0.230   3.342 -13.701
    6    HD2  HIS   1           HD2      HIS   1  -1.808   6.638 -11.724
    7    HE1  HIS   1           HE1      HIS   1  -2.471   3.781 -14.746
    8    H    MET   2           H        MET   2   1.347   8.305  -9.975
    9    HA   MET   2           HA       MET   2   3.009   7.073  -7.960
   10   1HB   MET   2          1HB       MET   2   3.591   9.767  -9.223
   11   2HB   MET   2          2HB       MET   2   4.301   9.172  -7.730
   12   1HG   MET   2          1HG       MET   2   5.398   7.367  -8.955
   13   2HG   MET   2          2HG       MET   2   4.669   7.942 -10.450
   14   1HE   MET   2          1HE       MET   2   5.294  10.226 -11.623
   15   2HE   MET   2          2HE       MET   2   6.468  11.375 -10.985
   16   3HE   MET   2          3HE       MET   2   4.937  11.132 -10.149
   17    H    THR   3           H        THR   3   1.971   7.449  -6.104
   18    HA   THR   3           HA       THR   3  -0.193   9.408  -6.128
   19    HB   THR   3           HB       THR   3   0.338   7.085  -4.275
   20    HG1  THR   3           HG1      THR   3  -1.653   6.359  -5.267
   21   1HG2  THR   3          1HG2      THR   3  -0.801   8.899  -3.083
   22   2HG2  THR   3          2HG2      THR   3  -1.905   7.548  -3.345
   23   3HG2  THR   3          3HG2      THR   3  -2.015   8.990  -4.356
   24    H    PHE   4           H        PHE   4   0.299  11.307  -5.323
   25    HA   PHE   4           HA       PHE   4   1.797  11.278  -2.849
   26   1HB   PHE   4          1HB       PHE   4   2.053  13.375  -5.023
   27   2HB   PHE   4          2HB       PHE   4   2.829  13.478  -3.446
   28    HD1  PHE   4           HD1      PHE   4   3.222  12.465  -6.763
   29    HD2  PHE   4           HD2      PHE   4   4.239  11.403  -2.785
   30    HE1  PHE   4           HE1      PHE   4   5.046  11.072  -7.600
   31    HE2  PHE   4           HE2      PHE   4   6.067  10.008  -3.621
   32    HZ   PHE   4           HZ       PHE   4   6.449   9.816  -6.015
   33    H    CYS   5           H        CYS   5  -1.081  11.487  -3.852
   34    HA   CYS   5           HA       CYS   5  -1.873  13.621  -2.043
   35   1HB   CYS   5          1HB       CYS   5  -3.096  13.067  -4.764
   36   2HB   CYS   5          2HB       CYS   5  -3.716  14.225  -3.597
   37    HG   CYS   5           HG       CYS   5  -2.570  15.874  -5.346
   38    H    LEU   6           H        LEU   6  -2.682  12.384  -0.406
   39    HA   LEU   6           HA       LEU   6  -3.748   9.847  -1.010
   40   1HB   LEU   6          1HB       LEU   6  -3.897   9.375   1.335
   41   2HB   LEU   6          2HB       LEU   6  -2.368  10.130   1.008
   42    HG   LEU   6           HG       LEU   6  -2.977  10.872   3.050
   43   1HD1  LEU   6          1HD1      LEU   6  -2.258  12.767   1.814
   44   2HD1  LEU   6          2HD1      LEU   6  -3.483  13.259   2.983
   45   3HD1  LEU   6          3HD1      LEU   6  -3.907  13.099   1.279
   46   1HD2  LEU   6          1HD2      LEU   6  -5.212  10.081   3.220
   47   2HD2  LEU   6          2HD2      LEU   6  -5.794  11.317   2.109
   48   3HD2  LEU   6          3HD2      LEU   6  -5.214  11.779   3.707
   49    H    GLU   7           H        GLU   7  -4.994  12.955  -0.173
   50    HA   GLU   7           HA       GLU   7  -7.600  12.116   0.553
   51   1HB   GLU   7          1HB       GLU   7  -6.978  13.998   1.658
   52   2HB   GLU   7          2HB       GLU   7  -6.124  14.718   0.338
   53   1HG   GLU   7          1HG       GLU   7  -7.980  16.107   0.762
   54   2HG   GLU   7          2HG       GLU   7  -8.448  15.142  -0.643
   55    H    THR   8           H        THR   8  -6.022  12.789  -2.421
   56    HA   THR   8           HA       THR   8  -8.367  13.394  -3.868
   57    HB   THR   8           HB       THR   8  -5.883  12.081  -4.915
   58    HG1  THR   8           HG1      THR   8  -6.452  14.788  -4.197
   59   1HG2  THR   8          1HG2      THR   8  -6.429  13.327  -6.972
   60   2HG2  THR   8          2HG2      THR   8  -7.853  14.002  -6.181
   61   3HG2  THR   8          3HG2      THR   8  -7.756  12.269  -6.495
   62    H    TYR   9           H        TYR   9  -6.688  10.474  -2.883
   63    HA   TYR   9           HA       TYR   9  -8.262   8.790  -4.477
   64   1HB   TYR   9          1HB       TYR   9  -6.243   8.365  -2.366
   65   2HB   TYR   9          2HB       TYR   9  -7.336   7.026  -2.718
   66    HD1  TYR   9           HD1      TYR   9  -4.680   9.179  -4.042
   67    HD2  TYR   9           HD2      TYR   9  -7.297   5.947  -4.875
   68    HE1  TYR   9           HE1      TYR   9  -3.402   8.679  -6.092
   69    HE2  TYR   9           HE2      TYR   9  -6.028   5.424  -6.915
   70    HH   TYR   9           HH       TYR   9  -3.006   6.662  -7.522
   71    H    LEU  10           H        LEU  10  -8.610  10.198  -1.418
   72    HA   LEU  10           HA       LEU  10 -10.607   8.600  -0.309
   73   1HB   LEU  10          1HB       LEU  10  -9.335  10.704   0.737
   74   2HB   LEU  10          2HB       LEU  10 -10.482  11.609  -0.159
   75    HG   LEU  10           HG       LEU  10 -11.450   9.679   1.939
   76   1HD1  LEU  10          1HD1      LEU  10 -10.700  12.576   2.275
   77   2HD1  LEU  10          2HD1      LEU  10  -9.880  11.197   3.008
   78   3HD1  LEU  10          3HD1      LEU  10 -11.536  11.586   3.470
   79   1HD2  LEU  10          1HD2      LEU  10 -13.387  11.178   1.975
   80   2HD2  LEU  10          2HD2      LEU  10 -13.121  10.533   0.354
   81   3HD2  LEU  10          3HD2      LEU  10 -12.635  12.184   0.737
   82    H    GLN  11           H        GLN  11 -10.649  11.437  -2.351
   83    HA   GLN  11           HA       GLN  11 -13.427  11.670  -2.731
   84   1HB   GLN  11          1HB       GLN  11 -11.026  12.812  -4.116
   85   2HB   GLN  11          2HB       GLN  11 -12.672  13.328  -4.468
   86   1HG   GLN  11          1HG       GLN  11 -12.952  14.042  -2.171
   87   2HG   GLN  11          2HG       GLN  11 -11.351  13.436  -1.770
   88   1HE2  GLN  11          1HE2      GLN  11 -10.688  15.352  -1.058
   89   2HE2  GLN  11          2HE2      GLN  11 -10.373  16.729  -2.059
   90    H    GLN  12           H        GLN  12 -10.921   9.936  -4.359
   91    HA   GLN  12           HA       GLN  12 -12.390   9.576  -6.737
   92   1HB   GLN  12          1HB       GLN  12  -9.889   8.278  -5.709
   93   2HB   GLN  12          2HB       GLN  12 -10.623   7.809  -7.230
   94   1HG   GLN  12          1HG       GLN  12 -10.320  10.031  -8.112
   95   2HG   GLN  12          2HG       GLN  12  -9.698  10.590  -6.557
   96   1HE2  GLN  12          1HE2      GLN  12  -9.053   8.638  -9.354
   97   2HE2  GLN  12          2HE2      GLN  12  -7.348   8.500  -9.081
   98    H    SER  13           H        SER  13 -11.733   7.615  -3.873
   99    HA   SER  13           HA       SER  13 -13.964   5.918  -4.564
  100   1HB   SER  13          1HB       SER  13 -11.212   4.761  -4.116
  101   2HB   SER  13          2HB       SER  13 -12.685   3.832  -4.348
  102    HG   SER  13           HG       SER  13 -11.017   4.944  -6.169
  103    H    GLY  14           H        GLY  14 -11.215   6.347  -2.382
  104   1HA   GLY  14          1HA       GLY  14 -12.506   6.876  -0.090
  105   2HA   GLY  14          2HA       GLY  14 -12.476   5.108  -0.174
  106    H    GLU  15           H        GLU  15 -11.064   6.488   1.785
  107    HA   GLU  15           HA       GLU  15  -8.420   6.987   1.020
  108   1HB   GLU  15          1HB       GLU  15  -9.269   6.080   3.779
  109   2HB   GLU  15          2HB       GLU  15  -7.852   7.005   3.349
  110   1HG   GLU  15          1HG       GLU  15  -9.180   8.631   4.242
  111   2HG   GLU  15          2HG       GLU  15  -9.616   8.760   2.540
  112    H    TYR  16           H        TYR  16  -6.685   5.786   0.909
  113    HA   TYR  16           HA       TYR  16  -6.741   2.942   1.645
  114   1HB   TYR  16          1HB       TYR  16  -7.020   3.121  -0.783
  115   2HB   TYR  16          2HB       TYR  16  -5.696   4.262  -0.891
  116    HD1  TYR  16           HD1      TYR  16  -3.554   3.497  -1.394
  117    HD2  TYR  16           HD2      TYR  16  -6.452   0.707  -0.011
  118    HE1  TYR  16           HE1      TYR  16  -2.004   1.654  -1.884
  119    HE2  TYR  16           HE2      TYR  16  -4.904  -1.142  -0.507
  120    HH   TYR  16           HH       TYR  16  -1.590  -0.525  -1.388
  121    H    GLU  17           H        GLU  17  -5.719   5.803   2.404
  122    HA   GLU  17           HA       GLU  17  -3.142   5.116   3.373
  123   1HB   GLU  17          1HB       GLU  17  -3.620   7.441   1.484
  124   2HB   GLU  17          2HB       GLU  17  -2.132   7.211   2.381
  125   1HG   GLU  17          1HG       GLU  17  -1.657   5.211   1.100
  126   2HG   GLU  17          2HG       GLU  17  -3.224   5.337   0.302
  127    H    ILE  18           H        ILE  18  -2.826   6.411   5.217
  128    HA   ILE  18           HA       ILE  18  -5.148   7.868   6.064
  129    HB   ILE  18           HB       ILE  18  -3.989   6.378   7.719
  130   1HG1  ILE  18          1HG1      ILE  18  -4.122   9.266   8.609
  131   2HG1  ILE  18          2HG1      ILE  18  -5.478   8.149   8.541
  132   1HG2  ILE  18          1HG2      ILE  18  -1.714   6.662   7.283
  133   2HG2  ILE  18          2HG2      ILE  18  -1.981   7.328   8.901
  134   3HG2  ILE  18          3HG2      ILE  18  -1.808   8.407   7.522
  135   1HD1  ILE  18          1HD1      ILE  18  -3.062   7.880  10.322
  136   2HD1  ILE  18          2HD1      ILE  18  -4.439   6.778  10.271
  137   3HD1  ILE  18          3HD1      ILE  18  -4.659   8.439  10.817
  138    H    HIS  19           H        HIS  19  -4.862  10.160   7.126
  139    HA   HIS  19           HA       HIS  19  -3.710  11.824   5.108
  140   1HB   HIS  19          1HB       HIS  19  -5.851  12.426   6.262
  141   2HB   HIS  19          2HB       HIS  19  -4.950  12.665   7.754
  142    HD1  HIS  19           HD1      HIS  19  -3.960  14.985   8.098
  143    HD2  HIS  19           HD2      HIS  19  -5.168  14.313   4.183
  144    HE1  HIS  19           HE1      HIS  19  -3.672  17.177   6.897
  145    H    MET  20           H        MET  20  -1.783  10.907   5.416
  146    HA   MET  20           HA       MET  20   0.086  12.474   7.036
  147   1HB   MET  20          1HB       MET  20  -0.193   9.514   6.797
  148   2HB   MET  20          2HB       MET  20   1.413  10.158   7.113
  149   1HG   MET  20          1HG       MET  20  -1.078  10.382   8.803
  150   2HG   MET  20          2HG       MET  20   0.353   9.414   9.154
  151   1HE   MET  20          1HE       MET  20   0.493  12.134  11.946
  152   2HE   MET  20          2HE       MET  20   0.512  10.409  11.584
  153   3HE   MET  20          3HE       MET  20  -0.945  11.357  11.284
  154    H    LYS  21           H        LYS  21   2.465  11.562   5.898
  155    HA   LYS  21           HA       LYS  21   1.999  12.500   3.211
  156   1HB   LYS  21          1HB       LYS  21   4.601  11.870   4.592
  157   2HB   LYS  21          2HB       LYS  21   4.461  12.516   2.964
  158   1HG   LYS  21          1HG       LYS  21   3.317  14.496   3.902
  159   2HG   LYS  21          2HG       LYS  21   3.621  13.862   5.520
  160   1HD   LYS  21          1HD       LYS  21   6.058  13.785   4.900
  161   2HD   LYS  21          2HD       LYS  21   5.636  14.707   3.453
  162   1HE   LYS  21          1HE       LYS  21   6.421  16.174   5.226
  163   2HE   LYS  21          2HE       LYS  21   4.723  16.481   4.869
  164   1HZ   LYS  21          1HZ       LYS  21   5.321  16.360   7.287
  165   2HZ   LYS  21          2HZ       LYS  21   5.593  14.693   7.062
  166   3HZ   LYS  21          3HZ       LYS  21   4.063  15.342   6.816
  167    H    ARG  22           H        ARG  22   1.600  11.286   1.619
  168    HA   ARG  22           HA       ARG  22   2.416   8.530   1.763
  169   1HB   ARG  22          1HB       ARG  22   0.413   8.027   0.582
  170   2HB   ARG  22          2HB       ARG  22  -0.004   9.283   1.694
  171   1HG   ARG  22          1HG       ARG  22   0.391   9.565  -1.258
  172   2HG   ARG  22          2HG       ARG  22  -1.123   9.671  -0.393
  173   1HD   ARG  22          1HD       ARG  22   1.181  11.602  -0.430
  174   2HD   ARG  22          2HD       ARG  22  -0.445  11.863  -1.020
  175    HE   ARG  22           HE       ARG  22  -0.560  11.442   1.742
  176   1HH1  ARG  22          1HH1      ARG  22   0.629  13.861  -0.611
  177   2HH1  ARG  22          2HH1      ARG  22   0.608  15.135   0.502
  178   1HH2  ARG  22          1HH2      ARG  22  -0.516  13.297   3.263
  179   2HH2  ARG  22          2HH2      ARG  22  -0.060  14.828   2.694
  180    H    ALA  23           H        ALA  23   3.741   7.777   0.231
  181    HA   ALA  23           HA       ALA  23   4.218   9.321  -2.178
  182   1HB   ALA  23          1HB       ALA  23   6.361   8.160  -0.374
  183   2HB   ALA  23          2HB       ALA  23   6.076   9.875  -0.675
  184   3HB   ALA  23          3HB       ALA  23   6.659   8.833  -1.974
  185    H    GLY  24           H        GLY  24   2.848   7.815  -3.068
  186   1HA   GLY  24          1HA       GLY  24   3.719   5.034  -2.930
  187   2HA   GLY  24          2HA       GLY  24   2.112   5.587  -3.411
  188    H    PHE  25           H        PHE  25   5.477   5.365  -4.409
  189    HA   PHE  25           HA       PHE  25   4.958   6.330  -7.034
  190   1HB   PHE  25          1HB       PHE  25   7.292   4.659  -6.062
  191   2HB   PHE  25          2HB       PHE  25   7.204   5.457  -7.620
  192    HD1  PHE  25           HD1      PHE  25   7.376   6.032  -3.975
  193    HD2  PHE  25           HD2      PHE  25   7.858   7.704  -7.851
  194    HE1  PHE  25           HE1      PHE  25   8.500   7.988  -2.980
  195    HE2  PHE  25           HE2      PHE  25   8.980   9.668  -6.867
  196    HZ   PHE  25           HZ       PHE  25   9.301   9.810  -4.431
  197    H    ARG  26           H        ARG  26   6.185   3.050  -6.406
  198    HA   ARG  26           HA       ARG  26   4.861   2.280  -8.825
  199   1HB   ARG  26          1HB       ARG  26   6.293   0.439  -6.925
  200   2HB   ARG  26          2HB       ARG  26   5.775   0.047  -8.556
  201   1HG   ARG  26          1HG       ARG  26   7.258   2.093  -9.208
  202   2HG   ARG  26          2HG       ARG  26   8.013   1.789  -7.648
  203   1HD   ARG  26          1HD       ARG  26   9.277   0.562  -9.239
  204   2HD   ARG  26          2HD       ARG  26   8.288  -0.618  -8.377
  205    HE   ARG  26           HE       ARG  26   7.765   0.424 -11.073
  206   1HH1  ARG  26          1HH1      ARG  26   7.210  -2.093  -8.668
  207   2HH1  ARG  26          2HH1      ARG  26   6.504  -3.199  -9.730
  208   1HH2  ARG  26          1HH2      ARG  26   6.851  -1.095 -12.583
  209   2HH2  ARG  26          2HH2      ARG  26   6.307  -2.609 -12.054
  210    H    GLU  27           H        GLU  27   3.971   1.925  -5.422
  211    HA   GLU  27           HA       GLU  27   2.097  -0.122  -5.946
  212   1HB   GLU  27          1HB       GLU  27   3.218   0.256  -3.763
  213   2HB   GLU  27          2HB       GLU  27   2.398   1.804  -3.667
  214   1HG   GLU  27          1HG       GLU  27   1.606  -0.263  -2.306
  215   2HG   GLU  27          2HG       GLU  27   0.399   0.841  -2.981
  216    H    CYS  28           H        CYS  28   2.174   3.205  -6.584
  217    HA   CYS  28           HA       CYS  28  -0.527   3.879  -6.437
  218   1HB   CYS  28          1HB       CYS  28   1.252   5.485  -7.012
  219   2HB   CYS  28          2HB       CYS  28   1.422   4.717  -8.584
  220    HG   CYS  28           HG       CYS  28  -0.894   6.759  -7.386
  221    H    ALA  29           H        ALA  29   1.266   1.941  -8.751
  222    HA   ALA  29           HA       ALA  29  -0.745   1.799 -10.767
  223   1HB   ALA  29          1HB       ALA  29   1.552  -0.059 -10.220
  224   2HB   ALA  29          2HB       ALA  29   1.627   1.370 -11.248
  225   3HB   ALA  29          3HB       ALA  29   0.599   0.009 -11.700
  226    H    ALA  30           H        ALA  30   0.225  -0.222  -8.139
  227    HA   ALA  30           HA       ALA  30  -1.568  -2.294  -8.587
  228   1HB   ALA  30          1HB       ALA  30  -0.389  -1.405  -6.037
  229   2HB   ALA  30          2HB       ALA  30   0.480  -2.236  -7.299
  230   3HB   ALA  30          3HB       ALA  30  -0.892  -3.035  -6.498
  231    H    MET  31           H        MET  31  -1.760   0.552  -6.460
  232    HA   MET  31           HA       MET  31  -4.088  -0.205  -5.125
  233   1HB   MET  31          1HB       MET  31  -4.432   2.150  -4.496
  234   2HB   MET  31          2HB       MET  31  -2.758   1.665  -4.306
  235   1HG   MET  31          1HG       MET  31  -2.207   2.783  -6.402
  236   2HG   MET  31          2HG       MET  31  -3.884   3.263  -6.585
  237   1HE   MET  31          1HE       MET  31  -0.648   3.651  -4.327
  238   2HE   MET  31          2HE       MET  31  -1.883   3.232  -3.137
  239   3HE   MET  31          3HE       MET  31  -1.195   4.850  -3.157
  240    H    ILE  32           H        ILE  32  -3.736   1.236  -8.264
  241    HA   ILE  32           HA       ILE  32  -6.407   1.973  -8.734
  242    HB   ILE  32           HB       ILE  32  -4.333   0.954 -10.698
  243   1HG1  ILE  32          1HG1      ILE  32  -3.513   2.921  -9.535
  244   2HG1  ILE  32          2HG1      ILE  32  -3.900   3.336 -11.197
  245   1HG2  ILE  32          1HG2      ILE  32  -6.857   2.515 -11.246
  246   2HG2  ILE  32          2HG2      ILE  32  -6.548   0.832 -11.677
  247   3HG2  ILE  32          3HG2      ILE  32  -5.616   2.123 -12.437
  248   1HD1  ILE  32          1HD1      ILE  32  -5.997   4.340 -10.445
  249   2HD1  ILE  32          2HD1      ILE  32  -4.587   5.080  -9.685
  250   3HD1  ILE  32          3HD1      ILE  32  -5.582   3.944  -8.774
  251    H    GLU  33           H        GLU  33  -4.655  -1.021  -9.057
  252    HA   GLU  33           HA       GLU  33  -6.760  -2.501 -10.324
  253   1HB   GLU  33          1HB       GLU  33  -4.325  -3.573  -8.908
  254   2HB   GLU  33          2HB       GLU  33  -5.267  -4.343 -10.175
  255   1HG   GLU  33          1HG       GLU  33  -3.591  -1.880 -10.544
  256   2HG   GLU  33          2HG       GLU  33  -3.082  -3.517 -10.931
  257    H    LYS  34           H        LYS  34  -5.470  -2.061  -7.093
  258    HA   LYS  34           HA       LYS  34  -6.827  -4.174  -5.819
  259   1HB   LYS  34          1HB       LYS  34  -5.449  -1.714  -4.806
  260   2HB   LYS  34          2HB       LYS  34  -6.252  -2.823  -3.699
  261   1HG   LYS  34          1HG       LYS  34  -4.809  -4.508  -4.065
  262   2HG   LYS  34          2HG       LYS  34  -4.347  -3.994  -5.683
  263   1HD   LYS  34          1HD       LYS  34  -3.103  -2.119  -4.573
  264   2HD   LYS  34          2HD       LYS  34  -3.483  -2.877  -3.021
  265   1HE   LYS  34          1HE       LYS  34  -2.436  -4.963  -3.841
  266   2HE   LYS  34          2HE       LYS  34  -1.978  -4.139  -5.312
  267   1HZ   LYS  34          1HZ       LYS  34  -0.120  -4.183  -3.751
  268   2HZ   LYS  34          2HZ       LYS  34  -1.053  -3.347  -2.596
  269   3HZ   LYS  34          3HZ       LYS  34  -0.656  -2.629  -4.007
  270    H    LYS  35           H        LYS  35  -7.915  -1.253  -6.912
  271    HA   LYS  35           HA       LYS  35 -10.104  -0.726  -5.194
  272   1HB   LYS  35          1HB       LYS  35  -9.270   0.970  -6.685
  273   2HB   LYS  35          2HB       LYS  35  -9.505  -0.063  -8.080
  274   1HG   LYS  35          1HG       LYS  35 -11.956   0.090  -7.708
  275   2HG   LYS  35          2HG       LYS  35 -11.635   1.231  -6.398
  276   1HD   LYS  35          1HD       LYS  35 -10.641   2.794  -7.902
  277   2HD   LYS  35          2HD       LYS  35 -10.673   1.628  -9.223
  278   1HE   LYS  35          1HE       LYS  35 -12.461   3.238  -9.507
  279   2HE   LYS  35          2HE       LYS  35 -13.105   1.638  -9.162
  280   1HZ   LYS  35          1HZ       LYS  35 -12.815   3.781  -7.112
  281   2HZ   LYS  35          2HZ       LYS  35 -13.586   2.284  -6.929
  282   3HZ   LYS  35          3HZ       LYS  35 -14.224   3.443  -7.963
  283    H    ALA  36           H        ALA  36  -9.515  -3.039  -7.724
  284    HA   ALA  36           HA       ALA  36 -12.211  -3.525  -8.425
  285   1HB   ALA  36          1HB       ALA  36  -9.796  -5.284  -8.856
  286   2HB   ALA  36          2HB       ALA  36 -10.378  -4.040  -9.961
  287   3HB   ALA  36          3HB       ALA  36 -11.360  -5.471  -9.645
  288    H    ARG  37           H        ARG  37  -9.948  -4.992  -6.165
  289    HA   ARG  37           HA       ARG  37 -11.809  -5.899  -4.330
  290   1HB   ARG  37          1HB       ARG  37 -12.458  -7.579  -6.063
  291   2HB   ARG  37          2HB       ARG  37 -10.785  -8.136  -6.074
  292   1HG   ARG  37          1HG       ARG  37 -10.953  -8.868  -3.777
  293   2HG   ARG  37          2HG       ARG  37 -12.595  -8.242  -3.666
  294   1HD   ARG  37          1HD       ARG  37 -11.710 -10.406  -5.565
  295   2HD   ARG  37          2HD       ARG  37 -12.469 -10.704  -4.003
  296    HE   ARG  37           HE       ARG  37 -14.105  -8.975  -5.448
  297   1HH1  ARG  37          1HH1      ARG  37 -13.005 -12.327  -5.683
  298   2HH1  ARG  37          2HH1      ARG  37 -14.437 -12.901  -6.381
  299   1HH2  ARG  37          1HH2      ARG  37 -16.062  -9.748  -6.425
  300   2HH2  ARG  37          2HH2      ARG  37 -16.204 -11.391  -6.854
  301    H    ARG  38           H        ARG  38  -8.994  -7.500  -5.780
  302    HA   ARG  38           HA       ARG  38  -7.278  -6.620  -3.741
  303   1HB   ARG  38          1HB       ARG  38  -8.390  -8.391  -2.492
  304   2HB   ARG  38          2HB       ARG  38  -8.115  -9.528  -3.795
  305   1HG   ARG  38          1HG       ARG  38  -5.702  -9.410  -3.401
  306   2HG   ARG  38          2HG       ARG  38  -5.980  -8.274  -2.082
  307   1HD   ARG  38          1HD       ARG  38  -5.654 -10.555  -1.248
  308   2HD   ARG  38          2HD       ARG  38  -7.271  -9.956  -0.881
  309    HE   ARG  38           HE       ARG  38  -7.127 -11.416  -3.329
  310   1HH1  ARG  38          1HH1      ARG  38  -7.427 -11.814   0.194
  311   2HH1  ARG  38          2HH1      ARG  38  -8.228 -13.302   0.098
  312   1HH2  ARG  38          1HH2      ARG  38  -8.224 -13.442  -3.459
  313   2HH2  ARG  38          2HH2      ARG  38  -8.703 -14.265  -2.034
  314    H    VAL  39           H        VAL  39  -5.303  -6.518  -4.784
  315    HA   VAL  39           HA       VAL  39  -4.683  -8.434  -6.912
  316    HB   VAL  39           HB       VAL  39  -4.611  -5.397  -7.211
  317   1HG1  VAL  39          1HG1      VAL  39  -3.715  -5.706  -9.467
  318   2HG1  VAL  39          2HG1      VAL  39  -3.677  -7.445  -9.237
  319   3HG1  VAL  39          3HG1      VAL  39  -2.612  -6.410  -8.284
  320   1HG2  VAL  39          1HG2      VAL  39  -6.804  -6.356  -7.577
  321   2HG2  VAL  39          2HG2      VAL  39  -6.140  -7.495  -8.746
  322   3HG2  VAL  39          3HG2      VAL  39  -6.147  -5.771  -9.104
  323    H    VAL  40           H        VAL  40  -2.364  -8.495  -7.398
  324    HA   VAL  40           HA       VAL  40  -0.689  -7.619  -5.153
  325    HB   VAL  40           HB       VAL  40  -0.762 -10.074  -5.387
  326   1HG1  VAL  40          1HG1      VAL  40   0.186  -9.646  -8.205
  327   2HG1  VAL  40          2HG1      VAL  40  -1.387 -10.261  -7.696
  328   3HG1  VAL  40          3HG1      VAL  40   0.069 -11.205  -7.390
  329   1HG2  VAL  40          1HG2      VAL  40   1.624 -10.588  -5.632
  330   2HG2  VAL  40          2HG2      VAL  40   1.400  -9.104  -4.697
  331   3HG2  VAL  40          3HG2      VAL  40   1.890  -9.017  -6.385
  332    H    HIS  41           H        HIS  41   1.376  -6.674  -5.597
  333    HA   HIS  41           HA       HIS  41   1.872  -5.994  -8.372
  334   1HB   HIS  41          1HB       HIS  41   0.722  -4.139  -7.109
  335   2HB   HIS  41          2HB       HIS  41   2.141  -4.044  -6.080
  336    HD1  HIS  41           HD1      HIS  41   1.070  -3.352  -9.716
  337    HD2  HIS  41           HD2      HIS  41   4.147  -2.413  -7.071
  338    HE1  HIS  41           HE1      HIS  41   2.644  -1.838 -10.940
  339    H    ILE  42           H        ILE  42   3.896  -6.374  -8.815
  340    HA   ILE  42           HA       ILE  42   5.589  -7.227  -6.628
  341    HB   ILE  42           HB       ILE  42   5.788  -7.704  -9.613
  342   1HG1  ILE  42          1HG1      ILE  42   5.591 -10.162  -8.918
  343   2HG1  ILE  42          2HG1      ILE  42   5.078  -9.577  -7.347
  344   1HG2  ILE  42          1HG2      ILE  42   7.639  -8.702  -7.443
  345   2HG2  ILE  42          2HG2      ILE  42   8.034  -7.562  -8.732
  346   3HG2  ILE  42          3HG2      ILE  42   7.677  -9.242  -9.121
  347   1HD1  ILE  42          1HD1      ILE  42   3.152  -8.480  -8.421
  348   2HD1  ILE  42          2HD1      ILE  42   3.179 -10.221  -8.708
  349   3HD1  ILE  42          3HD1      ILE  42   3.683  -9.110  -9.980
  350    H    LYS  43           H        LYS  43   7.470  -6.232  -6.181
  351    HA   LYS  43           HA       LYS  43   9.061  -4.689  -6.052
  352   1HB   LYS  43          1HB       LYS  43   8.418  -4.050  -8.942
  353   2HB   LYS  43          2HB       LYS  43   9.724  -3.301  -8.048
  354   1HG   LYS  43          1HG       LYS  43  10.748  -5.503  -7.762
  355   2HG   LYS  43          2HG       LYS  43   9.450  -6.216  -8.719
  356   1HD   LYS  43          1HD       LYS  43  10.091  -4.842 -10.619
  357   2HD   LYS  43          2HD       LYS  43  11.376  -4.099  -9.661
  358   1HE   LYS  43          1HE       LYS  43  12.397  -6.324  -9.365
  359   2HE   LYS  43          2HE       LYS  43  11.140  -7.012 -10.383
  360   1HZ   LYS  43          1HZ       LYS  43  13.125  -4.981 -11.233
  361   2HZ   LYS  43          2HZ       LYS  43  11.926  -5.653 -12.214
  362   3HZ   LYS  43          3HZ       LYS  43  13.156  -6.620 -11.594
  363    HA   PRO  44           HA       PRO  44   5.681  -1.498  -5.635
  364   1HB   PRO  44          1HB       PRO  44   5.222  -1.649  -2.957
  365   2HB   PRO  44          2HB       PRO  44   4.379  -2.684  -4.113
  366   1HG   PRO  44          1HG       PRO  44   6.741  -3.308  -2.403
  367   2HG   PRO  44          2HG       PRO  44   5.323  -4.308  -2.750
  368   1HD   PRO  44          1HD       PRO  44   7.704  -4.612  -3.994
  369   2HD   PRO  44          2HD       PRO  44   6.151  -5.014  -4.749
  370    H    GLY  45           H        GLY  45   6.130   0.559  -4.985
  371   1HA   GLY  45          1HA       GLY  45   8.654   1.017  -3.550
  372   2HA   GLY  45          2HA       GLY  45   8.409   1.769  -5.130
  373    H    GLU  46           H        GLU  46   6.212   1.197  -2.476
  374    HA   GLU  46           HA       GLU  46   5.558   3.998  -2.509
  375   1HB   GLU  46          1HB       GLU  46   3.381   3.276  -2.105
  376   2HB   GLU  46          2HB       GLU  46   4.113   1.950  -2.888
  377   1HG   GLU  46          1HG       GLU  46   4.021   1.940   0.107
  378   2HG   GLU  46          2HG       GLU  46   2.694   1.338  -0.870
  379    H    LYS  47           H        LYS  47   5.474   5.100  -0.666
  380    HA   LYS  47           HA       LYS  47   6.319   3.942   1.845
  381   1HB   LYS  47          1HB       LYS  47   7.156   6.542   0.644
  382   2HB   LYS  47          2HB       LYS  47   7.483   6.053   2.303
  383   1HG   LYS  47          1HG       LYS  47   8.840   4.243   1.531
  384   2HG   LYS  47          2HG       LYS  47   8.477   4.656  -0.153
  385   1HD   LYS  47          1HD       LYS  47   9.741   6.366   1.872
  386   2HD   LYS  47          2HD       LYS  47  10.621   5.480   0.603
  387   1HE   LYS  47          1HE       LYS  47   9.157   6.785  -1.043
  388   2HE   LYS  47          2HE       LYS  47   8.622   7.733   0.334
  389   1HZ   LYS  47          1HZ       LYS  47  10.403   8.983  -0.614
  390   2HZ   LYS  47          2HZ       LYS  47  11.362   7.625  -0.778
  391   3HZ   LYS  47          3HZ       LYS  47  11.010   8.241   0.761
  392    H    ILE  48           H        ILE  48   4.411   3.861   2.032
  393    HA   ILE  48           HA       ILE  48   2.776   6.263   1.959
  394    HB   ILE  48           HB       ILE  48   0.732   4.867   2.131
  395   1HG1  ILE  48          1HG1      ILE  48   2.647   2.528   1.813
  396   2HG1  ILE  48          2HG1      ILE  48   1.737   2.889   3.274
  397   1HG2  ILE  48          1HG2      ILE  48   1.552   5.611  -0.008
  398   2HG2  ILE  48          2HG2      ILE  48   0.876   3.988  -0.155
  399   3HG2  ILE  48          3HG2      ILE  48   2.625   4.217  -0.111
  400   1HD1  ILE  48          1HD1      ILE  48   0.695   1.094   1.996
  401   2HD1  ILE  48          2HD1      ILE  48   0.558   2.159   0.597
  402   3HD1  ILE  48          3HD1      ILE  48  -0.353   2.512   2.064
  403    H    LEU  49           H        LEU  49   2.953   7.434   3.593
  404    HA   LEU  49           HA       LEU  49   2.668   8.344   5.615
  405   1HB   LEU  49          1HB       LEU  49   1.064   5.972   6.506
  406   2HB   LEU  49          2HB       LEU  49   0.918   7.630   7.018
  407    HG   LEU  49           HG       LEU  49  -0.959   7.490   5.772
  408   1HD1  LEU  49          1HD1      LEU  49   0.200   9.234   4.737
  409   2HD1  LEU  49          2HD1      LEU  49  -0.827   8.384   3.591
  410   3HD1  LEU  49          3HD1      LEU  49   0.916   8.116   3.579
  411   1HD2  LEU  49          1HD2      LEU  49   0.365   5.466   4.000
  412   2HD2  LEU  49          2HD2      LEU  49  -1.291   6.041   3.807
  413   3HD2  LEU  49          3HD2      LEU  49  -0.828   5.157   5.261
  414    H    GLY  50           H        GLY  50   4.518   5.860   5.244
  415   1HA   GLY  50          1HA       GLY  50   6.295   5.001   6.561
  416   2HA   GLY  50          2HA       GLY  50   5.677   5.946   7.914
  417    H    ALA  51           H        ALA  51   3.076   4.412   6.782
  418    HA   ALA  51           HA       ALA  51   3.294   1.782   7.843
  419   1HB   ALA  51          1HB       ALA  51   1.599   2.125   9.616
  420   2HB   ALA  51          2HB       ALA  51   1.627   3.857   9.297
  421   3HB   ALA  51          3HB       ALA  51   3.055   3.066   9.953
  422    H    ARG  52           H        ARG  52   1.747   0.615   6.785
  423    HA   ARG  52           HA       ARG  52   0.210   1.975   4.763
  424   1HB   ARG  52          1HB       ARG  52   0.004  -0.916   5.525
  425   2HB   ARG  52          2HB       ARG  52  -0.416  -0.188   3.985
  426   1HG   ARG  52          1HG       ARG  52   1.977   0.225   3.574
  427   2HG   ARG  52          2HG       ARG  52   2.352  -0.549   5.116
  428   1HD   ARG  52          1HD       ARG  52   1.129  -1.787   2.661
  429   2HD   ARG  52          2HD       ARG  52   2.637  -2.225   3.467
  430    HE   ARG  52           HE       ARG  52  -0.007  -2.584   4.710
  431   1HH1  ARG  52          1HH1      ARG  52   3.250  -3.830   4.117
  432   2HH1  ARG  52          2HH1      ARG  52   2.921  -5.382   4.749
  433   1HH2  ARG  52          1HH2      ARG  52  -0.435  -4.754   5.582
  434   2HH2  ARG  52          2HH2      ARG  52   0.788  -5.939   5.560
  435    H    ILE  53           H        ILE  53  -1.243   3.200   6.015
  436    HA   ILE  53           HA       ILE  53  -3.260   1.685   7.512
  437    HB   ILE  53           HB       ILE  53  -2.680   4.662   7.526
  438   1HG1  ILE  53          1HG1      ILE  53  -1.932   2.564   9.589
  439   2HG1  ILE  53          2HG1      ILE  53  -0.813   3.363   8.498
  440   1HG2  ILE  53          1HG2      ILE  53  -4.424   2.975   9.341
  441   2HG2  ILE  53          2HG2      ILE  53  -4.999   4.107   8.117
  442   3HG2  ILE  53          3HG2      ILE  53  -4.129   4.703   9.532
  443   1HD1  ILE  53          1HD1      ILE  53  -1.258   5.494   9.586
  444   2HD1  ILE  53          2HD1      ILE  53  -0.714   4.283  10.747
  445   3HD1  ILE  53          3HD1      ILE  53  -2.422   4.711  10.655
  446    H    ILE  54           H        ILE  54  -5.228   1.567   6.570
  447    HA   ILE  54           HA       ILE  54  -5.603   2.618   3.939
  448    HB   ILE  54           HB       ILE  54  -7.553   1.259   5.839
  449   1HG1  ILE  54          1HG1      ILE  54  -5.655  -0.204   5.390
  450   2HG1  ILE  54          2HG1      ILE  54  -7.096  -0.816   4.592
  451   1HG2  ILE  54          1HG2      ILE  54  -7.766   1.607   2.856
  452   2HG2  ILE  54          2HG2      ILE  54  -8.709   2.469   4.069
  453   3HG2  ILE  54          3HG2      ILE  54  -8.895   0.725   3.884
  454   1HD1  ILE  54          1HD1      ILE  54  -4.829   0.678   3.277
  455   2HD1  ILE  54          2HD1      ILE  54  -6.282   0.100   2.463
  456   3HD1  ILE  54          3HD1      ILE  54  -5.148  -1.052   3.170
  457    H    GLY  55           H        GLY  55  -6.717   3.325   7.155
  458   1HA   GLY  55          1HA       GLY  55  -7.216   5.586   7.845
  459   2HA   GLY  55          2HA       GLY  55  -7.673   5.944   6.177
  460    H    ILE  56           H        ILE  56  -9.045   3.511   5.863
  461    HA   ILE  56           HA       ILE  56 -11.549   4.087   7.278
  462    HB   ILE  56           HB       ILE  56 -10.982   2.322   4.887
  463   1HG1  ILE  56          1HG1      ILE  56 -12.180   5.102   4.960
  464   2HG1  ILE  56          2HG1      ILE  56 -10.596   4.663   4.336
  465   1HG2  ILE  56          1HG2      ILE  56 -13.455   2.312   4.582
  466   2HG2  ILE  56          2HG2      ILE  56 -13.625   3.262   6.057
  467   3HG2  ILE  56          3HG2      ILE  56 -12.976   1.623   6.135
  468   1HD1  ILE  56          1HD1      ILE  56 -11.684   3.320   2.586
  469   2HD1  ILE  56          2HD1      ILE  56 -12.145   5.023   2.531
  470   3HD1  ILE  56          3HD1      ILE  56 -13.252   3.835   3.218
  471    HA   PRO  57           HA       PRO  57 -10.220   0.664   9.906
  472   1HB   PRO  57          1HB       PRO  57 -13.172   0.441  10.281
  473   2HB   PRO  57          2HB       PRO  57 -11.890   0.474  11.498
  474   1HG   PRO  57          1HG       PRO  57 -13.372   2.625  11.087
  475   2HG   PRO  57          2HG       PRO  57 -11.623   2.778  11.339
  476   1HD   PRO  57          1HD       PRO  57 -13.195   2.974   8.804
  477   2HD   PRO  57          2HD       PRO  57 -11.772   3.895   9.330
  478    HA   PRO  58           HA       PRO  58 -11.446  -2.575   7.020
  479   1HB   PRO  58          1HB       PRO  58  -9.042  -3.620   6.626
  480   2HB   PRO  58          2HB       PRO  58  -9.498  -2.089   5.871
  481   1HG   PRO  58          1HG       PRO  58  -7.675  -2.617   8.122
  482   2HG   PRO  58          2HG       PRO  58  -7.691  -1.254   6.974
  483   1HD   PRO  58          1HD       PRO  58  -8.754  -1.338   9.656
  484   2HD   PRO  58          2HD       PRO  58  -8.811   0.010   8.501
  485    H    VAL  59           H        VAL  59 -12.077  -4.481   7.586
  486    HA   VAL  59           HA       VAL  59 -11.594  -5.603  10.165
  487    HB   VAL  59           HB       VAL  59 -12.721  -7.032   7.719
  488   1HG1  VAL  59          1HG1      VAL  59 -13.077  -7.620  10.652
  489   2HG1  VAL  59          2HG1      VAL  59 -12.068  -8.538   9.539
  490   3HG1  VAL  59          3HG1      VAL  59 -13.820  -8.508   9.320
  491   1HG2  VAL  59          1HG2      VAL  59 -14.183  -5.496   9.866
  492   2HG2  VAL  59          2HG2      VAL  59 -14.936  -6.414   8.562
  493   3HG2  VAL  59          3HG2      VAL  59 -13.971  -4.984   8.194
  494    HA   PRO  60           HA       PRO  60  -7.688  -7.107   8.719
  495   1HB   PRO  60          1HB       PRO  60  -6.513  -7.557  11.064
  496   2HB   PRO  60          2HB       PRO  60  -6.872  -5.921  10.502
  497   1HG   PRO  60          1HG       PRO  60  -8.288  -7.567  12.538
  498   2HG   PRO  60          2HG       PRO  60  -8.029  -5.816  12.486
  499   1HD   PRO  60          1HD       PRO  60 -10.372  -7.174  11.718
  500   2HD   PRO  60          2HD       PRO  60  -9.962  -5.483  11.366
  501    H    ILE  61           H        ILE  61  -8.512  -8.980   7.718
  502    HA   ILE  61           HA       ILE  61  -8.003 -11.449   9.220
  503    HB   ILE  61           HB       ILE  61  -9.872 -10.975   6.854
  504   1HG1  ILE  61          1HG1      ILE  61 -10.615 -11.611   9.720
  505   2HG1  ILE  61          2HG1      ILE  61 -10.737 -10.025   8.974
  506   1HG2  ILE  61          1HG2      ILE  61  -9.413 -13.477   8.476
  507   2HG2  ILE  61          2HG2      ILE  61  -8.909 -13.206   6.808
  508   3HG2  ILE  61          3HG2      ILE  61 -10.627 -13.276   7.214
  509   1HD1  ILE  61          1HD1      ILE  61 -12.394 -10.881   7.406
  510   2HD1  ILE  61          2HD1      ILE  61 -12.901 -11.158   9.072
  511   3HD1  ILE  61          3HD1      ILE  61 -12.244 -12.488   8.114
  512    H    GLY  62           H        GLY  62  -6.594 -12.889   7.997
  513   1HA   GLY  62          1HA       GLY  62  -6.024 -13.028   5.401
  514   2HA   GLY  62          2HA       GLY  62  -5.371 -11.458   5.835
  515    H    ILE  63           H        ILE  63  -3.558 -12.890   4.764
  516    HA   ILE  63           HA       ILE  63  -1.922 -13.872   6.983
  517    HB   ILE  63           HB       ILE  63  -1.947 -14.882   4.110
  518   1HG1  ILE  63          1HG1      ILE  63  -2.788 -16.317   6.643
  519   2HG1  ILE  63          2HG1      ILE  63  -3.893 -15.645   5.452
  520   1HG2  ILE  63          1HG2      ILE  63  -0.332 -16.560   4.886
  521   2HG2  ILE  63          2HG2      ILE  63  -0.328 -15.815   6.482
  522   3HG2  ILE  63          3HG2      ILE  63   0.290 -14.922   5.093
  523   1HD1  ILE  63          1HD1      ILE  63  -1.916 -17.866   4.973
  524   2HD1  ILE  63          2HD1      ILE  63  -3.036 -17.209   3.781
  525   3HD1  ILE  63          3HD1      ILE  63  -3.654 -18.056   5.201
  526    H    ASP  64           H        ASP  64  -0.625 -12.091   7.293
  527    HA   ASP  64           HA       ASP  64   0.540 -10.754   4.955
  528   1HB   ASP  64          1HB       ASP  64  -0.466  -9.335   6.786
  529   2HB   ASP  64          2HB       ASP  64   0.695 -10.015   7.910
  530    H    GLU  65           H        GLU  65   2.265 -11.867   4.275
  531    HA   GLU  65           HA       GLU  65   3.778 -13.459   6.104
  532   1HB   GLU  65          1HB       GLU  65   3.994 -12.951   3.157
  533   2HB   GLU  65          2HB       GLU  65   5.120 -13.973   4.039
  534   1HG   GLU  65          1HG       GLU  65   2.148 -14.403   3.918
  535   2HG   GLU  65          2HG       GLU  65   3.331 -15.227   2.900
  536    H    GLU  66           H        GLU  66   4.810 -11.057   3.742
  537    HA   GLU  66           HA       GLU  66   6.329  -9.576   5.564
  538   1HB   GLU  66          1HB       GLU  66   7.752 -11.639   5.479
  539   2HB   GLU  66          2HB       GLU  66   7.839 -11.489   3.734
  540   1HG   GLU  66          1HG       GLU  66   9.884 -10.767   4.976
  541   2HG   GLU  66          2HG       GLU  66   9.213  -9.553   3.891
  542    H    ARG  67           H        ARG  67   7.670  -8.069   4.238
  543    HA   ARG  67           HA       ARG  67   6.059  -6.730   2.311
  544   1HB   ARG  67          1HB       ARG  67   7.906  -5.909   3.991
  545   2HB   ARG  67          2HB       ARG  67   9.010  -6.350   2.721
  546   1HG   ARG  67          1HG       ARG  67   6.851  -4.243   2.523
  547   2HG   ARG  67          2HG       ARG  67   8.569  -3.964   2.761
  548   1HD   ARG  67          1HD       ARG  67   8.915  -5.138   0.546
  549   2HD   ARG  67          2HD       ARG  67   7.174  -5.023   0.325
  550    HE   ARG  67           HE       ARG  67   9.112  -2.891   0.190
  551   1HH1  ARG  67          1HH1      ARG  67   5.620  -3.568   0.568
  552   2HH1  ARG  67          2HH1      ARG  67   5.168  -2.048  -0.083
  553   1HH2  ARG  67          1HH2      ARG  67   8.349  -0.818  -0.780
  554   2HH2  ARG  67          2HH2      ARG  67   6.661  -0.611  -0.891
  555    H    SER  68           H        SER  68   8.782  -8.883   2.252
  556    HA   SER  68           HA       SER  68   9.023  -8.657  -0.605
  557   1HB   SER  68          1HB       SER  68  10.785 -10.036   1.394
  558   2HB   SER  68          2HB       SER  68  11.170  -9.682  -0.298
  559    HG   SER  68           HG       SER  68  11.794  -7.848   0.308
  560    H    THR  69           H        THR  69   6.852  -9.960   0.544
  561    HA   THR  69           HA       THR  69   6.998 -12.513  -0.799
  562    HB   THR  69           HB       THR  69   6.072 -12.347   2.091
  563    HG1  THR  69           HG1      THR  69   8.556 -12.669   1.005
  564   1HG2  THR  69          1HG2      THR  69   6.128 -14.820   1.993
  565   2HG2  THR  69          2HG2      THR  69   6.638 -14.736   0.309
  566   3HG2  THR  69          3HG2      THR  69   5.039 -14.158   0.775
  567    H    VAL  70           H        VAL  70   4.737 -13.301  -1.054
  568    HA   VAL  70           HA       VAL  70   2.993 -11.068  -1.419
  569    HB   VAL  70           HB       VAL  70   1.333 -12.811  -2.251
  570   1HG1  VAL  70          1HG1      VAL  70   2.610 -11.470  -3.770
  571   2HG1  VAL  70          2HG1      VAL  70   2.495 -13.123  -4.379
  572   3HG1  VAL  70          3HG1      VAL  70   3.984 -12.564  -3.620
  573   1HG2  VAL  70          1HG2      VAL  70   3.756 -14.604  -2.090
  574   2HG2  VAL  70          2HG2      VAL  70   2.235 -15.002  -2.894
  575   3HG2  VAL  70          3HG2      VAL  70   2.279 -14.780  -1.144
  576    H    MET  71           H        MET  71   1.742 -10.339  -0.049
  577    HA   MET  71           HA       MET  71   0.908 -11.938   2.240
  578   1HB   MET  71          1HB       MET  71   0.217  -9.740   3.203
  579   2HB   MET  71          2HB       MET  71   1.930  -9.809   2.809
  580   1HG   MET  71          1HG       MET  71   1.386  -8.586   0.685
  581   2HG   MET  71          2HG       MET  71  -0.257  -8.409   1.283
  582   1HE   MET  71          1HE       MET  71   3.479  -7.620   1.814
  583   2HE   MET  71          2HE       MET  71   3.082  -8.230   3.429
  584   3HE   MET  71          3HE       MET  71   3.462  -6.527   3.190
  585    H    ILE  72           H        ILE  72  -0.979 -12.948   1.957
  586    HA   ILE  72           HA       ILE  72  -2.909 -11.642   0.170
  587    HB   ILE  72           HB       ILE  72  -2.936 -14.590   0.944
  588   1HG1  ILE  72          1HG1      ILE  72  -2.477 -14.922  -1.578
  589   2HG1  ILE  72          2HG1      ILE  72  -1.931 -13.253  -1.576
  590   1HG2  ILE  72          1HG2      ILE  72  -4.581 -13.078  -1.080
  591   2HG2  ILE  72          2HG2      ILE  72  -5.140 -13.692   0.474
  592   3HG2  ILE  72          3HG2      ILE  72  -4.648 -14.817  -0.792
  593   1HD1  ILE  72          1HD1      ILE  72  -0.075 -14.805  -1.421
  594   2HD1  ILE  72          2HD1      ILE  72  -0.765 -15.501   0.048
  595   3HD1  ILE  72          3HD1      ILE  72  -0.202 -13.830   0.043
  596    HA   PRO  73           HA       PRO  73  -5.039 -11.586   4.051
  597   1HB   PRO  73          1HB       PRO  73  -5.517  -8.884   4.126
  598   2HB   PRO  73          2HB       PRO  73  -4.061  -9.653   4.763
  599   1HG   PRO  73          1HG       PRO  73  -4.274  -7.898   2.493
  600   2HG   PRO  73          2HG       PRO  73  -2.818  -8.680   3.131
  601   1HD   PRO  73          1HD       PRO  73  -4.576  -9.513   0.885
  602   2HD   PRO  73          2HD       PRO  73  -2.851  -9.853   1.173
  603    H    TYR  74           H        TYR  74  -7.186 -10.516   4.626
  604    HA   TYR  74           HA       TYR  74  -8.902 -10.115   2.357
  605   1HB   TYR  74          1HB       TYR  74  -9.250 -12.462   3.104
  606   2HB   TYR  74          2HB       TYR  74  -9.525 -11.844   4.739
  607    HD1  TYR  74           HD1      TYR  74 -10.859 -10.973   1.341
  608    HD2  TYR  74           HD2      TYR  74 -11.736 -11.951   5.390
  609    HE1  TYR  74           HE1      TYR  74 -13.257 -10.677   0.890
  610    HE2  TYR  74           HE2      TYR  74 -14.133 -11.661   4.947
  611    HH   TYR  74           HH       TYR  74 -15.364 -11.431   1.811
  612    H    THR  75           H        THR  75  -8.626  -7.957   2.931
  613    HA   THR  75           HA       THR  75  -9.496  -7.344   5.581
  614    HB   THR  75           HB       THR  75  -8.742  -4.974   4.947
  615    HG1  THR  75           HG1      THR  75  -8.630  -5.937   2.572
  616   1HG2  THR  75          1HG2      THR  75  -7.393  -6.443   6.375
  617   2HG2  THR  75          2HG2      THR  75  -6.358  -5.508   5.295
  618   3HG2  THR  75          3HG2      THR  75  -6.694  -7.202   4.945
  619    H    LYS  76           H        LYS  76 -11.331  -6.163   5.917
  620    HA   LYS  76           HA       LYS  76 -12.914  -5.680   3.496
  621   1HB   LYS  76          1HB       LYS  76 -13.947  -6.161   6.296
  622   2HB   LYS  76          2HB       LYS  76 -14.927  -5.933   4.863
  623   1HG   LYS  76          1HG       LYS  76 -14.017  -8.002   3.903
  624   2HG   LYS  76          2HG       LYS  76 -13.024  -8.225   5.340
  625   1HD   LYS  76          1HD       LYS  76 -14.946  -9.628   5.563
  626   2HD   LYS  76          2HD       LYS  76 -15.133  -8.285   6.688
  627   1HE   LYS  76          1HE       LYS  76 -17.251  -8.719   5.584
  628   2HE   LYS  76          2HE       LYS  76 -16.618  -7.170   5.052
  629   1HZ   LYS  76          1HZ       LYS  76 -16.280  -9.686   3.498
  630   2HZ   LYS  76          2HZ       LYS  76 -15.971  -8.101   2.978
  631   3HZ   LYS  76          3HZ       LYS  76 -17.540  -8.603   3.275
  632    HA   PRO  77           HA       PRO  77 -12.735  -1.429   5.080
  633   1HB   PRO  77          1HB       PRO  77 -11.265  -0.398   3.047
  634   2HB   PRO  77          2HB       PRO  77 -10.502  -1.235   4.398
  635   1HG   PRO  77          1HG       PRO  77 -10.676  -2.067   1.620
  636   2HG   PRO  77          2HG       PRO  77  -9.777  -2.827   2.940
  637   1HD   PRO  77          1HD       PRO  77 -12.451  -3.495   1.859
  638   2HD   PRO  77          2HD       PRO  77 -11.314  -4.509   2.778
  639    H    CYS  78           H        CYS  78 -12.844   0.564   3.006
  640    HA   CYS  78           HA       CYS  78 -15.275  -0.246   1.575
  641   1HB   CYS  78          1HB       CYS  78 -15.401   1.675   3.256
  642   2HB   CYS  78          2HB       CYS  78 -14.323   2.561   2.186
  643    HG   CYS  78           HG       CYS  78 -16.448   1.945   0.080
  644    H    TYR  79           H        TYR  79 -12.212  -0.368   1.025
  645    HA   TYR  79           HA       TYR  79 -12.304   0.858  -1.642
  646   1HB   TYR  79          1HB       TYR  79 -10.660   1.957  -0.072
  647   2HB   TYR  79          2HB       TYR  79  -9.798   0.431   0.026
  648    HD1  TYR  79           HD1      TYR  79  -8.352  -0.293  -1.811
  649    HD2  TYR  79           HD2      TYR  79 -10.654   3.268  -2.126
  650    HE1  TYR  79           HE1      TYR  79  -7.048   0.369  -3.792
  651    HE2  TYR  79           HE2      TYR  79  -9.355   3.935  -4.094
  652    HH   TYR  79           HH       TYR  79  -7.166   1.777  -5.666
  653    H    GLY  80           H        GLY  80  -9.896  -1.441  -0.260
  654   1HA   GLY  80          1HA       GLY  80 -10.943  -3.756  -1.404
  655   2HA   GLY  80          2HA       GLY  80  -9.784  -3.023  -2.514
  656    H    THR  81           H        THR  81  -8.754  -5.221  -1.889
  657    HA   THR  81           HA       THR  81  -7.174  -4.866   0.545
  658    HB   THR  81           HB       THR  81  -7.801  -7.442  -0.923
  659    HG1  THR  81           HG1      THR  81  -9.558  -6.287   0.280
  660   1HG2  THR  81          1HG2      THR  81  -6.556  -6.966   1.791
  661   2HG2  THR  81          2HG2      THR  81  -5.700  -7.510   0.350
  662   3HG2  THR  81          3HG2      THR  81  -6.925  -8.542   1.092
  663    H    ALA  82           H        ALA  82  -4.965  -5.346   0.428
  664    HA   ALA  82           HA       ALA  82  -3.846  -4.971  -2.269
  665   1HB   ALA  82          1HB       ALA  82  -3.786  -2.979  -0.898
  666   2HB   ALA  82          2HB       ALA  82  -2.167  -3.605  -1.219
  667   3HB   ALA  82          3HB       ALA  82  -2.919  -3.865   0.353
  668    H    VAL  83           H        VAL  83  -2.298  -6.360  -2.867
  669    HA   VAL  83           HA       VAL  83  -0.824  -7.857  -0.832
  670    HB   VAL  83           HB       VAL  83  -1.388  -8.652  -3.720
  671   1HG1  VAL  83          1HG1      VAL  83  -0.511 -10.838  -3.105
  672   2HG1  VAL  83          2HG1      VAL  83  -0.214 -10.261  -1.468
  673   3HG1  VAL  83          3HG1      VAL  83   0.686  -9.573  -2.815
  674   1HG2  VAL  83          1HG2      VAL  83  -2.699  -9.717  -1.222
  675   2HG2  VAL  83          2HG2      VAL  83  -2.923 -10.353  -2.853
  676   3HG2  VAL  83          3HG2      VAL  83  -3.470  -8.724  -2.459
  677    H    VAL  84           H        VAL  84   1.119  -6.796  -0.691
  678    HA   VAL  84           HA       VAL  84   2.266  -5.737  -3.170
  679    HB   VAL  84           HB       VAL  84   3.619  -4.215  -1.826
  680   1HG1  VAL  84          1HG1      VAL  84   1.918  -2.809  -0.815
  681   2HG1  VAL  84          2HG1      VAL  84   0.765  -4.137  -0.950
  682   3HG1  VAL  84          3HG1      VAL  84   1.457  -3.420  -2.404
  683   1HG2  VAL  84          1HG2      VAL  84   4.042  -5.599   0.157
  684   2HG2  VAL  84          2HG2      VAL  84   2.353  -5.435   0.635
  685   3HG2  VAL  84          3HG2      VAL  84   3.405  -4.020   0.617
  686    H    GLU  85           H        GLU  85   4.166  -6.850  -3.921
  687    HA   GLU  85           HA       GLU  85   5.632  -8.396  -1.907
  688   1HB   GLU  85          1HB       GLU  85   4.289 -10.023  -3.192
  689   2HB   GLU  85          2HB       GLU  85   5.017  -9.438  -4.690
  690   1HG   GLU  85          1HG       GLU  85   7.255 -10.071  -3.772
  691   2HG   GLU  85          2HG       GLU  85   6.415 -10.777  -2.397
  692    H    LEU  86           H        LEU  86   7.603  -7.738  -1.799
  693    HA   LEU  86           HA       LEU  86   8.821  -6.394  -4.092
  694   1HB   LEU  86          1HB       LEU  86   8.701  -5.334  -1.810
  695   2HB   LEU  86          2HB       LEU  86   9.763  -6.597  -1.235
  696    HG   LEU  86           HG       LEU  86  11.408  -5.769  -2.992
  697   1HD1  LEU  86          1HD1      LEU  86  11.209  -3.437  -3.646
  698   2HD1  LEU  86          2HD1      LEU  86   9.584  -3.394  -2.965
  699   3HD1  LEU  86          3HD1      LEU  86   9.946  -4.454  -4.329
  700   1HD2  LEU  86          1HD2      LEU  86  12.213  -3.969  -1.503
  701   2HD2  LEU  86          2HD2      LEU  86  11.754  -5.425  -0.620
  702   3HD2  LEU  86          3HD2      LEU  86  10.676  -4.031  -0.642
  703    HA   PRO  87           HA       PRO  87  11.360 -10.138  -4.452
  704   1HB   PRO  87          1HB       PRO  87  12.827  -9.438  -6.570
  705   2HB   PRO  87          2HB       PRO  87  11.094  -9.755  -6.741
  706   1HG   PRO  87          1HG       PRO  87  12.546  -7.154  -6.547
  707   2HG   PRO  87          2HG       PRO  87  11.218  -7.615  -7.626
  708   1HD   PRO  87          1HD       PRO  87  10.898  -6.171  -5.302
  709   2HD   PRO  87          2HD       PRO  87   9.623  -7.157  -6.045
  710    H    VAL  88           H        VAL  88  12.296  -7.163  -3.473
  711    HA   VAL  88           HA       VAL  88  15.155  -7.736  -3.200
  712    HB   VAL  88           HB       VAL  88  13.686  -5.258  -2.267
  713   1HG1  VAL  88          1HG1      VAL  88  16.588  -5.675  -2.958
  714   2HG1  VAL  88          2HG1      VAL  88  15.907  -5.529  -1.338
  715   3HG1  VAL  88          3HG1      VAL  88  15.860  -4.154  -2.439
  716   1HG2  VAL  88          1HG2      VAL  88  14.346  -4.139  -4.359
  717   2HG2  VAL  88          2HG2      VAL  88  13.239  -5.482  -4.645
  718   3HG2  VAL  88          3HG2      VAL  88  14.961  -5.675  -4.970
  719    H    ASP  89           H        ASP  89  16.034  -7.516  -0.973
  720    HA   ASP  89           HA       ASP  89  14.575  -9.110   0.835
  721   1HB   ASP  89          1HB       ASP  89  17.015  -9.125   0.729
  722   2HB   ASP  89          2HB       ASP  89  17.076  -7.458   1.270
  723    HA   PRO  90           HA       PRO  90  11.983  -6.319   3.202
  724   1HB   PRO  90          1HB       PRO  90  12.711  -7.361   5.752
  725   2HB   PRO  90          2HB       PRO  90  11.275  -7.728   4.797
  726   1HG   PRO  90          1HG       PRO  90  13.755  -9.266   5.114
  727   2HG   PRO  90          2HG       PRO  90  12.149  -9.802   4.625
  728   1HD   PRO  90          1HD       PRO  90  14.247  -9.618   2.914
  729   2HD   PRO  90          2HD       PRO  90  12.559  -9.433   2.408
  730    H    GLU  91           H        GLU  91  15.412  -6.410   3.687
  731    HA   GLU  91           HA       GLU  91  15.788  -4.495   5.675
  732   1HB   GLU  91          1HB       GLU  91  17.952  -3.986   4.579
  733   2HB   GLU  91          2HB       GLU  91  17.685  -5.711   4.783
  734   1HG   GLU  91          1HG       GLU  91  17.194  -5.993   2.499
  735   2HG   GLU  91          2HG       GLU  91  17.112  -4.259   2.219
  736    H    GLU  92           H        GLU  92  14.619  -4.136   2.457
  737    HA   GLU  92           HA       GLU  92  15.105  -1.407   2.090
  738   1HB   GLU  92          1HB       GLU  92  12.867  -3.122   1.052
  739   2HB   GLU  92          2HB       GLU  92  13.031  -1.424   0.628
  740   1HG   GLU  92          1HG       GLU  92  15.013  -3.613   0.077
  741   2HG   GLU  92          2HG       GLU  92  13.976  -2.803  -1.097
  742    H    ILE  93           H        ILE  93  12.807  -2.993   4.137
  743    HA   ILE  93           HA       ILE  93  11.157  -0.718   4.499
  744    HB   ILE  93           HB       ILE  93  11.463  -3.274   6.069
  745   1HG1  ILE  93          1HG1      ILE  93  10.247  -3.386   3.971
  746   2HG1  ILE  93          2HG1      ILE  93   9.158  -3.666   5.325
  747   1HG2  ILE  93          1HG2      ILE  93   9.594  -2.629   7.528
  748   2HG2  ILE  93          2HG2      ILE  93   9.606  -1.013   6.822
  749   3HG2  ILE  93          3HG2      ILE  93  10.991  -1.574   7.756
  750   1HD1  ILE  93          1HD1      ILE  93   8.051  -2.262   3.711
  751   2HD1  ILE  93          2HD1      ILE  93   9.397  -1.143   3.683
  752   3HD1  ILE  93          3HD1      ILE  93   8.411  -1.295   5.139
  753    H    GLU  94           H        GLU  94  14.108  -1.796   5.987
  754    HA   GLU  94           HA       GLU  94  14.134  -0.047   8.217
  755   1HB   GLU  94          1HB       GLU  94  16.519  -0.917   6.570
  756   2HB   GLU  94          2HB       GLU  94  16.519  -0.447   8.263
  757   1HG   GLU  94          1HG       GLU  94  15.230  -2.903   7.109
  758   2HG   GLU  94          2HG       GLU  94  16.752  -2.857   7.992
  759    H    ARG  95           H        ARG  95  15.217   0.177   4.949
  760    HA   ARG  95           HA       ARG  95  16.287   2.781   4.936
  761   1HB   ARG  95          1HB       ARG  95  16.699   1.065   3.224
  762   2HB   ARG  95          2HB       ARG  95  15.013   1.129   2.758
  763   1HG   ARG  95          1HG       ARG  95  15.344   3.477   2.059
  764   2HG   ARG  95          2HG       ARG  95  17.066   3.298   2.420
  765   1HD   ARG  95          1HD       ARG  95  17.115   1.357   0.878
  766   2HD   ARG  95          2HD       ARG  95  15.448   1.717   0.450
  767    HE   ARG  95           HE       ARG  95  17.167   3.961   0.124
  768   1HH1  ARG  95          1HH1      ARG  95  16.124   0.948  -1.468
  769   2HH1  ARG  95          2HH1      ARG  95  16.499   1.508  -3.035
  770   1HH2  ARG  95          1HH2      ARG  95  17.682   4.697  -2.062
  771   2HH2  ARG  95          2HH2      ARG  95  17.383   3.655  -3.376
  772    H    ILE  96           H        ILE  96  13.161   1.453   4.032
  773    HA   ILE  96           HA       ILE  96  11.993   3.884   3.257
  774    HB   ILE  96           HB       ILE  96  11.095   1.142   3.736
  775   1HG1  ILE  96          1HG1      ILE  96  10.927   2.925   1.315
  776   2HG1  ILE  96          2HG1      ILE  96  12.105   1.656   1.626
  777   1HG2  ILE  96          1HG2      ILE  96   9.174   2.264   4.661
  778   2HG2  ILE  96          2HG2      ILE  96   8.707   1.702   3.054
  779   3HG2  ILE  96          3HG2      ILE  96   9.119   3.399   3.320
  780   1HD1  ILE  96          1HD1      ILE  96  10.332  -0.022   1.484
  781   2HD1  ILE  96          2HD1      ILE  96  10.420   0.946   0.011
  782   3HD1  ILE  96          3HD1      ILE  96   9.149   1.253   1.195
  783    H    LEU  97           H        LEU  97  12.289   2.372   6.383
  784    HA   LEU  97           HA       LEU  97  10.206   3.773   7.629
  785   1HB   LEU  97          1HB       LEU  97  11.404   1.859   8.646
  786   2HB   LEU  97          2HB       LEU  97  12.833   2.855   8.809
  787    HG   LEU  97           HG       LEU  97  11.582   4.335  10.362
  788   1HD1  LEU  97          1HD1      LEU  97   9.436   2.232  10.144
  789   2HD1  LEU  97          2HD1      LEU  97   9.320   3.911   9.611
  790   3HD1  LEU  97          3HD1      LEU  97   9.478   3.541  11.324
  791   1HD2  LEU  97          1HD2      LEU  97  13.023   2.575  11.230
  792   2HD2  LEU  97          2HD2      LEU  97  11.695   1.420  11.128
  793   3HD2  LEU  97          3HD2      LEU  97  11.601   2.768  12.257
  794    H    GLU  98           H        GLU  98  13.547   4.599   6.977
  795    HA   GLU  98           HA       GLU  98  13.333   7.165   8.331
  796   1HB   GLU  98          1HB       GLU  98  15.417   5.707   8.237
  797   2HB   GLU  98          2HB       GLU  98  15.532   6.162   6.552
  798   1HG   GLU  98          1HG       GLU  98  17.009   7.512   7.961
  799   2HG   GLU  98          2HG       GLU  98  15.799   8.488   7.129
  800    H    VAL  99           H        VAL  99  13.555   5.885   5.105
  801    HA   VAL  99           HA       VAL  99  13.589   8.428   3.765
  802    HB   VAL  99           HB       VAL  99  13.460   5.554   2.783
  803   1HG1  VAL  99          1HG1      VAL  99  14.173   6.401   0.563
  804   2HG1  VAL  99          2HG1      VAL  99  14.041   8.058   1.153
  805   3HG1  VAL  99          3HG1      VAL  99  12.596   7.059   1.006
  806   1HG2  VAL  99          1HG2      VAL  99  15.745   7.503   2.944
  807   2HG2  VAL  99          2HG2      VAL  99  15.827   5.894   2.223
  808   3HG2  VAL  99          3HG2      VAL  99  15.495   6.073   3.945
  809    H    ALA 100           H        ALA 100  11.131   6.931   5.255
  810    HA   ALA 100           HA       ALA 100   9.013   6.484   3.598
  811   1HB   ALA 100          1HB       ALA 100   8.799   7.780   6.280
  812   2HB   ALA 100          2HB       ALA 100   9.052   6.053   5.966
  813   3HB   ALA 100          3HB       ALA 100   7.560   6.836   5.429
  814    H    GLU 101           H        GLU 101   9.820   9.686   4.886
  815    HA   GLU 101           HA       GLU 101   7.594  10.750   3.377
  816   1HB   GLU 101          1HB       GLU 101   9.382  12.162   5.362
  817   2HB   GLU 101          2HB       GLU 101   8.027  12.899   4.525
  818   1HG   GLU 101          1HG       GLU 101   6.526  11.225   5.608
  819   2HG   GLU 101          2HG       GLU 101   7.911  10.648   6.527
  820    HA   PRO 102           HA       PRO 102  10.869  12.855   1.031
  821   1HB   PRO 102          1HB       PRO 102  13.499  12.432   1.306
  822   2HB   PRO 102          2HB       PRO 102  12.589  13.556   2.345
  823   1HG   PRO 102          1HG       PRO 102  13.549  10.791   2.935
  824   2HG   PRO 102          2HG       PRO 102  13.487  12.208   3.999
  825   1HD   PRO 102          1HD       PRO 102  11.602  10.160   3.924
  826   2HD   PRO 102          2HD       PRO 102  11.347  11.772   4.617
  Start of MODEL   16
    1    H    HIS   1           H        HIS   1   4.834   8.724 -10.974
    2    HA   HIS   1           HA       HIS   1   1.916   8.577 -11.353
    3   1HB   HIS   1          1HB       HIS   1   3.875   6.565 -10.163
    4   2HB   HIS   1          2HB       HIS   1   2.155   6.333 -10.407
    5    HD1  HIS   1           HD1      HIS   1   1.486   5.210 -12.615
    6    HD2  HIS   1           HD2      HIS   1   5.400   6.621 -12.614
    7    HE1  HIS   1           HE1      HIS   1   2.550   4.319 -14.701
    8    H    MET   2           H        MET   2   0.887   9.482  -9.595
    9    HA   MET   2           HA       MET   2   2.116   9.271  -6.992
   10   1HB   MET   2          1HB       MET   2   1.359  12.016  -8.068
   11   2HB   MET   2          2HB       MET   2   1.842  11.645  -6.435
   12   1HG   MET   2          1HG       MET   2   3.702  12.691  -7.386
   13   2HG   MET   2          2HG       MET   2   4.092  10.974  -7.407
   14   1HE   MET   2          1HE       MET   2   2.882  14.051  -9.544
   15   2HE   MET   2          2HE       MET   2   1.641  12.856  -9.935
   16   3HE   MET   2          3HE       MET   2   2.795  13.364 -11.162
   17    H    THR   3           H        THR   3   0.539   8.960  -5.504
   18    HA   THR   3           HA       THR   3  -2.151   9.925  -6.137
   19    HB   THR   3           HB       THR   3  -1.449   7.273  -4.830
   20    HG1  THR   3           HG1      THR   3  -1.495   7.859  -7.292
   21   1HG2  THR   3          1HG2      THR   3  -4.153   8.472  -5.488
   22   2HG2  THR   3          2HG2      THR   3  -3.486   8.273  -3.866
   23   3HG2  THR   3          3HG2      THR   3  -3.873   6.854  -4.839
   24    H    PHE   4           H        PHE   4  -2.636  11.456  -4.736
   25    HA   PHE   4           HA       PHE   4  -1.877  11.058  -1.922
   26   1HB   PHE   4          1HB       PHE   4  -2.081  13.684  -3.396
   27   2HB   PHE   4          2HB       PHE   4  -1.717  13.496  -1.677
   28    HD1  PHE   4           HD1      PHE   4   0.371  12.223  -1.067
   29    HD2  PHE   4           HD2      PHE   4  -0.400  13.661  -4.985
   30    HE1  PHE   4           HE1      PHE   4   2.756  12.011  -1.615
   31    HE2  PHE   4           HE2      PHE   4   1.982  13.454  -5.532
   32    HZ   PHE   4           HZ       PHE   4   3.557  12.593  -3.831
   33    H    CYS   5           H        CYS   5  -4.390  11.196  -4.051
   34    HA   CYS   5           HA       CYS   5  -6.271  12.685  -2.503
   35   1HB   CYS   5          1HB       CYS   5  -6.752  10.719  -4.743
   36   2HB   CYS   5          2HB       CYS   5  -7.872  11.942  -4.155
   37    HG   CYS   5           HG       CYS   5  -6.361  14.096  -5.033
   38    H    LEU   6           H        LEU   6  -6.292  11.680  -0.409
   39    HA   LEU   6           HA       LEU   6  -6.726   8.905  -0.314
   40   1HB   LEU   6          1HB       LEU   6  -6.763   9.169   2.182
   41   2HB   LEU   6          2HB       LEU   6  -5.275   9.549   1.383
   42    HG   LEU   6           HG       LEU   6  -5.509  10.924   3.193
   43   1HD1  LEU   6          1HD1      LEU   6  -5.498  13.200   2.433
   44   2HD1  LEU   6          2HD1      LEU   6  -6.206  12.697   0.912
   45   3HD1  LEU   6          3HD1      LEU   6  -4.595  12.122   1.364
   46   1HD2  LEU   6          1HD2      LEU   6  -7.400  12.461   3.665
   47   2HD2  LEU   6          2HD2      LEU   6  -7.821  10.752   3.758
   48   3HD2  LEU   6          3HD2      LEU   6  -8.291  11.696   2.349
   49    H    GLU   7           H        GLU   7  -8.768  11.676   0.545
   50    HA   GLU   7           HA       GLU   7 -10.732   9.828   1.314
   51   1HB   GLU   7          1HB       GLU   7 -10.567  11.938   2.465
   52   2HB   GLU   7          2HB       GLU   7 -10.953  12.833   1.028
   53   1HG   GLU   7          1HG       GLU   7 -13.059  10.959   1.532
   54   2HG   GLU   7          2HG       GLU   7 -12.691  11.808   3.029
   55    H    THR   8           H        THR   8  -9.737  10.821  -1.623
   56    HA   THR   8           HA       THR   8 -12.171  10.966  -3.058
   57    HB   THR   8           HB       THR   8  -9.393  10.236  -4.035
   58    HG1  THR   8           HG1      THR   8  -9.957  12.647  -4.772
   59   1HG2  THR   8          1HG2      THR   8 -11.170   9.629  -5.638
   60   2HG2  THR   8          2HG2      THR   8 -10.197  10.966  -6.243
   61   3HG2  THR   8          3HG2      THR   8 -11.796  11.275  -5.565
   62    H    TYR   9           H        TYR   9 -10.193   8.370  -1.794
   63    HA   TYR   9           HA       TYR   9 -11.330   6.479  -3.547
   64   1HB   TYR   9          1HB       TYR   9  -9.411   6.262  -1.274
   65   2HB   TYR   9          2HB       TYR   9 -10.167   4.814  -1.948
   66    HD1  TYR   9           HD1      TYR   9  -9.931   4.354  -4.403
   67    HD2  TYR   9           HD2      TYR   9  -7.623   7.320  -2.427
   68    HE1  TYR   9           HE1      TYR   9  -8.368   4.374  -6.292
   69    HE2  TYR   9           HE2      TYR   9  -6.047   7.352  -4.315
   70    HH   TYR   9           HH       TYR   9  -5.337   5.819  -6.119
   71    H    LEU  10           H        LEU  10 -12.219   7.816  -0.560
   72    HA   LEU  10           HA       LEU  10 -14.004   5.760   0.232
   73   1HB   LEU  10          1HB       LEU  10 -13.185   7.772   1.638
   74   2HB   LEU  10          2HB       LEU  10 -14.334   8.738   0.750
   75    HG   LEU  10           HG       LEU  10 -15.036   6.460   2.634
   76   1HD1  LEU  10          1HD1      LEU  10 -15.272   9.435   2.982
   77   2HD1  LEU  10          2HD1      LEU  10 -14.152   8.359   3.819
   78   3HD1  LEU  10          3HD1      LEU  10 -15.888   8.215   4.096
   79   1HD2  LEU  10          1HD2      LEU  10 -16.863   8.460   1.291
   80   2HD2  LEU  10          2HD2      LEU  10 -17.349   7.243   2.472
   81   3HD2  LEU  10          3HD2      LEU  10 -16.751   6.747   0.888
   82    H    GLN  11           H        GLN  11 -14.098   8.594  -1.792
   83    HA   GLN  11           HA       GLN  11 -16.867   8.622  -2.382
   84   1HB   GLN  11          1HB       GLN  11 -14.548   9.790  -3.929
   85   2HB   GLN  11          2HB       GLN  11 -16.239  10.182  -4.185
   86   1HG   GLN  11          1HG       GLN  11 -14.606  10.769  -1.716
   87   2HG   GLN  11          2HG       GLN  11 -15.130  11.935  -2.927
   88   1HE2  GLN  11          1HE2      GLN  11 -15.622  11.898  -0.085
   89   2HE2  GLN  11          2HE2      GLN  11 -17.335  11.870   0.129
   90    H    GLN  12           H        GLN  12 -14.164   6.866  -3.541
   91    HA   GLN  12           HA       GLN  12 -15.639   6.019  -5.872
   92   1HB   GLN  12          1HB       GLN  12 -12.745   5.551  -5.176
   93   2HB   GLN  12          2HB       GLN  12 -13.522   4.982  -6.647
   94   1HG   GLN  12          1HG       GLN  12 -13.168   7.852  -5.810
   95   2HG   GLN  12          2HG       GLN  12 -12.262   7.011  -7.065
   96   1HE2  GLN  12          1HE2      GLN  12 -14.645   5.616  -8.095
   97   2HE2  GLN  12          2HE2      GLN  12 -15.538   6.811  -8.941
   98    H    SER  13           H        SER  13 -15.580   5.100  -2.815
   99    HA   SER  13           HA       SER  13 -16.214   3.303  -1.685
  100   1HB   SER  13          1HB       SER  13 -16.942   2.191  -4.402
  101   2HB   SER  13          2HB       SER  13 -17.525   1.584  -2.850
  102    HG   SER  13           HG       SER  13 -18.945   3.073  -2.837
  103    H    GLY  14           H        GLY  14 -13.462   3.485  -2.544
  104   1HA   GLY  14          1HA       GLY  14 -12.712   0.690  -2.248
  105   2HA   GLY  14          2HA       GLY  14 -12.083   1.573  -3.640
  106    H    GLU  15           H        GLU  15 -12.461   1.902  -0.178
  107    HA   GLU  15           HA       GLU  15 -10.460   3.858   0.121
  108   1HB   GLU  15          1HB       GLU  15 -11.729   1.998   2.119
  109   2HB   GLU  15          2HB       GLU  15 -10.742   3.396   2.529
  110   1HG   GLU  15          1HG       GLU  15 -12.334   4.901   1.714
  111   2HG   GLU  15          2HG       GLU  15 -13.193   3.640   0.830
  112    H    TYR  16           H        TYR  16  -8.388   3.679   0.873
  113    HA   TYR  16           HA       TYR  16  -7.169   1.054   1.345
  114   1HB   TYR  16          1HB       TYR  16  -7.058   1.653  -1.125
  115   2HB   TYR  16          2HB       TYR  16  -6.174   3.095  -0.684
  116    HD1  TYR  16           HD1      TYR  16  -5.912  -0.606  -0.080
  117    HD2  TYR  16           HD2      TYR  16  -3.906   3.007  -1.086
  118    HE1  TYR  16           HE1      TYR  16  -3.828  -1.864  -0.440
  119    HE2  TYR  16           HE2      TYR  16  -1.812   1.765  -1.435
  120    HH   TYR  16           HH       TYR  16  -0.749  -0.278  -0.990
  121    H    GLU  17           H        GLU  17  -7.989   3.355   2.885
  122    HA   GLU  17           HA       GLU  17  -5.527   3.958   4.205
  123   1HB   GLU  17          1HB       GLU  17  -6.043   6.357   4.322
  124   2HB   GLU  17          2HB       GLU  17  -5.347   5.784   2.818
  125   1HG   GLU  17          1HG       GLU  17  -8.302   6.135   3.181
  126   2HG   GLU  17          2HG       GLU  17  -7.309   7.541   2.852
  127    H    ILE  18           H        ILE  18  -5.901   5.445   6.073
  128    HA   ILE  18           HA       ILE  18  -8.385   4.710   6.964
  129    HB   ILE  18           HB       ILE  18  -6.559   3.918   8.367
  130   1HG1  ILE  18          1HG1      ILE  18  -8.413   5.778   9.882
  131   2HG1  ILE  18          2HG1      ILE  18  -8.718   4.101   9.472
  132   1HG2  ILE  18          1HG2      ILE  18  -4.942   5.610   8.237
  133   2HG2  ILE  18          2HG2      ILE  18  -5.376   5.477   9.941
  134   3HG2  ILE  18          3HG2      ILE  18  -6.013   6.804   8.966
  135   1HD1  ILE  18          1HD1      ILE  18  -8.154   4.364  11.822
  136   2HD1  ILE  18          2HD1      ILE  18  -6.614   5.098  11.379
  137   3HD1  ILE  18          3HD1      ILE  18  -6.923   3.408  11.000
  138    H    HIS  19           H        HIS  19  -7.552   7.053   5.402
  139    HA   HIS  19           HA       HIS  19  -8.031   9.208   4.971
  140   1HB   HIS  19          1HB       HIS  19 -10.010   8.849   7.226
  141   2HB   HIS  19          2HB       HIS  19  -9.883  10.335   6.286
  142    HD1  HIS  19           HD1      HIS  19 -11.216   6.868   6.117
  143    HD2  HIS  19           HD2      HIS  19 -10.580  10.096   3.594
  144    HE1  HIS  19           HE1      HIS  19 -12.508   6.382   4.012
  145    H    MET  20           H        MET  20  -5.914   9.310   5.589
  146    HA   MET  20           HA       MET  20  -5.458  11.427   7.514
  147   1HB   MET  20          1HB       MET  20  -5.020   8.723   8.077
  148   2HB   MET  20          2HB       MET  20  -3.442   9.319   7.597
  149   1HG   MET  20          1HG       MET  20  -5.168  10.544   9.693
  150   2HG   MET  20          2HG       MET  20  -3.929   9.328  10.012
  151   1HE   MET  20          1HE       MET  20  -1.543  10.092   8.123
  152   2HE   MET  20          2HE       MET  20  -1.340   9.744   9.837
  153   3HE   MET  20          3HE       MET  20  -0.609  11.187   9.137
  154    H    LYS  21           H        LYS  21  -2.643  11.490   7.072
  155    HA   LYS  21           HA       LYS  21  -2.642  12.423   4.351
  156   1HB   LYS  21          1HB       LYS  21  -1.473  13.647   6.127
  157   2HB   LYS  21          2HB       LYS  21  -0.443  12.263   6.412
  158   1HG   LYS  21          1HG       LYS  21   0.566  12.531   4.219
  159   2HG   LYS  21          2HG       LYS  21  -0.503  13.899   3.884
  160   1HD   LYS  21          1HD       LYS  21   0.440  15.161   5.679
  161   2HD   LYS  21          2HD       LYS  21   1.378  13.773   6.225
  162   1HE   LYS  21          1HE       LYS  21   2.845  15.257   5.064
  163   2HE   LYS  21          2HE       LYS  21   2.592  13.843   4.058
  164   1HZ   LYS  21          1HZ       LYS  21   0.941  15.158   2.794
  165   2HZ   LYS  21          2HZ       LYS  21   2.521  15.723   2.735
  166   3HZ   LYS  21          3HZ       LYS  21   1.386  16.527   3.707
  167    H    ARG  22           H        ARG  22  -2.379  11.105   2.668
  168    HA   ARG  22           HA       ARG  22  -0.754   8.680   3.013
  169   1HB   ARG  22          1HB       ARG  22  -2.133   7.629   1.314
  170   2HB   ARG  22          2HB       ARG  22  -3.224   8.554   2.299
  171   1HG   ARG  22          1HG       ARG  22  -3.491  10.194   0.649
  172   2HG   ARG  22          2HG       ARG  22  -2.088   9.613  -0.243
  173   1HD   ARG  22          1HD       ARG  22  -4.636   8.048   0.180
  174   2HD   ARG  22          2HD       ARG  22  -4.171   8.894  -1.299
  175    HE   ARG  22           HE       ARG  22  -2.070   7.272  -0.910
  176   1HH1  ARG  22          1HH1      ARG  22  -5.524   6.371  -0.614
  177   2HH1  ARG  22          2HH1      ARG  22  -5.304   4.894  -1.365
  178   1HH2  ARG  22          1HH2      ARG  22  -1.792   5.325  -1.811
  179   2HH2  ARG  22          2HH2      ARG  22  -3.078   4.240  -2.162
  180    H    ALA  23           H        ALA  23   0.588   8.097   1.069
  181    HA   ALA  23           HA       ALA  23   1.047  10.189  -0.885
  182   1HB   ALA  23          1HB       ALA  23   3.226   9.649   1.120
  183   2HB   ALA  23          2HB       ALA  23   2.313  11.150   0.952
  184   3HB   ALA  23          3HB       ALA  23   3.407  10.624  -0.329
  185    H    GLY  24           H        GLY  24   0.719   8.624  -2.434
  186   1HA   GLY  24          1HA       GLY  24   2.570   6.357  -2.433
  187   2HA   GLY  24          2HA       GLY  24   0.996   6.380  -3.207
  188    H    PHE  25           H        PHE  25   4.267   7.244  -3.348
  189    HA   PHE  25           HA       PHE  25   4.122   8.584  -5.885
  190   1HB   PHE  25          1HB       PHE  25   6.500   7.424  -4.418
  191   2HB   PHE  25          2HB       PHE  25   6.574   8.525  -5.784
  192    HD1  PHE  25           HD1      PHE  25   6.035  10.893  -5.492
  193    HD2  PHE  25           HD2      PHE  25   5.975   8.190  -2.210
  194    HE1  PHE  25           HE1      PHE  25   6.058  12.794  -3.918
  195    HE2  PHE  25           HE2      PHE  25   5.994  10.074  -0.644
  196    HZ   PHE  25           HZ       PHE  25   6.036  12.384  -1.498
  197    H    ARG  26           H        ARG  26   5.779   5.647  -4.871
  198    HA   ARG  26           HA       ARG  26   5.880   4.719  -7.604
  199   1HB   ARG  26          1HB       ARG  26   6.867   3.619  -5.012
  200   2HB   ARG  26          2HB       ARG  26   6.980   2.730  -6.517
  201   1HG   ARG  26          1HG       ARG  26   8.099   5.476  -6.192
  202   2HG   ARG  26          2HG       ARG  26   9.012   4.005  -5.813
  203   1HD   ARG  26          1HD       ARG  26   8.718   3.195  -8.007
  204   2HD   ARG  26          2HD       ARG  26   7.669   4.541  -8.449
  205    HE   ARG  26           HE       ARG  26   9.935   5.725  -7.672
  206   1HH1  ARG  26          1HH1      ARG  26   9.294   3.079  -9.913
  207   2HH1  ARG  26          2HH1      ARG  26  10.546   3.491 -10.994
  208   1HH2  ARG  26          1HH2      ARG  26  11.641   6.301  -9.120
  209   2HH2  ARG  26          2HH2      ARG  26  11.932   5.371 -10.513
  210    H    GLU  27           H        GLU  27   4.117   3.999  -4.725
  211    HA   GLU  27           HA       GLU  27   3.137   1.563  -5.849
  212   1HB   GLU  27          1HB       GLU  27   3.623   2.052  -3.388
  213   2HB   GLU  27          2HB       GLU  27   2.046   2.838  -3.417
  214   1HG   GLU  27          1HG       GLU  27   0.964   0.827  -4.002
  215   2HG   GLU  27          2HG       GLU  27   2.510   0.002  -4.220
  216    H    CYS  28           H        CYS  28   2.301   4.796  -6.268
  217    HA   CYS  28           HA       CYS  28  -0.401   4.965  -6.500
  218   1HB   CYS  28          1HB       CYS  28   0.988   6.825  -7.094
  219   2HB   CYS  28          2HB       CYS  28   1.788   5.912  -8.358
  220    HG   CYS  28           HG       CYS  28  -1.374   5.953  -9.102
  221    H    ALA  29           H        ALA  29   1.856   3.504  -8.795
  222    HA   ALA  29           HA       ALA  29  -0.143   2.729 -10.681
  223   1HB   ALA  29          1HB       ALA  29   2.193   3.131 -11.327
  224   2HB   ALA  29          2HB       ALA  29   1.638   1.530 -11.811
  225   3HB   ALA  29          3HB       ALA  29   2.674   1.714 -10.396
  226    H    ALA  30           H        ALA  30   1.495   1.073  -8.109
  227    HA   ALA  30           HA       ALA  30   0.637  -1.518  -8.535
  228   1HB   ALA  30          1HB       ALA  30   1.187  -1.892  -6.251
  229   2HB   ALA  30          2HB       ALA  30   1.105  -0.163  -5.920
  230   3HB   ALA  30          3HB       ALA  30   2.371  -0.800  -6.968
  231    H    MET  31           H        MET  31  -0.804   1.041  -6.595
  232    HA   MET  31           HA       MET  31  -2.828  -0.607  -5.505
  233   1HB   MET  31          1HB       MET  31  -3.936   1.338  -4.694
  234   2HB   MET  31          2HB       MET  31  -2.210   1.524  -4.448
  235   1HG   MET  31          1HG       MET  31  -2.090   3.037  -6.344
  236   2HG   MET  31          2HG       MET  31  -3.806   2.814  -6.658
  237   1HE   MET  31          1HE       MET  31  -4.821   2.668  -3.493
  238   2HE   MET  31          2HE       MET  31  -5.691   3.405  -4.836
  239   3HE   MET  31          3HE       MET  31  -5.381   4.335  -3.371
  240    H    ILE  32           H        ILE  32  -2.748   1.219  -8.435
  241    HA   ILE  32           HA       ILE  32  -5.467   1.123  -9.083
  242    HB   ILE  32           HB       ILE  32  -3.030   1.042 -10.865
  243   1HG1  ILE  32          1HG1      ILE  32  -4.751   3.379 -10.001
  244   2HG1  ILE  32          2HG1      ILE  32  -3.162   2.993  -9.352
  245   1HG2  ILE  32          1HG2      ILE  32  -5.052   0.296 -12.069
  246   2HG2  ILE  32          2HG2      ILE  32  -4.494   1.856 -12.658
  247   3HG2  ILE  32          3HG2      ILE  32  -5.890   1.773 -11.578
  248   1HD1  ILE  32          1HD1      ILE  32  -2.188   3.374 -11.564
  249   2HD1  ILE  32          2HD1      ILE  32  -3.031   4.798 -10.954
  250   3HD1  ILE  32          3HD1      ILE  32  -3.788   3.783 -12.182
  251    H    GLU  33           H        GLU  33  -2.839  -1.153  -9.603
  252    HA   GLU  33           HA       GLU  33  -4.456  -2.949 -11.115
  253   1HB   GLU  33          1HB       GLU  33  -1.712  -3.287  -9.929
  254   2HB   GLU  33          2HB       GLU  33  -2.460  -4.359 -11.114
  255   1HG   GLU  33          1HG       GLU  33  -2.536  -2.510 -12.713
  256   2HG   GLU  33          2HG       GLU  33  -1.760  -1.468 -11.525
  257    H    LYS  34           H        LYS  34  -3.364  -2.656  -7.793
  258    HA   LYS  34           HA       LYS  34  -3.960  -5.191  -6.811
  259   1HB   LYS  34          1HB       LYS  34  -3.898  -2.496  -5.516
  260   2HB   LYS  34          2HB       LYS  34  -4.344  -3.922  -4.597
  261   1HG   LYS  34          1HG       LYS  34  -2.277  -4.852  -4.762
  262   2HG   LYS  34          2HG       LYS  34  -1.758  -3.859  -6.131
  263   1HD   LYS  34          1HD       LYS  34  -1.797  -1.895  -4.630
  264   2HD   LYS  34          2HD       LYS  34  -2.275  -2.964  -3.298
  265   1HE   LYS  34          1HE       LYS  34  -0.132  -4.130  -3.566
  266   2HE   LYS  34          2HE       LYS  34   0.303  -3.003  -4.850
  267   1HZ   LYS  34          1HZ       LYS  34   1.190  -2.358  -2.598
  268   2HZ   LYS  34          2HZ       LYS  34  -0.397  -2.074  -2.094
  269   3HZ   LYS  34          3HZ       LYS  34   0.243  -1.180  -3.275
  270    H    LYS  35           H        LYS  35  -6.053  -2.625  -7.662
  271    HA   LYS  35           HA       LYS  35  -8.327  -3.267  -6.141
  272   1HB   LYS  35          1HB       LYS  35  -8.049  -1.122  -7.254
  273   2HB   LYS  35          2HB       LYS  35  -8.073  -1.907  -8.825
  274   1HG   LYS  35          1HG       LYS  35 -10.391  -2.627  -8.381
  275   2HG   LYS  35          2HG       LYS  35 -10.346  -1.725  -6.867
  276   1HD   LYS  35          1HD       LYS  35 -10.001   0.340  -8.066
  277   2HD   LYS  35          2HD       LYS  35  -9.908  -0.535  -9.600
  278   1HE   LYS  35          1HE       LYS  35 -12.182  -1.328  -9.283
  279   2HE   LYS  35          2HE       LYS  35 -12.290  -0.438  -7.768
  280   1HZ   LYS  35          1HZ       LYS  35 -11.868   0.775 -10.450
  281   2HZ   LYS  35          2HZ       LYS  35 -12.002   1.618  -8.994
  282   3HZ   LYS  35          3HZ       LYS  35 -13.314   0.758  -9.586
  283    H    ALA  36           H        ALA  36  -6.921  -4.798  -8.909
  284    HA   ALA  36           HA       ALA  36  -9.252  -5.888 -10.044
  285   1HB   ALA  36          1HB       ALA  36  -7.742  -7.363 -11.275
  286   2HB   ALA  36          2HB       ALA  36  -6.423  -6.928 -10.189
  287   3HB   ALA  36          3HB       ALA  36  -7.125  -5.713 -11.253
  288    H    ARG  37           H        ARG  37  -6.902  -7.146  -7.741
  289    HA   ARG  37           HA       ARG  37  -8.727  -8.578  -6.197
  290   1HB   ARG  37          1HB       ARG  37  -8.508 -10.096  -8.364
  291   2HB   ARG  37          2HB       ARG  37  -6.949 -10.519  -7.680
  292   1HG   ARG  37          1HG       ARG  37  -9.652 -10.985  -6.387
  293   2HG   ARG  37          2HG       ARG  37  -8.624 -12.208  -7.118
  294   1HD   ARG  37          1HD       ARG  37  -6.926 -11.796  -5.387
  295   2HD   ARG  37          2HD       ARG  37  -7.958 -10.561  -4.671
  296    HE   ARG  37           HE       ARG  37  -9.177 -13.139  -4.935
  297   1HH1  ARG  37          1HH1      ARG  37  -7.426 -10.954  -2.705
  298   2HH1  ARG  37          2HH1      ARG  37  -7.707 -11.902  -1.347
  299   1HH2  ARG  37          1HH2      ARG  37  -9.556 -14.408  -3.117
  300   2HH2  ARG  37          2HH2      ARG  37  -8.935 -14.055  -1.576
  301    H    ARG  38           H        ARG  38  -5.453  -9.347  -7.360
  302    HA   ARG  38           HA       ARG  38  -4.335  -8.168  -5.011
  303   1HB   ARG  38          1HB       ARG  38  -3.056 -10.178  -4.291
  304   2HB   ARG  38          2HB       ARG  38  -4.780 -10.443  -4.163
  305   1HG   ARG  38          1HG       ARG  38  -4.796 -11.878  -6.042
  306   2HG   ARG  38          2HG       ARG  38  -3.116 -11.482  -6.431
  307   1HD   ARG  38          1HD       ARG  38  -2.346 -12.493  -4.392
  308   2HD   ARG  38          2HD       ARG  38  -3.995 -12.735  -3.834
  309    HE   ARG  38           HE       ARG  38  -4.178 -14.242  -5.852
  310   1HH1  ARG  38          1HH1      ARG  38  -1.013 -13.779  -4.267
  311   2HH1  ARG  38          2HH1      ARG  38  -0.523 -15.376  -4.490
  312   1HH2  ARG  38          1HH2      ARG  38  -3.484 -16.452  -6.120
  313   2HH2  ARG  38          2HH2      ARG  38  -1.950 -16.943  -5.547
  314    H    VAL  39           H        VAL  39  -2.517  -7.128  -5.656
  315    HA   VAL  39           HA       VAL  39  -1.041  -8.322  -7.860
  316    HB   VAL  39           HB       VAL  39  -2.096  -5.480  -7.860
  317   1HG1  VAL  39          1HG1      VAL  39  -0.765  -5.121  -9.943
  318   2HG1  VAL  39          2HG1      VAL  39  -0.006  -6.693  -9.695
  319   3HG1  VAL  39          3HG1      VAL  39   0.263  -5.395  -8.538
  320   1HG2  VAL  39          1HG2      VAL  39  -3.592  -7.161  -8.800
  321   2HG2  VAL  39          2HG2      VAL  39  -2.318  -7.707  -9.889
  322   3HG2  VAL  39          3HG2      VAL  39  -2.995  -6.090 -10.063
  323    H    VAL  40           H        VAL  40   1.069  -8.000  -7.845
  324    HA   VAL  40           HA       VAL  40   2.123  -6.549  -5.580
  325    HB   VAL  40           HB       VAL  40   2.736  -8.918  -5.416
  326   1HG1  VAL  40          1HG1      VAL  40   2.372  -9.654  -7.643
  327   2HG1  VAL  40          2HG1      VAL  40   4.021 -10.072  -7.172
  328   3HG1  VAL  40          3HG1      VAL  40   3.720  -8.691  -8.232
  329   1HG2  VAL  40          1HG2      VAL  40   4.524  -7.408  -4.756
  330   2HG2  VAL  40          2HG2      VAL  40   5.097  -7.329  -6.420
  331   3HG2  VAL  40          3HG2      VAL  40   5.204  -8.844  -5.529
  332    H    HIS  41           H        HIS  41   3.888  -5.131  -5.998
  333    HA   HIS  41           HA       HIS  41   4.425  -4.555  -8.802
  334   1HB   HIS  41          1HB       HIS  41   2.618  -3.086  -7.879
  335   2HB   HIS  41          2HB       HIS  41   3.733  -2.556  -6.640
  336    HD1  HIS  41           HD1      HIS  41   2.912  -2.068 -10.318
  337    HD2  HIS  41           HD2      HIS  41   5.369  -0.430  -7.382
  338    HE1  HIS  41           HE1      HIS  41   3.907  -0.003 -11.297
  339    H    ILE  42           H        ILE  42   6.553  -4.285  -9.076
  340    HA   ILE  42           HA       ILE  42   8.243  -4.474  -6.744
  341    HB   ILE  42           HB       ILE  42   8.774  -5.861  -8.754
  342   1HG1  ILE  42          1HG1      ILE  42  10.936  -3.824  -8.149
  343   2HG1  ILE  42          2HG1      ILE  42  10.577  -5.241  -7.174
  344   1HG2  ILE  42          1HG2      ILE  42   9.364  -3.239 -10.113
  345   2HG2  ILE  42          2HG2      ILE  42   8.059  -4.360 -10.508
  346   3HG2  ILE  42          3HG2      ILE  42   9.737  -4.835 -10.765
  347   1HD1  ILE  42          1HD1      ILE  42  11.213  -6.680  -9.052
  348   2HD1  ILE  42          2HD1      ILE  42  12.527  -5.605  -8.573
  349   3HD1  ILE  42          3HD1      ILE  42  11.579  -5.250 -10.015
  350    H    LYS  43           H        LYS  43   9.637  -2.933  -6.056
  351    HA   LYS  43           HA       LYS  43  10.432  -0.873  -5.574
  352   1HB   LYS  43          1HB       LYS  43   9.669  -0.156  -8.420
  353   2HB   LYS  43          2HB       LYS  43  10.500   0.928  -7.327
  354   1HG   LYS  43          1HG       LYS  43  12.398  -0.619  -7.278
  355   2HG   LYS  43          2HG       LYS  43  11.541  -1.679  -8.403
  356   1HD   LYS  43          1HD       LYS  43  11.493   0.057 -10.080
  357   2HD   LYS  43          2HD       LYS  43  12.217   1.205  -8.956
  358   1HE   LYS  43          1HE       LYS  43  14.240  -0.197  -8.874
  359   2HE   LYS  43          2HE       LYS  43  13.486  -1.301 -10.026
  360   1HZ   LYS  43          1HZ       LYS  43  13.455   0.444 -11.664
  361   2HZ   LYS  43          2HZ       LYS  43  15.014   0.219 -11.109
  362   3HZ   LYS  43          3HZ       LYS  43  14.128   1.546 -10.564
  363    HA   PRO  44           HA       PRO  44   6.121   0.646  -4.936
  364   1HB   PRO  44          1HB       PRO  44   5.750   0.027  -2.347
  365   2HB   PRO  44          2HB       PRO  44   5.501  -1.175  -3.624
  366   1HG   PRO  44          1HG       PRO  44   7.926  -0.733  -1.911
  367   2HG   PRO  44          2HG       PRO  44   7.094  -2.259  -2.243
  368   1HD   PRO  44          1HD       PRO  44   9.300  -1.536  -3.597
  369   2HD   PRO  44          2HD       PRO  44   7.975  -2.427  -4.364
  370    H    GLY  45           H        GLY  45   5.439   2.359  -3.218
  371   1HA   GLY  45          1HA       GLY  45   7.395   3.586  -1.621
  372   2HA   GLY  45          2HA       GLY  45   7.315   4.411  -3.168
  373    H    GLU  46           H        GLU  46   4.835   2.945  -1.100
  374    HA   GLU  46           HA       GLU  46   3.588   5.582  -0.907
  375   1HB   GLU  46          1HB       GLU  46   2.124   4.384  -2.211
  376   2HB   GLU  46          2HB       GLU  46   2.417   2.867  -1.408
  377   1HG   GLU  46          1HG       GLU  46   0.183   3.517  -0.916
  378   2HG   GLU  46          2HG       GLU  46   1.111   3.797   0.548
  379    H    LYS  47           H        LYS  47   2.701   6.104   1.013
  380    HA   LYS  47           HA       LYS  47   3.161   4.416   3.283
  381   1HB   LYS  47          1HB       LYS  47   4.232   7.248   3.263
  382   2HB   LYS  47          2HB       LYS  47   4.173   6.155   4.622
  383   1HG   LYS  47          1HG       LYS  47   6.105   5.332   4.108
  384   2HG   LYS  47          2HG       LYS  47   5.486   4.818   2.540
  385   1HD   LYS  47          1HD       LYS  47   6.451   7.543   3.165
  386   2HD   LYS  47          2HD       LYS  47   7.497   6.279   2.456
  387   1HE   LYS  47          1HE       LYS  47   6.850   7.500   0.583
  388   2HE   LYS  47          2HE       LYS  47   5.543   6.318   0.668
  389   1HZ   LYS  47          1HZ       LYS  47   4.175   7.946   1.803
  390   2HZ   LYS  47          2HZ       LYS  47   4.705   8.532   0.339
  391   3HZ   LYS  47          3HZ       LYS  47   5.460   9.048   1.789
  392    H    ILE  48           H        ILE  48   1.296   4.322   3.015
  393    HA   ILE  48           HA       ILE  48  -0.543   6.470   3.000
  394    HB   ILE  48           HB       ILE  48  -2.300   4.750   3.643
  395   1HG1  ILE  48          1HG1      ILE  48  -0.103   2.806   2.913
  396   2HG1  ILE  48          2HG1      ILE  48  -0.820   3.021   4.504
  397   1HG2  ILE  48          1HG2      ILE  48  -2.312   5.609   1.506
  398   2HG2  ILE  48          2HG2      ILE  48  -2.537   3.864   1.388
  399   3HG2  ILE  48          3HG2      ILE  48  -0.971   4.580   1.008
  400   1HD1  ILE  48          1HD1      ILE  48  -2.243   2.018   2.043
  401   2HD1  ILE  48          2HD1      ILE  48  -2.961   2.207   3.642
  402   3HD1  ILE  48          3HD1      ILE  48  -1.679   1.027   3.386
  403    H    LEU  49           H        LEU  49  -0.654   7.717   4.616
  404    HA   LEU  49           HA       LEU  49  -1.153   8.608   6.562
  405   1HB   LEU  49          1HB       LEU  49  -2.040   5.981   7.700
  406   2HB   LEU  49          2HB       LEU  49  -2.638   7.563   8.091
  407    HG   LEU  49           HG       LEU  49  -4.423   6.864   6.923
  408   1HD1  LEU  49          1HD1      LEU  49  -3.792   8.647   5.558
  409   2HD1  LEU  49          2HD1      LEU  49  -4.492   7.386   4.545
  410   3HD1  LEU  49          3HD1      LEU  49  -2.750   7.610   4.595
  411   1HD2  LEU  49          1HD2      LEU  49  -4.331   5.107   5.137
  412   2HD2  LEU  49          2HD2      LEU  49  -3.851   4.602   6.755
  413   3HD2  LEU  49          3HD2      LEU  49  -2.619   4.914   5.540
  414    H    GLY  50           H        GLY  50   1.314   6.961   6.150
  415   1HA   GLY  50          1HA       GLY  50   3.300   6.703   7.376
  416   2HA   GLY  50          2HA       GLY  50   2.434   7.239   8.821
  417    H    ALA  51           H        ALA  51   0.346   5.376   8.733
  418    HA   ALA  51           HA       ALA  51   1.691   2.831   9.259
  419   1HB   ALA  51          1HB       ALA  51   0.874   3.883  11.317
  420   2HB   ALA  51          2HB       ALA  51  -0.066   2.439  10.943
  421   3HB   ALA  51          3HB       ALA  51  -0.732   4.036  10.610
  422    H    ARG  52           H        ARG  52   1.070   1.319   7.971
  423    HA   ARG  52           HA       ARG  52  -0.714   1.656   5.837
  424   1HB   ARG  52          1HB       ARG  52   1.240   0.279   5.686
  425   2HB   ARG  52          2HB       ARG  52   0.676  -0.755   6.975
  426   1HG   ARG  52          1HG       ARG  52  -1.145  -1.537   5.498
  427   2HG   ARG  52          2HG       ARG  52  -0.484  -0.529   4.203
  428   1HD   ARG  52          1HD       ARG  52   0.281  -2.869   4.028
  429   2HD   ARG  52          2HD       ARG  52   1.620  -1.749   4.282
  430    HE   ARG  52           HE       ARG  52   0.715  -2.705   6.762
  431   1HH1  ARG  52          1HH1      ARG  52   2.601  -3.891   3.961
  432   2HH1  ARG  52          2HH1      ARG  52   3.435  -5.059   4.885
  433   1HH2  ARG  52          1HH2      ARG  52   1.912  -4.343   7.936
  434   2HH2  ARG  52          2HH2      ARG  52   3.051  -5.311   7.110
  435    H    ILE  53           H        ILE  53  -2.845   2.147   6.579
  436    HA   ILE  53           HA       ILE  53  -4.279  -0.152   7.685
  437    HB   ILE  53           HB       ILE  53  -4.922   2.793   8.021
  438   1HG1  ILE  53          1HG1      ILE  53  -2.956   2.239   9.386
  439   2HG1  ILE  53          2HG1      ILE  53  -4.348   2.549  10.412
  440   1HG2  ILE  53          1HG2      ILE  53  -6.208   0.367   9.266
  441   2HG2  ILE  53          2HG2      ILE  53  -6.902   1.380   8.001
  442   3HG2  ILE  53          3HG2      ILE  53  -6.644   2.038   9.614
  443   1HD1  ILE  53          1HD1      ILE  53  -4.637   0.120  10.703
  444   2HD1  ILE  53          2HD1      ILE  53  -3.057   0.682  11.248
  445   3HD1  ILE  53          3HD1      ILE  53  -3.209  -0.152   9.703
  446    H    ILE  54           H        ILE  54  -5.979  -0.791   6.438
  447    HA   ILE  54           HA       ILE  54  -6.265   0.405   3.802
  448    HB   ILE  54           HB       ILE  54  -7.818  -1.907   5.043
  449   1HG1  ILE  54          1HG1      ILE  54  -5.349  -1.996   3.286
  450   2HG1  ILE  54          2HG1      ILE  54  -5.374  -2.325   5.014
  451   1HG2  ILE  54          1HG2      ILE  54  -8.920  -0.941   3.076
  452   2HG2  ILE  54          2HG2      ILE  54  -8.292  -2.548   2.712
  453   3HG2  ILE  54          3HG2      ILE  54  -7.433  -1.118   2.144
  454   1HD1  ILE  54          1HD1      ILE  54  -5.301  -4.379   3.717
  455   2HD1  ILE  54          2HD1      ILE  54  -6.785  -3.919   2.883
  456   3HD1  ILE  54          3HD1      ILE  54  -6.817  -4.261   4.612
  457    H    GLY  55           H        GLY  55  -7.985   0.339   6.792
  458   1HA   GLY  55          1HA       GLY  55  -9.548   1.926   7.543
  459   2HA   GLY  55          2HA       GLY  55  -9.600   2.572   5.907
  460    H    ILE  56           H        ILE  56  -9.887  -0.642   5.774
  461    HA   ILE  56           HA       ILE  56 -12.816  -0.646   5.855
  462    HB   ILE  56           HB       ILE  56 -11.009  -2.160   3.950
  463   1HG1  ILE  56          1HG1      ILE  56 -12.887   0.121   3.309
  464   2HG1  ILE  56          2HG1      ILE  56 -11.134   0.263   3.412
  465   1HG2  ILE  56          1HG2      ILE  56 -13.109  -2.822   2.834
  466   2HG2  ILE  56          2HG2      ILE  56 -14.014  -2.023   4.123
  467   3HG2  ILE  56          3HG2      ILE  56 -12.994  -3.411   4.494
  468   1HD1  ILE  56          1HD1      ILE  56 -10.902  -1.304   1.563
  469   2HD1  ILE  56          2HD1      ILE  56 -11.888   0.085   1.106
  470   3HD1  ILE  56          3HD1      ILE  56 -12.656  -1.458   1.482
  471    HA   PRO  57           HA       PRO  57 -11.553  -3.964   8.704
  472   1HB   PRO  57          1HB       PRO  57 -14.449  -4.589   8.635
  473   2HB   PRO  57          2HB       PRO  57 -13.423  -4.245  10.029
  474   1HG   PRO  57          1HG       PRO  57 -15.222  -2.465   9.186
  475   2HG   PRO  57          2HG       PRO  57 -13.633  -1.945   9.775
  476   1HD   PRO  57          1HD       PRO  57 -14.605  -2.222   6.957
  477   2HD   PRO  57          2HD       PRO  57 -13.628  -0.930   7.696
  478    HA   PRO  58           HA       PRO  58 -12.168  -7.058   5.405
  479   1HB   PRO  58          1HB       PRO  58  -9.651  -7.569   4.928
  480   2HB   PRO  58          2HB       PRO  58 -10.290  -5.970   4.538
  481   1HG   PRO  58          1HG       PRO  58  -8.450  -6.766   6.728
  482   2HG   PRO  58          2HG       PRO  58  -8.644  -5.189   5.944
  483   1HD   PRO  58          1HD       PRO  58  -9.857  -6.142   8.413
  484   2HD   PRO  58          2HD       PRO  58  -9.927  -4.518   7.686
  485    H    VAL  59           H        VAL  59 -11.012  -9.270   5.157
  486    HA   VAL  59           HA       VAL  59 -11.258 -10.763   7.572
  487    HB   VAL  59           HB       VAL  59 -10.122 -11.553   4.839
  488   1HG1  VAL  59          1HG1      VAL  59 -10.881 -13.306   7.176
  489   2HG1  VAL  59          2HG1      VAL  59  -9.245 -13.008   6.589
  490   3HG1  VAL  59          3HG1      VAL  59 -10.398 -13.884   5.581
  491   1HG2  VAL  59          1HG2      VAL  59 -12.499 -10.961   4.798
  492   2HG2  VAL  59          2HG2      VAL  59 -12.809 -12.133   6.079
  493   3HG2  VAL  59          3HG2      VAL  59 -12.253 -12.682   4.499
  494    HA   PRO  60           HA       PRO  60  -7.314  -9.174   8.816
  495   1HB   PRO  60          1HB       PRO  60  -7.125 -10.349  11.206
  496   2HB   PRO  60          2HB       PRO  60  -8.336  -9.103  10.867
  497   1HG   PRO  60          1HG       PRO  60  -8.642 -12.086  10.877
  498   2HG   PRO  60          2HG       PRO  60  -9.679 -10.863  11.635
  499   1HD   PRO  60          1HD       PRO  60 -10.275 -11.987   9.251
  500   2HD   PRO  60          2HD       PRO  60 -10.697 -10.308   9.647
  501    H    ILE  61           H        ILE  61  -6.955 -11.474   6.986
  502    HA   ILE  61           HA       ILE  61  -4.923 -13.005   8.424
  503    HB   ILE  61           HB       ILE  61  -6.150 -13.409   5.665
  504   1HG1  ILE  61          1HG1      ILE  61  -6.522 -15.033   8.188
  505   2HG1  ILE  61          2HG1      ILE  61  -7.685 -13.876   7.567
  506   1HG2  ILE  61          1HG2      ILE  61  -4.974 -15.579   5.638
  507   2HG2  ILE  61          2HG2      ILE  61  -4.215 -15.188   7.180
  508   3HG2  ILE  61          3HG2      ILE  61  -3.836 -14.236   5.747
  509   1HD1  ILE  61          1HD1      ILE  61  -7.944 -15.245   5.553
  510   2HD1  ILE  61          2HD1      ILE  61  -8.322 -16.152   7.016
  511   3HD1  ILE  61          3HD1      ILE  61  -6.779 -16.397   6.197
  512    H    GLY  62           H        GLY  62  -2.736 -12.761   7.755
  513   1HA   GLY  62          1HA       GLY  62  -1.897 -11.731   5.418
  514   2HA   GLY  62          2HA       GLY  62  -2.285 -10.306   6.381
  515    H    ILE  63           H        ILE  63   0.172 -11.866   5.302
  516    HA   ILE  63           HA       ILE  63   1.698 -11.634   7.773
  517    HB   ILE  63           HB       ILE  63   2.203 -13.531   5.429
  518   1HG1  ILE  63          1HG1      ILE  63   2.055 -15.333   7.277
  519   2HG1  ILE  63          2HG1      ILE  63   1.292 -14.099   8.259
  520   1HG2  ILE  63          1HG2      ILE  63   3.831 -13.164   7.927
  521   2HG2  ILE  63          2HG2      ILE  63   4.305 -12.732   6.285
  522   3HG2  ILE  63          3HG2      ILE  63   4.091 -14.427   6.724
  523   1HD1  ILE  63          1HD1      ILE  63  -0.352 -15.570   7.248
  524   2HD1  ILE  63          2HD1      ILE  63   0.258 -15.175   5.641
  525   3HD1  ILE  63          3HD1      ILE  63  -0.521 -13.930   6.618
  526    H    ASP  64           H        ASP  64   3.664 -10.610   7.546
  527    HA   ASP  64           HA       ASP  64   4.222  -9.283   4.992
  528   1HB   ASP  64          1HB       ASP  64   3.365  -7.710   6.803
  529   2HB   ASP  64          2HB       ASP  64   4.702  -8.226   7.813
  530    H    GLU  65           H        GLU  65   5.689 -10.840   4.326
  531    HA   GLU  65           HA       GLU  65   7.310 -12.214   6.111
  532   1HB   GLU  65          1HB       GLU  65   7.444 -11.945   3.118
  533   2HB   GLU  65          2HB       GLU  65   8.445 -13.042   4.038
  534   1HG   GLU  65          1HG       GLU  65   6.764 -14.470   3.389
  535   2HG   GLU  65          2HG       GLU  65   6.127 -13.924   4.930
  536    H    GLU  66           H        GLU  66   8.199  -9.917   3.626
  537    HA   GLU  66           HA       GLU  66  10.171  -8.762   5.305
  538   1HB   GLU  66          1HB       GLU  66  11.048 -11.070   4.378
  539   2HB   GLU  66          2HB       GLU  66  11.182 -10.218   2.856
  540   1HG   GLU  66          1HG       GLU  66  12.618  -9.367   5.346
  541   2HG   GLU  66          2HG       GLU  66  13.288 -10.497   4.173
  542    H    ARG  67           H        ARG  67  11.381  -7.113   3.753
  543    HA   ARG  67           HA       ARG  67   9.233  -5.865   2.325
  544   1HB   ARG  67          1HB       ARG  67  10.511  -4.587   3.954
  545   2HB   ARG  67          2HB       ARG  67  11.956  -4.798   2.983
  546   1HG   ARG  67          1HG       ARG  67  10.773  -2.576   2.721
  547   2HG   ARG  67          2HG       ARG  67  11.119  -3.461   1.229
  548   1HD   ARG  67          1HD       ARG  67   8.872  -2.559   1.219
  549   2HD   ARG  67          2HD       ARG  67   8.917  -4.326   1.174
  550    HE   ARG  67           HE       ARG  67   8.376  -2.859   3.683
  551   1HH1  ARG  67          1HH1      ARG  67   7.433  -5.449   1.399
  552   2HH1  ARG  67          2HH1      ARG  67   6.235  -6.076   2.426
  553   1HH2  ARG  67          1HH2      ARG  67   6.675  -3.802   5.084
  554   2HH2  ARG  67          2HH2      ARG  67   5.827  -5.154   4.563
  555    H    SER  68           H        SER  68  12.408  -7.092   1.719
  556    HA   SER  68           HA       SER  68  12.174  -6.447  -1.096
  557   1HB   SER  68          1HB       SER  68  14.330  -6.085   0.142
  558   2HB   SER  68          2HB       SER  68  14.456  -7.825   0.389
  559    HG   SER  68           HG       SER  68  14.196  -6.587  -2.123
  560    H    THR  69           H        THR  69  10.394  -8.149   0.163
  561    HA   THR  69           HA       THR  69  10.530 -10.515  -1.474
  562    HB   THR  69           HB       THR  69   9.841 -10.609   1.488
  563    HG1  THR  69           HG1      THR  69  12.145 -10.163   1.144
  564   1HG2  THR  69          1HG2      THR  69  10.529 -12.802  -0.472
  565   2HG2  THR  69          2HG2      THR  69   8.900 -12.383   0.054
  566   3HG2  THR  69          3HG2      THR  69  10.056 -13.038   1.212
  567    H    VAL  70           H        VAL  70   8.119 -11.403  -1.257
  568    HA   VAL  70           HA       VAL  70   6.383  -9.066  -1.302
  569    HB   VAL  70           HB       VAL  70   4.684 -10.546  -2.189
  570   1HG1  VAL  70          1HG1      VAL  70   7.295 -10.828  -3.629
  571   2HG1  VAL  70          2HG1      VAL  70   6.090  -9.547  -3.797
  572   3HG1  VAL  70          3HG1      VAL  70   5.714 -11.186  -4.324
  573   1HG2  VAL  70          1HG2      VAL  70   5.200 -12.603  -1.025
  574   2HG2  VAL  70          2HG2      VAL  70   6.705 -12.768  -1.923
  575   3HG2  VAL  70          3HG2      VAL  70   5.159 -12.895  -2.763
  576    H    MET  71           H        MET  71   4.473  -9.103  -0.218
  577    HA   MET  71           HA       MET  71   4.585 -10.521   2.342
  578   1HB   MET  71          1HB       MET  71   3.409  -8.577   3.288
  579   2HB   MET  71          2HB       MET  71   4.924  -8.059   2.556
  580   1HG   MET  71          1HG       MET  71   3.601  -7.385   0.539
  581   2HG   MET  71          2HG       MET  71   2.140  -7.743   1.450
  582   1HE   MET  71          1HE       MET  71   1.077  -5.372   1.254
  583   2HE   MET  71          2HE       MET  71   2.382  -5.013   0.132
  584   3HE   MET  71          3HE       MET  71   1.998  -3.877   1.429
  585    H    ILE  72           H        ILE  72   2.645 -11.510   2.912
  586    HA   ILE  72           HA       ILE  72   0.624 -11.315   0.817
  587    HB   ILE  72           HB       ILE  72   1.600 -13.506   0.729
  588   1HG1  ILE  72          1HG1      ILE  72  -0.413 -14.963   1.018
  589   2HG1  ILE  72          2HG1      ILE  72  -1.196 -13.646   1.880
  590   1HG2  ILE  72          1HG2      ILE  72   2.470 -13.770   2.931
  591   2HG2  ILE  72          2HG2      ILE  72   1.452 -15.156   2.532
  592   3HG2  ILE  72          3HG2      ILE  72   0.842 -13.892   3.599
  593   1HD1  ILE  72          1HD1      ILE  72  -0.294 -13.577  -0.994
  594   2HD1  ILE  72          2HD1      ILE  72  -1.106 -12.267  -0.135
  595   3HD1  ILE  72          3HD1      ILE  72  -1.951 -13.786  -0.429
  596    HA   PRO  73           HA       PRO  73  -1.756 -10.042   4.434
  597   1HB   PRO  73          1HB       PRO  73  -2.695  -7.768   2.935
  598   2HB   PRO  73          2HB       PRO  73  -1.624  -7.754   4.340
  599   1HG   PRO  73          1HG       PRO  73  -0.827  -7.030   1.814
  600   2HG   PRO  73          2HG       PRO  73   0.268  -7.659   3.058
  601   1HD   PRO  73          1HD       PRO  73  -1.045  -9.119   0.785
  602   2HD   PRO  73          2HD       PRO  73   0.637  -9.218   1.358
  603    H    TYR  74           H        TYR  74  -3.278 -11.643   4.157
  604    HA   TYR  74           HA       TYR  74  -4.823 -11.606   1.724
  605   1HB   TYR  74          1HB       TYR  74  -3.824 -13.761   2.704
  606   2HB   TYR  74          2HB       TYR  74  -5.099 -13.624   3.918
  607    HD1  TYR  74           HD1      TYR  74  -7.369 -14.208   3.413
  608    HD2  TYR  74           HD2      TYR  74  -4.448 -14.092   0.326
  609    HE1  TYR  74           HE1      TYR  74  -8.950 -15.284   1.875
  610    HE2  TYR  74           HE2      TYR  74  -6.024 -15.172  -1.213
  611    HH   TYR  74           HH       TYR  74  -8.007 -16.643  -1.008
  612    H    THR  75           H        THR  75  -5.543  -9.596   2.530
  613    HA   THR  75           HA       THR  75  -7.620  -9.883   4.441
  614    HB   THR  75           HB       THR  75  -7.564  -7.330   4.303
  615    HG1  THR  75           HG1      THR  75  -5.155  -6.888   3.649
  616   1HG2  THR  75          1HG2      THR  75  -6.607  -8.551   6.199
  617   2HG2  THR  75          2HG2      THR  75  -5.605  -7.157   5.790
  618   3HG2  THR  75          3HG2      THR  75  -5.106  -8.776   5.303
  619    H    LYS  76           H        LYS  76  -9.693  -9.494   3.792
  620    HA   LYS  76           HA       LYS  76 -10.114  -8.977   0.930
  621   1HB   LYS  76          1HB       LYS  76 -11.961 -10.315   2.902
  622   2HB   LYS  76          2HB       LYS  76 -12.395  -9.938   1.247
  623   1HG   LYS  76          1HG       LYS  76 -10.547 -11.414   0.491
  624   2HG   LYS  76          2HG       LYS  76 -10.283 -11.866   2.178
  625   1HD   LYS  76          1HD       LYS  76 -12.578 -12.676   2.328
  626   2HD   LYS  76          2HD       LYS  76 -12.861 -12.200   0.656
  627   1HE   LYS  76          1HE       LYS  76 -11.096 -13.767  -0.055
  628   2HE   LYS  76          2HE       LYS  76 -10.905 -14.271   1.624
  629   1HZ   LYS  76          1HZ       LYS  76 -13.194 -15.040   1.615
  630   2HZ   LYS  76          2HZ       LYS  76 -12.316 -15.786   0.411
  631   3HZ   LYS  76          3HZ       LYS  76 -13.385 -14.551   0.012
  632    HA   PRO  77           HA       PRO  77 -12.052  -5.275   2.610
  633   1HB   PRO  77          1HB       PRO  77 -10.565  -3.488   1.259
  634   2HB   PRO  77          2HB       PRO  77  -9.963  -4.277   2.719
  635   1HG   PRO  77          1HG       PRO  77  -9.094  -4.627  -0.055
  636   2HG   PRO  77          2HG       PRO  77  -8.297  -5.149   1.436
  637   1HD   PRO  77          1HD       PRO  77 -10.007  -6.688  -0.383
  638   2HD   PRO  77          2HD       PRO  77  -8.949  -7.261   0.925
  639    H    CYS  78           H        CYS  78 -12.539  -3.165   1.014
  640    HA   CYS  78           HA       CYS  78 -14.185  -4.266  -1.111
  641   1HB   CYS  78          1HB       CYS  78 -15.119  -2.661   0.588
  642   2HB   CYS  78          2HB       CYS  78 -14.019  -1.445  -0.033
  643    HG   CYS  78           HG       CYS  78 -15.469  -0.589  -1.867
  644    H    TYR  79           H        TYR  79 -11.092  -3.330  -0.862
  645    HA   TYR  79           HA       TYR  79 -11.097  -1.966  -3.450
  646   1HB   TYR  79          1HB       TYR  79 -10.093  -0.694  -1.531
  647   2HB   TYR  79          2HB       TYR  79  -8.855  -1.939  -1.417
  648    HD1  TYR  79           HD1      TYR  79 -10.367   0.411  -3.854
  649    HD2  TYR  79           HD2      TYR  79  -6.867  -1.647  -2.618
  650    HE1  TYR  79           HE1      TYR  79  -9.076   1.636  -5.534
  651    HE2  TYR  79           HE2      TYR  79  -5.557  -0.424  -4.302
  652    HH   TYR  79           HH       TYR  79  -6.014   0.703  -6.447
  653    H    GLY  80           H        GLY  80  -8.474  -3.813  -1.801
  654   1HA   GLY  80          1HA       GLY  80  -8.711  -6.116  -3.327
  655   2HA   GLY  80          2HA       GLY  80  -7.631  -5.009  -4.167
  656    H    THR  81           H        THR  81  -6.393  -7.160  -3.518
  657    HA   THR  81           HA       THR  81  -5.202  -6.921  -0.882
  658    HB   THR  81           HB       THR  81  -4.912  -8.975  -3.057
  659    HG1  THR  81           HG1      THR  81  -6.605  -8.841  -0.791
  660   1HG2  THR  81          1HG2      THR  81  -4.004  -9.088  -0.173
  661   2HG2  THR  81          2HG2      THR  81  -2.959  -8.944  -1.585
  662   3HG2  THR  81          3HG2      THR  81  -3.891 -10.421  -1.324
  663    H    ALA  82           H        ALA  82  -3.259  -6.256  -0.538
  664    HA   ALA  82           HA       ALA  82  -1.857  -5.121  -2.828
  665   1HB   ALA  82          1HB       ALA  82  -1.853  -4.331   0.070
  666   2HB   ALA  82          2HB       ALA  82  -2.747  -3.533  -1.224
  667   3HB   ALA  82          3HB       ALA  82  -0.981  -3.524  -1.231
  668    H    VAL  83           H        VAL  83  -0.125  -6.223  -3.387
  669    HA   VAL  83           HA       VAL  83   1.616  -7.300  -1.281
  670    HB   VAL  83           HB       VAL  83   1.331  -8.236  -4.159
  671   1HG1  VAL  83          1HG1      VAL  83   2.744  -9.473  -1.802
  672   2HG1  VAL  83          2HG1      VAL  83   3.512  -8.665  -3.167
  673   3HG1  VAL  83          3HG1      VAL  83   2.637 -10.179  -3.414
  674   1HG2  VAL  83          1HG2      VAL  83  -0.732  -8.769  -2.969
  675   2HG2  VAL  83          2HG2      VAL  83   0.195  -9.550  -1.688
  676   3HG2  VAL  83          3HG2      VAL  83   0.185 -10.236  -3.313
  677    H    VAL  84           H        VAL  84   3.695  -6.437  -1.369
  678    HA   VAL  84           HA       VAL  84   4.425  -4.945  -3.764
  679    HB   VAL  84           HB       VAL  84   5.246  -2.981  -2.500
  680   1HG1  VAL  84          1HG1      VAL  84   2.990  -2.846  -3.082
  681   2HG1  VAL  84          2HG1      VAL  84   3.294  -2.054  -1.535
  682   3HG1  VAL  84          3HG1      VAL  84   2.514  -3.636  -1.583
  683   1HG2  VAL  84          1HG2      VAL  84   4.430  -4.429   0.031
  684   2HG2  VAL  84          2HG2      VAL  84   5.060  -2.785  -0.072
  685   3HG2  VAL  84          3HG2      VAL  84   6.088  -4.152  -0.502
  686    H    GLU  85           H        GLU  85   6.642  -5.041  -4.216
  687    HA   GLU  85           HA       GLU  85   8.275  -6.410  -2.248
  688   1HB   GLU  85          1HB       GLU  85   7.474  -8.107  -3.904
  689   2HB   GLU  85          2HB       GLU  85   8.249  -7.170  -5.178
  690   1HG   GLU  85          1HG       GLU  85  10.411  -7.455  -3.997
  691   2HG   GLU  85          2HG       GLU  85   9.585  -8.498  -2.844
  692    H    LEU  86           H        LEU  86  10.093  -5.401  -2.002
  693    HA   LEU  86           HA       LEU  86  10.696  -3.239  -3.855
  694   1HB   LEU  86          1HB       LEU  86  10.356  -2.821  -1.439
  695   2HB   LEU  86          2HB       LEU  86  11.725  -3.853  -1.090
  696    HG   LEU  86           HG       LEU  86  13.109  -2.222  -2.440
  697   1HD1  LEU  86          1HD1      LEU  86  12.267   0.044  -2.629
  698   2HD1  LEU  86          2HD1      LEU  86  10.676  -0.501  -2.101
  699   3HD1  LEU  86          3HD1      LEU  86  11.350  -1.085  -3.623
  700   1HD2  LEU  86          1HD2      LEU  86  13.217  -2.358  -0.037
  701   2HD2  LEU  86          2HD2      LEU  86  11.788  -1.335   0.105
  702   3HD2  LEU  86          3HD2      LEU  86  13.284  -0.671  -0.548
  703    HA   PRO  87           HA       PRO  87  14.270  -5.896  -4.966
  704   1HB   PRO  87          1HB       PRO  87  15.571  -4.248  -6.631
  705   2HB   PRO  87          2HB       PRO  87  14.025  -4.977  -7.087
  706   1HG   PRO  87          1HG       PRO  87  14.597  -2.209  -6.102
  707   2HG   PRO  87          2HG       PRO  87  13.485  -2.733  -7.375
  708   1HD   PRO  87          1HD       PRO  87  12.736  -2.106  -4.803
  709   2HD   PRO  87          2HD       PRO  87  11.805  -3.157  -5.887
  710    H    VAL  88           H        VAL  88  14.295  -3.234  -3.121
  711    HA   VAL  88           HA       VAL  88  17.195  -3.073  -2.666
  712    HB   VAL  88           HB       VAL  88  14.988  -1.251  -1.679
  713   1HG1  VAL  88          1HG1      VAL  88  16.701   0.396  -1.244
  714   2HG1  VAL  88          2HG1      VAL  88  17.937  -0.706  -1.833
  715   3HG1  VAL  88          3HG1      VAL  88  17.034  -1.099  -0.365
  716   1HG2  VAL  88          1HG2      VAL  88  14.979  -1.132  -4.083
  717   2HG2  VAL  88          2HG2      VAL  88  16.724  -0.881  -4.104
  718   3HG2  VAL  88          3HG2      VAL  88  15.671   0.355  -3.425
  719    H    ASP  89           H        ASP  89  17.775  -3.025  -0.418
  720    HA   ASP  89           HA       ASP  89  16.625  -5.087   1.130
  721   1HB   ASP  89          1HB       ASP  89  18.664  -2.963   1.787
  722   2HB   ASP  89          2HB       ASP  89  18.157  -4.141   2.990
  723    HA   PRO  90           HA       PRO  90  13.384  -3.267   3.538
  724   1HB   PRO  90          1HB       PRO  90  14.091  -4.006   6.113
  725   2HB   PRO  90          2HB       PRO  90  13.254  -5.046   4.954
  726   1HG   PRO  90          1HG       PRO  90  16.186  -4.893   5.578
  727   2HG   PRO  90          2HG       PRO  90  15.158  -6.327   5.372
  728   1HD   PRO  90          1HD       PRO  90  16.728  -5.571   3.400
  729   2HD   PRO  90          2HD       PRO  90  15.060  -6.071   3.052
  730    H    GLU  91           H        GLU  91  16.605  -2.349   4.064
  731    HA   GLU  91           HA       GLU  91  16.547  -0.476   6.136
  732   1HB   GLU  91          1HB       GLU  91  18.471   0.575   4.949
  733   2HB   GLU  91          2HB       GLU  91  18.633  -1.169   5.119
  734   1HG   GLU  91          1HG       GLU  91  17.901  -1.467   2.815
  735   2HG   GLU  91          2HG       GLU  91  17.707   0.268   2.647
  736    H    GLU  92           H        GLU  92  15.291  -0.359   2.939
  737    HA   GLU  92           HA       GLU  92  15.033   2.415   2.550
  738   1HB   GLU  92          1HB       GLU  92  14.778   0.593   0.823
  739   2HB   GLU  92          2HB       GLU  92  13.216   0.230   1.532
  740   1HG   GLU  92          1HG       GLU  92  12.725   1.533  -0.342
  741   2HG   GLU  92          2HG       GLU  92  12.607   2.652   1.011
  742    H    ILE  93           H        ILE  93  13.161   0.064   4.384
  743    HA   ILE  93           HA       ILE  93  10.702   1.447   4.599
  744    HB   ILE  93           HB       ILE  93  11.951  -0.482   6.579
  745   1HG1  ILE  93          1HG1      ILE  93   9.815  -0.909   4.479
  746   2HG1  ILE  93          2HG1      ILE  93  11.473  -1.502   4.417
  747   1HG2  ILE  93          1HG2      ILE  93   9.111   0.554   6.497
  748   2HG2  ILE  93          2HG2      ILE  93  10.318   0.902   7.734
  749   3HG2  ILE  93          3HG2      ILE  93   9.699  -0.739   7.544
  750   1HD1  ILE  93          1HD1      ILE  93   9.815  -3.218   5.084
  751   2HD1  ILE  93          2HD1      ILE  93   9.482  -2.281   6.537
  752   3HD1  ILE  93          3HD1      ILE  93  11.087  -2.963   6.275
  753    H    GLU  94           H        GLU  94  13.613   1.526   6.533
  754    HA   GLU  94           HA       GLU  94  12.568   3.122   8.600
  755   1HB   GLU  94          1HB       GLU  94  15.437   2.730   7.734
  756   2HB   GLU  94          2HB       GLU  94  14.901   3.295   9.322
  757   1HG   GLU  94          1HG       GLU  94  13.725   1.173   9.678
  758   2HG   GLU  94          2HG       GLU  94  14.271   0.606   8.111
  759    H    ARG  95           H        ARG  95  14.181   3.853   5.609
  760    HA   ARG  95           HA       ARG  95  14.391   6.682   5.961
  761   1HB   ARG  95          1HB       ARG  95  15.737   5.459   4.347
  762   2HB   ARG  95          2HB       ARG  95  14.288   4.913   3.519
  763   1HG   ARG  95          1HG       ARG  95  13.799   7.321   3.022
  764   2HG   ARG  95          2HG       ARG  95  15.423   7.687   3.620
  765   1HD   ARG  95          1HD       ARG  95  16.378   6.159   2.018
  766   2HD   ARG  95          2HD       ARG  95  14.764   5.731   1.456
  767    HE   ARG  95           HE       ARG  95  15.611   8.500   1.293
  768   1HH1  ARG  95          1HH1      ARG  95  14.890   5.436  -0.376
  769   2HH1  ARG  95          2HH1      ARG  95  14.776   6.155  -1.911
  770   1HH2  ARG  95          1HH2      ARG  95  15.441   9.481  -0.839
  771   2HH2  ARG  95          2HH2      ARG  95  15.083   8.487  -2.173
  772    H    ILE  96           H        ILE  96  12.160   4.481   4.452
  773    HA   ILE  96           HA       ILE  96  10.275   6.296   3.468
  774    HB   ILE  96           HB       ILE  96  10.534   3.412   3.945
  775   1HG1  ILE  96          1HG1      ILE  96  11.438   4.261   1.915
  776   2HG1  ILE  96          2HG1      ILE  96  10.101   3.188   1.525
  777   1HG2  ILE  96          1HG2      ILE  96   8.314   2.790   3.116
  778   2HG2  ILE  96          2HG2      ILE  96   7.827   4.477   3.208
  779   3HG2  ILE  96          3HG2      ILE  96   8.266   3.606   4.678
  780   1HD1  ILE  96          1HD1      ILE  96   8.683   5.152   1.117
  781   2HD1  ILE  96          2HD1      ILE  96  10.106   5.119   0.083
  782   3HD1  ILE  96          3HD1      ILE  96  10.054   6.209   1.464
  783    H    LEU  97           H        LEU  97  10.899   5.174   6.611
  784    HA   LEU  97           HA       LEU  97   8.309   5.707   7.710
  785   1HB   LEU  97          1HB       LEU  97   9.884   4.101   8.730
  786   2HB   LEU  97          2HB       LEU  97  11.002   5.406   9.052
  787    HG   LEU  97           HG       LEU  97   9.378   6.391  10.622
  788   1HD1  LEU  97          1HD1      LEU  97   7.310   5.544   9.653
  789   2HD1  LEU  97          2HD1      LEU  97   7.443   5.079  11.348
  790   3HD1  LEU  97          3HD1      LEU  97   7.769   3.895  10.082
  791   1HD2  LEU  97          1HD2      LEU  97   9.633   4.693  12.370
  792   2HD2  LEU  97          2HD2      LEU  97  11.117   4.907  11.440
  793   3HD2  LEU  97          3HD2      LEU  97  10.085   3.507  11.146
  794    H    GLU  98           H        GLU  98  11.222   7.484   7.111
  795    HA   GLU  98           HA       GLU  98  10.425   9.829   8.619
  796   1HB   GLU  98          1HB       GLU  98  12.824   9.155   8.079
  797   2HB   GLU  98          2HB       GLU  98  12.460   9.589   6.419
  798   1HG   GLU  98          1HG       GLU  98  11.973  11.868   7.085
  799   2HG   GLU  98          2HG       GLU  98  12.362  11.483   8.759
  800    H    VAL  99           H        VAL  99  10.630   8.758   5.316
  801    HA   VAL  99           HA       VAL  99   9.414  11.070   4.124
  802    HB   VAL  99           HB       VAL  99  10.097   8.330   3.000
  803   1HG1  VAL  99          1HG1      VAL  99  10.111   9.415   0.758
  804   2HG1  VAL  99          2HG1      VAL  99   9.557  10.919   1.495
  805   3HG1  VAL  99          3HG1      VAL  99   8.514   9.498   1.501
  806   1HG2  VAL  99          1HG2      VAL  99  12.051   9.420   3.850
  807   2HG2  VAL  99          2HG2      VAL  99  11.676  10.885   2.941
  808   3HG2  VAL  99          3HG2      VAL  99  12.110   9.404   2.088
  809    H    ALA 100           H        ALA 100   8.088   9.048   6.102
  810    HA   ALA 100           HA       ALA 100   5.904   7.724   5.000
  811   1HB   ALA 100          1HB       ALA 100   4.892   7.880   7.223
  812   2HB   ALA 100          2HB       ALA 100   6.092   9.087   7.682
  813   3HB   ALA 100          3HB       ALA 100   6.596   7.438   7.317
  814    H    GLU 101           H        GLU 101   6.129  10.978   6.278
  815    HA   GLU 101           HA       GLU 101   3.710  11.606   4.834
  816   1HB   GLU 101          1HB       GLU 101   4.603  12.623   7.531
  817   2HB   GLU 101          2HB       GLU 101   3.306  13.368   6.618
  818   1HG   GLU 101          1HG       GLU 101   2.051  11.257   6.711
  819   2HG   GLU 101          2HG       GLU 101   3.362  10.532   7.640
  820    HA   PRO 102           HA       PRO 102   6.912  14.426   3.178
  821   1HB   PRO 102          1HB       PRO 102   5.542  14.034   0.635
  822   2HB   PRO 102          2HB       PRO 102   7.186  13.562   1.076
  823   1HG   PRO 102          1HG       PRO 102   5.253  11.711   0.650
  824   2HG   PRO 102          2HG       PRO 102   6.523  11.493   1.874
  825   1HD   PRO 102          1HD       PRO 102   3.727  12.509   2.252
  826   2HD   PRO 102          2HD       PRO 102   4.585  11.200   3.110
  Start of MODEL   17
    1    H    HIS   1           H        HIS   1   4.056   7.323 -13.745
    2    HA   HIS   1           HA       HIS   1   2.476   8.532 -12.364
    3   1HB   HIS   1          1HB       HIS   1   2.473   5.524 -11.964
    4   2HB   HIS   1          2HB       HIS   1   1.109   6.562 -11.586
    5    HD1  HIS   1           HD1      HIS   1  -0.015   7.785 -13.723
    6    HD2  HIS   1           HD2      HIS   1   2.651   4.702 -14.547
    7    HE1  HIS   1           HE1      HIS   1  -0.443   7.107 -16.112
    8    H    MET   2           H        MET   2   1.766   9.148 -10.349
    9    HA   MET   2           HA       MET   2   2.981   8.081  -7.948
   10   1HB   MET   2          1HB       MET   2   3.052  11.017  -8.753
   11   2HB   MET   2          2HB       MET   2   3.430  10.413  -7.152
   12   1HG   MET   2          1HG       MET   2   5.381   9.250  -8.041
   13   2HG   MET   2          2HG       MET   2   4.973   9.801  -9.663
   14   1HE   MET   2          1HE       MET   2   8.186  11.896  -8.727
   15   2HE   MET   2          2HE       MET   2   7.477  10.785  -9.894
   16   3HE   MET   2          3HE       MET   2   7.831  10.233  -8.258
   17    H    THR   3           H        THR   3   1.347   7.966  -6.452
   18    HA   THR   3           HA       THR   3  -1.094   9.423  -7.125
   19    HB   THR   3           HB       THR   3  -1.367   7.007  -7.378
   20    HG1  THR   3           HG1      THR   3  -3.094   6.723  -5.857
   21   1HG2  THR   3          1HG2      THR   3  -1.276   5.507  -5.428
   22   2HG2  THR   3          2HG2      THR   3  -0.664   6.841  -4.448
   23   3HG2  THR   3          3HG2      THR   3   0.296   6.220  -5.794
   24    H    PHE   4           H        PHE   4  -1.952  10.758  -5.694
   25    HA   PHE   4           HA       PHE   4  -1.077  10.586  -2.919
   26   1HB   PHE   4          1HB       PHE   4  -1.200  13.176  -4.494
   27   2HB   PHE   4          2HB       PHE   4  -0.804  13.028  -2.783
   28    HD1  PHE   4           HD1      PHE   4   0.470  12.984  -6.117
   29    HD2  PHE   4           HD2      PHE   4   1.221  11.661  -2.152
   30    HE1  PHE   4           HE1      PHE   4   2.817  12.574  -6.701
   31    HE2  PHE   4           HE2      PHE   4   3.572  11.255  -2.727
   32    HZ   PHE   4           HZ       PHE   4   4.367  11.697  -4.999
   33    H    CYS   5           H        CYS   5  -3.606  10.391  -4.863
   34    HA   CYS   5           HA       CYS   5  -5.430  11.914  -3.202
   35   1HB   CYS   5          1HB       CYS   5  -5.894  10.283  -5.706
   36   2HB   CYS   5          2HB       CYS   5  -7.117  11.237  -4.875
   37    HG   CYS   5           HG       CYS   5  -6.668  13.393  -6.100
   38    H    LEU   6           H        LEU   6  -5.798  10.848  -1.304
   39    HA   LEU   6           HA       LEU   6  -6.428   8.052  -1.617
   40   1HB   LEU   6          1HB       LEU   6  -6.284   7.840   0.933
   41   2HB   LEU   6          2HB       LEU   6  -4.818   7.954   0.010
   42    HG   LEU   6           HG       LEU   6  -4.472  10.266   0.836
   43   1HD1  LEU   6          1HD1      LEU   6  -5.901  11.212   2.559
   44   2HD1  LEU   6          2HD1      LEU   6  -6.996   9.837   2.438
   45   3HD1  LEU   6          3HD1      LEU   6  -6.836  10.957   1.085
   46   1HD2  LEU   6          1HD2      LEU   6  -4.049   9.723   3.126
   47   2HD2  LEU   6          2HD2      LEU   6  -3.682   8.300   2.145
   48   3HD2  LEU   6          3HD2      LEU   6  -5.179   8.390   3.057
   49    H    GLU   7           H        GLU   7  -7.732  11.006  -0.460
   50    HA   GLU   7           HA       GLU   7 -10.030   9.824   0.710
   51   1HB   GLU   7          1HB       GLU   7  -9.030  11.962   1.481
   52   2HB   GLU   7          2HB       GLU   7  -9.500  12.701  -0.038
   53   1HG   GLU   7          1HG       GLU   7 -11.834  12.373   0.502
   54   2HG   GLU   7          2HG       GLU   7 -11.388  11.560   2.002
   55    H    THR   8           H        THR   8  -9.086  10.783  -2.434
   56    HA   THR   8           HA       THR   8 -11.582  11.188  -3.608
   57    HB   THR   8           HB       THR   8  -9.189   9.878  -4.826
   58    HG1  THR   8           HG1      THR   8  -9.412  12.667  -4.883
   59   1HG2  THR   8          1HG2      THR   8 -11.180  10.109  -6.262
   60   2HG2  THR   8          2HG2      THR   8  -9.860  11.119  -6.842
   61   3HG2  THR   8          3HG2      THR   8 -11.199  11.848  -5.960
   62    H    TYR   9           H        TYR   9  -9.559   8.394  -2.921
   63    HA   TYR   9           HA       TYR   9 -11.251   6.564  -4.229
   64   1HB   TYR   9          1HB       TYR   9  -8.838   6.320  -2.521
   65   2HB   TYR   9          2HB       TYR   9  -9.820   4.884  -2.776
   66    HD1  TYR   9           HD1      TYR   9  -7.752   7.460  -4.428
   67    HD2  TYR   9           HD2      TYR   9  -9.843   3.788  -4.897
   68    HE1  TYR   9           HE1      TYR   9  -6.689   7.138  -6.620
   69    HE2  TYR   9           HE2      TYR   9  -8.787   3.454  -7.085
   70    HH   TYR   9           HH       TYR   9  -7.803   4.846  -8.815
   71    H    LEU  10           H        LEU  10 -10.849   7.746  -1.046
   72    HA   LEU  10           HA       LEU  10 -12.499   5.954   0.333
   73   1HB   LEU  10          1HB       LEU  10 -10.787   7.646   1.189
   74   2HB   LEU  10          2HB       LEU  10 -11.996   8.867   0.922
   75    HG   LEU  10           HG       LEU  10 -12.481   6.578   2.817
   76   1HD1  LEU  10          1HD1      LEU  10 -11.216   9.256   3.378
   77   2HD1  LEU  10          2HD1      LEU  10 -10.415   7.687   3.477
   78   3HD1  LEU  10          3HD1      LEU  10 -11.720   8.086   4.594
   79   1HD2  LEU  10          1HD2      LEU  10 -14.027   8.168   3.837
   80   2HD2  LEU  10          2HD2      LEU  10 -14.427   7.909   2.137
   81   3HD2  LEU  10          3HD2      LEU  10 -13.591   9.382   2.633
   82    H    GLN  11           H        GLN  11 -13.104   8.925  -1.428
   83    HA   GLN  11           HA       GLN  11 -15.879   9.087  -0.850
   84   1HB   GLN  11          1HB       GLN  11 -14.022  10.382  -2.802
   85   2HB   GLN  11          2HB       GLN  11 -15.745  10.705  -2.880
   86   1HG   GLN  11          1HG       GLN  11 -15.713  11.620  -0.654
   87   2HG   GLN  11          2HG       GLN  11 -14.041  11.113  -0.431
   88   1HE2  GLN  11          1HE2      GLN  11 -13.427  13.198   0.015
   89   2HE2  GLN  11          2HE2      GLN  11 -13.269  14.405  -1.204
   90    H    GLN  12           H        GLN  12 -13.919   7.734  -3.406
   91    HA   GLN  12           HA       GLN  12 -16.128   7.106  -5.066
   92   1HB   GLN  12          1HB       GLN  12 -13.243   6.269  -5.217
   93   2HB   GLN  12          2HB       GLN  12 -14.444   5.749  -6.384
   94   1HG   GLN  12          1HG       GLN  12 -13.736   8.615  -5.817
   95   2HG   GLN  12          2HG       GLN  12 -13.081   7.659  -7.143
   96   1HE2  GLN  12          1HE2      GLN  12 -14.661  10.095  -7.185
   97   2HE2  GLN  12          2HE2      GLN  12 -16.063   9.733  -8.130
   98    H    SER  13           H        SER  13 -14.748   5.618  -2.396
   99    HA   SER  13           HA       SER  13 -15.265   3.891  -1.233
  100   1HB   SER  13          1HB       SER  13 -17.305   3.158  -3.357
  101   2HB   SER  13          2HB       SER  13 -17.146   2.350  -1.796
  102    HG   SER  13           HG       SER  13 -17.373   5.112  -1.803
  103    H    GLY  14           H        GLY  14 -13.594   2.640  -1.117
  104   1HA   GLY  14          1HA       GLY  14 -12.886   0.363  -2.023
  105   2HA   GLY  14          2HA       GLY  14 -12.689   1.252  -3.535
  106    H    GLU  15           H        GLU  15 -12.075   2.177  -0.239
  107    HA   GLU  15           HA       GLU  15  -9.445   3.061  -0.988
  108   1HB   GLU  15          1HB       GLU  15  -9.554   4.361   1.109
  109   2HB   GLU  15          2HB       GLU  15 -10.840   4.750  -0.018
  110   1HG   GLU  15          1HG       GLU  15 -11.263   2.845   2.288
  111   2HG   GLU  15          2HG       GLU  15 -11.413   4.583   2.479
  112    H    TYR  16           H        TYR  16  -7.712   2.690   0.519
  113    HA   TYR  16           HA       TYR  16  -7.938   0.496   2.486
  114   1HB   TYR  16          1HB       TYR  16  -6.988  -0.217   0.184
  115   2HB   TYR  16          2HB       TYR  16  -5.679   0.901   0.484
  116    HD1  TYR  16           HD1      TYR  16  -7.268  -2.223   1.676
  117    HD2  TYR  16           HD2      TYR  16  -3.782   0.204   1.732
  118    HE1  TYR  16           HE1      TYR  16  -6.010  -4.065   2.714
  119    HE2  TYR  16           HE2      TYR  16  -2.518  -1.618   2.779
  120    HH   TYR  16           HH       TYR  16  -3.811  -4.821   3.061
  121    H    GLU  17           H        GLU  17  -8.029   3.378   2.483
  122    HA   GLU  17           HA       GLU  17  -5.582   4.135   3.850
  123   1HB   GLU  17          1HB       GLU  17  -6.903   5.751   1.680
  124   2HB   GLU  17          2HB       GLU  17  -5.545   6.283   2.629
  125   1HG   GLU  17          1HG       GLU  17  -4.572   5.697   0.624
  126   2HG   GLU  17          2HG       GLU  17  -4.347   4.230   1.568
  127    H    ILE  18           H        ILE  18  -5.995   6.289   4.897
  128    HA   ILE  18           HA       ILE  18  -8.774   6.431   5.496
  129    HB   ILE  18           HB       ILE  18  -7.343   5.469   7.461
  130   1HG1  ILE  18          1HG1      ILE  18  -9.206   7.787   8.097
  131   2HG1  ILE  18          2HG1      ILE  18  -9.706   6.148   7.707
  132   1HG2  ILE  18          1HG2      ILE  18  -6.742   8.393   7.880
  133   2HG2  ILE  18          2HG2      ILE  18  -5.568   7.159   7.441
  134   3HG2  ILE  18          3HG2      ILE  18  -6.370   7.093   9.011
  135   1HD1  ILE  18          1HD1      ILE  18  -8.634   5.340   9.728
  136   2HD1  ILE  18          2HD1      ILE  18  -9.795   6.616  10.096
  137   3HD1  ILE  18          3HD1      ILE  18  -8.067   6.968  10.090
  138    H    HIS  19           H        HIS  19  -8.845   8.922   6.943
  139    HA   HIS  19           HA       HIS  19  -8.348  10.820   4.830
  140   1HB   HIS  19          1HB       HIS  19  -9.298  11.251   7.671
  141   2HB   HIS  19          2HB       HIS  19  -9.184  12.535   6.480
  142    HD1  HIS  19           HD1      HIS  19 -11.060  12.552   4.568
  143    HD2  HIS  19           HD2      HIS  19 -11.438   9.535   7.426
  144    HE1  HIS  19           HE1      HIS  19 -13.354  11.633   4.311
  145    H    MET  20           H        MET  20  -5.973   9.774   5.456
  146    HA   MET  20           HA       MET  20  -4.436  11.813   6.912
  147   1HB   MET  20          1HB       MET  20  -4.310   8.944   6.519
  148   2HB   MET  20          2HB       MET  20  -2.716   9.689   6.623
  149   1HG   MET  20          1HG       MET  20  -3.493  10.629   8.833
  150   2HG   MET  20          2HG       MET  20  -4.958   9.668   8.643
  151   1HE   MET  20          1HE       MET  20  -2.995   9.504  11.164
  152   2HE   MET  20          2HE       MET  20  -2.949   7.760  11.415
  153   3HE   MET  20          3HE       MET  20  -4.473   8.551  11.011
  154    H    LYS  21           H        LYS  21  -1.955  10.591   5.454
  155    HA   LYS  21           HA       LYS  21  -2.463  11.925   2.902
  156   1HB   LYS  21          1HB       LYS  21  -1.066  13.181   4.656
  157   2HB   LYS  21          2HB       LYS  21   0.150  11.941   4.440
  158   1HG   LYS  21          1HG       LYS  21  -0.844  13.640   2.164
  159   2HG   LYS  21          2HG       LYS  21   0.472  14.145   3.214
  160   1HD   LYS  21          1HD       LYS  21   1.768  12.213   2.535
  161   2HD   LYS  21          2HD       LYS  21   0.418  11.629   1.557
  162   1HE   LYS  21          1HE       LYS  21   0.563  13.566   0.128
  163   2HE   LYS  21          2HE       LYS  21   1.819  14.267   1.146
  164   1HZ   LYS  21          1HZ       LYS  21   3.288  12.459   0.538
  165   2HZ   LYS  21          2HZ       LYS  21   2.729  13.209  -0.843
  166   3HZ   LYS  21          3HZ       LYS  21   2.048  11.730  -0.349
  167    H    ARG  22           H        ARG  22  -1.817  10.771   1.104
  168    HA   ARG  22           HA       ARG  22  -0.455   8.211   1.629
  169   1HB   ARG  22          1HB       ARG  22  -1.795   7.126   0.066
  170   2HB   ARG  22          2HB       ARG  22  -2.878   8.432   0.439
  171   1HG   ARG  22          1HG       ARG  22  -2.175   9.687  -1.489
  172   2HG   ARG  22          2HG       ARG  22  -0.948   8.486  -1.881
  173   1HD   ARG  22          1HD       ARG  22  -3.949   8.113  -1.940
  174   2HD   ARG  22          2HD       ARG  22  -2.898   8.290  -3.332
  175    HE   ARG  22           HE       ARG  22  -1.869   6.086  -2.512
  176   1HH1  ARG  22          1HH1      ARG  22  -5.305   6.913  -2.398
  177   2HH1  ARG  22          2HH1      ARG  22  -5.777   5.339  -1.921
  178   1HH2  ARG  22          1HH2      ARG  22  -2.505   3.991  -2.146
  179   2HH2  ARG  22          2HH2      ARG  22  -4.153   3.610  -1.757
  180    H    ALA  23           H        ALA  23   1.229   7.665   0.329
  181    HA   ALA  23           HA       ALA  23   2.025   9.585  -1.735
  182   1HB   ALA  23          1HB       ALA  23   3.877   8.643   0.439
  183   2HB   ALA  23          2HB       ALA  23   3.240  10.279   0.272
  184   3HB   ALA  23          3HB       ALA  23   4.350   9.631  -0.940
  185    H    GLY  24           H        GLY  24   1.391   8.054  -3.207
  186   1HA   GLY  24          1HA       GLY  24   2.843   5.521  -3.127
  187   2HA   GLY  24          2HA       GLY  24   1.344   5.805  -3.994
  188    H    PHE  25           H        PHE  25   4.738   6.495  -3.880
  189    HA   PHE  25           HA       PHE  25   4.766   7.672  -6.511
  190   1HB   PHE  25          1HB       PHE  25   7.040   6.644  -4.783
  191   2HB   PHE  25          2HB       PHE  25   7.238   7.543  -6.279
  192    HD1  PHE  25           HD1      PHE  25   6.834   9.908  -6.358
  193    HD2  PHE  25           HD2      PHE  25   6.348   7.719  -2.753
  194    HE1  PHE  25           HE1      PHE  25   6.859  12.011  -5.090
  195    HE2  PHE  25           HE2      PHE  25   6.367   9.815  -1.477
  196    HZ   PHE  25           HZ       PHE  25   6.622  11.965  -2.644
  197    H    ARG  26           H        ARG  26   6.153   4.686  -5.191
  198    HA   ARG  26           HA       ARG  26   6.446   3.727  -7.918
  199   1HB   ARG  26          1HB       ARG  26   7.121   2.357  -5.323
  200   2HB   ARG  26          2HB       ARG  26   7.329   1.620  -6.896
  201   1HG   ARG  26          1HG       ARG  26   9.412   2.344  -6.294
  202   2HG   ARG  26          2HG       ARG  26   8.861   3.587  -7.423
  203   1HD   ARG  26          1HD       ARG  26   8.170   4.916  -5.413
  204   2HD   ARG  26          2HD       ARG  26   8.972   3.700  -4.426
  205    HE   ARG  26           HE       ARG  26  10.499   5.036  -6.515
  206   1HH1  ARG  26          1HH1      ARG  26  10.154   4.310  -3.058
  207   2HH1  ARG  26          2HH1      ARG  26  11.430   5.309  -2.582
  208   1HH2  ARG  26          1HH2      ARG  26  12.281   6.323  -5.874
  209   2HH2  ARG  26          2HH2      ARG  26  12.701   6.481  -4.218
  210    H    GLU  27           H        GLU  27   4.533   3.036  -5.148
  211    HA   GLU  27           HA       GLU  27   3.282   0.775  -6.350
  212   1HB   GLU  27          1HB       GLU  27   3.096   2.113  -3.791
  213   2HB   GLU  27          2HB       GLU  27   1.655   1.208  -4.296
  214   1HG   GLU  27          1HG       GLU  27   2.908  -0.751  -4.381
  215   2HG   GLU  27          2HG       GLU  27   4.431   0.135  -4.225
  216    H    CYS  28           H        CYS  28   2.807   3.997  -6.985
  217    HA   CYS  28           HA       CYS  28   0.064   4.208  -7.143
  218   1HB   CYS  28          1HB       CYS  28   1.534   6.087  -7.742
  219   2HB   CYS  28          2HB       CYS  28   2.042   5.242  -9.197
  220    HG   CYS  28           HG       CYS  28  -0.993   5.190  -9.704
  221    H    ALA  29           H        ALA  29   2.269   2.641  -9.448
  222    HA   ALA  29           HA       ALA  29   0.258   1.847 -11.296
  223   1HB   ALA  29          1HB       ALA  29   2.965   0.618 -10.815
  224   2HB   ALA  29          2HB       ALA  29   2.650   1.972 -11.898
  225   3HB   ALA  29          3HB       ALA  29   1.946   0.391 -12.236
  226    H    ALA  30           H        ALA  30   1.682   0.377  -8.520
  227    HA   ALA  30           HA       ALA  30   0.451  -2.109  -8.714
  228   1HB   ALA  30          1HB       ALA  30   0.966  -2.392  -6.397
  229   2HB   ALA  30          2HB       ALA  30   1.116  -0.651  -6.184
  230   3HB   ALA  30          3HB       ALA  30   2.298  -1.514  -7.163
  231    H    MET  31           H        MET  31  -0.493   0.784  -6.914
  232    HA   MET  31           HA       MET  31  -2.708  -0.172  -5.605
  233   1HB   MET  31          1HB       MET  31  -3.400   1.984  -5.118
  234   2HB   MET  31          2HB       MET  31  -1.675   2.155  -5.352
  235   1HG   MET  31          1HG       MET  31  -1.951   3.234  -7.423
  236   2HG   MET  31          2HG       MET  31  -3.629   2.721  -7.555
  237   1HE   MET  31          1HE       MET  31  -5.348   4.932  -4.813
  238   2HE   MET  31          2HE       MET  31  -4.612   3.380  -4.471
  239   3HE   MET  31          3HE       MET  31  -5.551   3.603  -5.952
  240    H    ILE  32           H        ILE  32  -2.581   0.829  -8.921
  241    HA   ILE  32           HA       ILE  32  -5.360   1.068  -9.296
  242    HB   ILE  32           HB       ILE  32  -3.107   0.443 -11.199
  243   1HG1  ILE  32          1HG1      ILE  32  -2.878   2.623 -10.179
  244   2HG1  ILE  32          2HG1      ILE  32  -3.296   2.808 -11.876
  245   1HG2  ILE  32          1HG2      ILE  32  -5.191  -0.322 -12.211
  246   2HG2  ILE  32          2HG2      ILE  32  -4.643   1.142 -13.033
  247   3HG2  ILE  32          3HG2      ILE  32  -5.959   1.227 -11.863
  248   1HD1  ILE  32          1HD1      ILE  32  -5.165   3.145  -9.532
  249   2HD1  ILE  32          2HD1      ILE  32  -5.617   3.288 -11.229
  250   3HD1  ILE  32          3HD1      ILE  32  -4.471   4.427 -10.525
  251    H    GLU  33           H        GLU  33  -3.174  -1.627  -9.819
  252    HA   GLU  33           HA       GLU  33  -5.425  -3.317 -10.489
  253   1HB   GLU  33          1HB       GLU  33  -2.468  -3.975 -10.384
  254   2HB   GLU  33          2HB       GLU  33  -3.750  -4.919 -11.137
  255   1HG   GLU  33          1HG       GLU  33  -4.183  -3.193 -12.760
  256   2HG   GLU  33          2HG       GLU  33  -3.022  -2.136 -11.975
  257    H    LYS  34           H        LYS  34  -3.551  -2.446  -7.833
  258    HA   LYS  34           HA       LYS  34  -3.743  -4.698  -6.108
  259   1HB   LYS  34          1HB       LYS  34  -2.467  -2.251  -6.173
  260   2HB   LYS  34          2HB       LYS  34  -3.733  -1.956  -4.999
  261   1HG   LYS  34          1HG       LYS  34  -2.864  -3.509  -3.514
  262   2HG   LYS  34          2HG       LYS  34  -1.864  -4.276  -4.756
  263   1HD   LYS  34          1HD       LYS  34  -0.371  -2.991  -3.409
  264   2HD   LYS  34          2HD       LYS  34  -0.579  -2.116  -4.920
  265   1HE   LYS  34          1HE       LYS  34  -2.221  -0.598  -3.751
  266   2HE   LYS  34          2HE       LYS  34  -1.892  -1.459  -2.260
  267   1HZ   LYS  34          1HZ       LYS  34   0.456  -0.609  -2.325
  268   2HZ   LYS  34          2HZ       LYS  34  -0.606   0.679  -2.477
  269   3HZ   LYS  34          3HZ       LYS  34   0.137   0.097  -3.803
  270    H    LYS  35           H        LYS  35  -5.748  -2.025  -7.036
  271    HA   LYS  35           HA       LYS  35  -7.687  -2.592  -5.029
  272   1HB   LYS  35          1HB       LYS  35  -7.212  -0.250  -5.705
  273   2HB   LYS  35          2HB       LYS  35  -7.808  -0.595  -7.316
  274   1HG   LYS  35          1HG       LYS  35  -9.627  -1.030  -4.989
  275   2HG   LYS  35          2HG       LYS  35  -9.313   0.617  -5.524
  276   1HD   LYS  35          1HD       LYS  35 -10.258   0.207  -7.647
  277   2HD   LYS  35          2HD       LYS  35 -10.187  -1.540  -7.424
  278   1HE   LYS  35          1HE       LYS  35 -11.901   0.289  -5.753
  279   2HE   LYS  35          2HE       LYS  35 -12.467  -0.521  -7.215
  280   1HZ   LYS  35          1HZ       LYS  35 -12.067  -2.642  -6.196
  281   2HZ   LYS  35          2HZ       LYS  35 -13.036  -1.743  -5.157
  282   3HZ   LYS  35          3HZ       LYS  35 -11.406  -1.951  -4.815
  283    H    ALA  36           H        ALA  36  -6.968  -3.774  -8.121
  284    HA   ALA  36           HA       ALA  36  -9.621  -4.363  -9.007
  285   1HB   ALA  36          1HB       ALA  36  -7.013  -5.678  -9.805
  286   2HB   ALA  36          2HB       ALA  36  -7.744  -4.284 -10.598
  287   3HB   ALA  36          3HB       ALA  36  -8.550  -5.852 -10.650
  288    H    ARG  37           H        ARG  37  -7.092  -6.260  -7.453
  289    HA   ARG  37           HA       ARG  37  -9.002  -7.659  -5.865
  290   1HB   ARG  37          1HB       ARG  37  -9.051  -8.958  -8.042
  291   2HB   ARG  37          2HB       ARG  37  -7.355  -9.335  -7.754
  292   1HG   ARG  37          1HG       ARG  37  -8.075 -10.339  -5.557
  293   2HG   ARG  37          2HG       ARG  37  -9.733 -10.185  -6.132
  294   1HD   ARG  37          1HD       ARG  37  -7.506 -11.827  -7.322
  295   2HD   ARG  37          2HD       ARG  37  -9.007 -12.401  -6.610
  296    HE   ARG  37           HE       ARG  37  -8.800 -10.927  -9.148
  297   1HH1  ARG  37          1HH1      ARG  37 -10.526 -13.248  -7.080
  298   2HH1  ARG  37          2HH1      ARG  37 -11.518 -13.818  -8.322
  299   1HH2  ARG  37          1HH2      ARG  37 -10.183 -11.754 -10.874
  300   2HH2  ARG  37          2HH2      ARG  37 -11.355 -12.921 -10.485
  301    H    ARG  38           H        ARG  38  -5.817  -8.528  -7.156
  302    HA   ARG  38           HA       ARG  38  -4.529  -7.645  -4.811
  303   1HB   ARG  38          1HB       ARG  38  -3.653  -9.864  -4.088
  304   2HB   ARG  38          2HB       ARG  38  -5.400  -9.756  -3.957
  305   1HG   ARG  38          1HG       ARG  38  -5.739 -11.104  -5.842
  306   2HG   ARG  38          2HG       ARG  38  -4.015 -11.092  -6.231
  307   1HD   ARG  38          1HD       ARG  38  -4.676 -13.151  -5.148
  308   2HD   ARG  38          2HD       ARG  38  -3.524 -12.231  -4.173
  309    HE   ARG  38           HE       ARG  38  -6.041 -11.492  -3.314
  310   1HH1  ARG  38          1HH1      ARG  38  -4.280 -14.563  -3.451
  311   2HH1  ARG  38          2HH1      ARG  38  -4.984 -15.171  -2.015
  312   1HH2  ARG  38          1HH2      ARG  38  -6.944 -12.295  -1.358
  313   2HH2  ARG  38          2HH2      ARG  38  -6.551 -13.849  -0.793
  314    H    VAL  39           H        VAL  39  -2.642  -6.885  -5.583
  315    HA   VAL  39           HA       VAL  39  -1.345  -8.355  -7.731
  316    HB   VAL  39           HB       VAL  39  -2.157  -5.467  -7.781
  317   1HG1  VAL  39          1HG1      VAL  39  -0.058  -6.746  -9.583
  318   2HG1  VAL  39          2HG1      VAL  39   0.260  -5.494  -8.386
  319   3HG1  VAL  39          3HG1      VAL  39  -0.729  -5.129  -9.798
  320   1HG2  VAL  39          1HG2      VAL  39  -2.841  -6.124 -10.093
  321   2HG2  VAL  39          2HG2      VAL  39  -3.702  -6.942  -8.791
  322   3HG2  VAL  39          3HG2      VAL  39  -2.426  -7.779  -9.672
  323    H    VAL  40           H        VAL  40   0.790  -8.126  -7.858
  324    HA   VAL  40           HA       VAL  40   2.033  -7.030  -5.469
  325    HB   VAL  40           HB       VAL  40   2.391  -9.479  -5.691
  326   1HG1  VAL  40          1HG1      VAL  40   3.809  -8.845  -8.266
  327   2HG1  VAL  40          2HG1      VAL  40   2.262  -9.663  -8.107
  328   3HG1  VAL  40          3HG1      VAL  40   3.729 -10.428  -7.491
  329   1HG2  VAL  40          1HG2      VAL  40   4.166  -8.182  -4.602
  330   2HG2  VAL  40          2HG2      VAL  40   4.946  -7.938  -6.163
  331   3HG2  VAL  40          3HG2      VAL  40   4.834  -9.559  -5.481
  332    H    HIS  41           H        HIS  41   3.963  -5.711  -5.742
  333    HA   HIS  41           HA       HIS  41   4.494  -4.948  -8.520
  334   1HB   HIS  41          1HB       HIS  41   3.008  -3.382  -7.035
  335   2HB   HIS  41          2HB       HIS  41   4.537  -2.963  -6.281
  336    HD1  HIS  41           HD1      HIS  41   6.078  -1.249  -7.641
  337    HD2  HIS  41           HD2      HIS  41   2.699  -2.544  -9.721
  338    HE1  HIS  41           HE1      HIS  41   5.847   0.194  -9.673
  339    H    ILE  42           H        ILE  42   6.610  -5.091  -8.896
  340    HA   ILE  42           HA       ILE  42   8.380  -5.503  -6.667
  341    HB   ILE  42           HB       ILE  42   8.770  -6.865  -8.718
  342   1HG1  ILE  42          1HG1      ILE  42  11.030  -4.896  -8.284
  343   2HG1  ILE  42          2HG1      ILE  42  10.719  -6.316  -7.298
  344   1HG2  ILE  42          1HG2      ILE  42   7.959  -5.374 -10.420
  345   2HG2  ILE  42          2HG2      ILE  42   9.622  -5.833 -10.798
  346   3HG2  ILE  42          3HG2      ILE  42   9.279  -4.248 -10.111
  347   1HD1  ILE  42          1HD1      ILE  42  11.173  -7.747  -9.234
  348   2HD1  ILE  42          2HD1      ILE  42  12.541  -6.701  -8.861
  349   3HD1  ILE  42          3HD1      ILE  42  11.481  -6.313 -10.215
  350    H    LYS  43           H        LYS  43   9.813  -3.959  -5.902
  351    HA   LYS  43           HA       LYS  43  10.521  -1.919  -5.375
  352   1HB   LYS  43          1HB       LYS  43  10.288  -1.418  -8.354
  353   2HB   LYS  43          2HB       LYS  43  10.746  -0.135  -7.249
  354   1HG   LYS  43          1HG       LYS  43  12.680  -1.526  -6.551
  355   2HG   LYS  43          2HG       LYS  43  12.229  -2.690  -7.797
  356   1HD   LYS  43          1HD       LYS  43  12.544  -1.043  -9.525
  357   2HD   LYS  43          2HD       LYS  43  12.828   0.218  -8.324
  358   1HE   LYS  43          1HE       LYS  43  14.833  -0.983  -7.565
  359   2HE   LYS  43          2HE       LYS  43  14.548  -2.214  -8.794
  360   1HZ   LYS  43          1HZ       LYS  43  16.199  -0.575  -9.492
  361   2HZ   LYS  43          2HZ       LYS  43  15.101   0.653  -9.284
  362   3HZ   LYS  43          3HZ       LYS  43  14.836  -0.495 -10.496
  363    HA   PRO  44           HA       PRO  44   6.352  -0.214  -5.185
  364   1HB   PRO  44          1HB       PRO  44   5.518  -1.315  -2.897
  365   2HB   PRO  44          2HB       PRO  44   5.458  -2.207  -4.419
  366   1HG   PRO  44          1HG       PRO  44   7.262  -2.546  -2.114
  367   2HG   PRO  44          2HG       PRO  44   6.787  -3.720  -3.349
  368   1HD   PRO  44          1HD       PRO  44   9.172  -2.183  -3.218
  369   2HD   PRO  44          2HD       PRO  44   8.648  -3.340  -4.462
  370    H    GLY  45           H        GLY  45   5.721   1.561  -3.915
  371   1HA   GLY  45          1HA       GLY  45   7.174   2.228  -1.560
  372   2HA   GLY  45          2HA       GLY  45   7.670   3.177  -2.949
  373    H    GLU  46           H        GLU  46   4.653   2.068  -1.487
  374    HA   GLU  46           HA       GLU  46   3.773   4.815  -1.651
  375   1HB   GLU  46          1HB       GLU  46   2.339   3.607  -3.000
  376   2HB   GLU  46          2HB       GLU  46   2.239   2.247  -1.881
  377   1HG   GLU  46          1HG       GLU  46   0.861   3.547  -0.433
  378   2HG   GLU  46          2HG       GLU  46   1.118   4.988  -1.420
  379    H    LYS  47           H        LYS  47   3.845   5.851   0.037
  380    HA   LYS  47           HA       LYS  47   3.760   4.575   2.624
  381   1HB   LYS  47          1HB       LYS  47   4.437   7.351   1.758
  382   2HB   LYS  47          2HB       LYS  47   4.492   6.764   3.411
  383   1HG   LYS  47          1HG       LYS  47   6.223   5.413   3.064
  384   2HG   LYS  47          2HG       LYS  47   6.026   5.340   1.299
  385   1HD   LYS  47          1HD       LYS  47   6.823   7.649   2.952
  386   2HD   LYS  47          2HD       LYS  47   7.935   6.591   2.019
  387   1HE   LYS  47          1HE       LYS  47   6.710   7.336  -0.043
  388   2HE   LYS  47          2HE       LYS  47   5.769   8.433   0.956
  389   1HZ   LYS  47          1HZ       LYS  47   8.662   8.619   0.357
  390   2HZ   LYS  47          2HZ       LYS  47   7.922   9.373   1.671
  391   3HZ   LYS  47          3HZ       LYS  47   7.453   9.815   0.162
  392    H    ILE  48           H        ILE  48   1.870   4.189   2.397
  393    HA   ILE  48           HA       ILE  48  -0.150   6.263   2.248
  394    HB   ILE  48           HB       ILE  48  -1.738   4.303   2.772
  395   1HG1  ILE  48          1HG1      ILE  48   0.596   2.769   1.594
  396   2HG1  ILE  48          2HG1      ILE  48  -0.064   2.582   3.211
  397   1HG2  ILE  48          1HG2      ILE  48  -2.100   5.460   0.900
  398   2HG2  ILE  48          2HG2      ILE  48  -1.914   3.802   0.319
  399   3HG2  ILE  48          3HG2      ILE  48  -0.593   4.962   0.141
  400   1HD1  ILE  48          1HD1      ILE  48  -0.771   0.777   1.742
  401   2HD1  ILE  48          2HD1      ILE  48  -1.499   1.946   0.638
  402   3HD1  ILE  48          3HD1      ILE  48  -2.150   1.743   2.265
  403    H    LEU  49           H        LEU  49  -0.245   7.417   4.034
  404    HA   LEU  49           HA       LEU  49  -0.908   8.010   6.127
  405   1HB   LEU  49          1HB       LEU  49  -1.616   5.100   6.453
  406   2HB   LEU  49          2HB       LEU  49  -1.966   6.346   7.611
  407    HG   LEU  49           HG       LEU  49  -3.674   7.276   6.111
  408   1HD1  LEU  49          1HD1      LEU  49  -2.623   6.724   3.943
  409   2HD1  LEU  49          2HD1      LEU  49  -4.307   6.222   4.089
  410   3HD1  LEU  49          3HD1      LEU  49  -3.018   5.028   4.242
  411   1HD2  LEU  49          1HD2      LEU  49  -3.810   4.314   6.436
  412   2HD2  LEU  49          2HD2      LEU  49  -5.179   5.398   6.196
  413   3HD2  LEU  49          3HD2      LEU  49  -4.203   5.514   7.660
  414    H    GLY  50           H        GLY  50   1.405   5.589   5.622
  415   1HA   GLY  50          1HA       GLY  50   3.387   5.222   6.824
  416   2HA   GLY  50          2HA       GLY  50   2.707   6.140   8.174
  417    H    ALA  51           H        ALA  51   0.232   4.300   7.271
  418    HA   ALA  51           HA       ALA  51   0.809   1.779   8.496
  419   1HB   ALA  51          1HB       ALA  51  -1.112   3.752   9.752
  420   2HB   ALA  51          2HB       ALA  51   0.392   3.183  10.472
  421   3HB   ALA  51          3HB       ALA  51  -0.942   2.058  10.211
  422    H    ARG  52           H        ARG  52  -0.762   0.312   7.793
  423    HA   ARG  52           HA       ARG  52  -2.426   1.292   5.622
  424   1HB   ARG  52          1HB       ARG  52  -2.084  -1.514   6.675
  425   2HB   ARG  52          2HB       ARG  52  -2.906  -1.068   5.193
  426   1HG   ARG  52          1HG       ARG  52  -0.857  -0.344   4.181
  427   2HG   ARG  52          2HG       ARG  52   0.016  -0.545   5.702
  428   1HD   ARG  52          1HD       ARG  52  -1.269  -2.745   4.076
  429   2HD   ARG  52          2HD       ARG  52   0.461  -2.427   4.227
  430    HE   ARG  52           HE       ARG  52  -0.950  -2.830   6.690
  431   1HH1  ARG  52          1HH1      ARG  52   0.984  -4.469   4.134
  432   2HH1  ARG  52          2HH1      ARG  52   1.413  -5.764   5.160
  433   1HH2  ARG  52          1HH2      ARG  52  -0.322  -4.719   8.007
  434   2HH2  ARG  52          2HH2      ARG  52   0.629  -5.952   7.296
  435    H    ILE  53           H        ILE  53  -4.245   2.311   6.348
  436    HA   ILE  53           HA       ILE  53  -5.940   0.824   8.204
  437    HB   ILE  53           HB       ILE  53  -5.722   3.861   8.027
  438   1HG1  ILE  53          1HG1      ILE  53  -4.723   2.046  10.250
  439   2HG1  ILE  53          2HG1      ILE  53  -3.689   2.833   9.064
  440   1HG2  ILE  53          1HG2      ILE  53  -7.136   3.825  10.047
  441   2HG2  ILE  53          2HG2      ILE  53  -7.232   2.068   9.939
  442   3HG2  ILE  53          3HG2      ILE  53  -7.935   3.068   8.667
  443   1HD1  ILE  53          1HD1      ILE  53  -4.373   5.015   9.920
  444   2HD1  ILE  53          2HD1      ILE  53  -3.684   4.012  11.198
  445   3HD1  ILE  53          3HD1      ILE  53  -5.431   4.227  11.088
  446    H    ILE  54           H        ILE  54  -7.475   0.119   6.918
  447    HA   ILE  54           HA       ILE  54  -8.113   1.253   4.382
  448    HB   ILE  54           HB       ILE  54  -9.626  -0.818   6.028
  449   1HG1  ILE  54          1HG1      ILE  54  -8.652  -2.470   4.322
  450   2HG1  ILE  54          2HG1      ILE  54  -7.537  -1.198   3.869
  451   1HG2  ILE  54          1HG2      ILE  54 -11.056   0.208   4.378
  452   2HG2  ILE  54          2HG2      ILE  54 -10.740  -1.480   3.985
  453   3HG2  ILE  54          3HG2      ILE  54  -9.911  -0.198   3.102
  454   1HD1  ILE  54          1HD1      ILE  54  -6.527  -2.824   5.376
  455   2HD1  ILE  54          2HD1      ILE  54  -7.744  -2.462   6.602
  456   3HD1  ILE  54          3HD1      ILE  54  -6.584  -1.226   6.112
  457    H    GLY  55           H        GLY  55  -9.382   1.258   7.512
  458   1HA   GLY  55          1HA       GLY  55 -10.728   2.949   8.559
  459   2HA   GLY  55          2HA       GLY  55 -11.237   3.481   6.955
  460    H    ILE  56           H        ILE  56 -11.663   0.883   6.049
  461    HA   ILE  56           HA       ILE  56 -14.297   0.344   7.151
  462    HB   ILE  56           HB       ILE  56 -12.968  -0.708   4.591
  463   1HG1  ILE  56          1HG1      ILE  56 -15.057   1.446   4.994
  464   2HG1  ILE  56          2HG1      ILE  56 -13.375   1.722   4.563
  465   1HG2  ILE  56          1HG2      ILE  56 -15.182  -1.469   3.955
  466   2HG2  ILE  56          2HG2      ILE  56 -15.837  -0.904   5.492
  467   3HG2  ILE  56          3HG2      ILE  56 -14.677  -2.231   5.469
  468   1HD1  ILE  56          1HD1      ILE  56 -14.817   1.906   2.639
  469   2HD1  ILE  56          2HD1      ILE  56 -15.415   0.267   2.905
  470   3HD1  ILE  56          3HD1      ILE  56 -13.725   0.533   2.467
  471    HA   PRO  57           HA       PRO  57 -12.451  -3.268   9.132
  472   1HB   PRO  57          1HB       PRO  57 -15.127  -4.414   9.364
  473   2HB   PRO  57          2HB       PRO  57 -14.064  -3.826  10.640
  474   1HG   PRO  57          1HG       PRO  57 -16.345  -2.559   9.913
  475   2HG   PRO  57          2HG       PRO  57 -14.935  -1.703  10.569
  476   1HD   PRO  57          1HD       PRO  57 -15.878  -1.976   7.753
  477   2HD   PRO  57          2HD       PRO  57 -15.193  -0.571   8.603
  478    HA   PRO  58           HA       PRO  58 -12.898  -6.075   5.560
  479   1HB   PRO  58          1HB       PRO  58 -10.324  -6.322   5.042
  480   2HB   PRO  58          2HB       PRO  58 -11.142  -4.790   4.718
  481   1HG   PRO  58          1HG       PRO  58  -9.176  -5.446   6.828
  482   2HG   PRO  58          2HG       PRO  58  -9.595  -3.873   6.134
  483   1HD   PRO  58          1HD       PRO  58 -10.595  -5.101   8.576
  484   2HD   PRO  58          2HD       PRO  58 -10.878  -3.461   7.942
  485    H    VAL  59           H        VAL  59 -11.278  -8.040   5.151
  486    HA   VAL  59           HA       VAL  59 -11.620  -9.799   7.387
  487    HB   VAL  59           HB       VAL  59 -10.246 -10.263   4.720
  488   1HG1  VAL  59          1HG1      VAL  59  -9.475 -11.864   6.395
  489   2HG1  VAL  59          2HG1      VAL  59 -10.511 -12.673   5.219
  490   3HG1  VAL  59          3HG1      VAL  59 -11.141 -12.258   6.813
  491   1HG2  VAL  59          1HG2      VAL  59 -13.016 -11.022   5.635
  492   2HG2  VAL  59          2HG2      VAL  59 -12.299 -11.427   4.074
  493   3HG2  VAL  59          3HG2      VAL  59 -12.616  -9.741   4.494
  494    HA   PRO  60           HA       PRO  60  -7.624  -8.451   8.958
  495   1HB   PRO  60          1HB       PRO  60  -7.858  -9.465  11.404
  496   2HB   PRO  60          2HB       PRO  60  -8.895  -8.136  10.870
  497   1HG   PRO  60          1HG       PRO  60  -9.502 -11.063  10.995
  498   2HG   PRO  60          2HG       PRO  60 -10.493  -9.710  11.560
  499   1HD   PRO  60          1HD       PRO  60 -10.841 -10.962   9.157
  500   2HD   PRO  60          2HD       PRO  60 -11.277  -9.264   9.452
  501    H    ILE  61           H        ILE  61  -7.332 -10.644   7.206
  502    HA   ILE  61           HA       ILE  61  -5.648 -12.432   8.810
  503    HB   ILE  61           HB       ILE  61  -7.009 -13.011   6.131
  504   1HG1  ILE  61          1HG1      ILE  61  -7.569 -14.153   8.879
  505   2HG1  ILE  61          2HG1      ILE  61  -8.568 -12.965   8.061
  506   1HG2  ILE  61          1HG2      ILE  61  -5.387 -14.864   7.898
  507   2HG2  ILE  61          2HG2      ILE  61  -4.846 -14.188   6.365
  508   3HG2  ILE  61          3HG2      ILE  61  -6.205 -15.314   6.400
  509   1HD1  ILE  61          1HD1      ILE  61  -8.057 -15.792   7.145
  510   2HD1  ILE  61          2HD1      ILE  61  -9.066 -14.606   6.311
  511   3HD1  ILE  61          3HD1      ILE  61  -9.530 -15.189   7.909
  512    H    GLY  62           H        GLY  62  -3.508 -12.963   7.735
  513   1HA   GLY  62          1HA       GLY  62  -2.685 -12.005   5.305
  514   2HA   GLY  62          2HA       GLY  62  -2.484 -10.658   6.420
  515    H    ILE  63           H        ILE  63  -0.513 -11.968   4.891
  516    HA   ILE  63           HA       ILE  63   1.118 -12.864   7.100
  517    HB   ILE  63           HB       ILE  63   2.399 -14.279   5.527
  518   1HG1  ILE  63          1HG1      ILE  63   0.004 -13.997   3.688
  519   2HG1  ILE  63          2HG1      ILE  63   1.599 -13.325   3.392
  520   1HG2  ILE  63          1HG2      ILE  63  -0.468 -15.042   6.011
  521   2HG2  ILE  63          2HG2      ILE  63   0.894 -15.300   7.104
  522   3HG2  ILE  63          3HG2      ILE  63   0.802 -16.179   5.575
  523   1HD1  ILE  63          1HD1      ILE  63   0.932 -16.255   3.581
  524   2HD1  ILE  63          2HD1      ILE  63   2.530 -15.578   3.264
  525   3HD1  ILE  63          3HD1      ILE  63   1.228 -15.350   2.096
  526    H    ASP  64           H        ASP  64   2.082 -10.974   7.448
  527    HA   ASP  64           HA       ASP  64   3.453  -9.639   5.263
  528   1HB   ASP  64          1HB       ASP  64   3.244  -8.985   8.229
  529   2HB   ASP  64          2HB       ASP  64   4.304  -8.110   7.140
  530    H    GLU  65           H        GLU  65   5.050 -10.975   4.597
  531    HA   GLU  65           HA       GLU  65   6.577 -12.509   6.436
  532   1HB   GLU  65          1HB       GLU  65   6.947 -11.960   3.504
  533   2HB   GLU  65          2HB       GLU  65   7.869 -13.137   4.430
  534   1HG   GLU  65          1HG       GLU  65   4.892 -13.176   4.012
  535   2HG   GLU  65          2HG       GLU  65   6.069 -14.182   3.166
  536    H    GLU  66           H        GLU  66   7.392  -9.860   4.252
  537    HA   GLU  66           HA       GLU  66   9.152  -8.610   6.037
  538   1HB   GLU  66          1HB       GLU  66  10.283 -10.830   4.990
  539   2HB   GLU  66          2HB       GLU  66  10.506  -9.762   3.618
  540   1HG   GLU  66          1HG       GLU  66  11.428  -8.979   6.329
  541   2HG   GLU  66          2HG       GLU  66  12.408 -10.046   5.309
  542    H    ARG  67           H        ARG  67  10.174  -6.795   4.571
  543    HA   ARG  67           HA       ARG  67   7.965  -5.892   2.950
  544   1HB   ARG  67          1HB       ARG  67   9.477  -4.590   4.713
  545   2HB   ARG  67          2HB       ARG  67  10.409  -4.224   3.270
  546   1HG   ARG  67          1HG       ARG  67   7.476  -3.622   3.655
  547   2HG   ARG  67          2HG       ARG  67   8.800  -2.471   3.832
  548   1HD   ARG  67          1HD       ARG  67   9.269  -2.486   1.547
  549   2HD   ARG  67          2HD       ARG  67   8.340  -3.958   1.269
  550    HE   ARG  67           HE       ARG  67   6.411  -2.361   2.105
  551   1HH1  ARG  67          1HH1      ARG  67   9.005  -1.471  -0.101
  552   2HH1  ARG  67          2HH1      ARG  67   8.051  -0.478  -1.103
  553   1HH2  ARG  67          1HH2      ARG  67   5.015  -0.995   0.735
  554   2HH2  ARG  67          2HH2      ARG  67   5.599  -0.256  -0.616
  555    H    SER  68           H        SER  68  11.271  -6.835   2.720
  556    HA   SER  68           HA       SER  68  11.377  -6.327  -0.111
  557   1HB   SER  68          1HB       SER  68  13.399  -7.454   1.813
  558   2HB   SER  68          2HB       SER  68  13.724  -6.821   0.186
  559    HG   SER  68           HG       SER  68  13.838  -4.978   1.015
  560    H    THR  69           H        THR  69   9.557  -8.153   0.888
  561    HA   THR  69           HA       THR  69  10.113 -10.475  -0.713
  562    HB   THR  69           HB       THR  69   9.310 -10.751   2.226
  563    HG1  THR  69           HG1      THR  69  11.727 -10.487   1.077
  564   1HG2  THR  69          1HG2      THR  69   8.456 -12.568   0.788
  565   2HG2  THR  69          2HG2      THR  69   9.705 -13.162   1.881
  566   3HG2  THR  69          3HG2      THR  69  10.089 -12.857   0.187
  567    H    VAL  70           H        VAL  70   7.854 -11.720  -0.751
  568    HA   VAL  70           HA       VAL  70   5.936  -9.677  -1.272
  569    HB   VAL  70           HB       VAL  70   4.442 -11.607  -2.006
  570   1HG1  VAL  70          1HG1      VAL  70   5.702 -10.284  -3.590
  571   2HG1  VAL  70          2HG1      VAL  70   5.701 -11.979  -4.082
  572   3HG1  VAL  70          3HG1      VAL  70   7.131 -11.281  -3.321
  573   1HG2  VAL  70          1HG2      VAL  70   5.510 -13.395  -0.719
  574   2HG2  VAL  70          2HG2      VAL  70   6.996 -13.191  -1.647
  575   3HG2  VAL  70          3HG2      VAL  70   5.528 -13.761  -2.443
  576    H    MET  71           H        MET  71   4.938  -8.790   0.297
  577    HA   MET  71           HA       MET  71   3.993 -10.419   2.507
  578   1HB   MET  71          1HB       MET  71   3.191  -8.324   3.535
  579   2HB   MET  71          2HB       MET  71   4.872  -8.160   3.059
  580   1HG   MET  71          1HG       MET  71   4.207  -6.847   1.119
  581   2HG   MET  71          2HG       MET  71   2.510  -7.078   1.526
  582   1HE   MET  71          1HE       MET  71   5.461  -4.636   4.097
  583   2HE   MET  71          2HE       MET  71   5.902  -5.466   2.605
  584   3HE   MET  71          3HE       MET  71   5.479  -6.398   4.044
  585    H    ILE  72           H        ILE  72   2.019 -11.270   2.551
  586    HA   ILE  72           HA       ILE  72   0.155 -10.267   0.530
  587    HB   ILE  72           HB       ILE  72   0.422 -13.185   1.357
  588   1HG1  ILE  72          1HG1      ILE  72   1.230 -11.866  -1.254
  589   2HG1  ILE  72          2HG1      ILE  72   2.357 -12.375  -0.004
  590   1HG2  ILE  72          1HG2      ILE  72  -1.852 -12.570   0.702
  591   2HG2  ILE  72          2HG2      ILE  72  -1.120 -13.608  -0.521
  592   3HG2  ILE  72          3HG2      ILE  72  -1.249 -11.873  -0.801
  593   1HD1  ILE  72          1HD1      ILE  72   1.667 -14.698  -0.352
  594   2HD1  ILE  72          2HD1      ILE  72   2.278 -13.965  -1.836
  595   3HD1  ILE  72          3HD1      ILE  72   0.542 -14.169  -1.602
  596    HA   PRO  73           HA       PRO  73  -1.975 -10.169   4.491
  597   1HB   PRO  73          1HB       PRO  73  -3.131  -7.619   3.764
  598   2HB   PRO  73          2HB       PRO  73  -1.923  -7.938   5.010
  599   1HG   PRO  73          1HG       PRO  73  -1.426  -6.537   2.677
  600   2HG   PRO  73          2HG       PRO  73  -0.189  -7.347   3.652
  601   1HD   PRO  73          1HD       PRO  73  -1.539  -8.278   1.153
  602   2HD   PRO  73          2HD       PRO  73   0.156  -8.460   1.659
  603    H    TYR  74           H        TYR  74  -3.888 -11.285   4.465
  604    HA   TYR  74           HA       TYR  74  -5.459 -11.304   2.042
  605   1HB   TYR  74          1HB       TYR  74  -5.676 -13.038   4.519
  606   2HB   TYR  74          2HB       TYR  74  -6.593 -13.262   3.037
  607    HD1  TYR  74           HD1      TYR  74  -5.409 -14.047   0.970
  608    HD2  TYR  74           HD2      TYR  74  -3.452 -13.829   4.741
  609    HE1  TYR  74           HE1      TYR  74  -3.630 -15.531   0.137
  610    HE2  TYR  74           HE2      TYR  74  -1.681 -15.300   3.919
  611    HH   TYR  74           HH       TYR  74  -1.406 -16.988   2.234
  612    H    THR  75           H        THR  75  -5.747  -9.063   2.839
  613    HA   THR  75           HA       THR  75  -8.015  -8.839   4.624
  614    HB   THR  75           HB       THR  75  -7.525  -6.430   4.500
  615    HG1  THR  75           HG1      THR  75  -6.301  -6.836   2.393
  616   1HG2  THR  75          1HG2      THR  75  -5.177  -8.137   5.337
  617   2HG2  THR  75          2HG2      THR  75  -6.566  -7.710   6.337
  618   3HG2  THR  75          3HG2      THR  75  -5.427  -6.463   5.827
  619    H    LYS  76           H        LYS  76  -9.916  -8.734   3.651
  620    HA   LYS  76           HA       LYS  76 -10.008  -7.938   0.838
  621   1HB   LYS  76          1HB       LYS  76 -10.809 -10.218   1.261
  622   2HB   LYS  76          2HB       LYS  76 -11.950  -9.610   2.450
  623   1HG   LYS  76          1HG       LYS  76 -13.083  -8.348   0.640
  624   2HG   LYS  76          2HG       LYS  76 -11.986  -9.100  -0.521
  625   1HD   LYS  76          1HD       LYS  76 -12.799 -11.310   0.131
  626   2HD   LYS  76          2HD       LYS  76 -13.874 -10.575   1.319
  627   1HE   LYS  76          1HE       LYS  76 -13.986 -10.154  -1.668
  628   2HE   LYS  76          2HE       LYS  76 -15.066 -11.187  -0.736
  629   1HZ   LYS  76          1HZ       LYS  76 -14.811  -8.237  -0.503
  630   2HZ   LYS  76          2HZ       LYS  76 -15.830  -9.170   0.448
  631   3HZ   LYS  76          3HZ       LYS  76 -16.075  -9.064  -1.217
  632    HA   PRO  77           HA       PRO  77 -12.497  -4.528   2.628
  633   1HB   PRO  77          1HB       PRO  77 -10.862  -2.583   1.817
  634   2HB   PRO  77          2HB       PRO  77 -10.502  -3.496   3.284
  635   1HG   PRO  77          1HG       PRO  77  -9.044  -3.457   0.779
  636   2HG   PRO  77          2HG       PRO  77  -8.602  -4.244   2.302
  637   1HD   PRO  77          1HD       PRO  77  -9.906  -5.385  -0.094
  638   2HD   PRO  77          2HD       PRO  77  -9.003  -6.196   1.207
  639    H    CYS  78           H        CYS  78 -12.872  -2.374   1.402
  640    HA   CYS  78           HA       CYS  78 -14.141  -3.138  -0.994
  641   1HB   CYS  78          1HB       CYS  78 -13.694  -0.572   0.430
  642   2HB   CYS  78          2HB       CYS  78 -14.691  -0.682  -1.052
  643    HG   CYS  78           HG       CYS  78 -16.289  -2.696   0.267
  644    H    TYR  79           H        TYR  79 -11.045  -2.055  -0.208
  645    HA   TYR  79           HA       TYR  79 -10.400  -0.913  -2.743
  646   1HB   TYR  79          1HB       TYR  79  -9.290  -0.177  -0.713
  647   2HB   TYR  79          2HB       TYR  79  -8.668  -1.784  -0.435
  648    HD1  TYR  79           HD1      TYR  79  -8.337   1.267  -2.458
  649    HD2  TYR  79           HD2      TYR  79  -6.675  -2.541  -1.563
  650    HE1  TYR  79           HE1      TYR  79  -6.221   1.941  -3.502
  651    HE2  TYR  79           HE2      TYR  79  -4.570  -1.881  -2.616
  652    HH   TYR  79           HH       TYR  79  -3.928   1.338  -3.336
  653    H    GLY  80           H        GLY  80  -8.557  -3.504  -1.138
  654   1HA   GLY  80          1HA       GLY  80  -9.057  -5.701  -2.589
  655   2HA   GLY  80          2HA       GLY  80  -7.941  -4.765  -3.590
  656    H    THR  81           H        THR  81  -6.420  -6.522  -3.171
  657    HA   THR  81           HA       THR  81  -5.260  -6.469  -0.487
  658    HB   THR  81           HB       THR  81  -5.193  -8.499  -2.673
  659    HG1  THR  81           HG1      THR  81  -6.766  -8.179  -0.371
  660   1HG2  THR  81          1HG2      THR  81  -4.036  -8.679   0.116
  661   2HG2  THR  81          2HG2      THR  81  -3.119  -8.613  -1.388
  662   3HG2  THR  81          3HG2      THR  81  -4.125 -10.017  -1.028
  663    H    ALA  82           H        ALA  82  -3.155  -5.940  -0.304
  664    HA   ALA  82           HA       ALA  82  -1.736  -5.038  -2.729
  665   1HB   ALA  82          1HB       ALA  82  -0.624  -3.457  -1.264
  666   2HB   ALA  82          2HB       ALA  82  -1.474  -4.117   0.131
  667   3HB   ALA  82          3HB       ALA  82  -2.374  -3.272  -1.128
  668    H    VAL  83           H        VAL  83  -0.345  -6.501  -3.325
  669    HA   VAL  83           HA       VAL  83   1.313  -7.747  -1.259
  670    HB   VAL  83           HB       VAL  83   0.965  -8.585  -4.166
  671   1HG1  VAL  83          1HG1      VAL  83   3.059  -9.304  -3.184
  672   2HG1  VAL  83          2HG1      VAL  83   2.006 -10.697  -3.438
  673   3HG1  VAL  83          3HG1      VAL  83   2.202 -10.017  -1.822
  674   1HG2  VAL  83          1HG2      VAL  83  -1.171  -8.892  -3.038
  675   2HG2  VAL  83          2HG2      VAL  83  -0.378  -9.778  -1.738
  676   3HG2  VAL  83          3HG2      VAL  83  -0.425 -10.457  -3.365
  677    H    VAL  84           H        VAL  84   3.340  -6.902  -1.224
  678    HA   VAL  84           HA       VAL  84   4.308  -5.611  -3.672
  679    HB   VAL  84           HB       VAL  84   5.014  -3.562  -2.482
  680   1HG1  VAL  84          1HG1      VAL  84   2.179  -4.136  -1.817
  681   2HG1  VAL  84          2HG1      VAL  84   2.816  -3.474  -3.321
  682   3HG1  VAL  84          3HG1      VAL  84   2.963  -2.556  -1.823
  683   1HG2  VAL  84          1HG2      VAL  84   3.880  -4.808   0.034
  684   2HG2  VAL  84          2HG2      VAL  84   4.572  -3.192  -0.111
  685   3HG2  VAL  84          3HG2      VAL  84   5.598  -4.612  -0.312
  686    H    GLU  85           H        GLU  85   6.492  -5.786  -4.025
  687    HA   GLU  85           HA       GLU  85   8.018  -7.175  -1.951
  688   1HB   GLU  85          1HB       GLU  85   7.218  -8.809  -3.685
  689   2HB   GLU  85          2HB       GLU  85   8.116  -7.888  -4.886
  690   1HG   GLU  85          1HG       GLU  85  10.159  -8.259  -3.442
  691   2HG   GLU  85          2HG       GLU  85   9.197  -9.431  -2.553
  692    H    LEU  86           H        LEU  86   9.705  -5.965  -1.523
  693    HA   LEU  86           HA       LEU  86  10.648  -4.104  -3.546
  694   1HB   LEU  86          1HB       LEU  86  10.110  -3.307  -1.276
  695   2HB   LEU  86          2HB       LEU  86  11.345  -4.358  -0.616
  696    HG   LEU  86           HG       LEU  86  12.989  -3.043  -2.037
  697   1HD1  LEU  86          1HD1      LEU  86  12.366  -0.794  -2.663
  698   2HD1  LEU  86          2HD1      LEU  86  10.700  -1.121  -2.202
  699   3HD1  LEU  86          3HD1      LEU  86  11.438  -2.005  -3.545
  700   1HD2  LEU  86          1HD2      LEU  86  11.529  -1.644   0.204
  701   2HD2  LEU  86          2HD2      LEU  86  13.134  -1.218  -0.383
  702   3HD2  LEU  86          3HD2      LEU  86  12.862  -2.784   0.380
  703    HA   PRO  87           HA       PRO  87  14.213  -6.913  -3.922
  704   1HB   PRO  87          1HB       PRO  87  15.213  -5.941  -6.180
  705   2HB   PRO  87          2HB       PRO  87  13.641  -6.751  -6.194
  706   1HG   PRO  87          1HG       PRO  87  14.270  -3.842  -6.307
  707   2HG   PRO  87          2HG       PRO  87  12.985  -4.747  -7.119
  708   1HD   PRO  87          1HD       PRO  87  12.730  -3.256  -4.742
  709   2HD   PRO  87          2HD       PRO  87  11.556  -4.415  -5.395
  710    H    VAL  88           H        VAL  88  14.236  -4.507  -2.260
  711    HA   VAL  88           HA       VAL  88  17.073  -3.833  -2.265
  712    HB   VAL  88           HB       VAL  88  14.856  -1.855  -1.611
  713   1HG1  VAL  88          1HG1      VAL  88  16.603  -0.144  -1.706
  714   2HG1  VAL  88          2HG1      VAL  88  17.795  -1.413  -1.998
  715   3HG1  VAL  88          3HG1      VAL  88  16.896  -1.377  -0.480
  716   1HG2  VAL  88          1HG2      VAL  88  14.712  -2.250  -4.013
  717   2HG2  VAL  88          2HG2      VAL  88  16.436  -1.924  -4.187
  718   3HG2  VAL  88          3HG2      VAL  88  15.341  -0.632  -3.700
  719    H    ASP  89           H        ASP  89  17.621  -3.371   0.013
  720    HA   ASP  89           HA       ASP  89  16.249  -5.204   1.712
  721   1HB   ASP  89          1HB       ASP  89  18.640  -3.463   2.165
  722   2HB   ASP  89          2HB       ASP  89  17.891  -4.304   3.515
  723    HA   PRO  90           HA       PRO  90  13.184  -3.054   3.902
  724   1HB   PRO  90          1HB       PRO  90  13.636  -3.915   6.494
  725   2HB   PRO  90          2HB       PRO  90  12.753  -4.813   5.258
  726   1HG   PRO  90          1HG       PRO  90  15.586  -5.097   6.144
  727   2HG   PRO  90          2HG       PRO  90  14.412  -6.349   5.722
  728   1HD   PRO  90          1HD       PRO  90  16.329  -5.642   4.012
  729   2HD   PRO  90          2HD       PRO  90  14.699  -6.048   3.445
  730    H    GLU  91           H        GLU  91  16.451  -2.482   4.607
  731    HA   GLU  91           HA       GLU  91  16.400  -0.621   6.708
  732   1HB   GLU  91          1HB       GLU  91  18.500   0.277   5.729
  733   2HB   GLU  91          2HB       GLU  91  18.509  -1.474   5.824
  734   1HG   GLU  91          1HG       GLU  91  18.038  -1.655   3.482
  735   2HG   GLU  91          2HG       GLU  91  17.859   0.087   3.337
  736    H    GLU  92           H        GLU  92  15.451  -0.422   3.435
  737    HA   GLU  92           HA       GLU  92  15.281   2.311   2.874
  738   1HB   GLU  92          1HB       GLU  92  14.979   0.361   1.318
  739   2HB   GLU  92          2HB       GLU  92  13.415   0.077   2.051
  740   1HG   GLU  92          1HG       GLU  92  13.083   1.182  -0.020
  741   2HG   GLU  92          2HG       GLU  92  12.721   2.329   1.268
  742    H    ILE  93           H        ILE  93  13.339   0.233   4.911
  743    HA   ILE  93           HA       ILE  93  10.991   1.789   4.976
  744    HB   ILE  93           HB       ILE  93  12.069  -0.152   7.010
  745   1HG1  ILE  93          1HG1      ILE  93   9.954  -0.524   4.887
  746   2HG1  ILE  93          2HG1      ILE  93  11.616  -1.101   4.778
  747   1HG2  ILE  93          1HG2      ILE  93   9.279   1.010   6.782
  748   2HG2  ILE  93          2HG2      ILE  93  10.441   1.353   8.062
  749   3HG2  ILE  93          3HG2      ILE  93   9.764  -0.267   7.901
  750   1HD1  ILE  93          1HD1      ILE  93  11.238  -2.518   6.720
  751   2HD1  ILE  93          2HD1      ILE  93  10.134  -2.882   5.402
  752   3HD1  ILE  93          3HD1      ILE  93   9.566  -1.962   6.800
  753    H    GLU  94           H        GLU  94  13.945   1.831   6.961
  754    HA   GLU  94           HA       GLU  94  12.940   3.625   8.912
  755   1HB   GLU  94          1HB       GLU  94  15.786   3.396   7.947
  756   2HB   GLU  94          2HB       GLU  94  15.272   4.193   9.421
  757   1HG   GLU  94          1HG       GLU  94  14.376   1.965  10.167
  758   2HG   GLU  94          2HG       GLU  94  15.223   1.266   8.783
  759    H    ARG  95           H        ARG  95  14.415   4.082   5.822
  760    HA   ARG  95           HA       ARG  95  14.674   6.894   5.856
  761   1HB   ARG  95          1HB       ARG  95  15.788   5.327   4.306
  762   2HB   ARG  95          2HB       ARG  95  14.233   4.946   3.607
  763   1HG   ARG  95          1HG       ARG  95  14.028   7.222   2.792
  764   2HG   ARG  95          2HG       ARG  95  15.595   7.620   3.514
  765   1HD   ARG  95          1HD       ARG  95  15.061   5.527   1.441
  766   2HD   ARG  95          2HD       ARG  95  15.859   7.079   1.154
  767    HE   ARG  95           HE       ARG  95  17.306   5.857   3.153
  768   1HH1  ARG  95          1HH1      ARG  95  16.510   5.020  -0.183
  769   2HH1  ARG  95          2HH1      ARG  95  17.896   4.042  -0.399
  770   1HH2  ARG  95          1HH2      ARG  95  19.184   4.465   2.840
  771   2HH2  ARG  95          2HH2      ARG  95  19.400   3.724   1.327
  772    H    ILE  96           H        ILE  96  12.308   4.677   4.537
  773    HA   ILE  96           HA       ILE  96  10.432   6.541   3.629
  774    HB   ILE  96           HB       ILE  96  10.718   3.700   4.050
  775   1HG1  ILE  96          1HG1      ILE  96   9.896   5.319   1.660
  776   2HG1  ILE  96          2HG1      ILE  96  11.477   4.630   2.005
  777   1HG2  ILE  96          1HG2      ILE  96   8.464   3.823   4.905
  778   2HG2  ILE  96          2HG2      ILE  96   8.366   3.144   3.274
  779   3HG2  ILE  96          3HG2      ILE  96   7.976   4.844   3.556
  780   1HD1  ILE  96          1HD1      ILE  96  10.529   2.378   1.738
  781   2HD1  ILE  96          2HD1      ILE  96  10.321   3.362   0.288
  782   3HD1  ILE  96          3HD1      ILE  96   8.959   3.096   1.374
  783    H    LEU  97           H        LEU  97  10.977   5.247   6.758
  784    HA   LEU  97           HA       LEU  97   8.411   5.744   7.904
  785   1HB   LEU  97          1HB       LEU  97  10.080   4.154   8.824
  786   2HB   LEU  97          2HB       LEU  97  11.133   5.495   9.195
  787    HG   LEU  97           HG       LEU  97   9.406   6.337  10.790
  788   1HD1  LEU  97          1HD1      LEU  97   7.457   5.271   9.812
  789   2HD1  LEU  97          2HD1      LEU  97   7.646   4.816  11.507
  790   3HD1  LEU  97          3HD1      LEU  97   8.102   3.685  10.232
  791   1HD2  LEU  97          1HD2      LEU  97  10.436   3.544  11.273
  792   2HD2  LEU  97          2HD2      LEU  97   9.882   4.666  12.515
  793   3HD2  LEU  97          3HD2      LEU  97  11.320   5.042  11.567
  794    H    GLU  98           H        GLU  98  11.392   7.477   7.539
  795    HA   GLU  98           HA       GLU  98  10.573   9.732   9.140
  796   1HB   GLU  98          1HB       GLU  98  12.941   8.854   8.860
  797   2HB   GLU  98          2HB       GLU  98  12.874   9.477   7.223
  798   1HG   GLU  98          1HG       GLU  98  14.039  11.004   8.716
  799   2HG   GLU  98          2HG       GLU  98  12.575  11.727   8.048
  800    H    VAL  99           H        VAL  99  10.820   8.751   5.838
  801    HA   VAL  99           HA       VAL  99   9.912  11.317   4.784
  802    HB   VAL  99           HB       VAL  99  10.924   8.772   3.426
  803   1HG1  VAL  99          1HG1      VAL  99   9.560  10.176   1.877
  804   2HG1  VAL  99          2HG1      VAL  99  11.261  10.174   1.411
  805   3HG1  VAL  99          3HG1      VAL  99  10.580  11.565   2.255
  806   1HG2  VAL  99          1HG2      VAL  99  13.001  10.020   3.061
  807   2HG2  VAL  99          2HG2      VAL  99  12.634   9.793   4.771
  808   3HG2  VAL  99          3HG2      VAL  99  12.349  11.358   4.009
  809    H    ALA 100           H        ALA 100   8.235   9.435   6.333
  810    HA   ALA 100           HA       ALA 100   6.462   7.887   4.770
  811   1HB   ALA 100          1HB       ALA 100   5.854   9.210   7.399
  812   2HB   ALA 100          2HB       ALA 100   6.699   7.675   7.197
  813   3HB   ALA 100          3HB       ALA 100   5.016   7.829   6.689
  814    H    GLU 101           H        GLU 101   6.374  11.337   5.427
  815    HA   GLU 101           HA       GLU 101   3.718  11.415   4.310
  816   1HB   GLU 101          1HB       GLU 101   5.256  13.522   5.803
  817   2HB   GLU 101          2HB       GLU 101   3.714  13.818   5.010
  818   1HG   GLU 101          1HG       GLU 101   2.634  12.176   6.414
  819   2HG   GLU 101          2HG       GLU 101   4.178  11.776   7.164
  820    HA   PRO 102           HA       PRO 102   6.247  14.325   1.311
  821   1HB   PRO 102          1HB       PRO 102   8.566  12.453   1.354
  822   2HB   PRO 102          2HB       PRO 102   8.530  14.176   0.901
  823   1HG   PRO 102          1HG       PRO 102   9.408  13.494   3.277
  824   2HG   PRO 102          2HG       PRO 102   8.277  14.853   3.130
  825   1HD   PRO 102          1HD       PRO 102   7.772  12.064   4.061
  826   2HD   PRO 102          2HD       PRO 102   7.086  13.596   4.642
  Start of MODEL   18
    1    H    HIS   1           H        HIS   1   4.168   9.886 -11.020
    2    HA   HIS   1           HA       HIS   1   1.806   9.848 -11.166
    3   1HB   HIS   1          1HB       HIS   1   2.149   6.900 -10.503
    4   2HB   HIS   1          2HB       HIS   1   0.621   7.759 -10.468
    5    HD1  HIS   1           HD1      HIS   1  -0.442   8.364 -12.859
    6    HD2  HIS   1           HD2      HIS   1   3.000   6.029 -12.952
    7    HE1  HIS   1           HE1      HIS   1  -0.287   7.438 -15.178
    8    H    MET   2           H        MET   2   0.522  10.003  -9.138
    9    HA   MET   2           HA       MET   2   1.922   9.438  -6.675
   10   1HB   MET   2          1HB       MET   2   1.015  12.270  -7.297
   11   2HB   MET   2          2HB       MET   2   1.700  11.697  -5.803
   12   1HG   MET   2          1HG       MET   2   3.414  12.925  -6.783
   13   2HG   MET   2          2HG       MET   2   3.833  11.255  -7.143
   14   1HE   MET   2          1HE       MET   2   1.993  14.180 -10.227
   15   2HE   MET   2          2HE       MET   2   2.299  14.594  -8.540
   16   3HE   MET   2          3HE       MET   2   1.033  13.438  -8.954
   17    H    THR   3           H        THR   3   0.438   9.140  -5.046
   18    HA   THR   3           HA       THR   3  -2.336   9.901  -5.615
   19    HB   THR   3           HB       THR   3  -1.475   7.454  -4.053
   20    HG1  THR   3           HG1      THR   3  -2.695   6.540  -6.011
   21   1HG2  THR   3          1HG2      THR   3  -4.193   8.360  -5.022
   22   2HG2  THR   3          2HG2      THR   3  -3.628   8.395  -3.354
   23   3HG2  THR   3          3HG2      THR   3  -3.857   6.850  -4.172
   24    H    PHE   4           H        PHE   4  -2.788  11.510  -4.311
   25    HA   PHE   4           HA       PHE   4  -2.005  11.231  -1.512
   26   1HB   PHE   4          1HB       PHE   4  -2.247  13.801  -3.063
   27   2HB   PHE   4          2HB       PHE   4  -1.919  13.672  -1.333
   28    HD1  PHE   4           HD1      PHE   4   0.140  12.300  -0.661
   29    HD2  PHE   4           HD2      PHE   4  -0.476  13.903  -4.543
   30    HE1  PHE   4           HE1      PHE   4   2.542  12.107  -1.119
   31    HE2  PHE   4           HE2      PHE   4   1.925  13.711  -5.003
   32    HZ   PHE   4           HZ       PHE   4   3.428  12.788  -3.289
   33    H    CYS   5           H        CYS   5  -4.499  11.459  -3.733
   34    HA   CYS   5           HA       CYS   5  -6.396  12.711  -1.985
   35   1HB   CYS   5          1HB       CYS   5  -6.739  11.260  -4.607
   36   2HB   CYS   5          2HB       CYS   5  -8.037  12.076  -3.743
   37    HG   CYS   5           HG       CYS   5  -7.663  13.963  -5.441
   38    H    LEU   6           H        LEU   6  -6.479  11.517  -0.169
   39    HA   LEU   6           HA       LEU   6  -6.866   8.714  -0.327
   40   1HB   LEU   6          1HB       LEU   6  -6.991   8.821   2.200
   41   2HB   LEU   6          2HB       LEU   6  -5.475   9.217   1.471
   42    HG   LEU   6           HG       LEU   6  -5.821  10.473   3.407
   43   1HD1  LEU   6          1HD1      LEU   6  -5.527  12.739   2.772
   44   2HD1  LEU   6          2HD1      LEU   6  -6.114  12.409   1.159
   45   3HD1  LEU   6          3HD1      LEU   6  -4.622  11.653   1.727
   46   1HD2  LEU   6          1HD2      LEU   6  -7.602  12.089   3.781
   47   2HD2  LEU   6          2HD2      LEU   6  -8.238  10.448   3.612
   48   3HD2  LEU   6          3HD2      LEU   6  -8.369  11.589   2.279
   49    H    GLU   7           H        GLU   7  -8.803  11.470   0.458
   50    HA   GLU   7           HA       GLU   7 -11.007   9.929   1.388
   51   1HB   GLU   7          1HB       GLU   7 -10.559  12.029   2.344
   52   2HB   GLU   7          2HB       GLU   7 -10.608  12.856   0.822
   53   1HG   GLU   7          1HG       GLU   7 -13.089  12.156   0.786
   54   2HG   GLU   7          2HG       GLU   7 -12.843  11.744   2.485
   55    H    THR   8           H        THR   8  -9.905  10.690  -1.664
   56    HA   THR   8           HA       THR   8 -12.389  10.844  -2.997
   57    HB   THR   8           HB       THR   8  -9.714   9.940  -4.098
   58    HG1  THR   8           HG1      THR   8 -10.013  12.391  -4.753
   59   1HG2  THR   8          1HG2      THR   8 -10.589  10.819  -6.237
   60   2HG2  THR   8          2HG2      THR   8 -12.113  11.220  -5.444
   61   3HG2  THR   8          3HG2      THR   8 -11.624   9.535  -5.612
   62    H    TYR   9           H        TYR   9 -10.438   8.276  -1.669
   63    HA   TYR   9           HA       TYR   9 -11.638   6.292  -3.282
   64   1HB   TYR   9          1HB       TYR   9  -9.597   6.242  -1.120
   65   2HB   TYR   9          2HB       TYR   9 -10.384   4.737  -1.611
   66    HD1  TYR   9           HD1      TYR   9 -10.071   3.835  -3.793
   67    HD2  TYR   9           HD2      TYR   9  -8.166   7.475  -2.719
   68    HE1  TYR   9           HE1      TYR   9  -8.717   3.698  -5.809
   69    HE2  TYR   9           HE2      TYR   9  -6.777   7.347  -4.755
   70    HH   TYR   9           HH       TYR   9  -5.999   5.692  -6.381
   71    H    LEU  10           H        LEU  10 -12.393   7.756  -0.311
   72    HA   LEU  10           HA       LEU  10 -14.139   5.738   0.628
   73   1HB   LEU  10          1HB       LEU  10 -13.269   7.741   1.952
   74   2HB   LEU  10          2HB       LEU  10 -14.389   8.736   1.060
   75    HG   LEU  10           HG       LEU  10 -15.293   6.473   2.865
   76   1HD1  LEU  10          1HD1      LEU  10 -15.732   8.199   4.554
   77   2HD1  LEU  10          2HD1      LEU  10 -14.974   9.401   3.513
   78   3HD1  LEU  10          3HD1      LEU  10 -14.014   8.081   4.178
   79   1HD2  LEU  10          1HD2      LEU  10 -16.963   7.266   1.241
   80   2HD2  LEU  10          2HD2      LEU  10 -16.739   8.918   1.822
   81   3HD2  LEU  10          3HD2      LEU  10 -17.419   7.692   2.892
   82    H    GLN  11           H        GLN  11 -14.377   8.494  -1.469
   83    HA   GLN  11           HA       GLN  11 -17.165   8.410  -1.948
   84   1HB   GLN  11          1HB       GLN  11 -14.878   9.699  -3.433
   85   2HB   GLN  11          2HB       GLN  11 -16.561   9.918  -3.882
   86   1HG   GLN  11          1HG       GLN  11 -15.337  10.672  -1.229
   87   2HG   GLN  11          2HG       GLN  11 -15.697  11.788  -2.546
   88   1HE2  GLN  11          1HE2      GLN  11 -16.730  11.717   0.211
   89   2HE2  GLN  11          2HE2      GLN  11 -18.433  11.584   0.066
   90    H    GLN  12           H        GLN  12 -14.365   6.925  -3.378
   91    HA   GLN  12           HA       GLN  12 -15.927   5.947  -5.569
   92   1HB   GLN  12          1HB       GLN  12 -13.033   5.481  -4.875
   93   2HB   GLN  12          2HB       GLN  12 -13.800   4.819  -6.304
   94   1HG   GLN  12          1HG       GLN  12 -13.476   7.737  -5.648
   95   2HG   GLN  12          2HG       GLN  12 -12.545   6.830  -6.837
   96   1HE2  GLN  12          1HE2      GLN  12 -14.893   5.343  -7.823
   97   2HE2  GLN  12          2HE2      GLN  12 -15.816   6.490  -8.711
   98    H    SER  13           H        SER  13 -15.759   5.057  -2.508
   99    HA   SER  13           HA       SER  13 -16.144   3.260  -1.286
  100   1HB   SER  13          1HB       SER  13 -17.404   2.171  -3.824
  101   2HB   SER  13          2HB       SER  13 -17.736   1.610  -2.184
  102    HG   SER  13           HG       SER  13 -19.005   3.251  -1.863
  103    H    GLY  14           H        GLY  14 -13.617   3.356  -2.156
  104   1HA   GLY  14          1HA       GLY  14 -12.886   0.552  -2.313
  105   2HA   GLY  14          2HA       GLY  14 -12.278   1.624  -3.578
  106    H    GLU  15           H        GLU  15 -12.792   1.896  -0.128
  107    HA   GLU  15           HA       GLU  15 -10.704   3.641   0.403
  108   1HB   GLU  15          1HB       GLU  15 -12.111   1.674   2.210
  109   2HB   GLU  15          2HB       GLU  15 -11.116   3.016   2.760
  110   1HG   GLU  15          1HG       GLU  15 -12.649   4.618   1.865
  111   2HG   GLU  15          2HG       GLU  15 -13.553   3.364   1.038
  112    H    TYR  16           H        TYR  16  -8.645   3.408   0.844
  113    HA   TYR  16           HA       TYR  16  -7.444   0.750   1.243
  114   1HB   TYR  16          1HB       TYR  16  -7.319   1.524  -1.160
  115   2HB   TYR  16          2HB       TYR  16  -6.516   2.976  -0.616
  116    HD1  TYR  16           HD1      TYR  16  -6.069  -0.757  -0.489
  117    HD2  TYR  16           HD2      TYR  16  -4.212   3.055  -0.851
  118    HE1  TYR  16           HE1      TYR  16  -3.917  -1.854  -0.985
  119    HE2  TYR  16           HE2      TYR  16  -2.054   1.975  -1.330
  120    HH   TYR  16           HH       TYR  16  -0.886  -0.097  -1.172
  121    H    GLU  17           H        GLU  17  -8.309   3.198   2.798
  122    HA   GLU  17           HA       GLU  17  -5.852   3.648   4.253
  123   1HB   GLU  17          1HB       GLU  17  -6.297   6.060   4.370
  124   2HB   GLU  17          2HB       GLU  17  -5.611   5.464   2.879
  125   1HG   GLU  17          1HG       GLU  17  -8.558   5.819   3.148
  126   2HG   GLU  17          2HG       GLU  17  -7.575   7.253   2.928
  127    H    ILE  18           H        ILE  18  -6.215   5.206   6.054
  128    HA   ILE  18           HA       ILE  18  -8.754   4.645   6.997
  129    HB   ILE  18           HB       ILE  18  -7.108   3.624   8.455
  130   1HG1  ILE  18          1HG1      ILE  18  -8.478   5.872   9.959
  131   2HG1  ILE  18          2HG1      ILE  18  -9.170   4.298   9.595
  132   1HG2  ILE  18          1HG2      ILE  18  -6.025   6.375   8.923
  133   2HG2  ILE  18          2HG2      ILE  18  -5.215   4.983   8.181
  134   3HG2  ILE  18          3HG2      ILE  18  -5.602   4.970   9.895
  135   1HD1  ILE  18          1HD1      ILE  18  -7.507   3.241  11.053
  136   2HD1  ILE  18          2HD1      ILE  18  -8.456   4.451  11.916
  137   3HD1  ILE  18          3HD1      ILE  18  -6.813   4.825  11.396
  138    H    HIS  19           H        HIS  19  -7.953   6.770   5.337
  139    HA   HIS  19           HA       HIS  19  -8.222   8.960   4.873
  140   1HB   HIS  19          1HB       HIS  19 -10.439   8.582   6.880
  141   2HB   HIS  19          2HB       HIS  19 -10.247  10.038   5.888
  142    HD1  HIS  19           HD1      HIS  19 -11.292   6.442   5.644
  143    HD2  HIS  19           HD2      HIS  19 -10.559   9.696   3.204
  144    HE1  HIS  19           HE1      HIS  19 -12.064   5.765   3.380
  145    H    MET  20           H        MET  20  -6.220   8.949   5.790
  146    HA   MET  20           HA       MET  20  -5.893  11.015   7.789
  147   1HB   MET  20          1HB       MET  20  -4.801   8.240   7.672
  148   2HB   MET  20          2HB       MET  20  -3.836   9.445   8.529
  149   1HG   MET  20          1HG       MET  20  -6.611   8.425   9.105
  150   2HG   MET  20          2HG       MET  20  -5.148   8.100  10.033
  151   1HE   MET  20          1HE       MET  20  -3.917   9.864  11.477
  152   2HE   MET  20          2HE       MET  20  -4.457  11.522  11.716
  153   3HE   MET  20          3HE       MET  20  -3.813  11.021  10.150
  154    H    LYS  21           H        LYS  21  -2.921  10.842   7.374
  155    HA   LYS  21           HA       LYS  21  -3.042  12.052   4.738
  156   1HB   LYS  21          1HB       LYS  21  -1.998  13.270   6.588
  157   2HB   LYS  21          2HB       LYS  21  -0.824  11.980   6.784
  158   1HG   LYS  21          1HG       LYS  21   0.158  12.503   4.660
  159   2HG   LYS  21          2HG       LYS  21  -1.107  13.697   4.336
  160   1HD   LYS  21          1HD       LYS  21  -0.409  15.015   6.221
  161   2HD   LYS  21          2HD       LYS  21   0.787  13.808   6.674
  162   1HE   LYS  21          1HE       LYS  21   1.857  15.660   5.553
  163   2HE   LYS  21          2HE       LYS  21   1.955  14.220   4.547
  164   1HZ   LYS  21          1HZ       LYS  21   1.397  16.202   3.300
  165   2HZ   LYS  21          2HZ       LYS  21  -0.022  16.404   4.206
  166   3HZ   LYS  21          3HZ       LYS  21   0.138  15.084   3.200
  167    H    ARG  22           H        ARG  22  -2.625  10.907   2.979
  168    HA   ARG  22           HA       ARG  22  -0.951   8.501   3.231
  169   1HB   ARG  22          1HB       ARG  22  -2.254   7.504   1.421
  170   2HB   ARG  22          2HB       ARG  22  -3.397   8.374   2.395
  171   1HG   ARG  22          1HG       ARG  22  -3.596  10.090   0.814
  172   2HG   ARG  22          2HG       ARG  22  -2.161   9.545  -0.055
  173   1HD   ARG  22          1HD       ARG  22  -4.749   7.995   0.196
  174   2HD   ARG  22          2HD       ARG  22  -4.186   8.883  -1.221
  175    HE   ARG  22           HE       ARG  22  -2.157   7.217  -0.869
  176   1HH1  ARG  22          1HH1      ARG  22  -5.621   6.301  -0.484
  177   2HH1  ARG  22          2HH1      ARG  22  -5.401   4.820  -1.209
  178   1HH2  ARG  22          1HH2      ARG  22  -1.912   5.274  -1.749
  179   2HH2  ARG  22          2HH2      ARG  22  -3.194   4.157  -2.037
  180    H    ALA  23           H        ALA  23   0.466   8.067   1.339
  181    HA   ALA  23           HA       ALA  23   1.003  10.298  -0.444
  182   1HB   ALA  23          1HB       ALA  23   3.115   9.534   1.578
  183   2HB   ALA  23          2HB       ALA  23   2.253  11.070   1.492
  184   3HB   ALA  23          3HB       ALA  23   3.377  10.614   0.211
  185    H    GLY  24           H        GLY  24   0.605   8.780  -2.108
  186   1HA   GLY  24          1HA       GLY  24   2.448   6.510  -2.272
  187   2HA   GLY  24          2HA       GLY  24   0.884   6.628  -3.047
  188    H    PHE  25           H        PHE  25   4.191   7.538  -3.126
  189    HA   PHE  25           HA       PHE  25   3.993   8.869  -5.683
  190   1HB   PHE  25          1HB       PHE  25   6.349   7.935  -4.063
  191   2HB   PHE  25          2HB       PHE  25   6.513   8.756  -5.606
  192    HD1  PHE  25           HD1      PHE  25   5.799  11.117  -5.809
  193    HD2  PHE  25           HD2      PHE  25   5.880   9.116  -2.057
  194    HE1  PHE  25           HE1      PHE  25   5.763  13.283  -4.661
  195    HE2  PHE  25           HE2      PHE  25   5.841  11.291  -0.899
  196    HZ   PHE  25           HZ       PHE  25   5.785  13.369  -2.200
  197    H    ARG  26           H        ARG  26   5.662   5.951  -4.633
  198    HA   ARG  26           HA       ARG  26   5.992   5.103  -7.383
  199   1HB   ARG  26          1HB       ARG  26   6.737   3.871  -4.763
  200   2HB   ARG  26          2HB       ARG  26   7.035   3.103  -6.305
  201   1HG   ARG  26          1HG       ARG  26   8.112   5.822  -5.672
  202   2HG   ARG  26          2HG       ARG  26   8.951   4.346  -5.190
  203   1HD   ARG  26          1HD       ARG  26   8.946   3.602  -7.492
  204   2HD   ARG  26          2HD       ARG  26   8.158   5.103  -7.989
  205    HE   ARG  26           HE       ARG  26  10.455   5.765  -6.550
  206   1HH1  ARG  26          1HH1      ARG  26   9.730   4.207  -9.625
  207   2HH1  ARG  26          2HH1      ARG  26  11.185   4.673 -10.381
  208   1HH2  ARG  26          1HH2      ARG  26  12.429   6.414  -7.559
  209   2HH2  ARG  26          2HH2      ARG  26  12.767   5.963  -9.169
  210    H    GLU  27           H        GLU  27   4.177   4.160  -4.566
  211    HA   GLU  27           HA       GLU  27   3.212   1.777  -5.791
  212   1HB   GLU  27          1HB       GLU  27   3.709   2.200  -3.325
  213   2HB   GLU  27          2HB       GLU  27   2.137   2.991  -3.325
  214   1HG   GLU  27          1HG       GLU  27   1.053   0.981  -3.972
  215   2HG   GLU  27          2HG       GLU  27   2.603   0.152  -4.136
  216    H    CYS  28           H        CYS  28   2.265   5.046  -6.102
  217    HA   CYS  28           HA       CYS  28  -0.445   5.115  -6.231
  218   1HB   CYS  28          1HB       CYS  28   0.954   7.026  -6.797
  219   2HB   CYS  28          2HB       CYS  28   1.547   6.203  -8.232
  220    HG   CYS  28           HG       CYS  28  -1.551   7.372  -7.633
  221    H    ALA  29           H        ALA  29   1.777   3.834  -8.672
  222    HA   ALA  29           HA       ALA  29  -0.253   3.171 -10.552
  223   1HB   ALA  29          1HB       ALA  29   2.056   3.632 -11.225
  224   2HB   ALA  29          2HB       ALA  29   1.522   2.039 -11.772
  225   3HB   ALA  29          3HB       ALA  29   2.582   2.182 -10.371
  226    H    ALA  30           H        ALA  30   1.397   1.429  -8.060
  227    HA   ALA  30           HA       ALA  30   0.572  -1.158  -8.589
  228   1HB   ALA  30          1HB       ALA  30   1.138  -1.604  -6.321
  229   2HB   ALA  30          2HB       ALA  30   1.054   0.114  -5.934
  230   3HB   ALA  30          3HB       ALA  30   2.310  -0.485  -7.017
  231    H    MET  31           H        MET  31  -0.940   1.362  -6.637
  232    HA   MET  31           HA       MET  31  -2.896  -0.397  -5.576
  233   1HB   MET  31          1HB       MET  31  -4.066   1.475  -4.689
  234   2HB   MET  31          2HB       MET  31  -2.348   1.721  -4.451
  235   1HG   MET  31          1HG       MET  31  -2.300   3.291  -6.298
  236   2HG   MET  31          2HG       MET  31  -4.011   3.010  -6.602
  237   1HE   MET  31          1HE       MET  31  -5.905   3.498  -4.777
  238   2HE   MET  31          2HE       MET  31  -5.613   4.388  -3.289
  239   3HE   MET  31          3HE       MET  31  -5.015   2.742  -3.449
  240    H    ILE  32           H        ILE  32  -2.813   1.462  -8.473
  241    HA   ILE  32           HA       ILE  32  -5.535   1.285  -9.157
  242    HB   ILE  32           HB       ILE  32  -3.099   1.355 -10.961
  243   1HG1  ILE  32          1HG1      ILE  32  -4.799   3.640  -9.917
  244   2HG1  ILE  32          2HG1      ILE  32  -3.184   3.235  -9.355
  245   1HG2  ILE  32          1HG2      ILE  32  -4.668   2.335 -12.634
  246   2HG2  ILE  32          2HG2      ILE  32  -6.002   2.057 -11.515
  247   3HG2  ILE  32          3HG2      ILE  32  -5.115   0.687 -12.184
  248   1HD1  ILE  32          1HD1      ILE  32  -2.293   3.753 -11.577
  249   2HD1  ILE  32          2HD1      ILE  32  -3.142   5.129 -10.873
  250   3HD1  ILE  32          3HD1      ILE  32  -3.917   4.161 -12.128
  251    H    GLU  33           H        GLU  33  -2.798  -0.867  -9.507
  252    HA   GLU  33           HA       GLU  33  -4.173  -2.781 -11.134
  253   1HB   GLU  33          1HB       GLU  33  -1.642  -3.132  -9.526
  254   2HB   GLU  33          2HB       GLU  33  -2.197  -4.100 -10.887
  255   1HG   GLU  33          1HG       GLU  33  -1.869  -2.208 -12.380
  256   2HG   GLU  33          2HG       GLU  33  -1.328  -1.226 -11.019
  257    H    LYS  34           H        LYS  34  -3.343  -2.375  -7.741
  258    HA   LYS  34           HA       LYS  34  -4.101  -4.905  -6.790
  259   1HB   LYS  34          1HB       LYS  34  -3.859  -2.232  -5.449
  260   2HB   LYS  34          2HB       LYS  34  -4.331  -3.665  -4.561
  261   1HG   LYS  34          1HG       LYS  34  -2.291  -4.627  -4.707
  262   2HG   LYS  34          2HG       LYS  34  -1.785  -3.747  -6.157
  263   1HD   LYS  34          1HD       LYS  34  -1.709  -1.697  -4.762
  264   2HD   LYS  34          2HD       LYS  34  -2.114  -2.701  -3.353
  265   1HE   LYS  34          1HE       LYS  34  -0.030  -3.931  -3.719
  266   2HE   LYS  34          2HE       LYS  34   0.326  -2.894  -5.094
  267   1HZ   LYS  34          1HZ       LYS  34   0.436  -0.999  -3.663
  268   2HZ   LYS  34          2HZ       LYS  34   1.374  -2.161  -2.904
  269   3HZ   LYS  34          3HZ       LYS  34  -0.170  -1.816  -2.377
  270    H    LYS  35           H        LYS  35  -5.913  -2.273  -7.806
  271    HA   LYS  35           HA       LYS  35  -8.288  -2.454  -6.349
  272   1HB   LYS  35          1HB       LYS  35  -7.733  -0.566  -7.712
  273   2HB   LYS  35          2HB       LYS  35  -7.659  -1.556  -9.152
  274   1HG   LYS  35          1HG       LYS  35 -10.086  -1.950  -8.939
  275   2HG   LYS  35          2HG       LYS  35 -10.108  -0.840  -7.566
  276   1HD   LYS  35          1HD       LYS  35  -9.289   0.954  -8.951
  277   2HD   LYS  35          2HD       LYS  35  -9.128  -0.145 -10.322
  278   1HE   LYS  35          1HE       LYS  35 -11.502  -0.506 -10.350
  279   2HE   LYS  35          2HE       LYS  35 -11.716   0.531  -8.940
  280   1HZ   LYS  35          1HZ       LYS  35 -10.691   1.387 -11.602
  281   2HZ   LYS  35          2HZ       LYS  35 -10.872   2.389 -10.261
  282   3HZ   LYS  35          3HZ       LYS  35 -12.217   1.708 -10.988
  283    H    ALA  36           H        ALA  36  -6.973  -4.475  -8.848
  284    HA   ALA  36           HA       ALA  36  -9.399  -5.605  -9.736
  285   1HB   ALA  36          1HB       ALA  36  -7.356  -5.724 -11.060
  286   2HB   ALA  36          2HB       ALA  36  -8.009  -7.337 -10.769
  287   3HB   ALA  36          3HB       ALA  36  -6.615  -6.766  -9.847
  288    H    ARG  37           H        ARG  37  -6.855  -6.873  -7.605
  289    HA   ARG  37           HA       ARG  37  -8.713  -8.007  -5.758
  290   1HB   ARG  37          1HB       ARG  37  -8.637  -9.692  -7.757
  291   2HB   ARG  37          2HB       ARG  37  -7.020 -10.057  -7.172
  292   1HG   ARG  37          1HG       ARG  37  -9.547 -10.397  -5.529
  293   2HG   ARG  37          2HG       ARG  37  -8.739 -11.691  -6.399
  294   1HD   ARG  37          1HD       ARG  37  -6.758 -11.402  -5.008
  295   2HD   ARG  37          2HD       ARG  37  -7.518 -10.043  -4.184
  296    HE   ARG  37           HE       ARG  37  -8.773 -12.679  -4.083
  297   1HH1  ARG  37          1HH1      ARG  37  -7.116 -10.025  -2.355
  298   2HH1  ARG  37          2HH1      ARG  37  -7.399 -10.681  -0.829
  299   1HH2  ARG  37          1HH2      ARG  37  -9.141 -13.536  -1.974
  300   2HH2  ARG  37          2HH2      ARG  37  -8.571 -12.704  -0.585
  301    H    ARG  38           H        ARG  38  -5.460  -8.793  -7.001
  302    HA   ARG  38           HA       ARG  38  -4.239  -7.496  -4.802
  303   1HB   ARG  38          1HB       ARG  38  -3.013  -9.427  -3.908
  304   2HB   ARG  38          2HB       ARG  38  -4.739  -9.703  -3.766
  305   1HG   ARG  38          1HG       ARG  38  -4.724 -11.296  -5.527
  306   2HG   ARG  38          2HG       ARG  38  -3.085 -10.848  -5.998
  307   1HD   ARG  38          1HD       ARG  38  -2.234 -11.670  -3.865
  308   2HD   ARG  38          2HD       ARG  38  -3.873 -12.082  -3.372
  309    HE   ARG  38           HE       ARG  38  -3.900 -13.719  -5.159
  310   1HH1  ARG  38          1HH1      ARG  38  -0.644 -12.487  -4.363
  311   2HH1  ARG  38          2HH1      ARG  38   0.111 -13.983  -4.646
  312   1HH2  ARG  38          1HH2      ARG  38  -2.775 -15.742  -5.603
  313   2HH2  ARG  38          2HH2      ARG  38  -1.094 -15.821  -5.359
  314    H    VAL  39           H        VAL  39  -2.281  -6.762  -5.517
  315    HA   VAL  39           HA       VAL  39  -0.997  -8.127  -7.747
  316    HB   VAL  39           HB       VAL  39  -1.829  -5.213  -7.816
  317   1HG1  VAL  39          1HG1      VAL  39  -0.655  -5.065  -9.999
  318   2HG1  VAL  39          2HG1      VAL  39  -0.138  -6.734  -9.821
  319   3HG1  VAL  39          3HG1      VAL  39   0.471  -5.507  -8.713
  320   1HG2  VAL  39          1HG2      VAL  39  -2.990  -5.808  -9.903
  321   2HG2  VAL  39          2HG2      VAL  39  -3.585  -6.746  -8.532
  322   3HG2  VAL  39          3HG2      VAL  39  -2.482  -7.483  -9.694
  323    H    VAL  40           H        VAL  40   1.188  -7.807  -7.808
  324    HA   VAL  40           HA       VAL  40   2.321  -6.310  -5.594
  325    HB   VAL  40           HB       VAL  40   3.033  -8.690  -5.626
  326   1HG1  VAL  40          1HG1      VAL  40   4.094  -8.139  -8.382
  327   2HG1  VAL  40          2HG1      VAL  40   2.745  -9.195  -7.959
  328   3HG1  VAL  40          3HG1      VAL  40   4.379  -9.603  -7.443
  329   1HG2  VAL  40          1HG2      VAL  40   5.485  -8.417  -5.740
  330   2HG2  VAL  40          2HG2      VAL  40   4.696  -7.145  -4.801
  331   3HG2  VAL  40          3HG2      VAL  40   5.251  -6.819  -6.442
  332    H    HIS  41           H        HIS  41   4.052  -4.848  -6.026
  333    HA   HIS  41           HA       HIS  41   4.490  -4.179  -8.807
  334   1HB   HIS  41          1HB       HIS  41   2.599  -2.837  -7.746
  335   2HB   HIS  41          2HB       HIS  41   3.797  -2.178  -6.655
  336    HD1  HIS  41           HD1      HIS  41   2.419  -1.818 -10.158
  337    HD2  HIS  41           HD2      HIS  41   5.405  -0.144  -7.762
  338    HE1  HIS  41           HE1      HIS  41   3.283   0.161 -11.379
  339    H    ILE  42           H        ILE  42   6.637  -3.849  -9.043
  340    HA   ILE  42           HA       ILE  42   8.326  -4.051  -6.722
  341    HB   ILE  42           HB       ILE  42   8.906  -5.262  -8.826
  342   1HG1  ILE  42          1HG1      ILE  42  10.957  -3.172  -8.031
  343   2HG1  ILE  42          2HG1      ILE  42  10.690  -4.706  -7.222
  344   1HG2  ILE  42          1HG2      ILE  42   9.823  -4.024 -10.756
  345   2HG2  ILE  42          2HG2      ILE  42   9.338  -2.512  -9.989
  346   3HG2  ILE  42          3HG2      ILE  42   8.115  -3.684 -10.477
  347   1HD1  ILE  42          1HD1      ILE  42  11.676  -4.349 -10.044
  348   2HD1  ILE  42          2HD1      ILE  42  11.420  -5.890  -9.227
  349   3HD1  ILE  42          3HD1      ILE  42  12.658  -4.777  -8.644
  350    H    LYS  43           H        LYS  43   9.677  -2.465  -5.918
  351    HA   LYS  43           HA       LYS  43  10.428  -0.403  -5.389
  352   1HB   LYS  43          1HB       LYS  43   9.604   0.403  -8.190
  353   2HB   LYS  43          2HB       LYS  43  10.509   1.418  -7.088
  354   1HG   LYS  43          1HG       LYS  43  12.358  -0.148  -7.159
  355   2HG   LYS  43          2HG       LYS  43  11.433  -1.203  -8.235
  356   1HD   LYS  43          1HD       LYS  43  11.330   0.551  -9.900
  357   2HD   LYS  43          2HD       LYS  43  12.194   1.649  -8.823
  358   1HE   LYS  43          1HE       LYS  43  14.118   0.142  -8.864
  359   2HE   LYS  43          2HE       LYS  43  13.260  -0.929  -9.972
  360   1HZ   LYS  43          1HZ       LYS  43  14.000   1.886 -10.496
  361   2HZ   LYS  43          2HZ       LYS  43  13.162   0.877 -11.558
  362   3HZ   LYS  43          3HZ       LYS  43  14.764   0.518 -11.146
  363    HA   PRO  44           HA       PRO  44   6.120   1.062  -4.715
  364   1HB   PRO  44          1HB       PRO  44   5.732   0.366  -2.165
  365   2HB   PRO  44          2HB       PRO  44   5.529  -0.824  -3.462
  366   1HG   PRO  44          1HG       PRO  44   7.939  -0.334  -1.736
  367   2HG   PRO  44          2HG       PRO  44   7.139  -1.880  -2.049
  368   1HD   PRO  44          1HD       PRO  44   9.313  -1.145  -3.427
  369   2HD   PRO  44          2HD       PRO  44   7.978  -2.022  -4.197
  370    H    GLY  45           H        GLY  45   5.412   2.677  -3.018
  371   1HA   GLY  45          1HA       GLY  45   7.259   3.918  -1.317
  372   2HA   GLY  45          2HA       GLY  45   7.208   4.758  -2.864
  373    H    GLU  46           H        GLU  46   4.726   3.171  -0.926
  374    HA   GLU  46           HA       GLU  46   3.330   5.737  -0.774
  375   1HB   GLU  46          1HB       GLU  46   1.973   4.501  -2.145
  376   2HB   GLU  46          2HB       GLU  46   2.287   2.986  -1.332
  377   1HG   GLU  46          1HG       GLU  46   0.011   3.587  -0.939
  378   2HG   GLU  46          2HG       GLU  46   0.880   3.850   0.566
  379    H    LYS  47           H        LYS  47   2.783   6.421   1.049
  380    HA   LYS  47           HA       LYS  47   3.308   4.749   3.377
  381   1HB   LYS  47          1HB       LYS  47   3.925   7.666   3.078
  382   2HB   LYS  47          2HB       LYS  47   4.199   6.656   4.490
  383   1HG   LYS  47          1HG       LYS  47   6.065   5.783   3.693
  384   2HG   LYS  47          2HG       LYS  47   5.375   5.560   2.082
  385   1HD   LYS  47          1HD       LYS  47   6.201   8.187   3.179
  386   2HD   LYS  47          2HD       LYS  47   7.271   7.120   2.212
  387   1HE   LYS  47          1HE       LYS  47   5.803   7.358   0.349
  388   2HE   LYS  47          2HE       LYS  47   4.604   8.211   1.312
  389   1HZ   LYS  47          1HZ       LYS  47   6.312   9.935   1.676
  390   2HZ   LYS  47          2HZ       LYS  47   5.799   9.779   0.063
  391   3HZ   LYS  47          3HZ       LYS  47   7.293   9.146   0.538
  392    H    ILE  48           H        ILE  48   1.355   4.464   2.936
  393    HA   ILE  48           HA       ILE  48  -0.709   6.369   3.156
  394    HB   ILE  48           HB       ILE  48  -2.174   4.336   3.733
  395   1HG1  ILE  48          1HG1      ILE  48   0.186   2.938   2.465
  396   2HG1  ILE  48          2HG1      ILE  48  -0.460   2.667   4.076
  397   1HG2  ILE  48          1HG2      ILE  48  -2.657   5.554   1.889
  398   2HG2  ILE  48          2HG2      ILE  48  -2.596   3.866   1.381
  399   3HG2  ILE  48          3HG2      ILE  48  -1.254   4.948   1.011
  400   1HD1  ILE  48          1HD1      ILE  48  -1.903   2.082   1.502
  401   2HD1  ILE  48          2HD1      ILE  48  -2.486   1.723   3.129
  402   3HD1  ILE  48          3HD1      ILE  48  -1.058   0.900   2.493
  403    H    LEU  49           H        LEU  49  -0.835   7.474   4.853
  404    HA   LEU  49           HA       LEU  49  -1.417   8.222   6.825
  405   1HB   LEU  49          1HB       LEU  49  -2.395   5.549   7.771
  406   2HB   LEU  49          2HB       LEU  49  -2.999   7.129   8.176
  407    HG   LEU  49           HG       LEU  49  -4.713   6.416   6.902
  408   1HD1  LEU  49          1HD1      LEU  49  -4.057   8.358   5.736
  409   2HD1  LEU  49          2HD1      LEU  49  -4.709   7.181   4.600
  410   3HD1  LEU  49          3HD1      LEU  49  -2.972   7.424   4.716
  411   1HD2  LEU  49          1HD2      LEU  49  -4.439   4.861   4.913
  412   2HD2  LEU  49          2HD2      LEU  49  -4.121   4.219   6.520
  413   3HD2  LEU  49          3HD2      LEU  49  -2.771   4.655   5.482
  414    H    GLY  50           H        GLY  50   1.005   6.322   6.484
  415   1HA   GLY  50          1HA       GLY  50   2.903   5.890   7.778
  416   2HA   GLY  50          2HA       GLY  50   2.111   6.730   9.111
  417    H    ALA  51           H        ALA  51   0.113   4.364   7.761
  418    HA   ALA  51           HA       ALA  51   0.936   2.044   9.184
  419   1HB   ALA  51          1HB       ALA  51  -0.996   1.981  10.718
  420   2HB   ALA  51          2HB       ALA  51  -1.463   3.597  10.192
  421   3HB   ALA  51          3HB       ALA  51   0.043   3.363  11.077
  422    H    ARG  52           H        ARG  52   0.151   0.419   7.916
  423    HA   ARG  52           HA       ARG  52  -1.642   1.157   5.819
  424   1HB   ARG  52          1HB       ARG  52   0.211  -0.399   5.385
  425   2HB   ARG  52          2HB       ARG  52  -0.556  -1.592   6.428
  426   1HG   ARG  52          1HG       ARG  52  -2.512  -1.612   4.924
  427   2HG   ARG  52          2HG       ARG  52  -1.688  -0.477   3.863
  428   1HD   ARG  52          1HD       ARG  52  -1.391  -2.651   2.950
  429   2HD   ARG  52          2HD       ARG  52   0.149  -2.157   3.648
  430    HE   ARG  52           HE       ARG  52  -1.708  -3.861   5.145
  431   1HH1  ARG  52          1HH1      ARG  52   1.556  -3.305   3.845
  432   2HH1  ARG  52          2HH1      ARG  52   2.178  -4.775   4.405
  433   1HH2  ARG  52          1HH2      ARG  52  -0.831  -5.947   5.850
  434   2HH2  ARG  52          2HH2      ARG  52   0.788  -6.325   5.516
  435    H    ILE  53           H        ILE  53  -3.546   1.638   6.659
  436    HA   ILE  53           HA       ILE  53  -5.125  -0.606   7.688
  437    HB   ILE  53           HB       ILE  53  -5.556   2.371   8.076
  438   1HG1  ILE  53          1HG1      ILE  53  -3.690   1.577   9.478
  439   2HG1  ILE  53          2HG1      ILE  53  -5.070   2.036  10.465
  440   1HG2  ILE  53          1HG2      ILE  53  -7.106   0.021   9.182
  441   2HG2  ILE  53          2HG2      ILE  53  -7.666   1.161   7.962
  442   3HG2  ILE  53          3HG2      ILE  53  -7.391   1.705   9.617
  443   1HD1  ILE  53          1HD1      ILE  53  -5.654  -0.339  10.706
  444   2HD1  ILE  53          2HD1      ILE  53  -4.044   0.032  11.315
  445   3HD1  ILE  53          3HD1      ILE  53  -4.229  -0.772   9.754
  446    H    ILE  54           H        ILE  54  -6.317  -1.313   6.038
  447    HA   ILE  54           HA       ILE  54  -6.726   0.179   3.646
  448    HB   ILE  54           HB       ILE  54  -8.103  -2.370   4.600
  449   1HG1  ILE  54          1HG1      ILE  54  -5.715  -2.034   2.767
  450   2HG1  ILE  54          2HG1      ILE  54  -5.622  -2.540   4.446
  451   1HG2  ILE  54          1HG2      ILE  54  -9.360  -1.282   2.800
  452   2HG2  ILE  54          2HG2      ILE  54  -8.628  -2.790   2.255
  453   3HG2  ILE  54          3HG2      ILE  54  -7.905  -1.249   1.801
  454   1HD1  ILE  54          1HD1      ILE  54  -5.427  -4.433   2.937
  455   2HD1  ILE  54          2HD1      ILE  54  -6.986  -4.035   2.211
  456   3HD1  ILE  54          3HD1      ILE  54  -6.904  -4.557   3.893
  457    H    GLY  55           H        GLY  55  -8.567  -0.355   6.530
  458   1HA   GLY  55          1HA       GLY  55 -10.180   1.214   7.328
  459   2HA   GLY  55          2HA       GLY  55 -10.449   1.732   5.664
  460    H    ILE  56           H        ILE  56 -10.457  -1.021   4.797
  461    HA   ILE  56           HA       ILE  56 -13.236  -1.654   5.424
  462    HB   ILE  56           HB       ILE  56 -11.381  -2.840   3.321
  463   1HG1  ILE  56          1HG1      ILE  56 -13.583  -0.798   2.943
  464   2HG1  ILE  56          2HG1      ILE  56 -11.866  -0.412   2.992
  465   1HG2  ILE  56          1HG2      ILE  56 -13.456  -3.724   2.319
  466   2HG2  ILE  56          2HG2      ILE  56 -14.378  -3.068   3.670
  467   3HG2  ILE  56          3HG2      ILE  56 -13.200  -4.348   3.950
  468   1HD1  ILE  56          1HD1      ILE  56 -13.217  -2.184   0.974
  469   2HD1  ILE  56          2HD1      ILE  56 -11.501  -1.775   1.007
  470   3HD1  ILE  56          3HD1      ILE  56 -12.702  -0.519   0.707
  471    HA   PRO  57           HA       PRO  57 -11.382  -4.703   8.245
  472   1HB   PRO  57          1HB       PRO  57 -14.149  -5.711   8.416
  473   2HB   PRO  57          2HB       PRO  57 -13.098  -5.121   9.704
  474   1HG   PRO  57          1HG       PRO  57 -15.190  -3.693   8.856
  475   2HG   PRO  57          2HG       PRO  57 -13.671  -2.910   9.335
  476   1HD   PRO  57          1HD       PRO  57 -14.724  -3.496   6.595
  477   2HD   PRO  57          2HD       PRO  57 -13.917  -2.037   7.220
  478    HA   PRO  58           HA       PRO  58 -11.747  -8.132   5.285
  479   1HB   PRO  58          1HB       PRO  58  -9.165  -8.463   4.829
  480   2HB   PRO  58          2HB       PRO  58 -10.008  -7.041   4.201
  481   1HG   PRO  58          1HG       PRO  58  -8.012  -7.208   6.375
  482   2HG   PRO  58          2HG       PRO  58  -8.515  -5.805   5.421
  483   1HD   PRO  58          1HD       PRO  58  -9.452  -6.652   8.058
  484   2HD   PRO  58          2HD       PRO  58  -9.759  -5.131   7.188
  485    H    VAL  59           H        VAL  59 -10.381 -10.224   5.209
  486    HA   VAL  59           HA       VAL  59 -10.418 -11.543   7.752
  487    HB   VAL  59           HB       VAL  59  -9.431 -12.504   5.031
  488   1HG1  VAL  59          1HG1      VAL  59  -8.545 -13.851   6.851
  489   2HG1  VAL  59          2HG1      VAL  59  -9.734 -14.767   5.924
  490   3HG1  VAL  59          3HG1      VAL  59 -10.173 -14.081   7.489
  491   1HG2  VAL  59          1HG2      VAL  59 -11.600 -13.612   4.804
  492   2HG2  VAL  59          2HG2      VAL  59 -11.793 -11.864   4.968
  493   3HG2  VAL  59          3HG2      VAL  59 -12.115 -12.919   6.340
  494    HA   PRO  60           HA       PRO  60  -6.163 -10.061   8.024
  495   1HB   PRO  60          1HB       PRO  60  -5.984 -10.719  10.784
  496   2HB   PRO  60          2HB       PRO  60  -6.321  -9.138  10.077
  497   1HG   PRO  60          1HG       PRO  60  -8.141 -10.642  11.551
  498   2HG   PRO  60          2HG       PRO  60  -8.561  -9.331  10.440
  499   1HD   PRO  60          1HD       PRO  60  -8.614 -12.293   9.980
  500   2HD   PRO  60          2HD       PRO  60  -9.746 -11.035   9.436
  501    H    ILE  61           H        ILE  61  -5.373 -11.804   6.739
  502    HA   ILE  61           HA       ILE  61  -3.771 -13.655   8.310
  503    HB   ILE  61           HB       ILE  61  -5.297 -14.277   5.733
  504   1HG1  ILE  61          1HG1      ILE  61  -5.520 -15.550   8.471
  505   2HG1  ILE  61          2HG1      ILE  61  -6.674 -14.420   7.779
  506   1HG2  ILE  61          1HG2      ILE  61  -4.326 -16.540   5.840
  507   2HG2  ILE  61          2HG2      ILE  61  -3.330 -16.034   7.204
  508   3HG2  ILE  61          3HG2      ILE  61  -3.092 -15.299   5.622
  509   1HD1  ILE  61          1HD1      ILE  61  -7.478 -16.702   7.633
  510   2HD1  ILE  61          2HD1      ILE  61  -6.026 -17.175   6.753
  511   3HD1  ILE  61          3HD1      ILE  61  -7.178 -16.058   6.017
  512    H    GLY  62           H        GLY  62  -1.650 -13.895   7.336
  513   1HA   GLY  62          1HA       GLY  62  -0.890 -13.215   4.826
  514   2HA   GLY  62          2HA       GLY  62  -0.968 -11.687   5.707
  515    H    ILE  63           H        ILE  63   1.385 -12.965   4.569
  516    HA   ILE  63           HA       ILE  63   2.959 -12.998   7.039
  517    HB   ILE  63           HB       ILE  63   3.511 -14.927   4.746
  518   1HG1  ILE  63          1HG1      ILE  63   3.085 -16.744   6.583
  519   2HG1  ILE  63          2HG1      ILE  63   2.166 -15.487   7.395
  520   1HG2  ILE  63          1HG2      ILE  63   4.817 -14.668   7.444
  521   2HG2  ILE  63          2HG2      ILE  63   5.512 -14.241   5.880
  522   3HG2  ILE  63          3HG2      ILE  63   5.168 -15.930   6.262
  523   1HD1  ILE  63          1HD1      ILE  63   0.681 -15.337   5.449
  524   2HD1  ILE  63          2HD1      ILE  63   0.717 -16.967   6.122
  525   3HD1  ILE  63          3HD1      ILE  63   1.611 -16.603   4.646
  526    H    ASP  64           H        ASP  64   4.817 -11.783   6.839
  527    HA   ASP  64           HA       ASP  64   5.352 -10.624   4.201
  528   1HB   ASP  64          1HB       ASP  64   6.068  -9.700   7.002
  529   2HB   ASP  64          2HB       ASP  64   6.851  -9.047   5.578
  530    H    GLU  65           H        GLU  65   6.806 -11.869   3.147
  531    HA   GLU  65           HA       GLU  65   8.676 -13.556   4.395
  532   1HB   GLU  65          1HB       GLU  65   8.312 -12.487   1.637
  533   2HB   GLU  65          2HB       GLU  65   9.840 -13.244   2.042
  534   1HG   GLU  65          1HG       GLU  65   8.183 -14.718   0.949
  535   2HG   GLU  65          2HG       GLU  65   8.794 -15.309   2.490
  536    H    GLU  66           H        GLU  66   9.115 -10.496   2.734
  537    HA   GLU  66           HA       GLU  66  11.051  -9.606   4.599
  538   1HB   GLU  66          1HB       GLU  66  12.066 -11.246   2.656
  539   2HB   GLU  66          2HB       GLU  66  12.110  -9.703   1.823
  540   1HG   GLU  66          1HG       GLU  66  13.487 -10.413   4.395
  541   2HG   GLU  66          2HG       GLU  66  14.229 -10.109   2.809
  542    H    ARG  67           H        ARG  67  11.801  -7.391   3.607
  543    HA   ARG  67           HA       ARG  67   9.441  -6.240   2.515
  544   1HB   ARG  67          1HB       ARG  67  10.574  -5.058   4.341
  545   2HB   ARG  67          2HB       ARG  67  12.018  -4.908   3.339
  546   1HG   ARG  67          1HG       ARG  67  10.594  -2.833   3.446
  547   2HG   ARG  67          2HG       ARG  67  10.935  -3.446   1.832
  548   1HD   ARG  67          1HD       ARG  67   8.597  -2.830   2.072
  549   2HD   ARG  67          2HD       ARG  67   8.883  -4.530   1.696
  550    HE   ARG  67           HE       ARG  67   8.387  -3.772   4.511
  551   1HH1  ARG  67          1HH1      ARG  67   7.244  -5.569   1.631
  552   2HH1  ARG  67          2HH1      ARG  67   6.152  -6.509   2.558
  553   1HH2  ARG  67          1HH2      ARG  67   6.923  -5.160   5.689
  554   2HH2  ARG  67          2HH2      ARG  67   6.000  -6.317   4.857
  555    H    SER  68           H        SER  68  12.670  -6.934   1.675
  556    HA   SER  68           HA       SER  68  12.354  -5.770  -0.945
  557   1HB   SER  68          1HB       SER  68  14.463  -5.460   0.298
  558   2HB   SER  68          2HB       SER  68  14.740  -7.197   0.308
  559    HG   SER  68           HG       SER  68  14.329  -5.733  -2.037
  560    H    THR  69           H        THR  69  10.696  -7.845  -0.178
  561    HA   THR  69           HA       THR  69  10.994  -9.670  -2.361
  562    HB   THR  69           HB       THR  69  10.716 -10.689   0.510
  563    HG1  THR  69           HG1      THR  69  12.898 -10.191  -1.044
  564   1HG2  THR  69          1HG2      THR  69   9.598 -12.133  -1.150
  565   2HG2  THR  69          2HG2      THR  69  11.008 -12.939  -0.467
  566   3HG2  THR  69          3HG2      THR  69  11.092 -12.233  -2.079
  567    H    VAL  70           H        VAL  70   8.812 -10.864  -2.444
  568    HA   VAL  70           HA       VAL  70   6.676  -9.013  -1.941
  569    HB   VAL  70           HB       VAL  70   5.208 -10.749  -2.817
  570   1HG1  VAL  70          1HG1      VAL  70   7.702 -10.485  -4.467
  571   2HG1  VAL  70          2HG1      VAL  70   6.421  -9.298  -4.324
  572   3HG1  VAL  70          3HG1      VAL  70   6.081 -10.868  -5.066
  573   1HG2  VAL  70          1HG2      VAL  70   6.283 -12.730  -1.866
  574   2HG2  VAL  70          2HG2      VAL  70   7.668 -12.507  -2.935
  575   3HG2  VAL  70          3HG2      VAL  70   6.089 -12.907  -3.610
  576    H    MET  71           H        MET  71   4.904  -9.418  -0.756
  577    HA   MET  71           HA       MET  71   5.296 -11.127   1.582
  578   1HB   MET  71          1HB       MET  71   4.038  -9.439   2.878
  579   2HB   MET  71          2HB       MET  71   5.492  -8.729   2.195
  580   1HG   MET  71          1HG       MET  71   4.105  -7.765   0.376
  581   2HG   MET  71          2HG       MET  71   2.673  -8.400   1.177
  582   1HE   MET  71          1HE       MET  71   1.557  -5.983   1.253
  583   2HE   MET  71          2HE       MET  71   2.953  -5.372   0.374
  584   3HE   MET  71          3HE       MET  71   2.398  -4.546   1.832
  585    H    ILE  72           H        ILE  72   3.342 -12.197   2.184
  586    HA   ILE  72           HA       ILE  72   1.336 -11.928   0.107
  587    HB   ILE  72           HB       ILE  72   2.467 -13.990  -0.295
  588   1HG1  ILE  72          1HG1      ILE  72   0.611 -15.656  -0.120
  589   2HG1  ILE  72          2HG1      ILE  72  -0.242 -14.540   0.937
  590   1HG2  ILE  72          1HG2      ILE  72   1.909 -14.799   2.528
  591   2HG2  ILE  72          2HG2      ILE  72   3.477 -14.445   1.803
  592   3HG2  ILE  72          3HG2      ILE  72   2.559 -15.856   1.276
  593   1HD1  ILE  72          1HD1      ILE  72   0.502 -14.023  -1.936
  594   2HD1  ILE  72          2HD1      ILE  72  -0.380 -12.917  -0.880
  595   3HD1  ILE  72          3HD1      ILE  72  -1.097 -14.459  -1.339
  596    HA   PRO  73           HA       PRO  73  -0.998 -11.367   3.850
  597   1HB   PRO  73          1HB       PRO  73  -2.307  -9.101   2.808
  598   2HB   PRO  73          2HB       PRO  73  -0.956  -9.104   3.948
  599   1HG   PRO  73          1HG       PRO  73  -0.882  -8.155   1.290
  600   2HG   PRO  73          2HG       PRO  73   0.508  -8.440   2.346
  601   1HD   PRO  73          1HD       PRO  73  -0.627 -10.162   0.196
  602   2HD   PRO  73          2HD       PRO  73   1.060  -9.978   0.736
  603    H    TYR  74           H        TYR  74  -2.777 -12.646   3.936
  604    HA   TYR  74           HA       TYR  74  -4.274 -12.782   1.488
  605   1HB   TYR  74          1HB       TYR  74  -3.419 -14.991   2.338
  606   2HB   TYR  74          2HB       TYR  74  -4.481 -14.757   3.741
  607    HD1  TYR  74           HD1      TYR  74  -6.680 -15.563   3.659
  608    HD2  TYR  74           HD2      TYR  74  -4.618 -14.768   0.026
  609    HE1  TYR  74           HE1      TYR  74  -8.616 -16.379   2.377
  610    HE2  TYR  74           HE2      TYR  74  -6.537 -15.586  -1.254
  611    HH   TYR  74           HH       TYR  74  -8.421 -17.066  -0.928
  612    H    THR  75           H        THR  75  -5.398 -11.018   1.783
  613    HA   THR  75           HA       THR  75  -7.145 -11.070   4.058
  614    HB   THR  75           HB       THR  75  -7.230  -8.559   3.728
  615    HG1  THR  75           HG1      THR  75  -4.847  -8.303   2.602
  616   1HG2  THR  75          1HG2      THR  75  -5.071  -8.136   4.846
  617   2HG2  THR  75          2HG2      THR  75  -4.530  -9.753   4.398
  618   3HG2  THR  75          3HG2      THR  75  -5.874  -9.555   5.521
  619    H    LYS  76           H        LYS  76  -9.292 -10.307   3.558
  620    HA   LYS  76           HA       LYS  76  -9.892 -10.204   0.696
  621   1HB   LYS  76          1HB       LYS  76 -11.606 -11.461   2.853
  622   2HB   LYS  76          2HB       LYS  76 -12.177 -11.124   1.229
  623   1HG   LYS  76          1HG       LYS  76 -10.426 -12.644   0.351
  624   2HG   LYS  76          2HG       LYS  76  -9.987 -13.035   2.014
  625   1HD   LYS  76          1HD       LYS  76 -12.230 -13.891   2.429
  626   2HD   LYS  76          2HD       LYS  76 -12.721 -13.444   0.795
  627   1HE   LYS  76          1HE       LYS  76 -11.073 -14.996  -0.126
  628   2HE   LYS  76          2HE       LYS  76 -10.572 -15.436   1.502
  629   1HZ   LYS  76          1HZ       LYS  76 -12.805 -16.314   1.892
  630   2HZ   LYS  76          2HZ       LYS  76 -12.074 -17.059   0.582
  631   3HZ   LYS  76          3HZ       LYS  76 -13.258 -15.905   0.319
  632    HA   PRO  77           HA       PRO  77 -11.565  -6.359   2.377
  633   1HB   PRO  77          1HB       PRO  77 -10.156  -4.809   0.490
  634   2HB   PRO  77          2HB       PRO  77  -9.687  -5.065   2.170
  635   1HG   PRO  77          1HG       PRO  77  -8.284  -5.972  -0.095
  636   2HG   PRO  77          2HG       PRO  77  -8.019  -6.490   1.576
  637   1HD   PRO  77          1HD       PRO  77  -9.570  -7.815  -0.600
  638   2HD   PRO  77          2HD       PRO  77  -8.602  -8.538   0.707
  639    H    CYS  78           H        CYS  78 -12.535  -4.460   0.856
  640    HA   CYS  78           HA       CYS  78 -13.918  -5.900  -1.257
  641   1HB   CYS  78          1HB       CYS  78 -15.287  -4.733   0.458
  642   2HB   CYS  78          2HB       CYS  78 -14.580  -3.206  -0.034
  643    HG   CYS  78           HG       CYS  78 -16.114  -2.739  -2.048
  644    H    TYR  79           H        TYR  79 -11.314  -3.917  -0.870
  645    HA   TYR  79           HA       TYR  79 -11.561  -2.807  -3.560
  646   1HB   TYR  79          1HB       TYR  79 -10.922  -1.167  -1.796
  647   2HB   TYR  79          2HB       TYR  79  -9.530  -2.153  -1.380
  648    HD1  TYR  79           HD1      TYR  79 -11.010  -0.213  -4.210
  649    HD2  TYR  79           HD2      TYR  79  -7.454  -1.709  -2.412
  650    HE1  TYR  79           HE1      TYR  79  -9.658   1.085  -5.807
  651    HE2  TYR  79           HE2      TYR  79  -6.095  -0.415  -4.006
  652    HH   TYR  79           HH       TYR  79  -6.360   0.550  -6.261
  653    H    GLY  80           H        GLY  80  -8.573  -3.770  -1.837
  654   1HA   GLY  80          1HA       GLY  80  -8.281  -6.182  -3.211
  655   2HA   GLY  80          2HA       GLY  80  -7.399  -4.889  -4.015
  656    H    THR  81           H        THR  81  -6.074  -6.940  -3.013
  657    HA   THR  81           HA       THR  81  -4.935  -6.120  -0.476
  658    HB   THR  81           HB       THR  81  -4.472  -8.602  -2.130
  659    HG1  THR  81           HG1      THR  81  -5.952  -8.511   0.295
  660   1HG2  THR  81          1HG2      THR  81  -3.796  -7.983   0.754
  661   2HG2  THR  81          2HG2      THR  81  -2.642  -8.104  -0.574
  662   3HG2  THR  81          3HG2      THR  81  -3.531  -9.533  -0.043
  663    H    ALA  82           H        ALA  82  -2.756  -5.777  -0.306
  664    HA   ALA  82           HA       ALA  82  -1.539  -4.815  -2.766
  665   1HB   ALA  82          1HB       ALA  82  -1.195  -3.965   0.095
  666   2HB   ALA  82          2HB       ALA  82  -2.105  -3.110  -1.149
  667   3HB   ALA  82          3HB       ALA  82  -0.354  -3.281  -1.292
  668    H    VAL  83           H        VAL  83   0.236  -5.907  -3.382
  669    HA   VAL  83           HA       VAL  83   1.965  -7.161  -1.360
  670    HB   VAL  83           HB       VAL  83   1.593  -7.943  -4.283
  671   1HG1  VAL  83          1HG1      VAL  83   2.914  -9.922  -3.682
  672   2HG1  VAL  83          2HG1      VAL  83   3.050  -9.323  -2.032
  673   3HG1  VAL  83          3HG1      VAL  83   3.804  -8.433  -3.353
  674   1HG2  VAL  83          1HG2      VAL  83  -0.441  -8.521  -3.068
  675   2HG2  VAL  83          2HG2      VAL  83   0.511  -9.351  -1.839
  676   3HG2  VAL  83          3HG2      VAL  83   0.457  -9.982  -3.484
  677    H    VAL  84           H        VAL  84   3.979  -6.214  -1.376
  678    HA   VAL  84           HA       VAL  84   4.616  -4.594  -3.715
  679    HB   VAL  84           HB       VAL  84   5.406  -2.700  -2.360
  680   1HG1  VAL  84          1HG1      VAL  84   3.449  -1.918  -1.254
  681   2HG1  VAL  84          2HG1      VAL  84   2.734  -3.527  -1.376
  682   3HG1  VAL  84          3HG1      VAL  84   3.122  -2.619  -2.838
  683   1HG2  VAL  84          1HG2      VAL  84   6.379  -3.961  -0.473
  684   2HG2  VAL  84          2HG2      VAL  84   4.760  -4.352   0.099
  685   3HG2  VAL  84          3HG2      VAL  84   5.310  -2.676   0.092
  686    H    GLU  85           H        GLU  85   6.797  -4.587  -4.271
  687    HA   GLU  85           HA       GLU  85   8.532  -6.232  -2.578
  688   1HB   GLU  85          1HB       GLU  85   7.681  -7.508  -4.579
  689   2HB   GLU  85          2HB       GLU  85   8.491  -6.307  -5.592
  690   1HG   GLU  85          1HG       GLU  85  10.616  -6.915  -4.412
  691   2HG   GLU  85          2HG       GLU  85   9.732  -8.254  -3.684
  692    H    LEU  86           H        LEU  86  10.083  -4.891  -1.958
  693    HA   LEU  86           HA       LEU  86  10.764  -2.670  -3.701
  694   1HB   LEU  86          1HB       LEU  86  10.282  -2.336  -1.281
  695   2HB   LEU  86          2HB       LEU  86  11.673  -3.333  -0.900
  696    HG   LEU  86           HG       LEU  86  13.040  -1.631  -2.190
  697   1HD1  LEU  86          1HD1      LEU  86  10.558   0.017  -1.856
  698   2HD1  LEU  86          2HD1      LEU  86  11.299  -0.493  -3.374
  699   3HD1  LEU  86          3HD1      LEU  86  12.144   0.631  -2.316
  700   1HD2  LEU  86          1HD2      LEU  86  11.676  -0.805   0.363
  701   2HD2  LEU  86          2HD2      LEU  86  13.188  -0.141  -0.258
  702   3HD2  LEU  86          3HD2      LEU  86  13.103  -1.834   0.227
  703    HA   PRO  87           HA       PRO  87  14.326  -5.202  -4.833
  704   1HB   PRO  87          1HB       PRO  87  15.652  -3.439  -6.379
  705   2HB   PRO  87          2HB       PRO  87  14.156  -4.211  -6.917
  706   1HG   PRO  87          1HG       PRO  87  14.581  -1.474  -5.802
  707   2HG   PRO  87          2HG       PRO  87  13.541  -1.991  -7.142
  708   1HD   PRO  87          1HD       PRO  87  12.658  -1.481  -4.596
  709   2HD   PRO  87          2HD       PRO  87  11.831  -2.567  -5.731
  710    H    VAL  88           H        VAL  88  14.369  -2.481  -2.920
  711    HA   VAL  88           HA       VAL  88  17.255  -2.553  -2.397
  712    HB   VAL  88           HB       VAL  88  15.249  -0.568  -1.336
  713   1HG1  VAL  88          1HG1      VAL  88  17.175   0.920  -1.039
  714   2HG1  VAL  88          2HG1      VAL  88  18.236  -0.353  -1.642
  715   3HG1  VAL  88          3HG1      VAL  88  17.344  -0.588  -0.139
  716   1HG2  VAL  88          1HG2      VAL  88  16.856  -0.293  -3.875
  717   2HG2  VAL  88          2HG2      VAL  88  15.927   1.000  -3.119
  718   3HG2  VAL  88          3HG2      VAL  88  15.102  -0.426  -3.751
  719    H    ASP  89           H        ASP  89  17.846  -2.642  -0.168
  720    HA   ASP  89           HA       ASP  89  16.591  -4.621   1.340
  721   1HB   ASP  89          1HB       ASP  89  18.624  -2.530   2.132
  722   2HB   ASP  89          2HB       ASP  89  18.149  -3.849   3.195
  723    HA   PRO  90           HA       PRO  90  13.362  -2.765   3.694
  724   1HB   PRO  90          1HB       PRO  90  13.924  -3.633   6.283
  725   2HB   PRO  90          2HB       PRO  90  13.058  -4.566   5.064
  726   1HG   PRO  90          1HG       PRO  90  15.944  -4.648   5.822
  727   2HG   PRO  90          2HG       PRO  90  14.846  -5.988   5.436
  728   1HD   PRO  90          1HD       PRO  90  16.624  -5.143   3.653
  729   2HD   PRO  90          2HD       PRO  90  14.988  -5.606   3.147
  730    H    GLU  91           H        GLU  91  16.552  -1.917   4.317
  731    HA   GLU  91           HA       GLU  91  16.411  -0.129   6.500
  732   1HB   GLU  91          1HB       GLU  91  18.490   0.821   5.547
  733   2HB   GLU  91          2HB       GLU  91  18.533  -0.934   5.653
  734   1HG   GLU  91          1HG       GLU  91  17.956  -1.069   3.271
  735   2HG   GLU  91          2HG       GLU  91  17.984   0.684   3.178
  736    H    GLU  92           H        GLU  92  15.396   0.083   3.223
  737    HA   GLU  92           HA       GLU  92  15.312   2.864   2.781
  738   1HB   GLU  92          1HB       GLU  92  14.976   1.051   1.078
  739   2HB   GLU  92          2HB       GLU  92  13.404   0.741   1.789
  740   1HG   GLU  92          1HG       GLU  92  12.962   2.043  -0.100
  741   2HG   GLU  92          2HG       GLU  92  12.861   3.165   1.254
  742    H    ILE  93           H        ILE  93  13.287   0.689   4.597
  743    HA   ILE  93           HA       ILE  93  10.923   2.184   4.756
  744    HB   ILE  93           HB       ILE  93  12.085   0.310   6.835
  745   1HG1  ILE  93          1HG1      ILE  93  10.019  -0.247   4.695
  746   2HG1  ILE  93          2HG1      ILE  93  11.716  -0.714   4.596
  747   1HG2  ILE  93          1HG2      ILE  93   9.250   1.315   6.514
  748   2HG2  ILE  93          2HG2      ILE  93  10.360   1.738   7.816
  749   3HG2  ILE  93          3HG2      ILE  93   9.772   0.083   7.663
  750   1HD1  ILE  93          1HD1      ILE  93  10.262  -2.575   5.312
  751   2HD1  ILE  93          2HD1      ILE  93   9.793  -1.617   6.715
  752   3HD1  ILE  93          3HD1      ILE  93  11.463  -2.138   6.527
  753    H    GLU  94           H        GLU  94  13.892   2.339   6.645
  754    HA   GLU  94           HA       GLU  94  12.988   3.977   8.745
  755   1HB   GLU  94          1HB       GLU  94  15.726   4.008   7.491
  756   2HB   GLU  94          2HB       GLU  94  15.308   4.484   9.129
  757   1HG   GLU  94          1HG       GLU  94  14.696   2.176   9.640
  758   2HG   GLU  94          2HG       GLU  94  15.127   1.709   7.997
  759    H    ARG  95           H        ARG  95  14.412   4.746   5.646
  760    HA   ARG  95           HA       ARG  95  14.432   7.570   5.822
  761   1HB   ARG  95          1HB       ARG  95  15.723   6.273   4.224
  762   2HB   ARG  95          2HB       ARG  95  14.256   5.628   3.527
  763   1HG   ARG  95          1HG       ARG  95  13.690   7.955   2.792
  764   2HG   ARG  95          2HG       ARG  95  15.313   8.432   3.331
  765   1HD   ARG  95          1HD       ARG  95  16.296   6.734   1.899
  766   2HD   ARG  95          2HD       ARG  95  14.694   6.246   1.384
  767    HE   ARG  95           HE       ARG  95  15.292   8.996   0.850
  768   1HH1  ARG  95          1HH1      ARG  95  15.427   5.645  -0.343
  769   2HH1  ARG  95          2HH1      ARG  95  15.708   6.090  -1.959
  770   1HH2  ARG  95          1HH2      ARG  95  15.686   9.584  -1.399
  771   2HH2  ARG  95          2HH2      ARG  95  15.833   8.344  -2.566
  772    H    ILE  96           H        ILE  96  12.251   5.215   4.425
  773    HA   ILE  96           HA       ILE  96  10.334   6.979   3.406
  774    HB   ILE  96           HB       ILE  96  10.483   4.069   3.953
  775   1HG1  ILE  96          1HG1      ILE  96  11.746   4.839   2.072
  776   2HG1  ILE  96          2HG1      ILE  96  10.416   3.842   1.496
  777   1HG2  ILE  96          1HG2      ILE  96   8.366   3.622   2.803
  778   2HG2  ILE  96          2HG2      ILE  96   8.047   5.351   2.747
  779   3HG2  ILE  96          3HG2      ILE  96   8.132   4.522   4.303
  780   1HD1  ILE  96          1HD1      ILE  96  10.726   5.748   0.053
  781   2HD1  ILE  96          2HD1      ILE  96  10.589   6.857   1.408
  782   3HD1  ILE  96          3HD1      ILE  96   9.189   5.907   0.901
  783    H    LEU  97           H        LEU  97  10.720   5.612   6.585
  784    HA   LEU  97           HA       LEU  97   8.073   6.076   7.456
  785   1HB   LEU  97          1HB       LEU  97   9.643   4.493   8.534
  786   2HB   LEU  97          2HB       LEU  97  10.604   5.846   9.084
  787    HG   LEU  97           HG       LEU  97   8.759   6.586  10.527
  788   1HD1  LEU  97          1HD1      LEU  97   6.799   5.146  10.851
  789   2HD1  LEU  97          2HD1      LEU  97   7.337   4.119   9.522
  790   3HD1  LEU  97          3HD1      LEU  97   6.869   5.791   9.214
  791   1HD2  LEU  97          1HD2      LEU  97   9.468   3.676  10.857
  792   2HD2  LEU  97          2HD2      LEU  97   8.853   4.741  12.122
  793   3HD2  LEU  97          3HD2      LEU  97  10.435   5.045  11.402
  794    H    GLU  98           H        GLU  98  10.934   8.051   7.303
  795    HA   GLU  98           HA       GLU  98   9.851  10.211   8.886
  796   1HB   GLU  98          1HB       GLU  98  12.311   9.865   8.513
  797   2HB   GLU  98          2HB       GLU  98  12.035  10.234   6.817
  798   1HG   GLU  98          1HG       GLU  98  11.331  12.478   7.336
  799   2HG   GLU  98          2HG       GLU  98  11.464  12.159   9.061
  800    H    VAL  99           H        VAL  99  10.171   9.324   5.587
  801    HA   VAL  99           HA       VAL  99   8.998  11.693   4.476
  802    HB   VAL  99           HB       VAL  99   9.817   9.036   3.272
  803   1HG1  VAL  99          1HG1      VAL  99   9.897  10.226   1.083
  804   2HG1  VAL  99          2HG1      VAL  99   9.302  11.690   1.863
  805   3HG1  VAL  99          3HG1      VAL  99   8.263  10.271   1.752
  806   1HG2  VAL  99          1HG2      VAL  99  11.662  10.185   4.289
  807   2HG2  VAL  99          2HG2      VAL  99  11.293  11.648   3.368
  808   3HG2  VAL  99          3HG2      VAL  99  11.823  10.186   2.534
  809    H    ALA 100           H        ALA 100   7.640   9.365   6.207
  810    HA   ALA 100           HA       ALA 100   5.519   8.171   4.847
  811   1HB   ALA 100          1HB       ALA 100   5.528   9.097   7.708
  812   2HB   ALA 100          2HB       ALA 100   6.186   7.568   7.127
  813   3HB   ALA 100          3HB       ALA 100   4.455   7.890   7.001
  814    H    GLU 101           H        GLU 101   5.676  11.251   6.447
  815    HA   GLU 101           HA       GLU 101   3.208  11.928   5.122
  816   1HB   GLU 101          1HB       GLU 101   3.989  12.581   7.958
  817   2HB   GLU 101          2HB       GLU 101   2.644  13.328   7.120
  818   1HG   GLU 101          1HG       GLU 101   1.561  11.149   6.920
  819   2HG   GLU 101          2HG       GLU 101   2.930  10.397   7.743
  820    HA   PRO 102           HA       PRO 102   6.336  15.100   4.112
  821   1HB   PRO 102          1HB       PRO 102   4.716  15.343   1.663
  822   2HB   PRO 102          2HB       PRO 102   6.430  14.929   1.823
  823   1HG   PRO 102          1HG       PRO 102   4.668  13.042   1.070
  824   2HG   PRO 102          2HG       PRO 102   5.989  12.673   2.204
  825   1HD   PRO 102          1HD       PRO 102   3.144  13.355   2.835
  826   2HD   PRO 102          2HD       PRO 102   4.112  11.946   3.349
  Start of MODEL   19
    1    H    HIS   1           H        HIS   1   3.776   6.270 -12.100
    2    HA   HIS   1           HA       HIS   1   1.429   7.988 -11.748
    3   1HB   HIS   1          1HB       HIS   1   1.759   4.989 -11.436
    4   2HB   HIS   1          2HB       HIS   1   0.386   5.885 -10.802
    5    HD1  HIS   1           HD1      HIS   1  -1.568   6.222 -12.420
    6    HD2  HIS   1           HD2      HIS   1   1.961   5.097 -14.322
    7    HE1  HIS   1           HE1      HIS   1  -2.164   5.798 -14.821
    8    H    MET   2           H        MET   2   0.875   8.404  -9.689
    9    HA   MET   2           HA       MET   2   2.132   7.501  -7.362
   10   1HB   MET   2          1HB       MET   2   3.101   9.780  -6.805
   11   2HB   MET   2          2HB       MET   2   4.081   8.714  -7.809
   12   1HG   MET   2          1HG       MET   2   3.310  10.010  -9.793
   13   2HG   MET   2          2HG       MET   2   2.452  11.099  -8.707
   14   1HE   MET   2          1HE       MET   2   4.786  11.818 -10.944
   15   2HE   MET   2          2HE       MET   2   5.622  13.103 -10.077
   16   3HE   MET   2          3HE       MET   2   3.861  13.037 -10.071
   17    H    THR   3           H        THR   3   0.774   7.950  -5.783
   18    HA   THR   3           HA       THR   3  -1.294   9.892  -6.430
   19    HB   THR   3           HB       THR   3  -2.207   7.688  -6.516
   20    HG1  THR   3           HG1      THR   3  -3.502   8.105  -4.266
   21   1HG2  THR   3          1HG2      THR   3  -2.331   6.224  -4.520
   22   2HG2  THR   3          2HG2      THR   3  -1.317   7.369  -3.642
   23   3HG2  THR   3          3HG2      THR   3  -0.665   6.502  -5.032
   24    H    PHE   4           H        PHE   4  -1.636  11.448  -5.185
   25    HA   PHE   4           HA       PHE   4  -0.727  11.349  -2.417
   26   1HB   PHE   4          1HB       PHE   4  -0.502  13.739  -4.296
   27   2HB   PHE   4          2HB       PHE   4  -0.005  13.696  -2.602
   28    HD1  PHE   4           HD1      PHE   4   0.874  12.851  -5.993
   29    HD2  PHE   4           HD2      PHE   4   1.860  12.268  -1.915
   30    HE1  PHE   4           HE1      PHE   4   3.030  11.897  -6.653
   31    HE2  PHE   4           HE2      PHE   4   4.021  11.325  -2.569
   32    HZ   PHE   4           HZ       PHE   4   4.594  11.098  -4.920
   33    H    CYS   5           H        CYS   5  -3.312  10.949  -3.821
   34    HA   CYS   5           HA       CYS   5  -4.924  12.855  -2.278
   35   1HB   CYS   5          1HB       CYS   5  -5.492  11.871  -5.084
   36   2HB   CYS   5          2HB       CYS   5  -6.629  12.770  -4.086
   37    HG   CYS   5           HG       CYS   5  -4.005  13.829  -5.865
   38    H    LEU   6           H        LEU   6  -5.434  11.662  -0.629
   39    HA   LEU   6           HA       LEU   6  -5.852   8.909  -1.092
   40   1HB   LEU   6          1HB       LEU   6  -5.836   8.497   1.208
   41   2HB   LEU   6          2HB       LEU   6  -4.624   9.685   0.883
   42    HG   LEU   6           HG       LEU   6  -5.475  10.140   2.945
   43   1HD1  LEU   6          1HD1      LEU   6  -6.722  12.124   1.110
   44   2HD1  LEU   6          2HD1      LEU   6  -5.104  12.153   1.819
   45   3HD1  LEU   6          3HD1      LEU   6  -6.524  12.350   2.846
   46   1HD2  LEU   6          1HD2      LEU   6  -8.268   9.938   1.859
   47   2HD2  LEU   6          2HD2      LEU   6  -7.900  10.557   3.461
   48   3HD2  LEU   6          3HD2      LEU   6  -7.492   8.889   3.047
   49    H    GLU   7           H        GLU   7  -7.896  11.607  -0.127
   50    HA   GLU   7           HA       GLU   7 -10.097   9.902   0.263
   51   1HB   GLU   7          1HB       GLU   7  -9.986  11.785   1.644
   52   2HB   GLU   7          2HB       GLU   7  -9.825  12.911   0.330
   53   1HG   GLU   7          1HG       GLU   7 -12.176  12.456  -0.286
   54   2HG   GLU   7          2HG       GLU   7 -12.280  11.299   1.037
   55    H    THR   8           H        THR   8  -8.667  10.762  -2.407
   56    HA   THR   8           HA       THR   8 -10.958  11.254  -4.076
   57    HB   THR   8           HB       THR   8  -8.155  10.445  -4.911
   58    HG1  THR   8           HG1      THR   8  -9.216  12.760  -3.943
   59   1HG2  THR   8          1HG2      THR   8  -9.849  10.120  -6.679
   60   2HG2  THR   8          2HG2      THR   8  -8.754  11.442  -7.086
   61   3HG2  THR   8          3HG2      THR   8 -10.374  11.792  -6.481
   62    H    TYR   9           H        TYR   9  -9.158   8.526  -2.830
   63    HA   TYR   9           HA       TYR   9 -10.306   6.678  -4.683
   64   1HB   TYR   9          1HB       TYR   9  -8.778   6.257  -2.124
   65   2HB   TYR   9          2HB       TYR   9  -9.484   4.920  -3.028
   66    HD1  TYR   9           HD1      TYR   9  -6.646   6.984  -2.655
   67    HD2  TYR   9           HD2      TYR   9  -8.849   4.775  -5.532
   68    HE1  TYR   9           HE1      TYR   9  -4.680   6.921  -4.107
   69    HE2  TYR   9           HE2      TYR   9  -6.883   4.707  -7.002
   70    HH   TYR   9           HH       TYR   9  -3.844   5.425  -5.892
   71    H    LEU  10           H        LEU  10 -11.273   8.125  -1.761
   72    HA   LEU  10           HA       LEU  10 -13.259   6.239  -1.037
   73   1HB   LEU  10          1HB       LEU  10 -12.365   7.871   0.558
   74   2HB   LEU  10          2HB       LEU  10 -12.998   9.184  -0.409
   75    HG   LEU  10           HG       LEU  10 -15.297   8.351   0.065
   76   1HD1  LEU  10          1HD1      LEU  10 -15.640   6.793   1.901
   77   2HD1  LEU  10          2HD1      LEU  10 -13.903   6.532   2.015
   78   3HD1  LEU  10          3HD1      LEU  10 -14.777   6.035   0.564
   79   1HD2  LEU  10          1HD2      LEU  10 -14.355  10.196   1.324
   80   2HD2  LEU  10          2HD2      LEU  10 -13.602   9.067   2.448
   81   3HD2  LEU  10          3HD2      LEU  10 -15.361   9.192   2.366
   82    H    GLN  11           H        GLN  11 -12.940   8.642  -3.379
   83    HA   GLN  11           HA       GLN  11 -15.764   8.984  -3.882
   84   1HB   GLN  11          1HB       GLN  11 -13.335  10.076  -5.300
   85   2HB   GLN  11          2HB       GLN  11 -14.992  10.548  -5.640
   86   1HG   GLN  11          1HG       GLN  11 -13.565  10.964  -3.021
   87   2HG   GLN  11          2HG       GLN  11 -13.739  12.176  -4.280
   88   1HE2  GLN  11          1HE2      GLN  11 -14.807  13.554  -2.945
   89   2HE2  GLN  11          2HE2      GLN  11 -16.428  13.315  -2.417
   90    H    GLN  12           H        GLN  12 -13.839   6.566  -4.370
   91    HA   GLN  12           HA       GLN  12 -14.813   5.892  -7.075
   92   1HB   GLN  12          1HB       GLN  12 -12.127   5.122  -5.898
   93   2HB   GLN  12          2HB       GLN  12 -12.731   4.702  -7.492
   94   1HG   GLN  12          1HG       GLN  12 -12.646   7.019  -8.177
   95   2HG   GLN  12          2HG       GLN  12 -12.176   7.506  -6.554
   96   1HE2  GLN  12          1HE2      GLN  12 -10.912   4.658  -8.203
   97   2HE2  GLN  12          2HE2      GLN  12  -9.315   5.263  -8.382
   98    H    SER  13           H        SER  13 -13.518   4.676  -3.990
   99    HA   SER  13           HA       SER  13 -15.486   2.589  -3.829
  100   1HB   SER  13          1HB       SER  13 -12.487   2.046  -3.864
  101   2HB   SER  13          2HB       SER  13 -13.739   0.844  -3.539
  102    HG   SER  13           HG       SER  13 -14.259   2.173  -5.775
  103    H    GLY  14           H        GLY  14 -13.966   1.331  -1.600
  104   1HA   GLY  14          1HA       GLY  14 -14.464   3.258   0.434
  105   2HA   GLY  14          2HA       GLY  14 -13.705   1.679   0.645
  106    H    GLU  15           H        GLU  15 -12.664   3.782   2.077
  107    HA   GLU  15           HA       GLU  15 -10.493   4.995   0.589
  108   1HB   GLU  15          1HB       GLU  15 -11.983   5.992   2.551
  109   2HB   GLU  15          2HB       GLU  15 -10.867   5.105   3.571
  110   1HG   GLU  15          1HG       GLU  15  -8.996   6.448   2.740
  111   2HG   GLU  15          2HG       GLU  15 -10.057   7.221   1.577
  112    H    TYR  16           H        TYR  16  -8.305   4.536   0.999
  113    HA   TYR  16           HA       TYR  16  -7.935   1.975   2.282
  114   1HB   TYR  16          1HB       TYR  16  -8.016   1.534  -0.012
  115   2HB   TYR  16          2HB       TYR  16  -7.144   2.986  -0.438
  116    HD1  TYR  16           HD1      TYR  16  -4.883   2.820  -0.982
  117    HD2  TYR  16           HD2      TYR  16  -6.708  -0.410   1.100
  118    HE1  TYR  16           HE1      TYR  16  -2.879   1.463  -1.353
  119    HE2  TYR  16           HE2      TYR  16  -4.684  -1.782   0.731
  120    HH   TYR  16           HH       TYR  16  -1.773  -0.347  -0.517
  121    H    GLU  17           H        GLU  17  -7.670   4.745   3.097
  122    HA   GLU  17           HA       GLU  17  -4.940   4.831   3.906
  123   1HB   GLU  17          1HB       GLU  17  -6.342   7.137   2.555
  124   2HB   GLU  17          2HB       GLU  17  -4.757   7.239   3.295
  125   1HG   GLU  17          1HG       GLU  17  -3.979   6.885   1.214
  126   2HG   GLU  17          2HG       GLU  17  -4.396   5.204   1.515
  127    H    ILE  18           H        ILE  18  -4.773   6.698   5.746
  128    HA   ILE  18           HA       ILE  18  -7.199   6.374   7.170
  129    HB   ILE  18           HB       ILE  18  -4.788   5.741   8.109
  130   1HG1  ILE  18          1HG1      ILE  18  -6.904   7.033   9.858
  131   2HG1  ILE  18          2HG1      ILE  18  -6.882   5.349   9.353
  132   1HG2  ILE  18          1HG2      ILE  18  -3.963   7.455   9.722
  133   2HG2  ILE  18          2HG2      ILE  18  -4.914   8.650   8.828
  134   3HG2  ILE  18          3HG2      ILE  18  -3.627   7.741   8.030
  135   1HD1  ILE  18          1HD1      ILE  18  -6.144   5.529  11.636
  136   2HD1  ILE  18          2HD1      ILE  18  -4.926   6.715  11.181
  137   3HD1  ILE  18          3HD1      ILE  18  -4.770   5.050  10.634
  138    H    HIS  19           H        HIS  19  -6.001   8.419   5.443
  139    HA   HIS  19           HA       HIS  19  -6.350  10.585   4.749
  140   1HB   HIS  19          1HB       HIS  19  -8.661  10.564   5.836
  141   2HB   HIS  19          2HB       HIS  19  -7.910  11.137   7.323
  142    HD1  HIS  19           HD1      HIS  19  -7.080  13.667   7.331
  143    HD2  HIS  19           HD2      HIS  19  -8.986  12.470   3.838
  144    HE1  HIS  19           HE1      HIS  19  -7.560  15.767   6.039
  145    H    MET  20           H        MET  20  -4.257  10.669   4.857
  146    HA   MET  20           HA       MET  20  -3.167  12.474   6.671
  147   1HB   MET  20          1HB       MET  20  -3.151  10.000   7.650
  148   2HB   MET  20          2HB       MET  20  -1.785   9.820   6.578
  149   1HG   MET  20          1HG       MET  20  -2.079  11.693   8.866
  150   2HG   MET  20          2HG       MET  20  -1.195  10.168   8.820
  151   1HE   MET  20          1HE       MET  20   0.989  11.416   9.821
  152   2HE   MET  20          2HE       MET  20   0.088  12.928   9.854
  153   3HE   MET  20          3HE       MET  20   1.689  12.871   9.111
  154    H    LYS  21           H        LYS  21  -0.565  12.249   5.874
  155    HA   LYS  21           HA       LYS  21  -0.838  12.831   3.115
  156   1HB   LYS  21          1HB       LYS  21   1.534  12.894   4.963
  157   2HB   LYS  21          2HB       LYS  21   1.603  13.376   3.266
  158   1HG   LYS  21          1HG       LYS  21  -0.024  15.097   3.626
  159   2HG   LYS  21          2HG       LYS  21  -0.270  14.567   5.287
  160   1HD   LYS  21          1HD       LYS  21   2.007  15.169   5.822
  161   2HD   LYS  21          2HD       LYS  21   2.273  15.674   4.142
  162   1HE   LYS  21          1HE       LYS  21   0.607  17.387   4.332
  163   2HE   LYS  21          2HE       LYS  21   0.150  16.839   5.941
  164   1HZ   LYS  21          1HZ       LYS  21   2.298  17.523   6.753
  165   2HZ   LYS  21          2HZ       LYS  21   1.515  18.803   5.993
  166   3HZ   LYS  21          3HZ       LYS  21   2.786  18.005   5.206
  167    H    ARG  22           H        ARG  22  -1.149  11.391   1.895
  168    HA   ARG  22           HA       ARG  22   0.153   8.864   2.063
  169   1HB   ARG  22          1HB       ARG  22  -1.547   8.077   0.526
  170   2HB   ARG  22          2HB       ARG  22  -2.294   9.025   1.772
  171   1HG   ARG  22          1HG       ARG  22  -1.714  10.030  -1.012
  172   2HG   ARG  22          2HG       ARG  22  -3.262   9.395  -0.504
  173   1HD   ARG  22          1HD       ARG  22  -3.526  11.730  -0.401
  174   2HD   ARG  22          2HD       ARG  22  -3.187  11.289   1.283
  175    HE   ARG  22           HE       ARG  22  -0.845  12.010  -0.176
  176   1HH1  ARG  22          1HH1      ARG  22  -3.514  13.419   1.753
  177   2HH1  ARG  22          2HH1      ARG  22  -2.736  14.892   1.959
  178   1HH2  ARG  22          1HH2      ARG  22   0.201  14.082   0.196
  179   2HH2  ARG  22          2HH2      ARG  22  -0.608  15.301   1.047
  180    H    ALA  23           H        ALA  23   1.936   8.535   0.878
  181    HA   ALA  23           HA       ALA  23   2.182  10.029  -1.568
  182   1HB   ALA  23          1HB       ALA  23   4.340   9.220   0.383
  183   2HB   ALA  23          2HB       ALA  23   3.802  10.864   0.028
  184   3HB   ALA  23          3HB       ALA  23   4.655   9.923  -1.198
  185    H    GLY  24           H        GLY  24   1.158   8.260  -2.578
  186   1HA   GLY  24          1HA       GLY  24   2.544   5.690  -2.363
  187   2HA   GLY  24          2HA       GLY  24   0.938   5.919  -3.058
  188    H    PHE  25           H        PHE  25   4.384   6.213  -3.573
  189    HA   PHE  25           HA       PHE  25   4.028   7.240  -6.191
  190   1HB   PHE  25          1HB       PHE  25   6.492   5.911  -5.062
  191   2HB   PHE  25          2HB       PHE  25   6.413   6.988  -6.445
  192    HD1  PHE  25           HD1      PHE  25   6.351   6.720  -2.846
  193    HD2  PHE  25           HD2      PHE  25   6.255   9.378  -6.136
  194    HE1  PHE  25           HE1      PHE  25   6.879   8.582  -1.323
  195    HE2  PHE  25           HE2      PHE  25   6.782  11.266  -4.621
  196    HZ   PHE  25           HZ       PHE  25   7.088  10.846  -2.204
  197    H    ARG  26           H        ARG  26   5.392   4.200  -5.022
  198    HA   ARG  26           HA       ARG  26   5.008   3.059  -7.638
  199   1HB   ARG  26          1HB       ARG  26   6.151   1.908  -5.144
  200   2HB   ARG  26          2HB       ARG  26   6.039   1.058  -6.670
  201   1HG   ARG  26          1HG       ARG  26   7.582   3.599  -6.218
  202   2HG   ARG  26          2HG       ARG  26   8.256   1.966  -6.191
  203   1HD   ARG  26          1HD       ARG  26   8.702   2.711  -8.360
  204   2HD   ARG  26          2HD       ARG  26   7.253   1.727  -8.508
  205    HE   ARG  26           HE       ARG  26   6.755   4.534  -8.128
  206   1HH1  ARG  26          1HH1      ARG  26   7.289   2.008 -10.535
  207   2HH1  ARG  26          2HH1      ARG  26   6.538   2.836 -11.806
  208   1HH2  ARG  26          1HH2      ARG  26   5.675   5.688  -9.859
  209   2HH2  ARG  26          2HH2      ARG  26   5.599   4.978 -11.403
  210    H    GLU  27           H        GLU  27   3.596   2.572  -4.368
  211    HA   GLU  27           HA       GLU  27   2.269   0.239  -5.160
  212   1HB   GLU  27          1HB       GLU  27   2.665   0.897  -2.782
  213   2HB   GLU  27          2HB       GLU  27   1.366   2.078  -2.957
  214   1HG   GLU  27          1HG       GLU  27  -0.152   0.259  -3.567
  215   2HG   GLU  27          2HG       GLU  27   1.163  -0.878  -3.273
  216    H    CYS  28           H        CYS  28   1.850   3.403  -5.879
  217    HA   CYS  28           HA       CYS  28  -0.912   3.826  -6.140
  218   1HB   CYS  28          1HB       CYS  28   0.751   5.608  -6.548
  219   2HB   CYS  28          2HB       CYS  28   1.233   4.800  -8.033
  220    HG   CYS  28           HG       CYS  28  -1.847   5.064  -8.542
  221    H    ALA  29           H        ALA  29   1.382   2.236  -8.323
  222    HA   ALA  29           HA       ALA  29  -0.551   1.806 -10.347
  223   1HB   ALA  29          1HB       ALA  29   2.080   0.410  -9.919
  224   2HB   ALA  29          2HB       ALA  29   1.841   1.889 -10.850
  225   3HB   ALA  29          3HB       ALA  29   1.116   0.374 -11.394
  226    H    ALA  30           H        ALA  30   0.489   0.066  -7.540
  227    HA   ALA  30           HA       ALA  30  -0.670  -2.440  -8.193
  228   1HB   ALA  30          1HB       ALA  30  -0.057  -1.443  -5.468
  229   2HB   ALA  30          2HB       ALA  30   1.156  -1.845  -6.654
  230   3HB   ALA  30          3HB       ALA  30   0.023  -3.109  -6.107
  231    H    MET  31           H        MET  31  -1.666   0.303  -6.230
  232    HA   MET  31           HA       MET  31  -3.828  -0.989  -5.064
  233   1HB   MET  31          1HB       MET  31  -4.647   1.240  -4.380
  234   2HB   MET  31          2HB       MET  31  -2.936   1.001  -4.059
  235   1HG   MET  31          1HG       MET  31  -2.426   2.264  -6.116
  236   2HG   MET  31          2HG       MET  31  -4.145   2.574  -6.309
  237   1HE   MET  31          1HE       MET  31  -0.996   3.152  -4.017
  238   2HE   MET  31          2HE       MET  31  -2.164   2.486  -2.876
  239   3HE   MET  31          3HE       MET  31  -1.681   4.178  -2.761
  240    H    ILE  32           H        ILE  32  -3.533   0.671  -8.046
  241    HA   ILE  32           HA       ILE  32  -6.235   0.904  -8.785
  242    HB   ILE  32           HB       ILE  32  -3.680   0.625 -10.380
  243   1HG1  ILE  32          1HG1      ILE  32  -5.288   3.092  -9.695
  244   2HG1  ILE  32          2HG1      ILE  32  -3.801   2.584  -8.902
  245   1HG2  ILE  32          1HG2      ILE  32  -5.592   0.047 -11.816
  246   2HG2  ILE  32          2HG2      ILE  32  -4.926   1.609 -12.298
  247   3HG2  ILE  32          3HG2      ILE  32  -6.412   1.538 -11.351
  248   1HD1  ILE  32          1HD1      ILE  32  -4.084   3.370 -11.793
  249   2HD1  ILE  32          2HD1      ILE  32  -2.590   2.870 -11.005
  250   3HD1  ILE  32          3HD1      ILE  32  -3.390   4.362 -10.511
  251    H    GLU  33           H        GLU  33  -3.981  -1.718  -8.768
  252    HA   GLU  33           HA       GLU  33  -5.614  -3.443 -10.449
  253   1HB   GLU  33          1HB       GLU  33  -3.038  -4.086  -9.020
  254   2HB   GLU  33          2HB       GLU  33  -3.787  -4.987 -10.329
  255   1HG   GLU  33          1HG       GLU  33  -2.577  -2.248 -10.516
  256   2HG   GLU  33          2HG       GLU  33  -1.871  -3.748 -11.109
  257    H    LYS  34           H        LYS  34  -4.568  -3.047  -7.123
  258    HA   LYS  34           HA       LYS  34  -5.343  -5.469  -5.949
  259   1HB   LYS  34          1HB       LYS  34  -4.971  -2.696  -4.898
  260   2HB   LYS  34          2HB       LYS  34  -5.598  -3.954  -3.855
  261   1HG   LYS  34          1HG       LYS  34  -3.690  -5.108  -3.823
  262   2HG   LYS  34          2HG       LYS  34  -2.998  -4.441  -5.305
  263   1HD   LYS  34          1HD       LYS  34  -2.862  -2.244  -4.034
  264   2HD   LYS  34          2HD       LYS  34  -3.365  -3.152  -2.595
  265   1HE   LYS  34          1HE       LYS  34  -1.312  -4.551  -2.931
  266   2HE   LYS  34          2HE       LYS  34  -0.868  -3.448  -4.227
  267   1HZ   LYS  34          1HZ       LYS  34   0.126  -2.825  -1.997
  268   2HZ   LYS  34          2HZ       LYS  34  -1.433  -2.440  -1.484
  269   3HZ   LYS  34          3HZ       LYS  34  -0.774  -1.652  -2.738
  270    H    LYS  35           H        LYS  35  -7.138  -2.751  -6.968
  271    HA   LYS  35           HA       LYS  35  -9.329  -2.956  -5.357
  272   1HB   LYS  35          1HB       LYS  35  -9.034  -0.982  -6.664
  273   2HB   LYS  35          2HB       LYS  35  -9.026  -1.901  -8.164
  274   1HG   LYS  35          1HG       LYS  35 -11.373  -2.476  -7.830
  275   2HG   LYS  35          2HG       LYS  35 -11.372  -1.573  -6.323
  276   1HD   LYS  35          1HD       LYS  35 -11.057   0.485  -7.469
  277   2HD   LYS  35          2HD       LYS  35 -10.761  -0.349  -9.000
  278   1HE   LYS  35          1HE       LYS  35 -13.064   0.594  -8.805
  279   2HE   LYS  35          2HE       LYS  35 -13.024  -1.138  -9.090
  280   1HZ   LYS  35          1HZ       LYS  35 -14.639  -0.577  -7.393
  281   2HZ   LYS  35          2HZ       LYS  35 -13.491   0.176  -6.450
  282   3HZ   LYS  35          3HZ       LYS  35 -13.416  -1.491  -6.714
  283    H    ALA  36           H        ALA  36  -8.266  -4.880  -8.052
  284    HA   ALA  36           HA       ALA  36 -10.751  -5.786  -8.862
  285   1HB   ALA  36          1HB       ALA  36  -8.828  -5.922 -10.339
  286   2HB   ALA  36          2HB       ALA  36  -9.529  -7.523 -10.109
  287   3HB   ALA  36          3HB       ALA  36  -8.053  -7.074  -9.253
  288    H    ARG  37           H        ARG  37  -8.172  -7.423  -7.102
  289    HA   ARG  37           HA       ARG  37 -10.031  -8.623  -5.278
  290   1HB   ARG  37          1HB       ARG  37  -8.533 -10.295  -7.264
  291   2HB   ARG  37          2HB       ARG  37  -9.003 -10.980  -5.711
  292   1HG   ARG  37          1HG       ARG  37 -10.817  -9.918  -7.882
  293   2HG   ARG  37          2HG       ARG  37 -10.533 -11.616  -7.493
  294   1HD   ARG  37          1HD       ARG  37 -11.489 -11.239  -5.251
  295   2HD   ARG  37          2HD       ARG  37 -11.780  -9.555  -5.682
  296    HE   ARG  37           HE       ARG  37 -12.969 -11.523  -7.410
  297   1HH1  ARG  37          1HH1      ARG  37 -13.406  -9.318  -4.689
  298   2HH1  ARG  37          2HH1      ARG  37 -15.103  -9.351  -4.712
  299   1HH2  ARG  37          1HH2      ARG  37 -15.331 -11.620  -7.437
  300   2HH2  ARG  37          2HH2      ARG  37 -16.224 -10.719  -6.300
  301    H    ARG  38           H        ARG  38  -6.692  -9.359  -6.369
  302    HA   ARG  38           HA       ARG  38  -5.601  -8.173  -4.044
  303   1HB   ARG  38          1HB       ARG  38  -4.611 -10.172  -3.075
  304   2HB   ARG  38          2HB       ARG  38  -6.352 -10.390  -3.147
  305   1HG   ARG  38          1HG       ARG  38  -6.163 -11.879  -4.986
  306   2HG   ARG  38          2HG       ARG  38  -4.434 -11.549  -5.141
  307   1HD   ARG  38          1HD       ARG  38  -4.126 -12.387  -2.867
  308   2HD   ARG  38          2HD       ARG  38  -5.830 -12.857  -2.831
  309    HE   ARG  38           HE       ARG  38  -4.213 -13.874  -5.005
  310   1HH1  ARG  38          1HH1      ARG  38  -5.853 -14.609  -1.957
  311   2HH1  ARG  38          2HH1      ARG  38  -5.416 -16.262  -1.974
  312   1HH2  ARG  38          1HH2      ARG  38  -3.660 -16.078  -5.040
  313   2HH2  ARG  38          2HH2      ARG  38  -4.150 -17.141  -3.794
  314    H    VAL  39           H        VAL  39  -3.733  -7.357  -4.712
  315    HA   VAL  39           HA       VAL  39  -2.338  -8.836  -6.777
  316    HB   VAL  39           HB       VAL  39  -2.998  -5.929  -6.987
  317   1HG1  VAL  39          1HG1      VAL  39  -0.800  -6.309  -7.996
  318   2HG1  VAL  39          2HG1      VAL  39  -1.954  -6.001  -9.296
  319   3HG1  VAL  39          3HG1      VAL  39  -1.436  -7.650  -8.944
  320   1HG2  VAL  39          1HG2      VAL  39  -4.277  -6.508  -9.053
  321   2HG2  VAL  39          2HG2      VAL  39  -4.924  -7.232  -7.581
  322   3HG2  VAL  39          3HG2      VAL  39  -3.968  -8.206  -8.695
  323    H    VAL  40           H        VAL  40  -0.215  -8.168  -7.033
  324    HA   VAL  40           HA       VAL  40   0.988  -6.992  -4.655
  325    HB   VAL  40           HB       VAL  40   1.445  -9.348  -4.707
  326   1HG1  VAL  40          1HG1      VAL  40   2.436  -8.963  -7.524
  327   2HG1  VAL  40          2HG1      VAL  40   0.981  -9.827  -7.027
  328   3HG1  VAL  40          3HG1      VAL  40   2.572 -10.456  -6.595
  329   1HG2  VAL  40          1HG2      VAL  40   3.911  -9.426  -4.903
  330   2HG2  VAL  40          2HG2      VAL  40   3.367  -7.994  -4.018
  331   3HG2  VAL  40          3HG2      VAL  40   3.879  -7.854  -5.694
  332    H    HIS  41           H        HIS  41   2.662  -5.577  -4.973
  333    HA   HIS  41           HA       HIS  41   3.187  -4.818  -7.774
  334   1HB   HIS  41          1HB       HIS  41   2.173  -3.177  -5.974
  335   2HB   HIS  41          2HB       HIS  41   3.858  -3.017  -5.535
  336    HD1  HIS  41           HD1      HIS  41   5.136  -1.207  -6.819
  337    HD2  HIS  41           HD2      HIS  41   1.885  -2.670  -8.967
  338    HE1  HIS  41           HE1      HIS  41   5.090   0.024  -9.016
  339    H    ILE  42           H        ILE  42   5.090  -5.163  -8.480
  340    HA   ILE  42           HA       ILE  42   7.117  -5.867  -6.566
  341    HB   ILE  42           HB       ILE  42   6.901  -7.281  -8.613
  342   1HG1  ILE  42          1HG1      ILE  42   9.521  -5.772  -8.614
  343   2HG1  ILE  42          2HG1      ILE  42   9.092  -7.015  -7.446
  344   1HG2  ILE  42          1HG2      ILE  42   7.571  -6.444 -10.812
  345   2HG2  ILE  42          2HG2      ILE  42   7.719  -4.820 -10.143
  346   3HG2  ILE  42          3HG2      ILE  42   6.143  -5.607 -10.198
  347   1HD1  ILE  42          1HD1      ILE  42  10.533  -7.902  -9.175
  348   2HD1  ILE  42          2HD1      ILE  42   9.388  -7.393 -10.418
  349   3HD1  ILE  42          3HD1      ILE  42   8.938  -8.647  -9.262
  350    H    LYS  43           H        LYS  43   8.746  -4.615  -6.088
  351    HA   LYS  43           HA       LYS  43   9.963  -2.724  -5.715
  352   1HB   LYS  43          1HB       LYS  43   8.996  -1.815  -8.450
  353   2HB   LYS  43          2HB       LYS  43  10.086  -0.891  -7.446
  354   1HG   LYS  43          1HG       LYS  43  11.745  -2.731  -7.695
  355   2HG   LYS  43          2HG       LYS  43  10.633  -3.506  -8.842
  356   1HD   LYS  43          1HD       LYS  43  10.677  -1.528 -10.267
  357   2HD   LYS  43          2HD       LYS  43  11.698  -0.691  -9.106
  358   1HE   LYS  43          1HE       LYS  43  13.035  -1.445 -10.960
  359   2HE   LYS  43          2HE       LYS  43  13.469  -2.351  -9.516
  360   1HZ   LYS  43          1HZ       LYS  43  13.304  -3.763 -11.456
  361   2HZ   LYS  43          2HZ       LYS  43  11.685  -3.361 -11.683
  362   3HZ   LYS  43          3HZ       LYS  43  12.182  -4.195 -10.305
  363    HA   PRO  44           HA       PRO  44   5.879  -0.507  -4.738
  364   1HB   PRO  44          1HB       PRO  44   5.892  -0.879  -2.045
  365   2HB   PRO  44          2HB       PRO  44   5.143  -2.033  -3.162
  366   1HG   PRO  44          1HG       PRO  44   7.898  -2.088  -1.973
  367   2HG   PRO  44          2HG       PRO  44   6.709  -3.401  -1.999
  368   1HD   PRO  44          1HD       PRO  44   8.630  -3.354  -3.803
  369   2HD   PRO  44          2HD       PRO  44   6.971  -3.746  -4.295
  370    H    GLY  45           H        GLY  45   5.736   1.390  -3.191
  371   1HA   GLY  45          1HA       GLY  45   7.970   2.475  -1.943
  372   2HA   GLY  45          2HA       GLY  45   7.955   3.036  -3.624
  373    H    GLU  46           H        GLU  46   5.535   2.309  -1.277
  374    HA   GLU  46           HA       GLU  46   4.466   4.994  -1.701
  375   1HB   GLU  46          1HB       GLU  46   2.331   4.051  -1.346
  376   2HB   GLU  46          2HB       GLU  46   3.201   2.938  -2.338
  377   1HG   GLU  46          1HG       GLU  46   2.822   2.573   0.628
  378   2HG   GLU  46          2HG       GLU  46   1.886   1.775  -0.627
  379    H    LYS  47           H        LYS  47   4.001   6.144  -0.010
  380    HA   LYS  47           HA       LYS  47   4.249   5.020   2.581
  381   1HB   LYS  47          1HB       LYS  47   5.926   7.241   1.569
  382   2HB   LYS  47          2HB       LYS  47   5.308   7.372   3.220
  383   1HG   LYS  47          1HG       LYS  47   6.673   4.926   2.189
  384   2HG   LYS  47          2HG       LYS  47   7.564   6.232   2.967
  385   1HD   LYS  47          1HD       LYS  47   6.746   5.718   5.043
  386   2HD   LYS  47          2HD       LYS  47   5.178   5.224   4.454
  387   1HE   LYS  47          1HE       LYS  47   7.771   3.644   4.267
  388   2HE   LYS  47          2HE       LYS  47   6.508   3.392   5.461
  389   1HZ   LYS  47          1HZ       LYS  47   6.039   3.086   2.524
  390   2HZ   LYS  47          2HZ       LYS  47   4.994   2.713   3.756
  391   3HZ   LYS  47          3HZ       LYS  47   6.376   1.808   3.560
  392    H    ILE  48           H        ILE  48   2.291   4.850   2.448
  393    HA   ILE  48           HA       ILE  48   0.612   7.109   2.047
  394    HB   ILE  48           HB       ILE  48   0.095   4.180   2.535
  395   1HG1  ILE  48          1HG1      ILE  48  -0.191   5.840   0.032
  396   2HG1  ILE  48          2HG1      ILE  48   1.108   4.704   0.371
  397   1HG2  ILE  48          1HG2      ILE  48  -2.232   4.686   1.810
  398   2HG2  ILE  48          2HG2      ILE  48  -1.873   6.402   2.053
  399   3HG2  ILE  48          3HG2      ILE  48  -1.788   5.262   3.402
  400   1HD1  ILE  48          1HD1      ILE  48  -0.532   2.884   0.432
  401   2HD1  ILE  48          2HD1      ILE  48  -0.500   3.722  -1.115
  402   3HD1  ILE  48          3HD1      ILE  48  -1.807   4.040   0.034
  403    H    LEU  49           H        LEU  49   0.631   8.401   3.894
  404    HA   LEU  49           HA       LEU  49  -0.085   9.067   5.993
  405   1HB   LEU  49          1HB       LEU  49  -0.595   6.245   6.784
  406   2HB   LEU  49          2HB       LEU  49  -1.387   7.702   7.333
  407    HG   LEU  49           HG       LEU  49  -1.671   6.797   4.541
  408   1HD1  LEU  49          1HD1      LEU  49  -2.132   4.888   5.905
  409   2HD1  LEU  49          2HD1      LEU  49  -3.620   5.509   5.195
  410   3HD1  LEU  49          3HD1      LEU  49  -3.234   5.840   6.891
  411   1HD2  LEU  49          1HD2      LEU  49  -3.421   8.410   6.328
  412   2HD2  LEU  49          2HD2      LEU  49  -3.893   7.797   4.770
  413   3HD2  LEU  49          3HD2      LEU  49  -2.541   8.909   4.890
  414    H    GLY  50           H        GLY  50   2.354   6.995   5.290
  415   1HA   GLY  50          1HA       GLY  50   4.464   7.032   6.458
  416   2HA   GLY  50          2HA       GLY  50   3.571   7.170   7.982
  417    H    ALA  51           H        ALA  51   1.583   5.308   7.384
  418    HA   ALA  51           HA       ALA  51   2.839   2.738   6.961
  419   1HB   ALA  51          1HB       ALA  51   1.096   3.486   9.340
  420   2HB   ALA  51          2HB       ALA  51   2.800   3.038   9.418
  421   3HB   ALA  51          3HB       ALA  51   1.595   1.846   8.927
  422    H    ARG  52           H        ARG  52   1.431   1.492   5.748
  423    HA   ARG  52           HA       ARG  52  -0.704   2.919   4.554
  424   1HB   ARG  52          1HB       ARG  52   0.846   1.502   3.238
  425   2HB   ARG  52          2HB       ARG  52   0.323   0.098   4.136
  426   1HG   ARG  52          1HG       ARG  52  -1.581   1.672   2.419
  427   2HG   ARG  52          2HG       ARG  52  -0.542   0.418   1.750
  428   1HD   ARG  52          1HD       ARG  52  -2.634   0.096   3.897
  429   2HD   ARG  52          2HD       ARG  52  -2.713  -0.517   2.243
  430    HE   ARG  52           HE       ARG  52  -0.429  -1.591   3.277
  431   1HH1  ARG  52          1HH1      ARG  52  -3.825  -1.675   4.251
  432   2HH1  ARG  52          2HH1      ARG  52  -3.704  -3.203   4.997
  433   1HH2  ARG  52          1HH2      ARG  52  -0.278  -3.708   4.359
  434   2HH2  ARG  52          2HH2      ARG  52  -1.684  -4.362   5.048
  435    H    ILE  53           H        ILE  53  -2.420   3.184   5.646
  436    HA   ILE  53           HA       ILE  53  -3.478   0.951   7.109
  437    HB   ILE  53           HB       ILE  53  -3.772   3.902   7.645
  438   1HG1  ILE  53          1HG1      ILE  53  -1.583   3.115   8.366
  439   2HG1  ILE  53          2HG1      ILE  53  -2.566   3.494   9.771
  440   1HG2  ILE  53          1HG2      ILE  53  -4.994   3.273   9.723
  441   2HG2  ILE  53          2HG2      ILE  53  -4.943   1.595   9.189
  442   3HG2  ILE  53          3HG2      ILE  53  -5.833   2.791   8.247
  443   1HD1  ILE  53          1HD1      ILE  53  -1.982   0.742   8.694
  444   2HD1  ILE  53          2HD1      ILE  53  -3.004   1.099  10.086
  445   3HD1  ILE  53          3HD1      ILE  53  -1.283   1.479  10.138
  446    H    ILE  54           H        ILE  54  -5.658   0.574   6.551
  447    HA   ILE  54           HA       ILE  54  -6.701   1.860   4.137
  448    HB   ILE  54           HB       ILE  54  -7.753  -0.457   5.813
  449   1HG1  ILE  54          1HG1      ILE  54  -6.152  -0.521   3.249
  450   2HG1  ILE  54          2HG1      ILE  54  -5.508  -0.869   4.845
  451   1HG2  ILE  54          1HG2      ILE  54  -8.451   0.255   2.964
  452   2HG2  ILE  54          2HG2      ILE  54  -9.415   0.722   4.355
  453   3HG2  ILE  54          3HG2      ILE  54  -9.188  -0.990   3.978
  454   1HD1  ILE  54          1HD1      ILE  54  -5.976  -2.900   3.577
  455   2HD1  ILE  54          2HD1      ILE  54  -7.674  -2.420   3.455
  456   3HD1  ILE  54          3HD1      ILE  54  -6.974  -2.796   5.029
  457    H    GLY  55           H        GLY  55  -7.539   1.386   7.508
  458   1HA   GLY  55          1HA       GLY  55  -8.693   2.884   8.892
  459   2HA   GLY  55          2HA       GLY  55  -9.140   3.820   7.469
  460    H    ILE  56           H        ILE  56  -9.839   1.171   6.263
  461    HA   ILE  56           HA       ILE  56 -12.553   1.003   7.293
  462    HB   ILE  56           HB       ILE  56 -11.340   0.039   4.671
  463   1HG1  ILE  56          1HG1      ILE  56 -11.571   2.467   4.729
  464   2HG1  ILE  56          2HG1      ILE  56 -12.722   1.772   3.600
  465   1HG2  ILE  56          1HG2      ILE  56 -13.628  -0.503   3.967
  466   2HG2  ILE  56          2HG2      ILE  56 -14.224  -0.074   5.568
  467   3HG2  ILE  56          3HG2      ILE  56 -13.141  -1.452   5.372
  468   1HD1  ILE  56          1HD1      ILE  56 -14.494   2.048   5.277
  469   2HD1  ILE  56          2HD1      ILE  56 -13.725   3.574   4.849
  470   3HD1  ILE  56          3HD1      ILE  56 -13.325   2.786   6.374
  471    HA   PRO  57           HA       PRO  57 -10.823  -2.552   9.480
  472   1HB   PRO  57          1HB       PRO  57 -13.742  -3.021   9.892
  473   2HB   PRO  57          2HB       PRO  57 -12.426  -3.037  11.074
  474   1HG   PRO  57          1HG       PRO  57 -14.059  -0.958  10.954
  475   2HG   PRO  57          2HG       PRO  57 -12.317  -0.715  11.175
  476   1HD   PRO  57          1HD       PRO  57 -13.977  -0.365   8.718
  477   2HD   PRO  57          2HD       PRO  57 -12.625   0.615   9.326
  478    HA   PRO  58           HA       PRO  58 -11.922  -5.450   6.176
  479   1HB   PRO  58          1HB       PRO  58  -9.426  -6.352   5.792
  480   2HB   PRO  58          2HB       PRO  58  -9.971  -4.810   5.144
  481   1HG   PRO  58          1HG       PRO  58  -8.051  -5.329   7.301
  482   2HG   PRO  58          2HG       PRO  58  -8.345  -3.834   6.402
  483   1HD   PRO  58          1HD       PRO  58  -9.325  -4.618   9.023
  484   2HD   PRO  58          2HD       PRO  58  -9.415  -3.041   8.204
  485    H    VAL  59           H        VAL  59 -11.285  -7.807   5.910
  486    HA   VAL  59           HA       VAL  59 -11.764  -9.266   8.292
  487    HB   VAL  59           HB       VAL  59 -10.629 -10.264   5.646
  488   1HG1  VAL  59          1HG1      VAL  59 -11.465 -12.481   6.323
  489   2HG1  VAL  59          2HG1      VAL  59 -11.963 -11.812   7.877
  490   3HG1  VAL  59          3HG1      VAL  59 -10.253 -11.871   7.451
  491   1HG2  VAL  59          1HG2      VAL  59 -12.930 -10.919   5.098
  492   2HG2  VAL  59          2HG2      VAL  59 -12.798  -9.177   5.357
  493   3HG2  VAL  59          3HG2      VAL  59 -13.489 -10.204   6.609
  494    HA   PRO  60           HA       PRO  60  -7.544  -8.606   9.398
  495   1HB   PRO  60          1HB       PRO  60  -7.666  -9.265  11.999
  496   2HB   PRO  60          2HB       PRO  60  -8.360  -7.778  11.344
  497   1HG   PRO  60          1HG       PRO  60  -9.713 -10.263  12.215
  498   2HG   PRO  60          2HG       PRO  60 -10.305  -8.596  12.233
  499   1HD   PRO  60          1HD       PRO  60 -10.911 -10.590  10.323
  500   2HD   PRO  60          2HD       PRO  60 -11.281  -8.858  10.219
  501    H    ILE  61           H        ILE  61  -6.979 -10.548   7.903
  502    HA   ILE  61           HA       ILE  61  -5.620 -12.469   9.602
  503    HB   ILE  61           HB       ILE  61  -7.103 -13.051   6.994
  504   1HG1  ILE  61          1HG1      ILE  61  -7.668 -14.134   9.768
  505   2HG1  ILE  61          2HG1      ILE  61  -8.628 -12.918   8.939
  506   1HG2  ILE  61          1HG2      ILE  61  -5.013 -14.314   7.135
  507   2HG2  ILE  61          2HG2      ILE  61  -6.397 -15.395   7.294
  508   3HG2  ILE  61          3HG2      ILE  61  -5.475 -14.928   8.722
  509   1HD1  ILE  61          1HD1      ILE  61  -8.244 -15.776   8.064
  510   2HD1  ILE  61          2HD1      ILE  61  -9.204 -14.562   7.218
  511   3HD1  ILE  61          3HD1      ILE  61  -9.681 -15.098   8.830
  512    H    GLY  62           H        GLY  62  -3.461 -12.715   8.748
  513   1HA   GLY  62          1HA       GLY  62  -2.466 -12.621   6.434
  514   2HA   GLY  62          2HA       GLY  62  -3.012 -10.939   6.546
  515    H    ILE  63           H        ILE  63  -0.337 -11.803   6.112
  516    HA   ILE  63           HA       ILE  63   0.997 -10.532   8.354
  517    HB   ILE  63           HB       ILE  63   2.756 -12.292   8.181
  518   1HG1  ILE  63          1HG1      ILE  63   0.505 -13.962   7.055
  519   2HG1  ILE  63          2HG1      ILE  63   1.957 -13.460   6.203
  520   1HG2  ILE  63          1HG2      ILE  63   1.455 -12.070  10.219
  521   2HG2  ILE  63          2HG2      ILE  63   1.692 -13.787   9.891
  522   3HG2  ILE  63          3HG2      ILE  63   0.145 -13.024   9.526
  523   1HD1  ILE  63          1HD1      ILE  63   1.832 -15.333   8.560
  524   2HD1  ILE  63          2HD1      ILE  63   3.303 -14.825   7.726
  525   3HD1  ILE  63          3HD1      ILE  63   2.092 -15.781   6.874
  526    H    ASP  64           H        ASP  64   3.181  -9.968   7.807
  527    HA   ASP  64           HA       ASP  64   3.703  -9.716   4.917
  528   1HB   ASP  64          1HB       ASP  64   5.085  -8.307   7.256
  529   2HB   ASP  64          2HB       ASP  64   5.443  -8.056   5.564
  530    H    GLU  65           H        GLU  65   5.495 -10.799   4.088
  531    HA   GLU  65           HA       GLU  65   6.738 -12.676   5.915
  532   1HB   GLU  65          1HB       GLU  65   7.115 -12.298   2.942
  533   2HB   GLU  65          2HB       GLU  65   7.837 -13.589   3.893
  534   1HG   GLU  65          1HG       GLU  65   5.553 -14.348   4.486
  535   2HG   GLU  65          2HG       GLU  65   4.913 -13.123   3.396
  536    H    GLU  66           H        GLU  66   7.938 -10.406   3.517
  537    HA   GLU  66           HA       GLU  66   9.841  -9.294   5.322
  538   1HB   GLU  66          1HB       GLU  66  10.999 -11.366   4.360
  539   2HB   GLU  66          2HB       GLU  66  10.781 -10.652   2.767
  540   1HG   GLU  66          1HG       GLU  66  12.201  -8.779   3.421
  541   2HG   GLU  66          2HG       GLU  66  12.429  -9.505   5.010
  542    H    ARG  67           H        ARG  67  10.844  -7.478   4.043
  543    HA   ARG  67           HA       ARG  67   8.725  -6.270   2.547
  544   1HB   ARG  67          1HB       ARG  67  10.035  -4.947   4.119
  545   2HB   ARG  67          2HB       ARG  67  11.478  -5.236   3.155
  546   1HG   ARG  67          1HG       ARG  67  10.249  -2.964   2.935
  547   2HG   ARG  67          2HG       ARG  67  10.827  -3.778   1.485
  548   1HD   ARG  67          1HD       ARG  67   8.547  -2.868   1.269
  549   2HD   ARG  67          2HD       ARG  67   8.713  -4.604   0.993
  550    HE   ARG  67           HE       ARG  67   7.668  -3.565   3.566
  551   1HH1  ARG  67          1HH1      ARG  67   7.413  -5.827   0.824
  552   2HH1  ARG  67          2HH1      ARG  67   5.972  -6.538   1.332
  553   1HH2  ARG  67          1HH2      ARG  67   5.691  -4.552   4.305
  554   2HH2  ARG  67          2HH2      ARG  67   4.916  -5.772   3.454
  555    H    SER  68           H        SER  68  11.764  -7.668   1.851
  556    HA   SER  68           HA       SER  68  11.546  -7.080  -0.915
  557   1HB   SER  68          1HB       SER  68  13.738  -8.682  -0.557
  558   2HB   SER  68          2HB       SER  68  13.752  -6.914  -0.423
  559    HG   SER  68           HG       SER  68  13.780  -8.861   1.573
  560    H    THR  69           H        THR  69   9.553  -8.578   0.240
  561    HA   THR  69           HA       THR  69   9.537 -10.868  -1.391
  562    HB   THR  69           HB       THR  69   9.171 -10.892   1.561
  563    HG1  THR  69           HG1      THR  69  11.388 -11.254   0.131
  564   1HG2  THR  69          1HG2      THR  69   9.005 -13.241  -0.357
  565   2HG2  THR  69          2HG2      THR  69   7.666 -12.531   0.548
  566   3HG2  THR  69          3HG2      THR  69   8.940 -13.396   1.400
  567    H    VAL  70           H        VAL  70   7.048 -11.657  -0.942
  568    HA   VAL  70           HA       VAL  70   5.350  -9.343  -1.054
  569    HB   VAL  70           HB       VAL  70   3.582 -10.997  -1.386
  570   1HG1  VAL  70          1HG1      VAL  70   6.006 -11.479  -3.096
  571   2HG1  VAL  70          2HG1      VAL  70   4.745 -10.262  -3.333
  572   3HG1  VAL  70          3HG1      VAL  70   4.360 -11.974  -3.495
  573   1HG2  VAL  70          1HG2      VAL  70   4.117 -13.398  -1.590
  574   2HG2  VAL  70          2HG2      VAL  70   4.380 -12.781   0.042
  575   3HG2  VAL  70          3HG2      VAL  70   5.753 -13.062  -1.017
  576    H    MET  71           H        MET  71   3.516  -9.320   0.121
  577    HA   MET  71           HA       MET  71   3.791 -10.404   2.772
  578   1HB   MET  71          1HB       MET  71   2.606  -8.419   3.700
  579   2HB   MET  71          2HB       MET  71   4.025  -7.901   2.811
  580   1HG   MET  71          1HG       MET  71   2.547  -7.332   0.898
  581   2HG   MET  71          2HG       MET  71   1.156  -7.764   1.884
  582   1HE   MET  71          1HE       MET  71  -0.033  -5.440   1.611
  583   2HE   MET  71          2HE       MET  71   1.235  -5.024   0.469
  584   3HE   MET  71          3HE       MET  71   0.798  -3.892   1.747
  585    H    ILE  72           H        ILE  72   2.037 -11.798   3.206
  586    HA   ILE  72           HA       ILE  72  -0.097 -11.649   1.200
  587    HB   ILE  72           HB       ILE  72   0.957 -14.155   2.544
  588   1HG1  ILE  72          1HG1      ILE  72   2.430 -13.328   0.751
  589   2HG1  ILE  72          2HG1      ILE  72   1.673 -14.853   0.309
  590   1HG2  ILE  72          1HG2      ILE  72  -1.281 -13.863   0.532
  591   2HG2  ILE  72          2HG2      ILE  72  -1.451 -14.328   2.225
  592   3HG2  ILE  72          3HG2      ILE  72  -0.613 -15.394   1.099
  593   1HD1  ILE  72          1HD1      ILE  72   0.063 -13.621  -1.087
  594   2HD1  ILE  72          2HD1      ILE  72   1.730 -13.346  -1.584
  595   3HD1  ILE  72          3HD1      ILE  72   0.872 -12.111  -0.667
  596    HA   PRO  73           HA       PRO  73  -2.308 -11.515   4.922
  597   1HB   PRO  73          1HB       PRO  73  -3.529  -9.158   4.762
  598   2HB   PRO  73          2HB       PRO  73  -1.866  -9.350   5.304
  599   1HG   PRO  73          1HG       PRO  73  -2.817  -8.190   2.757
  600   2HG   PRO  73          2HG       PRO  73  -1.210  -8.075   3.492
  601   1HD   PRO  73          1HD       PRO  73  -2.162  -9.939   1.429
  602   2HD   PRO  73          2HD       PRO  73  -0.495  -9.624   1.966
  603    H    TYR  74           H        TYR  74  -4.758 -11.232   5.265
  604    HA   TYR  74           HA       TYR  74  -6.237 -11.574   2.846
  605   1HB   TYR  74          1HB       TYR  74  -6.290 -13.390   5.231
  606   2HB   TYR  74          2HB       TYR  74  -7.705 -13.259   4.178
  607    HD1  TYR  74           HD1      TYR  74  -7.506 -13.913   1.794
  608    HD2  TYR  74           HD2      TYR  74  -4.349 -14.625   4.559
  609    HE1  TYR  74           HE1      TYR  74  -6.497 -15.500   0.217
  610    HE2  TYR  74           HE2      TYR  74  -3.331 -16.223   2.984
  611    HH   TYR  74           HH       TYR  74  -3.964 -17.587   1.138
  612    H    THR  75           H        THR  75  -5.733  -9.328   4.225
  613    HA   THR  75           HA       THR  75  -8.074  -8.684   5.684
  614    HB   THR  75           HB       THR  75  -7.164  -6.423   5.596
  615    HG1  THR  75           HG1      THR  75  -5.947  -6.933   3.592
  616   1HG2  THR  75          1HG2      THR  75  -5.197  -6.897   7.082
  617   2HG2  THR  75          2HG2      THR  75  -5.289  -8.583   6.584
  618   3HG2  THR  75          3HG2      THR  75  -6.621  -7.856   7.476
  619    H    LYS  76           H        LYS  76  -9.766  -8.650   4.603
  620    HA   LYS  76           HA       LYS  76  -9.831  -7.600   1.876
  621   1HB   LYS  76          1HB       LYS  76 -11.879  -9.299   3.305
  622   2HB   LYS  76          2HB       LYS  76 -11.910  -8.855   1.603
  623   1HG   LYS  76          1HG       LYS  76  -9.860 -10.100   1.223
  624   2HG   LYS  76          2HG       LYS  76  -9.789 -10.534   2.928
  625   1HD   LYS  76          1HD       LYS  76 -10.681 -12.399   1.732
  626   2HD   LYS  76          2HD       LYS  76 -11.994 -11.664   2.651
  627   1HE   LYS  76          1HE       LYS  76 -12.741 -12.263   0.417
  628   2HE   LYS  76          2HE       LYS  76 -12.757 -10.513   0.615
  629   1HZ   LYS  76          1HZ       LYS  76 -11.825 -11.205  -1.512
  630   2HZ   LYS  76          2HZ       LYS  76 -10.615 -12.068  -0.739
  631   3HZ   LYS  76          3HZ       LYS  76 -10.657 -10.398  -0.613
  632    HA   PRO  77           HA       PRO  77 -12.052  -4.251   3.942
  633   1HB   PRO  77          1HB       PRO  77 -10.799  -2.294   2.678
  634   2HB   PRO  77          2HB       PRO  77  -9.936  -3.266   3.878
  635   1HG   PRO  77          1HG       PRO  77  -9.722  -3.297   0.918
  636   2HG   PRO  77          2HG       PRO  77  -8.496  -3.673   2.139
  637   1HD   PRO  77          1HD       PRO  77 -10.126  -5.502   0.683
  638   2HD   PRO  77          2HD       PRO  77  -8.951  -5.841   1.971
  639    H    CYS  78           H        CYS  78 -12.535  -2.012   2.455
  640    HA   CYS  78           HA       CYS  78 -14.595  -2.880   0.576
  641   1HB   CYS  78          1HB       CYS  78 -15.063  -1.331   2.524
  642   2HB   CYS  78          2HB       CYS  78 -14.012  -0.150   1.764
  643    HG   CYS  78           HG       CYS  78 -17.039  -0.083   1.598
  644    H    TYR  79           H        TYR  79 -11.778  -2.942  -0.018
  645    HA   TYR  79           HA       TYR  79 -11.696  -1.153  -2.332
  646   1HB   TYR  79          1HB       TYR  79 -10.437  -0.129  -0.422
  647   2HB   TYR  79          2HB       TYR  79  -9.364  -1.512  -0.426
  648    HD1  TYR  79           HD1      TYR  79  -7.639  -1.719  -2.105
  649    HD2  TYR  79           HD2      TYR  79 -10.418   1.484  -2.200
  650    HE1  TYR  79           HE1      TYR  79  -6.215  -0.570  -3.690
  651    HE2  TYR  79           HE2      TYR  79  -9.027   2.672  -3.792
  652    HH   TYR  79           HH       TYR  79  -6.639   2.733  -4.416
  653    H    GLY  80           H        GLY  80  -9.039  -3.114  -1.125
  654   1HA   GLY  80          1HA       GLY  80  -9.697  -5.521  -2.495
  655   2HA   GLY  80          2HA       GLY  80  -8.520  -4.554  -3.387
  656    H    THR  81           H        THR  81  -7.536  -6.903  -2.647
  657    HA   THR  81           HA       THR  81  -6.383  -6.653   0.010
  658    HB   THR  81           HB       THR  81  -6.021  -8.873  -2.009
  659    HG1  THR  81           HG1      THR  81  -8.251  -8.265  -0.887
  660   1HG2  THR  81          1HG2      THR  81  -5.603  -8.811   0.989
  661   2HG2  THR  81          2HG2      THR  81  -4.329  -8.836  -0.229
  662   3HG2  THR  81          3HG2      THR  81  -5.394 -10.228  -0.040
  663    H    ALA  82           H        ALA  82  -4.214  -6.278   0.314
  664    HA   ALA  82           HA       ALA  82  -2.849  -5.258  -1.983
  665   1HB   ALA  82          1HB       ALA  82  -1.770  -3.767  -0.393
  666   2HB   ALA  82          2HB       ALA  82  -2.717  -4.482   0.909
  667   3HB   ALA  82          3HB       ALA  82  -3.525  -3.596  -0.385
  668    H    VAL  83           H        VAL  83  -1.044  -6.275  -2.530
  669    HA   VAL  83           HA       VAL  83   0.644  -7.494  -0.494
  670    HB   VAL  83           HB       VAL  83   0.090  -8.484  -3.315
  671   1HG1  VAL  83          1HG1      VAL  83   2.364  -8.988  -2.550
  672   2HG1  VAL  83          2HG1      VAL  83   1.412 -10.468  -2.675
  673   3HG1  VAL  83          3HG1      VAL  83   1.709  -9.741  -1.097
  674   1HG2  VAL  83          1HG2      VAL  83  -0.808  -9.720  -0.714
  675   2HG2  VAL  83          2HG2      VAL  83  -0.992 -10.457  -2.305
  676   3HG2  VAL  83          3HG2      VAL  83  -1.840  -8.958  -1.924
  677    H    VAL  84           H        VAL  84   2.849  -6.843  -0.821
  678    HA   VAL  84           HA       VAL  84   3.564  -5.474  -3.301
  679    HB   VAL  84           HB       VAL  84   4.767  -3.659  -2.040
  680   1HG1  VAL  84          1HG1      VAL  84   2.619  -3.164  -2.938
  681   2HG1  VAL  84          2HG1      VAL  84   2.864  -2.324  -1.409
  682   3HG1  VAL  84          3HG1      VAL  84   1.840  -3.758  -1.474
  683   1HG2  VAL  84          1HG2      VAL  84   4.265  -3.245   0.320
  684   2HG2  VAL  84          2HG2      VAL  84   5.085  -4.791   0.104
  685   3HG2  VAL  84          3HG2      VAL  84   3.347  -4.750   0.392
  686    H    GLU  85           H        GLU  85   5.764  -5.910  -3.871
  687    HA   GLU  85           HA       GLU  85   7.431  -7.318  -1.922
  688   1HB   GLU  85          1HB       GLU  85   6.329  -9.044  -3.307
  689   2HB   GLU  85          2HB       GLU  85   6.969  -8.273  -4.759
  690   1HG   GLU  85          1HG       GLU  85   9.280  -8.705  -3.869
  691   2HG   GLU  85          2HG       GLU  85   8.524  -9.546  -2.537
  692    H    LEU  86           H        LEU  86   9.303  -6.298  -1.854
  693    HA   LEU  86           HA       LEU  86  10.060  -4.545  -4.088
  694   1HB   LEU  86          1HB       LEU  86   9.882  -3.742  -1.693
  695   2HB   LEU  86          2HB       LEU  86  11.225  -4.798  -1.322
  696    HG   LEU  86           HG       LEU  86  12.453  -3.446  -3.181
  697   1HD1  LEU  86          1HD1      LEU  86  10.539  -2.252  -4.002
  698   2HD1  LEU  86          2HD1      LEU  86  11.762  -1.152  -3.376
  699   3HD1  LEU  86          3HD1      LEU  86  10.316  -1.490  -2.429
  700   1HD2  LEU  86          1HD2      LEU  86  11.793  -2.319  -0.471
  701   2HD2  LEU  86          2HD2      LEU  86  13.135  -1.803  -1.481
  702   3HD2  LEU  86          3HD2      LEU  86  13.093  -3.451  -0.846
  703    HA   PRO  87           HA       PRO  87  13.337  -7.495  -4.821
  704   1HB   PRO  87          1HB       PRO  87  14.468  -6.368  -6.903
  705   2HB   PRO  87          2HB       PRO  87  12.782  -6.946  -7.002
  706   1HG   PRO  87          1HG       PRO  87  13.832  -4.170  -6.688
  707   2HG   PRO  87          2HG       PRO  87  12.483  -4.757  -7.679
  708   1HD   PRO  87          1HD       PRO  87  12.248  -3.604  -5.155
  709   2HD   PRO  87          2HD       PRO  87  11.020  -4.595  -5.963
  710    H    VAL  88           H        VAL  88  13.768  -4.752  -3.044
  711    HA   VAL  88           HA       VAL  88  16.649  -4.788  -3.271
  712    HB   VAL  88           HB       VAL  88  14.852  -2.603  -2.217
  713   1HG1  VAL  88          1HG1      VAL  88  17.095  -2.524  -1.308
  714   2HG1  VAL  88          2HG1      VAL  88  16.827  -1.140  -2.368
  715   3HG1  VAL  88          3HG1      VAL  88  17.776  -2.512  -2.937
  716   1HG2  VAL  88          1HG2      VAL  88  14.399  -2.760  -4.589
  717   2HG2  VAL  88          2HG2      VAL  88  16.123  -2.688  -4.950
  718   3HG2  VAL  88          3HG2      VAL  88  15.308  -1.285  -4.257
  719    H    ASP  89           H        ASP  89  17.521  -4.626  -1.114
  720    HA   ASP  89           HA       ASP  89  16.486  -6.332   0.766
  721   1HB   ASP  89          1HB       ASP  89  18.421  -4.075   0.976
  722   2HB   ASP  89          2HB       ASP  89  17.959  -4.996   2.411
  723    HA   PRO  90           HA       PRO  90  13.328  -4.208   2.986
  724   1HB   PRO  90          1HB       PRO  90  14.371  -5.019   5.597
  725   2HB   PRO  90          2HB       PRO  90  12.893  -5.534   4.792
  726   1HG   PRO  90          1HG       PRO  90  15.060  -7.135   5.141
  727   2HG   PRO  90          2HG       PRO  90  13.897  -7.328   3.814
  728   1HD   PRO  90          1HD       PRO  90  16.634  -6.145   3.793
  729   2HD   PRO  90          2HD       PRO  90  15.788  -7.069   2.528
  730    H    GLU  91           H        GLU  91  16.594  -3.635   3.533
  731    HA   GLU  91           HA       GLU  91  16.437  -1.604   5.445
  732   1HB   GLU  91          1HB       GLU  91  18.699  -0.966   4.761
  733   2HB   GLU  91          2HB       GLU  91  18.559  -2.704   4.978
  734   1HG   GLU  91          1HG       GLU  91  18.386  -2.994   2.585
  735   2HG   GLU  91          2HG       GLU  91  18.513  -1.253   2.347
  736    H    GLU  92           H        GLU  92  15.541  -1.713   2.055
  737    HA   GLU  92           HA       GLU  92  15.888   0.970   1.360
  738   1HB   GLU  92          1HB       GLU  92  15.185  -0.789  -0.227
  739   2HB   GLU  92          2HB       GLU  92  13.659  -0.940   0.625
  740   1HG   GLU  92          1HG       GLU  92  13.284   0.300  -1.388
  741   2HG   GLU  92          2HG       GLU  92  13.118   1.389  -0.021
  742    H    ILE  93           H        ILE  93  13.684  -0.586   3.562
  743    HA   ILE  93           HA       ILE  93  11.608   1.268   3.699
  744    HB   ILE  93           HB       ILE  93  12.783  -0.449   5.843
  745   1HG1  ILE  93          1HG1      ILE  93  10.320  -0.841   4.127
  746   2HG1  ILE  93          2HG1      ILE  93  11.838  -1.726   4.002
  747   1HG2  ILE  93          1HG2      ILE  93  10.142   1.059   5.907
  748   2HG2  ILE  93          2HG2      ILE  93  11.544   1.373   6.927
  749   3HG2  ILE  93          3HG2      ILE  93  10.638  -0.128   7.115
  750   1HD1  ILE  93          1HD1      ILE  93   9.946  -1.805   6.343
  751   2HD1  ILE  93          2HD1      ILE  93  11.449  -2.716   6.190
  752   3HD1  ILE  93          3HD1      ILE  93  10.102  -3.046   5.101
  753    H    GLU  94           H        GLU  94  14.787   1.288   5.184
  754    HA   GLU  94           HA       GLU  94  14.490   3.396   7.024
  755   1HB   GLU  94          1HB       GLU  94  16.515   2.044   6.899
  756   2HB   GLU  94          2HB       GLU  94  16.867   2.673   5.301
  757   1HG   GLU  94          1HG       GLU  94  17.118   4.927   6.313
  758   2HG   GLU  94          2HG       GLU  94  16.919   4.182   7.899
  759    H    ARG  95           H        ARG  95  15.098   3.449   3.630
  760    HA   ARG  95           HA       ARG  95  15.381   6.357   3.414
  761   1HB   ARG  95          1HB       ARG  95  16.747   4.841   2.041
  762   2HB   ARG  95          2HB       ARG  95  15.311   4.076   1.419
  763   1HG   ARG  95          1HG       ARG  95  15.891   6.970   0.900
  764   2HG   ARG  95          2HG       ARG  95  16.613   5.699  -0.077
  765   1HD   ARG  95          1HD       ARG  95  14.286   4.835  -0.487
  766   2HD   ARG  95          2HD       ARG  95  13.689   6.297   0.291
  767    HE   ARG  95           HE       ARG  95  14.624   7.575  -1.455
  768   1HH1  ARG  95          1HH1      ARG  95  14.796   4.057  -2.030
  769   2HH1  ARG  95          2HH1      ARG  95  14.789   4.202  -3.715
  770   1HH2  ARG  95          1HH2      ARG  95  14.690   7.755  -3.808
  771   2HH2  ARG  95          2HH2      ARG  95  14.768   6.337  -4.757
  772    H    ILE  96           H        ILE  96  13.011   3.953   2.773
  773    HA   ILE  96           HA       ILE  96  11.130   5.825   1.705
  774    HB   ILE  96           HB       ILE  96  10.730   3.072   2.859
  775   1HG1  ILE  96          1HG1      ILE  96  12.350   2.995   1.052
  776   2HG1  ILE  96          2HG1      ILE  96  10.860   2.203   0.551
  777   1HG2  ILE  96          1HG2      ILE  96   9.017   4.606   0.883
  778   2HG2  ILE  96          2HG2      ILE  96   8.633   4.319   2.575
  779   3HG2  ILE  96          3HG2      ILE  96   8.694   2.962   1.446
  780   1HD1  ILE  96          1HD1      ILE  96  11.804   3.534  -1.249
  781   2HD1  ILE  96          2HD1      ILE  96  11.762   4.975  -0.237
  782   3HD1  ILE  96          3HD1      ILE  96  10.255   4.206  -0.738
  783    H    LEU  97           H        LEU  97  12.149   4.913   4.860
  784    HA   LEU  97           HA       LEU  97   9.759   5.659   6.208
  785   1HB   LEU  97          1HB       LEU  97  11.377   3.962   7.061
  786   2HB   LEU  97          2HB       LEU  97  12.544   5.239   7.300
  787    HG   LEU  97           HG       LEU  97  10.996   6.253   8.974
  788   1HD1  LEU  97          1HD1      LEU  97   9.219   4.836   9.887
  789   2HD1  LEU  97          2HD1      LEU  97   9.500   3.660   8.603
  790   3HD1  LEU  97          3HD1      LEU  97   8.908   5.273   8.209
  791   1HD2  LEU  97          1HD2      LEU  97  12.888   4.878   9.645
  792   2HD2  LEU  97          2HD2      LEU  97  11.901   3.424   9.485
  793   3HD2  LEU  97          3HD2      LEU  97  11.511   4.624  10.716
  794    H    GLU  98           H        GLU  98  12.680   7.067   5.221
  795    HA   GLU  98           HA       GLU  98  12.570   9.491   6.748
  796   1HB   GLU  98          1HB       GLU  98  14.614   8.505   5.761
  797   2HB   GLU  98          2HB       GLU  98  13.954   8.764   4.163
  798   1HG   GLU  98          1HG       GLU  98  14.028  11.177   4.542
  799   2HG   GLU  98          2HG       GLU  98  14.739  10.888   6.137
  800    H    VAL  99           H        VAL  99  11.338   8.202   3.888
  801    HA   VAL  99           HA       VAL  99  10.217  10.660   2.820
  802    HB   VAL  99           HB       VAL  99  10.778   7.878   1.778
  803   1HG1  VAL  99          1HG1      VAL  99  10.005   8.625  -0.481
  804   2HG1  VAL  99          2HG1      VAL  99   9.496  10.167   0.206
  805   3HG1  VAL  99          3HG1      VAL  99   8.665   8.681   0.667
  806   1HG2  VAL  99          1HG2      VAL  99  12.267   9.051   0.218
  807   2HG2  VAL  99          2HG2      VAL  99  12.673   9.316   1.915
  808   3HG2  VAL  99          3HG2      VAL  99  11.844  10.574   1.000
  809    H    ALA 100           H        ALA 100   9.357   8.573   5.099
  810    HA   ALA 100           HA       ALA 100   6.951   7.398   4.449
  811   1HB   ALA 100          1HB       ALA 100   6.490   7.120   6.785
  812   2HB   ALA 100          2HB       ALA 100   7.584   8.437   7.186
  813   3HB   ALA 100          3HB       ALA 100   8.225   6.938   6.520
  814    H    GLU 101           H        GLU 101   7.160  10.296   6.206
  815    HA   GLU 101           HA       GLU 101   4.386  10.913   5.463
  816   1HB   GLU 101          1HB       GLU 101   6.056  12.190   7.610
  817   2HB   GLU 101          2HB       GLU 101   4.359  12.510   7.289
  818   1HG   GLU 101          1HG       GLU 101   3.753  10.295   7.937
  819   2HG   GLU 101          2HG       GLU 101   5.445   9.824   8.079
  820    HA   PRO 102           HA       PRO 102   6.339  14.681   3.818
  821   1HB   PRO 102          1HB       PRO 102   9.030  15.173   4.092
  822   2HB   PRO 102          2HB       PRO 102   7.758  15.687   5.224
  823   1HG   PRO 102          1HG       PRO 102   9.850  13.779   5.695
  824   2HG   PRO 102          2HG       PRO 102   8.552  14.268   6.792
  825   1HD   PRO 102          1HD       PRO 102   8.720  11.921   4.989
  826   2HD   PRO 102          2HD       PRO 102   7.827  12.114   6.512
  Start of MODEL   20
    1    H    HIS   1           H        HIS   1   4.168   9.886 -11.020
    2    HA   HIS   1           HA       HIS   1   1.806   9.848 -11.166
    3   1HB   HIS   1          1HB       HIS   1   2.149   6.900 -10.503
    4   2HB   HIS   1          2HB       HIS   1   0.621   7.759 -10.468
    5    HD1  HIS   1           HD1      HIS   1  -0.442   8.364 -12.859
    6    HD2  HIS   1           HD2      HIS   1   3.000   6.029 -12.952
    7    HE1  HIS   1           HE1      HIS   1  -0.287   7.438 -15.178
    8    H    MET   2           H        MET   2   0.522  10.003  -9.138
    9    HA   MET   2           HA       MET   2   1.922   9.438  -6.675
   10   1HB   MET   2          1HB       MET   2   1.015  12.270  -7.297
   11   2HB   MET   2          2HB       MET   2   1.700  11.697  -5.803
   12   1HG   MET   2          1HG       MET   2   3.414  12.925  -6.783
   13   2HG   MET   2          2HG       MET   2   3.833  11.255  -7.143
   14   1HE   MET   2          1HE       MET   2   1.993  14.180 -10.227
   15   2HE   MET   2          2HE       MET   2   2.299  14.594  -8.540
   16   3HE   MET   2          3HE       MET   2   1.033  13.438  -8.954
   17    H    THR   3           H        THR   3   0.438   9.140  -5.046
   18    HA   THR   3           HA       THR   3  -2.336   9.901  -5.615
   19    HB   THR   3           HB       THR   3  -1.475   7.454  -4.053
   20    HG1  THR   3           HG1      THR   3  -2.695   6.540  -6.011
   21   1HG2  THR   3          1HG2      THR   3  -4.193   8.360  -5.022
   22   2HG2  THR   3          2HG2      THR   3  -3.628   8.395  -3.354
   23   3HG2  THR   3          3HG2      THR   3  -3.857   6.850  -4.172
   24    H    PHE   4           H        PHE   4  -2.788  11.510  -4.311
   25    HA   PHE   4           HA       PHE   4  -2.005  11.231  -1.512
   26   1HB   PHE   4          1HB       PHE   4  -2.247  13.801  -3.063
   27   2HB   PHE   4          2HB       PHE   4  -1.919  13.672  -1.333
   28    HD1  PHE   4           HD1      PHE   4   0.140  12.300  -0.661
   29    HD2  PHE   4           HD2      PHE   4  -0.476  13.903  -4.543
   30    HE1  PHE   4           HE1      PHE   4   2.542  12.107  -1.119
   31    HE2  PHE   4           HE2      PHE   4   1.925  13.711  -5.003
   32    HZ   PHE   4           HZ       PHE   4   3.428  12.788  -3.289
   33    H    CYS   5           H        CYS   5  -4.499  11.459  -3.733
   34    HA   CYS   5           HA       CYS   5  -6.396  12.711  -1.985
   35   1HB   CYS   5          1HB       CYS   5  -6.739  11.260  -4.607
   36   2HB   CYS   5          2HB       CYS   5  -8.037  12.076  -3.743
   37    HG   CYS   5           HG       CYS   5  -7.663  13.963  -5.441
   38    H    LEU   6           H        LEU   6  -6.479  11.517  -0.169
   39    HA   LEU   6           HA       LEU   6  -6.866   8.714  -0.327
   40   1HB   LEU   6          1HB       LEU   6  -6.991   8.821   2.200
   41   2HB   LEU   6          2HB       LEU   6  -5.475   9.217   1.471
   42    HG   LEU   6           HG       LEU   6  -5.821  10.473   3.407
   43   1HD1  LEU   6          1HD1      LEU   6  -5.527  12.739   2.772
   44   2HD1  LEU   6          2HD1      LEU   6  -6.114  12.409   1.159
   45   3HD1  LEU   6          3HD1      LEU   6  -4.622  11.653   1.727
   46   1HD2  LEU   6          1HD2      LEU   6  -7.602  12.089   3.781
   47   2HD2  LEU   6          2HD2      LEU   6  -8.238  10.448   3.612
   48   3HD2  LEU   6          3HD2      LEU   6  -8.369  11.589   2.279
   49    H    GLU   7           H        GLU   7  -8.803  11.470   0.458
   50    HA   GLU   7           HA       GLU   7 -11.007   9.929   1.388
   51   1HB   GLU   7          1HB       GLU   7 -10.559  12.029   2.344
   52   2HB   GLU   7          2HB       GLU   7 -10.608  12.856   0.822
   53   1HG   GLU   7          1HG       GLU   7 -13.089  12.156   0.786
   54   2HG   GLU   7          2HG       GLU   7 -12.843  11.744   2.485
   55    H    THR   8           H        THR   8  -9.905  10.690  -1.664
   56    HA   THR   8           HA       THR   8 -12.389  10.844  -2.997
   57    HB   THR   8           HB       THR   8  -9.714   9.940  -4.098
   58    HG1  THR   8           HG1      THR   8 -10.013  12.391  -4.753
   59   1HG2  THR   8          1HG2      THR   8 -10.589  10.819  -6.237
   60   2HG2  THR   8          2HG2      THR   8 -12.113  11.220  -5.444
   61   3HG2  THR   8          3HG2      THR   8 -11.624   9.535  -5.612
   62    H    TYR   9           H        TYR   9 -10.438   8.276  -1.669
   63    HA   TYR   9           HA       TYR   9 -11.638   6.292  -3.282
   64   1HB   TYR   9          1HB       TYR   9  -9.597   6.242  -1.120
   65   2HB   TYR   9          2HB       TYR   9 -10.384   4.737  -1.611
   66    HD1  TYR   9           HD1      TYR   9 -10.071   3.835  -3.793
   67    HD2  TYR   9           HD2      TYR   9  -8.166   7.475  -2.719
   68    HE1  TYR   9           HE1      TYR   9  -8.717   3.698  -5.809
   69    HE2  TYR   9           HE2      TYR   9  -6.777   7.347  -4.755
   70    HH   TYR   9           HH       TYR   9  -5.999   5.692  -6.381
   71    H    LEU  10           H        LEU  10 -12.393   7.756  -0.311
   72    HA   LEU  10           HA       LEU  10 -14.139   5.738   0.628
   73   1HB   LEU  10          1HB       LEU  10 -13.269   7.741   1.952
   74   2HB   LEU  10          2HB       LEU  10 -14.389   8.736   1.060
   75    HG   LEU  10           HG       LEU  10 -15.293   6.473   2.865
   76   1HD1  LEU  10          1HD1      LEU  10 -15.732   8.199   4.554
   77   2HD1  LEU  10          2HD1      LEU  10 -14.974   9.401   3.513
   78   3HD1  LEU  10          3HD1      LEU  10 -14.014   8.081   4.178
   79   1HD2  LEU  10          1HD2      LEU  10 -16.963   7.266   1.241
   80   2HD2  LEU  10          2HD2      LEU  10 -16.739   8.918   1.822
   81   3HD2  LEU  10          3HD2      LEU  10 -17.419   7.692   2.892
   82    H    GLN  11           H        GLN  11 -14.377   8.494  -1.469
   83    HA   GLN  11           HA       GLN  11 -17.165   8.410  -1.948
   84   1HB   GLN  11          1HB       GLN  11 -14.878   9.699  -3.433
   85   2HB   GLN  11          2HB       GLN  11 -16.561   9.918  -3.882
   86   1HG   GLN  11          1HG       GLN  11 -15.337  10.672  -1.229
   87   2HG   GLN  11          2HG       GLN  11 -15.697  11.788  -2.546
   88   1HE2  GLN  11          1HE2      GLN  11 -16.730  11.717   0.211
   89   2HE2  GLN  11          2HE2      GLN  11 -18.433  11.584   0.066
   90    H    GLN  12           H        GLN  12 -14.365   6.925  -3.378
   91    HA   GLN  12           HA       GLN  12 -15.927   5.947  -5.569
   92   1HB   GLN  12          1HB       GLN  12 -13.033   5.481  -4.875
   93   2HB   GLN  12          2HB       GLN  12 -13.800   4.819  -6.304
   94   1HG   GLN  12          1HG       GLN  12 -13.476   7.737  -5.648
   95   2HG   GLN  12          2HG       GLN  12 -12.545   6.830  -6.837
   96   1HE2  GLN  12          1HE2      GLN  12 -14.893   5.343  -7.823
   97   2HE2  GLN  12          2HE2      GLN  12 -15.816   6.490  -8.711
   98    H    SER  13           H        SER  13 -15.759   5.057  -2.508
   99    HA   SER  13           HA       SER  13 -16.144   3.260  -1.286
  100   1HB   SER  13          1HB       SER  13 -17.404   2.171  -3.824
  101   2HB   SER  13          2HB       SER  13 -17.736   1.610  -2.184
  102    HG   SER  13           HG       SER  13 -19.005   3.251  -1.863
  103    H    GLY  14           H        GLY  14 -13.617   3.356  -2.156
  104   1HA   GLY  14          1HA       GLY  14 -12.886   0.552  -2.313
  105   2HA   GLY  14          2HA       GLY  14 -12.278   1.624  -3.578
  106    H    GLU  15           H        GLU  15 -12.792   1.896  -0.128
  107    HA   GLU  15           HA       GLU  15 -10.704   3.641   0.403
  108   1HB   GLU  15          1HB       GLU  15 -12.111   1.674   2.210
  109   2HB   GLU  15          2HB       GLU  15 -11.116   3.016   2.760
  110   1HG   GLU  15          1HG       GLU  15 -12.649   4.618   1.865
  111   2HG   GLU  15          2HG       GLU  15 -13.553   3.364   1.038
  112    H    TYR  16           H        TYR  16  -8.645   3.408   0.844
  113    HA   TYR  16           HA       TYR  16  -7.444   0.750   1.243
  114   1HB   TYR  16          1HB       TYR  16  -7.319   1.524  -1.160
  115   2HB   TYR  16          2HB       TYR  16  -6.516   2.976  -0.616
  116    HD1  TYR  16           HD1      TYR  16  -6.069  -0.757  -0.489
  117    HD2  TYR  16           HD2      TYR  16  -4.212   3.055  -0.851
  118    HE1  TYR  16           HE1      TYR  16  -3.917  -1.854  -0.985
  119    HE2  TYR  16           HE2      TYR  16  -2.054   1.975  -1.330
  120    HH   TYR  16           HH       TYR  16  -0.886  -0.097  -1.172
  121    H    GLU  17           H        GLU  17  -8.309   3.198   2.798
  122    HA   GLU  17           HA       GLU  17  -5.852   3.648   4.253
  123   1HB   GLU  17          1HB       GLU  17  -6.297   6.060   4.370
  124   2HB   GLU  17          2HB       GLU  17  -5.611   5.464   2.879
  125   1HG   GLU  17          1HG       GLU  17  -8.558   5.819   3.148
  126   2HG   GLU  17          2HG       GLU  17  -7.575   7.253   2.928
  127    H    ILE  18           H        ILE  18  -6.215   5.206   6.054
  128    HA   ILE  18           HA       ILE  18  -8.754   4.645   6.997
  129    HB   ILE  18           HB       ILE  18  -7.108   3.624   8.455
  130   1HG1  ILE  18          1HG1      ILE  18  -8.478   5.872   9.959
  131   2HG1  ILE  18          2HG1      ILE  18  -9.170   4.298   9.595
  132   1HG2  ILE  18          1HG2      ILE  18  -6.025   6.375   8.923
  133   2HG2  ILE  18          2HG2      ILE  18  -5.215   4.983   8.181
  134   3HG2  ILE  18          3HG2      ILE  18  -5.602   4.970   9.895
  135   1HD1  ILE  18          1HD1      ILE  18  -7.507   3.241  11.053
  136   2HD1  ILE  18          2HD1      ILE  18  -8.456   4.451  11.916
  137   3HD1  ILE  18          3HD1      ILE  18  -6.813   4.825  11.396
  138    H    HIS  19           H        HIS  19  -7.953   6.770   5.337
  139    HA   HIS  19           HA       HIS  19  -8.222   8.960   4.873
  140   1HB   HIS  19          1HB       HIS  19 -10.439   8.582   6.880
  141   2HB   HIS  19          2HB       HIS  19 -10.247  10.038   5.888
  142    HD1  HIS  19           HD1      HIS  19 -11.292   6.442   5.644
  143    HD2  HIS  19           HD2      HIS  19 -10.559   9.696   3.204
  144    HE1  HIS  19           HE1      HIS  19 -12.064   5.765   3.380
  145    H    MET  20           H        MET  20  -6.220   8.949   5.790
  146    HA   MET  20           HA       MET  20  -5.893  11.015   7.789
  147   1HB   MET  20          1HB       MET  20  -4.801   8.240   7.672
  148   2HB   MET  20          2HB       MET  20  -3.836   9.445   8.529
  149   1HG   MET  20          1HG       MET  20  -6.611   8.425   9.105
  150   2HG   MET  20          2HG       MET  20  -5.148   8.100  10.033
  151   1HE   MET  20          1HE       MET  20  -3.917   9.864  11.477
  152   2HE   MET  20          2HE       MET  20  -4.457  11.522  11.716
  153   3HE   MET  20          3HE       MET  20  -3.813  11.021  10.150
  154    H    LYS  21           H        LYS  21  -2.921  10.842   7.374
  155    HA   LYS  21           HA       LYS  21  -3.042  12.052   4.738
  156   1HB   LYS  21          1HB       LYS  21  -1.998  13.270   6.588
  157   2HB   LYS  21          2HB       LYS  21  -0.824  11.980   6.784
  158   1HG   LYS  21          1HG       LYS  21   0.158  12.503   4.660
  159   2HG   LYS  21          2HG       LYS  21  -1.107  13.697   4.336
  160   1HD   LYS  21          1HD       LYS  21  -0.409  15.015   6.221
  161   2HD   LYS  21          2HD       LYS  21   0.787  13.808   6.674
  162   1HE   LYS  21          1HE       LYS  21   1.857  15.660   5.553
  163   2HE   LYS  21          2HE       LYS  21   1.955  14.220   4.547
  164   1HZ   LYS  21          1HZ       LYS  21   1.397  16.202   3.300
  165   2HZ   LYS  21          2HZ       LYS  21  -0.022  16.404   4.206
  166   3HZ   LYS  21          3HZ       LYS  21   0.138  15.084   3.200
  167    H    ARG  22           H        ARG  22  -2.625  10.907   2.979
  168    HA   ARG  22           HA       ARG  22  -0.951   8.501   3.231
  169   1HB   ARG  22          1HB       ARG  22  -2.254   7.504   1.421
  170   2HB   ARG  22          2HB       ARG  22  -3.397   8.374   2.395
  171   1HG   ARG  22          1HG       ARG  22  -3.596  10.090   0.814
  172   2HG   ARG  22          2HG       ARG  22  -2.161   9.545  -0.055
  173   1HD   ARG  22          1HD       ARG  22  -4.749   7.995   0.196
  174   2HD   ARG  22          2HD       ARG  22  -4.186   8.883  -1.221
  175    HE   ARG  22           HE       ARG  22  -2.157   7.217  -0.869
  176   1HH1  ARG  22          1HH1      ARG  22  -5.621   6.301  -0.484
  177   2HH1  ARG  22          2HH1      ARG  22  -5.401   4.820  -1.209
  178   1HH2  ARG  22          1HH2      ARG  22  -1.912   5.274  -1.749
  179   2HH2  ARG  22          2HH2      ARG  22  -3.194   4.157  -2.037
  180    H    ALA  23           H        ALA  23   0.466   8.067   1.339
  181    HA   ALA  23           HA       ALA  23   1.003  10.298  -0.444
  182   1HB   ALA  23          1HB       ALA  23   3.115   9.534   1.578
  183   2HB   ALA  23          2HB       ALA  23   2.253  11.070   1.492
  184   3HB   ALA  23          3HB       ALA  23   3.377  10.614   0.211
  185    H    GLY  24           H        GLY  24   0.605   8.780  -2.108
  186   1HA   GLY  24          1HA       GLY  24   2.448   6.510  -2.272
  187   2HA   GLY  24          2HA       GLY  24   0.884   6.628  -3.047
  188    H    PHE  25           H        PHE  25   4.191   7.538  -3.126
  189    HA   PHE  25           HA       PHE  25   3.993   8.869  -5.683
  190   1HB   PHE  25          1HB       PHE  25   6.349   7.935  -4.063
  191   2HB   PHE  25          2HB       PHE  25   6.513   8.756  -5.606
  192    HD1  PHE  25           HD1      PHE  25   5.799  11.117  -5.809
  193    HD2  PHE  25           HD2      PHE  25   5.880   9.116  -2.057
  194    HE1  PHE  25           HE1      PHE  25   5.763  13.283  -4.661
  195    HE2  PHE  25           HE2      PHE  25   5.841  11.291  -0.899
  196    HZ   PHE  25           HZ       PHE  25   5.785  13.369  -2.200
  197    H    ARG  26           H        ARG  26   5.662   5.951  -4.633
  198    HA   ARG  26           HA       ARG  26   5.992   5.103  -7.383
  199   1HB   ARG  26          1HB       ARG  26   6.737   3.871  -4.763
  200   2HB   ARG  26          2HB       ARG  26   7.035   3.103  -6.305
  201   1HG   ARG  26          1HG       ARG  26   8.112   5.822  -5.672
  202   2HG   ARG  26          2HG       ARG  26   8.951   4.346  -5.190
  203   1HD   ARG  26          1HD       ARG  26   8.946   3.602  -7.492
  204   2HD   ARG  26          2HD       ARG  26   8.158   5.103  -7.989
  205    HE   ARG  26           HE       ARG  26  10.455   5.765  -6.550
  206   1HH1  ARG  26          1HH1      ARG  26   9.730   4.207  -9.625
  207   2HH1  ARG  26          2HH1      ARG  26  11.185   4.673 -10.381
  208   1HH2  ARG  26          1HH2      ARG  26  12.429   6.414  -7.559
  209   2HH2  ARG  26          2HH2      ARG  26  12.767   5.963  -9.169
  210    H    GLU  27           H        GLU  27   4.177   4.160  -4.566
  211    HA   GLU  27           HA       GLU  27   3.212   1.777  -5.791
  212   1HB   GLU  27          1HB       GLU  27   3.709   2.200  -3.325
  213   2HB   GLU  27          2HB       GLU  27   2.137   2.991  -3.325
  214   1HG   GLU  27          1HG       GLU  27   1.053   0.981  -3.972
  215   2HG   GLU  27          2HG       GLU  27   2.603   0.152  -4.136
  216    H    CYS  28           H        CYS  28   2.265   5.046  -6.102
  217    HA   CYS  28           HA       CYS  28  -0.445   5.115  -6.231
  218   1HB   CYS  28          1HB       CYS  28   0.954   7.026  -6.797
  219   2HB   CYS  28          2HB       CYS  28   1.547   6.203  -8.232
  220    HG   CYS  28           HG       CYS  28  -1.551   7.372  -7.633
  221    H    ALA  29           H        ALA  29   1.777   3.834  -8.672
  222    HA   ALA  29           HA       ALA  29  -0.253   3.171 -10.552
  223   1HB   ALA  29          1HB       ALA  29   2.056   3.632 -11.225
  224   2HB   ALA  29          2HB       ALA  29   1.522   2.039 -11.772
  225   3HB   ALA  29          3HB       ALA  29   2.582   2.182 -10.371
  226    H    ALA  30           H        ALA  30   1.397   1.429  -8.060
  227    HA   ALA  30           HA       ALA  30   0.572  -1.158  -8.589
  228   1HB   ALA  30          1HB       ALA  30   1.138  -1.604  -6.321
  229   2HB   ALA  30          2HB       ALA  30   1.054   0.114  -5.934
  230   3HB   ALA  30          3HB       ALA  30   2.310  -0.485  -7.017
  231    H    MET  31           H        MET  31  -0.940   1.362  -6.637
  232    HA   MET  31           HA       MET  31  -2.896  -0.397  -5.576
  233   1HB   MET  31          1HB       MET  31  -4.066   1.475  -4.689
  234   2HB   MET  31          2HB       MET  31  -2.348   1.721  -4.451
  235   1HG   MET  31          1HG       MET  31  -2.300   3.291  -6.298
  236   2HG   MET  31          2HG       MET  31  -4.011   3.010  -6.602
  237   1HE   MET  31          1HE       MET  31  -5.905   3.498  -4.777
  238   2HE   MET  31          2HE       MET  31  -5.613   4.388  -3.289
  239   3HE   MET  31          3HE       MET  31  -5.015   2.742  -3.449
  240    H    ILE  32           H        ILE  32  -2.813   1.462  -8.473
  241    HA   ILE  32           HA       ILE  32  -5.535   1.285  -9.157
  242    HB   ILE  32           HB       ILE  32  -3.099   1.355 -10.961
  243   1HG1  ILE  32          1HG1      ILE  32  -4.799   3.640  -9.917
  244   2HG1  ILE  32          2HG1      ILE  32  -3.184   3.235  -9.355
  245   1HG2  ILE  32          1HG2      ILE  32  -4.668   2.335 -12.634
  246   2HG2  ILE  32          2HG2      ILE  32  -6.002   2.057 -11.515
  247   3HG2  ILE  32          3HG2      ILE  32  -5.115   0.687 -12.184
  248   1HD1  ILE  32          1HD1      ILE  32  -2.293   3.753 -11.577
  249   2HD1  ILE  32          2HD1      ILE  32  -3.142   5.129 -10.873
  250   3HD1  ILE  32          3HD1      ILE  32  -3.917   4.161 -12.128
  251    H    GLU  33           H        GLU  33  -2.798  -0.867  -9.507
  252    HA   GLU  33           HA       GLU  33  -4.173  -2.781 -11.134
  253   1HB   GLU  33          1HB       GLU  33  -1.642  -3.132  -9.526
  254   2HB   GLU  33          2HB       GLU  33  -2.197  -4.100 -10.887
  255   1HG   GLU  33          1HG       GLU  33  -1.869  -2.208 -12.380
  256   2HG   GLU  33          2HG       GLU  33  -1.328  -1.226 -11.019
  257    H    LYS  34           H        LYS  34  -3.343  -2.375  -7.741
  258    HA   LYS  34           HA       LYS  34  -4.101  -4.905  -6.790
  259   1HB   LYS  34          1HB       LYS  34  -3.859  -2.232  -5.449
  260   2HB   LYS  34          2HB       LYS  34  -4.331  -3.665  -4.561
  261   1HG   LYS  34          1HG       LYS  34  -2.291  -4.627  -4.707
  262   2HG   LYS  34          2HG       LYS  34  -1.785  -3.747  -6.157
  263   1HD   LYS  34          1HD       LYS  34  -1.709  -1.697  -4.762
  264   2HD   LYS  34          2HD       LYS  34  -2.114  -2.701  -3.353
  265   1HE   LYS  34          1HE       LYS  34  -0.030  -3.931  -3.719
  266   2HE   LYS  34          2HE       LYS  34   0.326  -2.894  -5.094
  267   1HZ   LYS  34          1HZ       LYS  34   0.436  -0.999  -3.663
  268   2HZ   LYS  34          2HZ       LYS  34   1.374  -2.161  -2.904
  269   3HZ   LYS  34          3HZ       LYS  34  -0.170  -1.816  -2.377
  270    H    LYS  35           H        LYS  35  -5.913  -2.273  -7.806
  271    HA   LYS  35           HA       LYS  35  -8.288  -2.454  -6.349
  272   1HB   LYS  35          1HB       LYS  35  -7.733  -0.566  -7.712
  273   2HB   LYS  35          2HB       LYS  35  -7.659  -1.556  -9.152
  274   1HG   LYS  35          1HG       LYS  35 -10.086  -1.950  -8.939
  275   2HG   LYS  35          2HG       LYS  35 -10.108  -0.840  -7.566
  276   1HD   LYS  35          1HD       LYS  35  -9.289   0.954  -8.951
  277   2HD   LYS  35          2HD       LYS  35  -9.128  -0.145 -10.322
  278   1HE   LYS  35          1HE       LYS  35 -11.502  -0.506 -10.350
  279   2HE   LYS  35          2HE       LYS  35 -11.716   0.531  -8.940
  280   1HZ   LYS  35          1HZ       LYS  35 -10.691   1.387 -11.602
  281   2HZ   LYS  35          2HZ       LYS  35 -10.872   2.389 -10.261
  282   3HZ   LYS  35          3HZ       LYS  35 -12.217   1.708 -10.988
  283    H    ALA  36           H        ALA  36  -6.973  -4.475  -8.848
  284    HA   ALA  36           HA       ALA  36  -9.399  -5.605  -9.736
  285   1HB   ALA  36          1HB       ALA  36  -7.356  -5.724 -11.060
  286   2HB   ALA  36          2HB       ALA  36  -8.009  -7.337 -10.769
  287   3HB   ALA  36          3HB       ALA  36  -6.615  -6.766  -9.847
  288    H    ARG  37           H        ARG  37  -6.855  -6.873  -7.605
  289    HA   ARG  37           HA       ARG  37  -8.713  -8.007  -5.758
  290   1HB   ARG  37          1HB       ARG  37  -8.637  -9.692  -7.757
  291   2HB   ARG  37          2HB       ARG  37  -7.020 -10.057  -7.172
  292   1HG   ARG  37          1HG       ARG  37  -9.547 -10.397  -5.529
  293   2HG   ARG  37          2HG       ARG  37  -8.739 -11.691  -6.399
  294   1HD   ARG  37          1HD       ARG  37  -6.758 -11.402  -5.008
  295   2HD   ARG  37          2HD       ARG  37  -7.518 -10.043  -4.184
  296    HE   ARG  37           HE       ARG  37  -8.773 -12.679  -4.083
  297   1HH1  ARG  37          1HH1      ARG  37  -7.116 -10.025  -2.355
  298   2HH1  ARG  37          2HH1      ARG  37  -7.399 -10.681  -0.829
  299   1HH2  ARG  37          1HH2      ARG  37  -9.141 -13.536  -1.974
  300   2HH2  ARG  37          2HH2      ARG  37  -8.571 -12.704  -0.585
  301    H    ARG  38           H        ARG  38  -5.460  -8.793  -7.001
  302    HA   ARG  38           HA       ARG  38  -4.239  -7.496  -4.802
  303   1HB   ARG  38          1HB       ARG  38  -3.013  -9.427  -3.908
  304   2HB   ARG  38          2HB       ARG  38  -4.739  -9.703  -3.766
  305   1HG   ARG  38          1HG       ARG  38  -4.724 -11.296  -5.527
  306   2HG   ARG  38          2HG       ARG  38  -3.085 -10.848  -5.998
  307   1HD   ARG  38          1HD       ARG  38  -2.234 -11.670  -3.865
  308   2HD   ARG  38          2HD       ARG  38  -3.873 -12.082  -3.372
  309    HE   ARG  38           HE       ARG  38  -3.900 -13.719  -5.159
  310   1HH1  ARG  38          1HH1      ARG  38  -0.644 -12.487  -4.363
  311   2HH1  ARG  38          2HH1      ARG  38   0.111 -13.983  -4.646
  312   1HH2  ARG  38          1HH2      ARG  38  -2.775 -15.742  -5.603
  313   2HH2  ARG  38          2HH2      ARG  38  -1.094 -15.821  -5.359
  314    H    VAL  39           H        VAL  39  -2.281  -6.762  -5.517
  315    HA   VAL  39           HA       VAL  39  -0.997  -8.127  -7.747
  316    HB   VAL  39           HB       VAL  39  -1.829  -5.213  -7.816
  317   1HG1  VAL  39          1HG1      VAL  39  -0.655  -5.065  -9.999
  318   2HG1  VAL  39          2HG1      VAL  39  -0.138  -6.734  -9.821
  319   3HG1  VAL  39          3HG1      VAL  39   0.471  -5.507  -8.713
  320   1HG2  VAL  39          1HG2      VAL  39  -2.990  -5.808  -9.903
  321   2HG2  VAL  39          2HG2      VAL  39  -3.585  -6.746  -8.532
  322   3HG2  VAL  39          3HG2      VAL  39  -2.482  -7.483  -9.694
  323    H    VAL  40           H        VAL  40   1.188  -7.807  -7.808
  324    HA   VAL  40           HA       VAL  40   2.321  -6.310  -5.594
  325    HB   VAL  40           HB       VAL  40   3.033  -8.690  -5.626
  326   1HG1  VAL  40          1HG1      VAL  40   4.094  -8.139  -8.382
  327   2HG1  VAL  40          2HG1      VAL  40   2.745  -9.195  -7.959
  328   3HG1  VAL  40          3HG1      VAL  40   4.379  -9.603  -7.443
  329   1HG2  VAL  40          1HG2      VAL  40   5.485  -8.417  -5.740
  330   2HG2  VAL  40          2HG2      VAL  40   4.696  -7.145  -4.801
  331   3HG2  VAL  40          3HG2      VAL  40   5.251  -6.819  -6.442
  332    H    HIS  41           H        HIS  41   4.052  -4.848  -6.026
  333    HA   HIS  41           HA       HIS  41   4.490  -4.179  -8.807
  334   1HB   HIS  41          1HB       HIS  41   2.599  -2.837  -7.746
  335   2HB   HIS  41          2HB       HIS  41   3.797  -2.178  -6.655
  336    HD1  HIS  41           HD1      HIS  41   2.419  -1.818 -10.158
  337    HD2  HIS  41           HD2      HIS  41   5.405  -0.144  -7.762
  338    HE1  HIS  41           HE1      HIS  41   3.283   0.161 -11.379
  339    H    ILE  42           H        ILE  42   6.637  -3.849  -9.043
  340    HA   ILE  42           HA       ILE  42   8.326  -4.051  -6.722
  341    HB   ILE  42           HB       ILE  42   8.906  -5.262  -8.826
  342   1HG1  ILE  42          1HG1      ILE  42  10.957  -3.172  -8.031
  343   2HG1  ILE  42          2HG1      ILE  42  10.690  -4.706  -7.222
  344   1HG2  ILE  42          1HG2      ILE  42   9.823  -4.024 -10.756
  345   2HG2  ILE  42          2HG2      ILE  42   9.338  -2.512  -9.989
  346   3HG2  ILE  42          3HG2      ILE  42   8.115  -3.684 -10.477
  347   1HD1  ILE  42          1HD1      ILE  42  11.676  -4.349 -10.044
  348   2HD1  ILE  42          2HD1      ILE  42  11.420  -5.890  -9.227
  349   3HD1  ILE  42          3HD1      ILE  42  12.658  -4.777  -8.644
  350    H    LYS  43           H        LYS  43   9.677  -2.465  -5.918
  351    HA   LYS  43           HA       LYS  43  10.428  -0.403  -5.389
  352   1HB   LYS  43          1HB       LYS  43   9.604   0.403  -8.190
  353   2HB   LYS  43          2HB       LYS  43  10.509   1.418  -7.088
  354   1HG   LYS  43          1HG       LYS  43  12.358  -0.148  -7.159
  355   2HG   LYS  43          2HG       LYS  43  11.433  -1.203  -8.235
  356   1HD   LYS  43          1HD       LYS  43  11.330   0.551  -9.900
  357   2HD   LYS  43          2HD       LYS  43  12.194   1.649  -8.823
  358   1HE   LYS  43          1HE       LYS  43  14.118   0.142  -8.864
  359   2HE   LYS  43          2HE       LYS  43  13.260  -0.929  -9.972
  360   1HZ   LYS  43          1HZ       LYS  43  14.000   1.886 -10.496
  361   2HZ   LYS  43          2HZ       LYS  43  13.162   0.877 -11.558
  362   3HZ   LYS  43          3HZ       LYS  43  14.764   0.518 -11.146
  363    HA   PRO  44           HA       PRO  44   6.120   1.062  -4.715
  364   1HB   PRO  44          1HB       PRO  44   5.732   0.366  -2.165
  365   2HB   PRO  44          2HB       PRO  44   5.529  -0.824  -3.462
  366   1HG   PRO  44          1HG       PRO  44   7.939  -0.334  -1.736
  367   2HG   PRO  44          2HG       PRO  44   7.139  -1.880  -2.049
  368   1HD   PRO  44          1HD       PRO  44   9.313  -1.145  -3.427
  369   2HD   PRO  44          2HD       PRO  44   7.978  -2.022  -4.197
  370    H    GLY  45           H        GLY  45   5.412   2.677  -3.018
  371   1HA   GLY  45          1HA       GLY  45   7.259   3.918  -1.317
  372   2HA   GLY  45          2HA       GLY  45   7.208   4.758  -2.864
  373    H    GLU  46           H        GLU  46   4.726   3.171  -0.926
  374    HA   GLU  46           HA       GLU  46   3.330   5.737  -0.774
  375   1HB   GLU  46          1HB       GLU  46   1.973   4.501  -2.145
  376   2HB   GLU  46          2HB       GLU  46   2.287   2.986  -1.332
  377   1HG   GLU  46          1HG       GLU  46   0.011   3.587  -0.939
  378   2HG   GLU  46          2HG       GLU  46   0.880   3.850   0.566
  379    H    LYS  47           H        LYS  47   2.783   6.421   1.049
  380    HA   LYS  47           HA       LYS  47   3.308   4.749   3.377
  381   1HB   LYS  47          1HB       LYS  47   3.925   7.666   3.078
  382   2HB   LYS  47          2HB       LYS  47   4.199   6.656   4.490
  383   1HG   LYS  47          1HG       LYS  47   6.065   5.783   3.693
  384   2HG   LYS  47          2HG       LYS  47   5.375   5.560   2.082
  385   1HD   LYS  47          1HD       LYS  47   6.201   8.187   3.179
  386   2HD   LYS  47          2HD       LYS  47   7.271   7.120   2.212
  387   1HE   LYS  47          1HE       LYS  47   5.803   7.358   0.349
  388   2HE   LYS  47          2HE       LYS  47   4.604   8.211   1.312
  389   1HZ   LYS  47          1HZ       LYS  47   6.312   9.935   1.676
  390   2HZ   LYS  47          2HZ       LYS  47   5.799   9.779   0.063
  391   3HZ   LYS  47          3HZ       LYS  47   7.293   9.146   0.538
  392    H    ILE  48           H        ILE  48   1.355   4.464   2.936
  393    HA   ILE  48           HA       ILE  48  -0.709   6.369   3.156
  394    HB   ILE  48           HB       ILE  48  -2.174   4.336   3.733
  395   1HG1  ILE  48          1HG1      ILE  48   0.186   2.938   2.465
  396   2HG1  ILE  48          2HG1      ILE  48  -0.460   2.667   4.076
  397   1HG2  ILE  48          1HG2      ILE  48  -2.657   5.554   1.889
  398   2HG2  ILE  48          2HG2      ILE  48  -2.596   3.866   1.381
  399   3HG2  ILE  48          3HG2      ILE  48  -1.254   4.948   1.011
  400   1HD1  ILE  48          1HD1      ILE  48  -1.903   2.082   1.502
  401   2HD1  ILE  48          2HD1      ILE  48  -2.486   1.723   3.129
  402   3HD1  ILE  48          3HD1      ILE  48  -1.058   0.900   2.493
  403    H    LEU  49           H        LEU  49  -0.835   7.474   4.853
  404    HA   LEU  49           HA       LEU  49  -1.417   8.222   6.825
  405   1HB   LEU  49          1HB       LEU  49  -2.395   5.549   7.771
  406   2HB   LEU  49          2HB       LEU  49  -2.999   7.129   8.176
  407    HG   LEU  49           HG       LEU  49  -4.713   6.416   6.902
  408   1HD1  LEU  49          1HD1      LEU  49  -4.057   8.358   5.736
  409   2HD1  LEU  49          2HD1      LEU  49  -4.709   7.181   4.600
  410   3HD1  LEU  49          3HD1      LEU  49  -2.972   7.424   4.716
  411   1HD2  LEU  49          1HD2      LEU  49  -4.439   4.861   4.913
  412   2HD2  LEU  49          2HD2      LEU  49  -4.121   4.219   6.520
  413   3HD2  LEU  49          3HD2      LEU  49  -2.771   4.655   5.482
  414    H    GLY  50           H        GLY  50   1.005   6.322   6.484
  415   1HA   GLY  50          1HA       GLY  50   2.903   5.890   7.778
  416   2HA   GLY  50          2HA       GLY  50   2.111   6.730   9.111
  417    H    ALA  51           H        ALA  51   0.113   4.364   7.761
  418    HA   ALA  51           HA       ALA  51   0.936   2.044   9.184
  419   1HB   ALA  51          1HB       ALA  51  -0.996   1.981  10.718
  420   2HB   ALA  51          2HB       ALA  51  -1.463   3.597  10.192
  421   3HB   ALA  51          3HB       ALA  51   0.043   3.363  11.077
  422    H    ARG  52           H        ARG  52   0.151   0.419   7.916
  423    HA   ARG  52           HA       ARG  52  -1.642   1.157   5.819
  424   1HB   ARG  52          1HB       ARG  52   0.211  -0.399   5.385
  425   2HB   ARG  52          2HB       ARG  52  -0.556  -1.592   6.428
  426   1HG   ARG  52          1HG       ARG  52  -2.512  -1.612   4.924
  427   2HG   ARG  52          2HG       ARG  52  -1.688  -0.477   3.863
  428   1HD   ARG  52          1HD       ARG  52  -1.391  -2.651   2.950
  429   2HD   ARG  52          2HD       ARG  52   0.149  -2.157   3.648
  430    HE   ARG  52           HE       ARG  52  -1.708  -3.861   5.145
  431   1HH1  ARG  52          1HH1      ARG  52   1.556  -3.305   3.845
  432   2HH1  ARG  52          2HH1      ARG  52   2.178  -4.775   4.405
  433   1HH2  ARG  52          1HH2      ARG  52  -0.831  -5.947   5.850
  434   2HH2  ARG  52          2HH2      ARG  52   0.788  -6.325   5.516
  435    H    ILE  53           H        ILE  53  -3.546   1.638   6.659
  436    HA   ILE  53           HA       ILE  53  -5.125  -0.606   7.688
  437    HB   ILE  53           HB       ILE  53  -5.556   2.371   8.076
  438   1HG1  ILE  53          1HG1      ILE  53  -3.690   1.577   9.478
  439   2HG1  ILE  53          2HG1      ILE  53  -5.070   2.036  10.465
  440   1HG2  ILE  53          1HG2      ILE  53  -7.106   0.021   9.182
  441   2HG2  ILE  53          2HG2      ILE  53  -7.666   1.161   7.962
  442   3HG2  ILE  53          3HG2      ILE  53  -7.391   1.705   9.617
  443   1HD1  ILE  53          1HD1      ILE  53  -5.654  -0.339  10.706
  444   2HD1  ILE  53          2HD1      ILE  53  -4.044   0.032  11.315
  445   3HD1  ILE  53          3HD1      ILE  53  -4.229  -0.772   9.754
  446    H    ILE  54           H        ILE  54  -6.317  -1.313   6.038
  447    HA   ILE  54           HA       ILE  54  -6.726   0.179   3.646
  448    HB   ILE  54           HB       ILE  54  -8.103  -2.370   4.600
  449   1HG1  ILE  54          1HG1      ILE  54  -5.715  -2.034   2.767
  450   2HG1  ILE  54          2HG1      ILE  54  -5.622  -2.540   4.446
  451   1HG2  ILE  54          1HG2      ILE  54  -9.360  -1.282   2.800
  452   2HG2  ILE  54          2HG2      ILE  54  -8.628  -2.790   2.255
  453   3HG2  ILE  54          3HG2      ILE  54  -7.905  -1.249   1.801
  454   1HD1  ILE  54          1HD1      ILE  54  -5.427  -4.433   2.937
  455   2HD1  ILE  54          2HD1      ILE  54  -6.986  -4.035   2.211
  456   3HD1  ILE  54          3HD1      ILE  54  -6.904  -4.557   3.893
  457    H    GLY  55           H        GLY  55  -8.567  -0.355   6.530
  458   1HA   GLY  55          1HA       GLY  55 -10.180   1.214   7.328
  459   2HA   GLY  55          2HA       GLY  55 -10.449   1.732   5.664
  460    H    ILE  56           H        ILE  56 -10.457  -1.021   4.797
  461    HA   ILE  56           HA       ILE  56 -13.236  -1.654   5.424
  462    HB   ILE  56           HB       ILE  56 -11.381  -2.840   3.321
  463   1HG1  ILE  56          1HG1      ILE  56 -13.583  -0.798   2.943
  464   2HG1  ILE  56          2HG1      ILE  56 -11.866  -0.412   2.992
  465   1HG2  ILE  56          1HG2      ILE  56 -13.456  -3.724   2.319
  466   2HG2  ILE  56          2HG2      ILE  56 -14.378  -3.068   3.670
  467   3HG2  ILE  56          3HG2      ILE  56 -13.200  -4.348   3.950
  468   1HD1  ILE  56          1HD1      ILE  56 -13.217  -2.184   0.974
  469   2HD1  ILE  56          2HD1      ILE  56 -11.501  -1.775   1.007
  470   3HD1  ILE  56          3HD1      ILE  56 -12.702  -0.519   0.707
  471    HA   PRO  57           HA       PRO  57 -11.382  -4.703   8.245
  472   1HB   PRO  57          1HB       PRO  57 -14.149  -5.711   8.416
  473   2HB   PRO  57          2HB       PRO  57 -13.098  -5.121   9.704
  474   1HG   PRO  57          1HG       PRO  57 -15.190  -3.693   8.856
  475   2HG   PRO  57          2HG       PRO  57 -13.671  -2.910   9.335
  476   1HD   PRO  57          1HD       PRO  57 -14.724  -3.496   6.595
  477   2HD   PRO  57          2HD       PRO  57 -13.917  -2.037   7.220
  478    HA   PRO  58           HA       PRO  58 -11.747  -8.132   5.285
  479   1HB   PRO  58          1HB       PRO  58  -9.165  -8.463   4.829
  480   2HB   PRO  58          2HB       PRO  58 -10.008  -7.041   4.201
  481   1HG   PRO  58          1HG       PRO  58  -8.012  -7.208   6.375
  482   2HG   PRO  58          2HG       PRO  58  -8.515  -5.805   5.421
  483   1HD   PRO  58          1HD       PRO  58  -9.452  -6.652   8.058
  484   2HD   PRO  58          2HD       PRO  58  -9.759  -5.131   7.188
  485    H    VAL  59           H        VAL  59 -10.381 -10.224   5.209
  486    HA   VAL  59           HA       VAL  59 -10.418 -11.543   7.752
  487    HB   VAL  59           HB       VAL  59  -9.431 -12.504   5.031
  488   1HG1  VAL  59          1HG1      VAL  59  -8.545 -13.851   6.851
  489   2HG1  VAL  59          2HG1      VAL  59  -9.734 -14.767   5.924
  490   3HG1  VAL  59          3HG1      VAL  59 -10.173 -14.081   7.489
  491   1HG2  VAL  59          1HG2      VAL  59 -11.600 -13.612   4.804
  492   2HG2  VAL  59          2HG2      VAL  59 -11.793 -11.864   4.968
  493   3HG2  VAL  59          3HG2      VAL  59 -12.115 -12.919   6.340
  494    HA   PRO  60           HA       PRO  60  -6.163 -10.061   8.024
  495   1HB   PRO  60          1HB       PRO  60  -5.984 -10.719  10.784
  496   2HB   PRO  60          2HB       PRO  60  -6.321  -9.138  10.077
  497   1HG   PRO  60          1HG       PRO  60  -8.141 -10.642  11.551
  498   2HG   PRO  60          2HG       PRO  60  -8.561  -9.331  10.440
  499   1HD   PRO  60          1HD       PRO  60  -8.614 -12.293   9.980
  500   2HD   PRO  60          2HD       PRO  60  -9.746 -11.035   9.436
  501    H    ILE  61           H        ILE  61  -5.373 -11.804   6.739
  502    HA   ILE  61           HA       ILE  61  -3.771 -13.655   8.310
  503    HB   ILE  61           HB       ILE  61  -5.297 -14.277   5.733
  504   1HG1  ILE  61          1HG1      ILE  61  -5.520 -15.550   8.471
  505   2HG1  ILE  61          2HG1      ILE  61  -6.674 -14.420   7.779
  506   1HG2  ILE  61          1HG2      ILE  61  -4.326 -16.540   5.840
  507   2HG2  ILE  61          2HG2      ILE  61  -3.330 -16.034   7.204
  508   3HG2  ILE  61          3HG2      ILE  61  -3.092 -15.299   5.622
  509   1HD1  ILE  61          1HD1      ILE  61  -7.478 -16.702   7.633
  510   2HD1  ILE  61          2HD1      ILE  61  -6.026 -17.175   6.753
  511   3HD1  ILE  61          3HD1      ILE  61  -7.178 -16.058   6.017
  512    H    GLY  62           H        GLY  62  -1.650 -13.895   7.336
  513   1HA   GLY  62          1HA       GLY  62  -0.890 -13.215   4.826
  514   2HA   GLY  62          2HA       GLY  62  -0.968 -11.687   5.707
  515    H    ILE  63           H        ILE  63   1.385 -12.965   4.569
  516    HA   ILE  63           HA       ILE  63   2.959 -12.998   7.039
  517    HB   ILE  63           HB       ILE  63   3.511 -14.927   4.746
  518   1HG1  ILE  63          1HG1      ILE  63   3.085 -16.744   6.583
  519   2HG1  ILE  63          2HG1      ILE  63   2.166 -15.487   7.395
  520   1HG2  ILE  63          1HG2      ILE  63   4.817 -14.668   7.444
  521   2HG2  ILE  63          2HG2      ILE  63   5.512 -14.241   5.880
  522   3HG2  ILE  63          3HG2      ILE  63   5.168 -15.930   6.262
  523   1HD1  ILE  63          1HD1      ILE  63   0.681 -15.337   5.449
  524   2HD1  ILE  63          2HD1      ILE  63   0.717 -16.967   6.122
  525   3HD1  ILE  63          3HD1      ILE  63   1.611 -16.603   4.646
  526    H    ASP  64           H        ASP  64   4.817 -11.783   6.839
  527    HA   ASP  64           HA       ASP  64   5.352 -10.624   4.201
  528   1HB   ASP  64          1HB       ASP  64   6.068  -9.700   7.002
  529   2HB   ASP  64          2HB       ASP  64   6.851  -9.047   5.578
  530    H    GLU  65           H        GLU  65   6.806 -11.869   3.147
  531    HA   GLU  65           HA       GLU  65   8.676 -13.556   4.395
  532   1HB   GLU  65          1HB       GLU  65   8.312 -12.487   1.637
  533   2HB   GLU  65          2HB       GLU  65   9.840 -13.244   2.042
  534   1HG   GLU  65          1HG       GLU  65   8.183 -14.718   0.949
  535   2HG   GLU  65          2HG       GLU  65   8.794 -15.309   2.490
  536    H    GLU  66           H        GLU  66   9.115 -10.496   2.734
  537    HA   GLU  66           HA       GLU  66  11.051  -9.606   4.599
  538   1HB   GLU  66          1HB       GLU  66  12.066 -11.246   2.656
  539   2HB   GLU  66          2HB       GLU  66  12.110  -9.703   1.823
  540   1HG   GLU  66          1HG       GLU  66  13.487 -10.413   4.395
  541   2HG   GLU  66          2HG       GLU  66  14.229 -10.109   2.809
  542    H    ARG  67           H        ARG  67  11.801  -7.391   3.607
  543    HA   ARG  67           HA       ARG  67   9.441  -6.240   2.515
  544   1HB   ARG  67          1HB       ARG  67  10.574  -5.058   4.341
  545   2HB   ARG  67          2HB       ARG  67  12.018  -4.908   3.339
  546   1HG   ARG  67          1HG       ARG  67  10.594  -2.833   3.446
  547   2HG   ARG  67          2HG       ARG  67  10.935  -3.446   1.832
  548   1HD   ARG  67          1HD       ARG  67   8.597  -2.830   2.072
  549   2HD   ARG  67          2HD       ARG  67   8.883  -4.530   1.696
  550    HE   ARG  67           HE       ARG  67   8.387  -3.772   4.511
  551   1HH1  ARG  67          1HH1      ARG  67   7.244  -5.569   1.631
  552   2HH1  ARG  67          2HH1      ARG  67   6.152  -6.509   2.558
  553   1HH2  ARG  67          1HH2      ARG  67   6.923  -5.160   5.689
  554   2HH2  ARG  67          2HH2      ARG  67   6.000  -6.317   4.857
  555    H    SER  68           H        SER  68  12.670  -6.934   1.675
  556    HA   SER  68           HA       SER  68  12.354  -5.770  -0.945
  557   1HB   SER  68          1HB       SER  68  14.463  -5.460   0.298
  558   2HB   SER  68          2HB       SER  68  14.740  -7.197   0.308
  559    HG   SER  68           HG       SER  68  14.329  -5.733  -2.037
  560    H    THR  69           H        THR  69  10.696  -7.845  -0.178
  561    HA   THR  69           HA       THR  69  10.994  -9.670  -2.361
  562    HB   THR  69           HB       THR  69  10.716 -10.689   0.510
  563    HG1  THR  69           HG1      THR  69  12.898 -10.191  -1.044
  564   1HG2  THR  69          1HG2      THR  69   9.598 -12.133  -1.150
  565   2HG2  THR  69          2HG2      THR  69  11.008 -12.939  -0.467
  566   3HG2  THR  69          3HG2      THR  69  11.092 -12.233  -2.079
  567    H    VAL  70           H        VAL  70   8.812 -10.864  -2.444
  568    HA   VAL  70           HA       VAL  70   6.676  -9.013  -1.941
  569    HB   VAL  70           HB       VAL  70   5.208 -10.749  -2.817
  570   1HG1  VAL  70          1HG1      VAL  70   7.702 -10.485  -4.467
  571   2HG1  VAL  70          2HG1      VAL  70   6.421  -9.298  -4.324
  572   3HG1  VAL  70          3HG1      VAL  70   6.081 -10.868  -5.066
  573   1HG2  VAL  70          1HG2      VAL  70   6.283 -12.730  -1.866
  574   2HG2  VAL  70          2HG2      VAL  70   7.668 -12.507  -2.935
  575   3HG2  VAL  70          3HG2      VAL  70   6.089 -12.907  -3.610
  576    H    MET  71           H        MET  71   4.904  -9.418  -0.756
  577    HA   MET  71           HA       MET  71   5.296 -11.127   1.582
  578   1HB   MET  71          1HB       MET  71   4.038  -9.439   2.878
  579   2HB   MET  71          2HB       MET  71   5.492  -8.729   2.195
  580   1HG   MET  71          1HG       MET  71   4.105  -7.765   0.376
  581   2HG   MET  71          2HG       MET  71   2.673  -8.400   1.177
  582   1HE   MET  71          1HE       MET  71   1.557  -5.983   1.253
  583   2HE   MET  71          2HE       MET  71   2.953  -5.372   0.374
  584   3HE   MET  71          3HE       MET  71   2.398  -4.546   1.832
  585    H    ILE  72           H        ILE  72   3.342 -12.197   2.184
  586    HA   ILE  72           HA       ILE  72   1.336 -11.928   0.107
  587    HB   ILE  72           HB       ILE  72   2.467 -13.990  -0.295
  588   1HG1  ILE  72          1HG1      ILE  72   0.611 -15.656  -0.120
  589   2HG1  ILE  72          2HG1      ILE  72  -0.242 -14.540   0.937
  590   1HG2  ILE  72          1HG2      ILE  72   1.909 -14.799   2.528
  591   2HG2  ILE  72          2HG2      ILE  72   3.477 -14.445   1.803
  592   3HG2  ILE  72          3HG2      ILE  72   2.559 -15.856   1.276
  593   1HD1  ILE  72          1HD1      ILE  72   0.502 -14.023  -1.936
  594   2HD1  ILE  72          2HD1      ILE  72  -0.380 -12.917  -0.880
  595   3HD1  ILE  72          3HD1      ILE  72  -1.097 -14.459  -1.339
  596    HA   PRO  73           HA       PRO  73  -0.998 -11.367   3.850
  597   1HB   PRO  73          1HB       PRO  73  -2.307  -9.101   2.808
  598   2HB   PRO  73          2HB       PRO  73  -0.956  -9.104   3.948
  599   1HG   PRO  73          1HG       PRO  73  -0.882  -8.155   1.290
  600   2HG   PRO  73          2HG       PRO  73   0.508  -8.440   2.346
  601   1HD   PRO  73          1HD       PRO  73  -0.627 -10.162   0.196
  602   2HD   PRO  73          2HD       PRO  73   1.060  -9.978   0.736
  603    H    TYR  74           H        TYR  74  -2.777 -12.646   3.936
  604    HA   TYR  74           HA       TYR  74  -4.274 -12.782   1.488
  605   1HB   TYR  74          1HB       TYR  74  -3.419 -14.991   2.338
  606   2HB   TYR  74          2HB       TYR  74  -4.481 -14.757   3.741
  607    HD1  TYR  74           HD1      TYR  74  -6.680 -15.563   3.659
  608    HD2  TYR  74           HD2      TYR  74  -4.618 -14.768   0.026
  609    HE1  TYR  74           HE1      TYR  74  -8.616 -16.379   2.377
  610    HE2  TYR  74           HE2      TYR  74  -6.537 -15.586  -1.254
  611    HH   TYR  74           HH       TYR  74  -8.421 -17.066  -0.928
  612    H    THR  75           H        THR  75  -5.398 -11.018   1.783
  613    HA   THR  75           HA       THR  75  -7.145 -11.070   4.058
  614    HB   THR  75           HB       THR  75  -7.230  -8.559   3.728
  615    HG1  THR  75           HG1      THR  75  -4.847  -8.303   2.602
  616   1HG2  THR  75          1HG2      THR  75  -5.071  -8.136   4.846
  617   2HG2  THR  75          2HG2      THR  75  -4.530  -9.753   4.398
  618   3HG2  THR  75          3HG2      THR  75  -5.874  -9.555   5.521
  619    H    LYS  76           H        LYS  76  -9.292 -10.307   3.558
  620    HA   LYS  76           HA       LYS  76  -9.892 -10.204   0.696
  621   1HB   LYS  76          1HB       LYS  76 -11.606 -11.461   2.853
  622   2HB   LYS  76          2HB       LYS  76 -12.177 -11.124   1.229
  623   1HG   LYS  76          1HG       LYS  76 -10.426 -12.644   0.351
  624   2HG   LYS  76          2HG       LYS  76  -9.987 -13.035   2.014
  625   1HD   LYS  76          1HD       LYS  76 -12.230 -13.891   2.429
  626   2HD   LYS  76          2HD       LYS  76 -12.721 -13.444   0.795
  627   1HE   LYS  76          1HE       LYS  76 -11.073 -14.996  -0.126
  628   2HE   LYS  76          2HE       LYS  76 -10.572 -15.436   1.502
  629   1HZ   LYS  76          1HZ       LYS  76 -12.805 -16.314   1.892
  630   2HZ   LYS  76          2HZ       LYS  76 -12.074 -17.059   0.582
  631   3HZ   LYS  76          3HZ       LYS  76 -13.258 -15.905   0.319
  632    HA   PRO  77           HA       PRO  77 -11.565  -6.359   2.377
  633   1HB   PRO  77          1HB       PRO  77 -10.156  -4.809   0.490
  634   2HB   PRO  77          2HB       PRO  77  -9.687  -5.065   2.170
  635   1HG   PRO  77          1HG       PRO  77  -8.284  -5.972  -0.095
  636   2HG   PRO  77          2HG       PRO  77  -8.019  -6.490   1.576
  637   1HD   PRO  77          1HD       PRO  77  -9.570  -7.815  -0.600
  638   2HD   PRO  77          2HD       PRO  77  -8.602  -8.538   0.707
  639    H    CYS  78           H        CYS  78 -12.535  -4.460   0.856
  640    HA   CYS  78           HA       CYS  78 -13.918  -5.900  -1.257
  641   1HB   CYS  78          1HB       CYS  78 -15.287  -4.733   0.458
  642   2HB   CYS  78          2HB       CYS  78 -14.580  -3.206  -0.034
  643    HG   CYS  78           HG       CYS  78 -16.114  -2.739  -2.048
  644    H    TYR  79           H        TYR  79 -11.314  -3.917  -0.870
  645    HA   TYR  79           HA       TYR  79 -11.561  -2.807  -3.560
  646   1HB   TYR  79          1HB       TYR  79 -10.922  -1.167  -1.796
  647   2HB   TYR  79          2HB       TYR  79  -9.530  -2.153  -1.380
  648    HD1  TYR  79           HD1      TYR  79 -11.010  -0.213  -4.210
  649    HD2  TYR  79           HD2      TYR  79  -7.454  -1.709  -2.412
  650    HE1  TYR  79           HE1      TYR  79  -9.658   1.085  -5.807
  651    HE2  TYR  79           HE2      TYR  79  -6.095  -0.415  -4.006
  652    HH   TYR  79           HH       TYR  79  -6.360   0.550  -6.261
  653    H    GLY  80           H        GLY  80  -8.573  -3.770  -1.837
  654   1HA   GLY  80          1HA       GLY  80  -8.281  -6.182  -3.211
  655   2HA   GLY  80          2HA       GLY  80  -7.399  -4.889  -4.015
  656    H    THR  81           H        THR  81  -6.074  -6.940  -3.013
  657    HA   THR  81           HA       THR  81  -4.935  -6.120  -0.476
  658    HB   THR  81           HB       THR  81  -4.472  -8.602  -2.130
  659    HG1  THR  81           HG1      THR  81  -5.952  -8.511   0.295
  660   1HG2  THR  81          1HG2      THR  81  -3.796  -7.983   0.754
  661   2HG2  THR  81          2HG2      THR  81  -2.642  -8.104  -0.574
  662   3HG2  THR  81          3HG2      THR  81  -3.531  -9.533  -0.043
  663    H    ALA  82           H        ALA  82  -2.756  -5.777  -0.306
  664    HA   ALA  82           HA       ALA  82  -1.539  -4.815  -2.766
  665   1HB   ALA  82          1HB       ALA  82  -1.195  -3.965   0.095
  666   2HB   ALA  82          2HB       ALA  82  -2.105  -3.110  -1.149
  667   3HB   ALA  82          3HB       ALA  82  -0.354  -3.281  -1.292
  668    H    VAL  83           H        VAL  83   0.236  -5.907  -3.382
  669    HA   VAL  83           HA       VAL  83   1.965  -7.161  -1.360
  670    HB   VAL  83           HB       VAL  83   1.593  -7.943  -4.283
  671   1HG1  VAL  83          1HG1      VAL  83   2.914  -9.922  -3.682
  672   2HG1  VAL  83          2HG1      VAL  83   3.050  -9.323  -2.032
  673   3HG1  VAL  83          3HG1      VAL  83   3.804  -8.433  -3.353
  674   1HG2  VAL  83          1HG2      VAL  83  -0.441  -8.521  -3.068
  675   2HG2  VAL  83          2HG2      VAL  83   0.511  -9.351  -1.839
  676   3HG2  VAL  83          3HG2      VAL  83   0.457  -9.982  -3.484
  677    H    VAL  84           H        VAL  84   3.979  -6.214  -1.376
  678    HA   VAL  84           HA       VAL  84   4.616  -4.594  -3.715
  679    HB   VAL  84           HB       VAL  84   5.406  -2.700  -2.360
  680   1HG1  VAL  84          1HG1      VAL  84   3.449  -1.918  -1.254
  681   2HG1  VAL  84          2HG1      VAL  84   2.734  -3.527  -1.376
  682   3HG1  VAL  84          3HG1      VAL  84   3.122  -2.619  -2.838
  683   1HG2  VAL  84          1HG2      VAL  84   6.379  -3.961  -0.473
  684   2HG2  VAL  84          2HG2      VAL  84   4.760  -4.352   0.099
  685   3HG2  VAL  84          3HG2      VAL  84   5.310  -2.676   0.092
  686    H    GLU  85           H        GLU  85   6.797  -4.587  -4.271
  687    HA   GLU  85           HA       GLU  85   8.532  -6.232  -2.578
  688   1HB   GLU  85          1HB       GLU  85   7.681  -7.508  -4.579
  689   2HB   GLU  85          2HB       GLU  85   8.491  -6.307  -5.592
  690   1HG   GLU  85          1HG       GLU  85  10.616  -6.915  -4.412
  691   2HG   GLU  85          2HG       GLU  85   9.732  -8.254  -3.684
  692    H    LEU  86           H        LEU  86  10.083  -4.891  -1.958
  693    HA   LEU  86           HA       LEU  86  10.764  -2.670  -3.701
  694   1HB   LEU  86          1HB       LEU  86  10.282  -2.336  -1.281
  695   2HB   LEU  86          2HB       LEU  86  11.673  -3.333  -0.900
  696    HG   LEU  86           HG       LEU  86  13.040  -1.631  -2.190
  697   1HD1  LEU  86          1HD1      LEU  86  10.558   0.017  -1.856
  698   2HD1  LEU  86          2HD1      LEU  86  11.299  -0.493  -3.374
  699   3HD1  LEU  86          3HD1      LEU  86  12.144   0.631  -2.316
  700   1HD2  LEU  86          1HD2      LEU  86  11.676  -0.805   0.363
  701   2HD2  LEU  86          2HD2      LEU  86  13.188  -0.141  -0.258
  702   3HD2  LEU  86          3HD2      LEU  86  13.103  -1.834   0.227
  703    HA   PRO  87           HA       PRO  87  14.326  -5.202  -4.833
  704   1HB   PRO  87          1HB       PRO  87  15.652  -3.439  -6.379
  705   2HB   PRO  87          2HB       PRO  87  14.156  -4.211  -6.917
  706   1HG   PRO  87          1HG       PRO  87  14.581  -1.474  -5.802
  707   2HG   PRO  87          2HG       PRO  87  13.541  -1.991  -7.142
  708   1HD   PRO  87          1HD       PRO  87  12.658  -1.481  -4.596
  709   2HD   PRO  87          2HD       PRO  87  11.831  -2.567  -5.731
  710    H    VAL  88           H        VAL  88  14.369  -2.481  -2.920
  711    HA   VAL  88           HA       VAL  88  17.255  -2.553  -2.397
  712    HB   VAL  88           HB       VAL  88  15.249  -0.568  -1.336
  713   1HG1  VAL  88          1HG1      VAL  88  17.175   0.920  -1.039
  714   2HG1  VAL  88          2HG1      VAL  88  18.236  -0.353  -1.642
  715   3HG1  VAL  88          3HG1      VAL  88  17.344  -0.588  -0.139
  716   1HG2  VAL  88          1HG2      VAL  88  16.856  -0.293  -3.875
  717   2HG2  VAL  88          2HG2      VAL  88  15.927   1.000  -3.119
  718   3HG2  VAL  88          3HG2      VAL  88  15.102  -0.426  -3.751
  719    H    ASP  89           H        ASP  89  17.846  -2.642  -0.168
  720    HA   ASP  89           HA       ASP  89  16.591  -4.621   1.340
  721   1HB   ASP  89          1HB       ASP  89  18.624  -2.530   2.132
  722   2HB   ASP  89          2HB       ASP  89  18.149  -3.849   3.195
  723    HA   PRO  90           HA       PRO  90  13.362  -2.765   3.694
  724   1HB   PRO  90          1HB       PRO  90  13.924  -3.633   6.283
  725   2HB   PRO  90          2HB       PRO  90  13.058  -4.566   5.064
  726   1HG   PRO  90          1HG       PRO  90  15.944  -4.648   5.822
  727   2HG   PRO  90          2HG       PRO  90  14.846  -5.988   5.436
  728   1HD   PRO  90          1HD       PRO  90  16.624  -5.143   3.653
  729   2HD   PRO  90          2HD       PRO  90  14.988  -5.606   3.147
  730    H    GLU  91           H        GLU  91  16.552  -1.917   4.317
  731    HA   GLU  91           HA       GLU  91  16.411  -0.129   6.500
  732   1HB   GLU  91          1HB       GLU  91  18.490   0.821   5.547
  733   2HB   GLU  91          2HB       GLU  91  18.533  -0.934   5.653
  734   1HG   GLU  91          1HG       GLU  91  17.956  -1.069   3.271
  735   2HG   GLU  91          2HG       GLU  91  17.984   0.684   3.178
  736    H    GLU  92           H        GLU  92  15.396   0.083   3.223
  737    HA   GLU  92           HA       GLU  92  15.312   2.864   2.781
  738   1HB   GLU  92          1HB       GLU  92  14.976   1.051   1.078
  739   2HB   GLU  92          2HB       GLU  92  13.404   0.741   1.789
  740   1HG   GLU  92          1HG       GLU  92  12.962   2.043  -0.100
  741   2HG   GLU  92          2HG       GLU  92  12.861   3.165   1.254
  742    H    ILE  93           H        ILE  93  13.287   0.689   4.597
  743    HA   ILE  93           HA       ILE  93  10.923   2.184   4.756
  744    HB   ILE  93           HB       ILE  93  12.085   0.310   6.835
  745   1HG1  ILE  93          1HG1      ILE  93  10.019  -0.247   4.695
  746   2HG1  ILE  93          2HG1      ILE  93  11.716  -0.714   4.596
  747   1HG2  ILE  93          1HG2      ILE  93   9.250   1.315   6.514
  748   2HG2  ILE  93          2HG2      ILE  93  10.360   1.738   7.816
  749   3HG2  ILE  93          3HG2      ILE  93   9.772   0.083   7.663
  750   1HD1  ILE  93          1HD1      ILE  93  10.262  -2.575   5.312
  751   2HD1  ILE  93          2HD1      ILE  93   9.793  -1.617   6.715
  752   3HD1  ILE  93          3HD1      ILE  93  11.463  -2.138   6.527
  753    H    GLU  94           H        GLU  94  13.892   2.339   6.645
  754    HA   GLU  94           HA       GLU  94  12.988   3.977   8.745
  755   1HB   GLU  94          1HB       GLU  94  15.726   4.008   7.491
  756   2HB   GLU  94          2HB       GLU  94  15.308   4.484   9.129
  757   1HG   GLU  94          1HG       GLU  94  14.696   2.176   9.640
  758   2HG   GLU  94          2HG       GLU  94  15.127   1.709   7.997
  759    H    ARG  95           H        ARG  95  14.412   4.746   5.646
  760    HA   ARG  95           HA       ARG  95  14.432   7.570   5.822
  761   1HB   ARG  95          1HB       ARG  95  15.723   6.273   4.224
  762   2HB   ARG  95          2HB       ARG  95  14.256   5.628   3.527
  763   1HG   ARG  95          1HG       ARG  95  13.690   7.955   2.792
  764   2HG   ARG  95          2HG       ARG  95  15.313   8.432   3.331
  765   1HD   ARG  95          1HD       ARG  95  16.296   6.734   1.899
  766   2HD   ARG  95          2HD       ARG  95  14.694   6.246   1.384
  767    HE   ARG  95           HE       ARG  95  15.292   8.996   0.850
  768   1HH1  ARG  95          1HH1      ARG  95  15.427   5.645  -0.343
  769   2HH1  ARG  95          2HH1      ARG  95  15.708   6.090  -1.959
  770   1HH2  ARG  95          1HH2      ARG  95  15.686   9.584  -1.399
  771   2HH2  ARG  95          2HH2      ARG  95  15.833   8.344  -2.566
  772    H    ILE  96           H        ILE  96  12.251   5.215   4.425
  773    HA   ILE  96           HA       ILE  96  10.334   6.979   3.406
  774    HB   ILE  96           HB       ILE  96  10.483   4.069   3.953
  775   1HG1  ILE  96          1HG1      ILE  96  11.746   4.839   2.072
  776   2HG1  ILE  96          2HG1      ILE  96  10.416   3.842   1.496
  777   1HG2  ILE  96          1HG2      ILE  96   8.366   3.622   2.803
  778   2HG2  ILE  96          2HG2      ILE  96   8.047   5.351   2.747
  779   3HG2  ILE  96          3HG2      ILE  96   8.132   4.522   4.303
  780   1HD1  ILE  96          1HD1      ILE  96  10.726   5.748   0.053
  781   2HD1  ILE  96          2HD1      ILE  96  10.589   6.857   1.408
  782   3HD1  ILE  96          3HD1      ILE  96   9.189   5.907   0.901
  783    H    LEU  97           H        LEU  97  10.720   5.612   6.585
  784    HA   LEU  97           HA       LEU  97   8.073   6.076   7.456
  785   1HB   LEU  97          1HB       LEU  97   9.643   4.493   8.534
  786   2HB   LEU  97          2HB       LEU  97  10.604   5.846   9.084
  787    HG   LEU  97           HG       LEU  97   8.759   6.586  10.527
  788   1HD1  LEU  97          1HD1      LEU  97   6.799   5.146  10.851
  789   2HD1  LEU  97          2HD1      LEU  97   7.337   4.119   9.522
  790   3HD1  LEU  97          3HD1      LEU  97   6.869   5.791   9.214
  791   1HD2  LEU  97          1HD2      LEU  97   9.468   3.676  10.857
  792   2HD2  LEU  97          2HD2      LEU  97   8.853   4.741  12.122
  793   3HD2  LEU  97          3HD2      LEU  97  10.435   5.045  11.402
  794    H    GLU  98           H        GLU  98  10.934   8.051   7.303
  795    HA   GLU  98           HA       GLU  98   9.851  10.211   8.886
  796   1HB   GLU  98          1HB       GLU  98  12.311   9.865   8.513
  797   2HB   GLU  98          2HB       GLU  98  12.035  10.234   6.817
  798   1HG   GLU  98          1HG       GLU  98  11.331  12.478   7.336
  799   2HG   GLU  98          2HG       GLU  98  11.464  12.159   9.061
  800    H    VAL  99           H        VAL  99  10.171   9.324   5.587
  801    HA   VAL  99           HA       VAL  99   8.998  11.693   4.476
  802    HB   VAL  99           HB       VAL  99   9.817   9.036   3.272
  803   1HG1  VAL  99          1HG1      VAL  99   9.897  10.226   1.083
  804   2HG1  VAL  99          2HG1      VAL  99   9.302  11.690   1.863
  805   3HG1  VAL  99          3HG1      VAL  99   8.263  10.271   1.752
  806   1HG2  VAL  99          1HG2      VAL  99  11.662  10.185   4.289
  807   2HG2  VAL  99          2HG2      VAL  99  11.293  11.648   3.368
  808   3HG2  VAL  99          3HG2      VAL  99  11.823  10.186   2.534
  809    H    ALA 100           H        ALA 100   7.640   9.365   6.207
  810    HA   ALA 100           HA       ALA 100   5.519   8.171   4.847
  811   1HB   ALA 100          1HB       ALA 100   5.528   9.097   7.708
  812   2HB   ALA 100          2HB       ALA 100   6.186   7.568   7.127
  813   3HB   ALA 100          3HB       ALA 100   4.455   7.890   7.001
  814    H    GLU 101           H        GLU 101   5.676  11.251   6.447
  815    HA   GLU 101           HA       GLU 101   3.208  11.928   5.122
  816   1HB   GLU 101          1HB       GLU 101   3.989  12.581   7.958
  817   2HB   GLU 101          2HB       GLU 101   2.644  13.328   7.120
  818   1HG   GLU 101          1HG       GLU 101   1.561  11.149   6.920
  819   2HG   GLU 101          2HG       GLU 101   2.930  10.397   7.743
  820    HA   PRO 102           HA       PRO 102   6.336  15.100   4.112
  821   1HB   PRO 102          1HB       PRO 102   4.716  15.343   1.663
  822   2HB   PRO 102          2HB       PRO 102   6.430  14.929   1.823
  823   1HG   PRO 102          1HG       PRO 102   4.668  13.042   1.070
  824   2HG   PRO 102          2HG       PRO 102   5.989  12.673   2.204
  825   1HD   PRO 102          1HD       PRO 102   3.144  13.355   2.835
  826   2HD   PRO 102          2HD       PRO 102   4.112  11.946   3.349